A0A087XCY1_POEFO Loading...

Poly [ADP-ribose] polymerase

AlphaFold DB , UniProt , Accession A0A087XCY1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 650 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.3	Very low	29.2	Very low	243 Å²	243	189.3 Å²	189.3	100%	1.197	91%	0.907	S	S	*	*				0	134	0	-89.5	-180	173	0	0	108.9
2	R	30.5	Very low	29.4	Very low	247 Å²	247	190 Å²	190	93%	0.932	91%	0.908	S	S	*	*			trans	68.4	122.5	175.6	-74.3	-180	171.2	175.3	-2.2	118
3	R	32.1	Very low	29.3	Very low	248 Å²	248	183.9 Å²	183.9	94%	0.936	90%	0.898	S	S	*	*			trans	49.2	105.6	155.8	-73.8	-176.8	172.4	173.8	-2.4	117.8
4	T	27.2	Very low	29.3	Very low	151 Å²	151	177.7 Å²	177.7	93%	0.926	89%	0.891	S	S	*	*			trans	-105.7	142.9	156.8	39.5	0	0	0	0	110.8
5	R	28.5	Very low	29.4	Very low	245 Å²	245	174.4 Å²	174.4	93%	0.925	88%	0.884	S	S	*	*			trans	-107	164.5	-179.1	-131	-178.5	179.9	-180	-1.2	108.6
6	S	25.1	Very low	29.5	Very low	120 Å²	120	174.5 Å²	174.5	84%	0.839	88%	0.88	S	S	*	*			trans	88.1	141.3	167.6	-143	0	0	0	0	114.6
7	S	26.3	Very low	29.7	Very low	108 Å²	108	173.1 Å²	173.1	76%	0.755	88%	0.875	S	S	*	*			cis	-163.3	158.7	27.2	170.4	0	0	0	0	110.3
8	R	31.4	Very low	30.1	Very low	233 Å²	233	173.7 Å²	173.7	88%	0.879	87%	0.874	S	S	*	*			trans	-54.7	146	169	-82.4	172.2	164.3	163.8	-5.6	113.6
9	N	26.5	Very low	30.7	Very low	167 Å²	167	174.4 Å²	174.4	89%	0.893	87%	0.874	S	S	*	*				-157.5	145.1	126.5	-122	-3.2	0	0	0	113.2
10	K	29.4	Very low	31.3	Very low	206 Å²	206	171 Å²	171	90%	0.896	86%	0.863	S	S	*	*			trans	-66.6	142.4	178.8	-83.6	174.3	168.4	178.3	0	112
11	S	26.5	Very low	32	Very low	114 Å²	114	167 Å²	167	80%	0.797	85%	0.849	S	S	*	*			trans	-139.1	117.3	147.2	48.2	0	0	0	0	108.6
12	Q	31.8	Very low	32.9	Very low	198 Å²	198	159.8 Å²	159.8	93%	0.925	82%	0.818	S	S	*	*			trans	-63.2	128.6	166.8	-77	163.9	-52.9	0	0	108.4
13	S	28.6	Very low	34.9	Very low	111 Å²	111	153.8 Å²	153.8	78%	0.776	80%	0.799	S	S	*	*			trans	-124.4	121.4	159.6	53.8	0	0	0	0	107.3
14	A	28.9	Very low	37.2	Very low	97 Å²	97	144.1 Å²	144.1	80%	0.802	77%	0.768	S	S	*	*			trans	-54.9	134.4	179.1	0	0	0	0	0	110.7	E16	A14-E16 PolarHBondContact O-N 3.49Å
15	V	30.3	Very low	40.1	Very low	128 Å²	128	139 Å²	139	78%	0.776	74%	0.736	S	S	*	*			trans	-80.3	107	161.7	178.1	0	0	0	0	105	N17	V15-N17 PolarHBondContact O-N 3.02Å
16	E	31.9	Very low	43.1	Very low	176 Å²	176	127.6 Å²	127.6	82%	0.822	69%	0.693	S	S	*	*			trans	-60.8	118.9	161.1	-75.9	174.6	155.7	0	0	106.9	A14 E18	A14-E16 PolarHBondContact O-N 3.49Å; E16-E18 PolarHBondContact O-N 3.12Å; E16-E18 VanDerWaalsContact O-N 3.09Å
17	N	33	Very low	46.3	Very low	150 Å²	150	123.2 Å²	123.2	80%	0.802	66%	0.66	S	S	*	*			trans	-65.9	104	165.8	-83.2	-20.2	0	0	0	106.9	V15 E19	V15-N17 PolarHBondContact O-N 3.02Å; N17-E19 PolarHBondContact O-N 2.72Å; N17-E19 VanDerWaalsContact O-N 3.11Å
18	E	37.2	Very low	49.4	Very low	184 Å²	184	120 Å²	120	86%	0.86	63%	0.631	S	S	*	*			trans	-64.4	107.1	160.6	-78.7	-172.6	153.4	0	0	107.6	E16 V20	E16-E18 PolarHBondContact O-N 3.12Å; E16-E18 VanDerWaalsContact O-N 3.09Å; E18-V20 PolarHBondContact O-N 2.82Å; E18-V20 VanDerWaalsContact O-N 3.11Å
19	E	39.9	Very low	52.4	Low	187 Å²	187	111.5 Å²	111.5	87%	0.874	60%	0.601	S	S	*	*			trans	-63	108.3	167.3	-79.3	-177.3	157.2	0	0	108.5	N17	N17-E19 PolarHBondContact O-N 2.72Å; N17-E19 VanDerWaalsContact O-N 3.11Å
20	V	43.7	Very low	55.1	Low	106 Å²	106	104 Å²	104	64%	0.642	56%	0.563	S	S	*	*			trans	-61.1	124.8	171.5	-176.3	0	0	0	0	108.3	E18 T22	E18-V20 PolarHBondContact O-N 2.82Å; E18-V20 VanDerWaalsContact O-N 3.11Å; V20-T22 PolarHBondContact O-N 2.93Å; V20-T22 VanDerWaalsContact O-N 3.11Å
21	P	47	Very low	57.4	Low	87 Å²	87	99 Å²	99	57%	0.565	55%	0.546	S	S	*	.			trans	-67.1	114.1	-177	24.9	-31.2	0	0	0	110.4
22	T	54.4	Low	59.6	Low	92 Å²	92	98.9 Å²	98.9	56%	0.564	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-81.1	122.9	172.7	54	0	0	0	0	109.9	V20 I91	V20-T22 PolarHBondContact O-N 2.93Å; V20-T22 VanDerWaalsContact O-N 3.11Å; T22-I91 HydrophobicContact CG2-CG2 4.06Å
23	K	72.3	Confident	61.9	Low	121 Å²	121	91.1 Å²	91.1	53%	0.526	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.6	177.9	-168.5	175.7	179	-176.5	0	110.5	V92	K23-V92 PolarHBondContact N-O 2.97Å; K23-V92 PolarHBondContact O-N 2.84Å
24	T	80.6	Confident	64.7	Low	45 Å²	45	91.8 Å²	91.8	28%	0.276	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	127.1	171.2	-55.2	0	0	0	0	109.3	D47 Q90	T24-D47 WeakPolarHBondContact CG2-OD1 3.35Å; T24-Q90 CarbonylContact C-O 3.28Å; T24-Q90 WeakPolarHBondContact CA-O 3.38Å
25	V	89.2	Confident	67.5	Low	43 Å²	43	90.5 Å²	90.5	26%	0.261	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	122.9	176.1	-177.3	0	0	0	0	108.8	Q27 S89 Q90 V92	V25-Q27 HydrophobicContact CG1-CG 4.17Å; V25-S89 WeakPolarHBondContact O-CA 3.42Å; V25-Q90 PolarHBondContact N-O 2.91Å; V25-Q90 PolarHBondContact O-N 3Å; V25-V92 HydrophobicContact CB-CG2 4.34Å; V25-V92 HydrophobicContact CG2-CB 4.41Å; V25-V92 HydrophobicContact CG2-CG2 3.85Å
26	W	90.4	Very high	70.3	Confident	6 Å²	6	88.5 Å²	88.5	2%	0.023	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	134.7	174.3	-71.6	88.6	0	0	0	110.6	Y38 A43 L46 D47 L71 M74 I87 R88	W26-Y38 HydrophobicContact CB-CD2 3.73Å; W26-Y38 HydrophobicContact CB-CG 4.42Å; W26-Y38 PolarHBondContact O-N 3.16Å; W26-A43 HydrophobicContact CB-CB 4.38Å; W26-L46 HydrophobicContact CB-CD1 3.88Å; W26-L46 HydrophobicContact CD2-CB 3.77Å; W26-L46 HydrophobicContact CD2-CD1 4.05Å; W26-L46 HydrophobicContact CD2-CG 4.47Å; W26-L46 HydrophobicContact CE3-CB 4.34Å; W26-L46 HydrophobicContact CE3-CD1 4.2Å; W26-L46 HydrophobicContact CG-CB 3.91Å; W26-L46 HydrophobicContact CG-CD1 3.91Å; W26-L46 HydrophobicContact CZ2-CB 4.32Å; W26-D47 VanDerWaalsContact NE1-CG 3.31Å; W26-D47 PolarHBondContact NE1-OD1 3.06Å; W26-L71 HydrophobicContact CH2-CD2 3.99Å; W26-L71 HydrophobicContact CZ3-CD2 4.1Å; W26-M74 HydrophobicContact CH2-CE 4.33Å; W26-M74 HydrophobicContact CZ3-CE 3.66Å; W26-M74 HydrophobicContact CZ3-SD 4.32Å; W26-I87 HydrophobicContact CE3-CD1 4.23Å; W26-I87 HydrophobicContact CZ3-CD1 4.01Å; W26-R88 WeakPolarHBondContact CA-O 3.21Å
27	Q	93.9	Very high	73.1	Confident	29 Å²	29	84 Å²	84	14%	0.136	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	154.6	179.1	-57.8	-179.5	-52.7	0	0	111.2	V25 W35 E36 I87 R88	V25-Q27 HydrophobicContact CG1-CG 4.17Å; Q27-W35 HydrophobicContact CB-CB 4.28Å; Q27-W35 HydrophobicContact CB-CE3 4.06Å; Q27-E36 CarbonylContact C-O 3.54Å; Q27-E36 WeakPolarHBondContact CA-O 3.35Å; Q27-E36 WeakPolarHBondContact CB-O 3.34Å; Q27-I87 CarbonylContact O-C 3.57Å; Q27-I87 VanDerWaalsContact O-CA 3.25Å; Q27-I87 WeakPolarHBondContact O-CA 3.33Å; Q27-R88 HydrophobicContact CB-CG 4.14Å; Q27-R88 PolarHBondContact N-O 3.44Å; Q27-R88 PolarHBondContact O-N 2.94Å; Q27-R88 VanDerWaalsContact OE1-CZ 3.24Å
28	W	91.4	Very high	75.9	Confident	40 Å²	40	77.3 Å²	77.3	15%	0.152	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150.9	172.7	62.2	-81.5	0	0	0	110.5	E36 Y38 K86 I87	W28-E36 VanDerWaalsContact CD1-O 3.31Å; W28-E36 HydrophobicContact CD2-CB 4.4Å; W28-E36 HydrophobicContact CZ2-CB 3.94Å; W28-E36 HydrophobicContact CZ2-CG 4.34Å; W28-E36 WeakPolarHBondContact CZ2-OE2 3.26Å; W28-E36 PolarHBondContact N-O 3.26Å; W28-E36 PolarHBondContact O-N 3Å; W28-Y38 HydrophobicContact CB-CE2 3.73Å; W28-Y38 AromaticContact CD1-CE1 3.98Å; W28-Y38 AromaticContact CD1-CE2 3.97Å; W28-Y38 AromaticContact CD1-CZ 3.91Å; W28-Y38 HydrophobicContact CG-CE1 4.46Å; W28-Y38 HydrophobicContact CG-CE2 4.23Å; W28-K86 WeakPolarHBondContact CA-O 3.4Å; W28-I87 HydrophobicContact CB-CG2 3.98Å
29	Q	93.6	Very high	78.4	Confident	55 Å²	55	72 Å²	72	26%	0.257	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	119.3	-176.7	-163.9	173.9	29.3	0	0	111.2	G33 Q34 W35 K86	Q29-G33 PolarHBondContact NE2-O 2.67Å; Q29-G33 VanDerWaalsContact NE2-O 3.14Å; Q29-Q34 CarbonylContact C-O 3.33Å; Q29-Q34 WeakPolarHBondContact CA-O 3.34Å; Q29-W35 HydrophobicContact CB-CD2 4.29Å; Q29-W35 HydrophobicContact CB-CE3 4.05Å; Q29-W35 HydrophobicContact CB-CH2 4.06Å; Q29-W35 HydrophobicContact CB-CZ2 4.26Å; Q29-W35 HydrophobicContact CB-CZ3 3.93Å; Q29-W35 HydrophobicContact CG-CZ2 4.44Å; Q29-K86 HydrophobicContact CB-CB 4.22Å; Q29-K86 PolarHBondContact N-O 3Å
30	G	83.9	Confident	80.5	Confident	8 Å²	8	68.7 Å²	68.7	8%	0.082	38%	0.376	C	S	.	.			trans	-56.6	159.2	169.8	0	0	0	0	0	113.4	D32 G33 Q34	G30-D32 PolarHBondContact O-N 3Å; G30-G33 PolarHBondContact O-N 3.3Å; G30-Q34 PolarHBondContact N-O 3.48Å
31	D	76.4	Confident	82.5	Confident	102 Å²	102	71.1 Å²	71.1	55%	0.545	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-8.7	175.3	-61.7	-37.9	0	0	0	112.6	Y83 R85	D31-Y83 PolarHBondContact OD1-OH 2.85Å; D31-R85 IonicContact OD1-CZ 2.71Å; D31-R85 VanDerWaalsContact OD1-CZ 3.25Å; D31-R85 IonicContact OD1-NE 4Å; D31-R85 IonicContact OD1-NH2 3.79Å; D31-R85 PolarHBondContact OD1-NH2 3.25Å; D31-R85 IonicContact OD2-CZ 3.25Å; D31-R85 IonicContact OD2-NH1 3.5Å; D31-R85 IonicContact OD2-NH2 2.8Å; D31-R85 PolarHBondContact OD2-NH2 3.18Å
32	D	72.9	Confident	84.5	Confident	112 Å²	112	67.1 Å²	67.1	60%	0.599	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	0.4	171.2	63.8	-11	0	0	0	112.9	G30 Q34	G30-D32 PolarHBondContact O-N 3Å; D32-Q34 VanDerWaalsContact C-N 3.31Å; D32-Q34 WeakPolarHBondContact OD1-CB 3.17Å; D32-Q34 PolarHBondContact OD1-N 3.2Å; D32-Q34 WeakPolarHBondContact OD2-CG 3.42Å
33	G	79.4	Confident	86.2	Confident	34 Å²	34	63.3 Å²	63.3	35%	0.351	33%	0.332	S	S	.	.	S	Bend	trans	85	-6	-178.9	0	0	0	0	0	114.9	Q29 G30	Q29-G33 PolarHBondContact NE2-O 2.67Å; Q29-G33 VanDerWaalsContact NE2-O 3.14Å; G30-G33 PolarHBondContact O-N 3.3Å
34	Q	87.6	Confident	86.9	Confident	126 Å²	126	61.2 Å²	61.2	59%	0.589	33%	0.333	S	S	*	.			trans	-73.6	153.1	178	-64.8	-65.4	-20.3	0	0	111.4	Q29 G30 D32	Q29-Q34 CarbonylContact C-O 3.33Å; Q29-Q34 WeakPolarHBondContact CA-O 3.34Å; G30-Q34 PolarHBondContact N-O 3.48Å; D32-Q34 VanDerWaalsContact C-N 3.31Å; D32-Q34 WeakPolarHBondContact OD1-CB 3.17Å; D32-Q34 PolarHBondContact OD1-N 3.2Å; D32-Q34 WeakPolarHBondContact OD2-CG 3.42Å
35	W	88.6	Confident	87.3	Confident	69 Å²	69	63.1 Å²	63.1	26%	0.261	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	115	178.1	-71.4	94.4	0	0	0	110.5	Q27 Q29 K86 R88	Q27-W35 HydrophobicContact CB-CB 4.28Å; Q27-W35 HydrophobicContact CB-CE3 4.06Å; Q29-W35 HydrophobicContact CB-CD2 4.29Å; Q29-W35 HydrophobicContact CB-CE3 4.05Å; Q29-W35 HydrophobicContact CB-CH2 4.06Å; Q29-W35 HydrophobicContact CB-CZ2 4.26Å; Q29-W35 HydrophobicContact CB-CZ3 3.93Å; Q29-W35 HydrophobicContact CG-CZ2 4.44Å; W35-K86 HydrophobicContact CH2-CB 3.89Å; W35-R88 VanDerWaalsContact CD1-CZ 3.41Å; W35-R88 HydrophobicContact CD2-CG 4.15Å; W35-R88 HydrophobicContact CE3-CB 4.46Å; W35-R88 HydrophobicContact CE3-CG 3.65Å; W35-R88 HydrophobicContact CH2-CB 4.03Å; W35-R88 HydrophobicContact CH2-CG 4.03Å; W35-R88 HydrophobicContact CZ3-CB 3.9Å; W35-R88 HydrophobicContact CZ3-CG 3.59Å
36	E	89.3	Confident	87.3	Confident	86 Å²	86	61 Å²	61	40%	0.402	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	137.2	179.6	-67.8	-173.3	-154.5	0	0	110.8	Q27 W28	Q27-E36 CarbonylContact C-O 3.54Å; Q27-E36 WeakPolarHBondContact CA-O 3.35Å; Q27-E36 WeakPolarHBondContact CB-O 3.34Å; W28-E36 VanDerWaalsContact CD1-O 3.31Å; W28-E36 HydrophobicContact CD2-CB 4.4Å; W28-E36 HydrophobicContact CZ2-CB 3.94Å; W28-E36 HydrophobicContact CZ2-CG 4.34Å; W28-E36 WeakPolarHBondContact CZ2-OE2 3.26Å; W28-E36 PolarHBondContact N-O 3.26Å; W28-E36 PolarHBondContact O-N 3Å
37	P	91.3	Very high	87.3	Confident	82 Å²	82	63 Å²	63	53%	0.532	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	145.8	177.6	29	-33.4	0	0	0	112.1
38	Y	91.1	Very high	87	Confident	10 Å²	10	65.2 Å²	65.2	4%	0.039	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-70.4	145.9	165.2	-82.6	-79.1	0	0	0	110.5	W26 W28 A42 L46 L59 L61 Q76 I87	W26-Y38 HydrophobicContact CB-CD2 3.73Å; W26-Y38 HydrophobicContact CB-CG 4.42Å; W26-Y38 PolarHBondContact O-N 3.16Å; W28-Y38 HydrophobicContact CB-CE2 3.73Å; W28-Y38 AromaticContact CD1-CE1 3.98Å; W28-Y38 AromaticContact CD1-CE2 3.97Å; W28-Y38 AromaticContact CD1-CZ 3.91Å; W28-Y38 HydrophobicContact CG-CE1 4.46Å; W28-Y38 HydrophobicContact CG-CE2 4.23Å; Y38-A42 HydrophobicContact CD1-CB 4.04Å; Y38-L46 HydrophobicContact CD1-CD1 4.32Å; Y38-L46 HydrophobicContact CD2-CD1 3.75Å; Y38-L46 HydrophobicContact CE1-CD1 4.43Å; Y38-L46 HydrophobicContact CE2-CD1 3.87Å; Y38-L46 HydrophobicContact CG-CD1 3.97Å; Y38-L59 HydrophobicContact CD1-CD1 4.22Å; Y38-L59 HydrophobicContact CE1-CD1 3.82Å; Y38-L61 HydrophobicContact CD1-CD1 4.25Å; Y38-L61 HydrophobicContact CD1-CD2 4.16Å; Y38-L61 HydrophobicContact CE1-CD1 3.76Å; Y38-L61 HydrophobicContact CE1-CD2 4.46Å; Y38-Q76 VanDerWaalsContact CE1-OE1 3.23Å; Y38-Q76 PolarHBondContact OH-OE1 3.14Å; Y38-I87 HydrophobicContact CE2-CB 4.32Å; Y38-I87 HydrophobicContact CE2-CG2 3.99Å; Y38-I87 WeakPolarHBondContact OH-CG2 3.34Å
39	P	88.7	Confident	86.9	Confident	71 Å²	71	63.4 Å²	63.4	46%	0.461	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-56	147.6	167.4	-22.7	32.8	0	0	0	111.3	E41 A42 A43 L61	P39-E41 PolarHBondContact O-N 2.8Å; P39-E41 VanDerWaalsContact O-N 3.09Å; P39-A42 WeakPolarHBondContact O-CA 3.41Å; P39-A42 WeakPolarHBondContact O-CB 3.33Å; P39-A42 PolarHBondContact O-N 2.79Å; P39-A43 PolarHBondContact O-N 2.83Å; P39-L61 HydrophobicContact CG-CD2 4.42Å
40	D	84.6	Confident	86.5	Confident	118 Å²	118	63.7 Å²	63.7	63%	0.631	36%	0.359	S	S	*	.	H	α-helix	trans	-52.9	-37.9	-172.8	-71	-43.2	0	0	0	113.7	A43 S44	D40-A43 PolarHBondContact O-N 3.13Å; D40-S44 WeakPolarHBondContact O-CB 3.37Å; D40-S44 PolarHBondContact O-N 2.82Å; D40-S44 PolarHBondContact O-OG 2.71Å
41	E	85.5	Confident	86.5	Confident	157 Å²	157	68.5 Å²	68.5	73%	0.734	39%	0.391	S	S	*	.	H	α-helix	trans	-64.3	-40.8	177.4	-64.9	158.9	179.1	0	0	112.2	P39 M45	P39-E41 PolarHBondContact O-N 2.8Å; P39-E41 VanDerWaalsContact O-N 3.09Å; E41-M45 WeakPolarHBondContact O-CE 3.41Å; E41-M45 PolarHBondContact O-N 3.49Å
42	A	89.9	Confident	86.9	Confident	3 Å²	3	66.9 Å²	66.9	3%	0.025	39%	0.388	C	S	.	.	H	α-helix	trans	-74.5	-40.6	177.6	0	0	0	0	0	111.6	Y38 P39 S44 M45 L46 L59 L61	Y38-A42 HydrophobicContact CD1-CB 4.04Å; P39-A42 WeakPolarHBondContact O-CA 3.41Å; P39-A42 WeakPolarHBondContact O-CB 3.33Å; P39-A42 PolarHBondContact O-N 2.79Å; A42-S44 VanDerWaalsContact C-N 3.35Å; A42-M45 PolarHBondContact O-N 3.42Å; A42-L46 WeakPolarHBondContact O-CG 3.38Å; A42-L46 PolarHBondContact O-N 2.77Å; A42-L59 HydrophobicContact CB-CD1 4.27Å; A42-L59 HydrophobicContact CB-CD2 4.35Å; A42-L61 HydrophobicContact CB-CD2 3.61Å
43	A	89.6	Confident	87.3	Confident	12 Å²	12	64.4 Å²	64.4	10%	0.099	39%	0.389	C	S	.	.	H	α-helix	trans	-60.1	-44.1	173.6	0	0	0	0	0	111.4	W26 P39 D40 M45 L46 D47	W26-A43 HydrophobicContact CB-CB 4.38Å; P39-A43 PolarHBondContact O-N 2.83Å; D40-A43 PolarHBondContact O-N 3.13Å; A43-M45 VanDerWaalsContact C-N 3.32Å; A43-M45 PolarHBondContact O-N 3.13Å; A43-L46 WeakPolarHBondContact O-CB 3.45Å; A43-L46 PolarHBondContact O-N 3.3Å; A43-L46 VanDerWaalsContact O-N 3.1Å; A43-D47 PolarHBondContact O-N 3.06Å
44	S	86.7	Confident	87.7	Confident	77 Å²	77	68.8 Å²	68.8	54%	0.538	40%	0.398	S	S	.	.	H	α-helix	trans	-61.2	-39	176.4	-60.2	0	0	0	0	112.7	D40 A42 S48	D40-S44 WeakPolarHBondContact O-CB 3.37Å; D40-S44 PolarHBondContact O-N 2.82Å; D40-S44 PolarHBondContact O-OG 2.71Å; A42-S44 VanDerWaalsContact C-N 3.35Å; S44-S48 WeakPolarHBondContact O-CB 3.38Å; S44-S48 PolarHBondContact O-N 3.36Å
45	M	88.6	Confident	87.6	Confident	85 Å²	85	66 Å²	66	42%	0.419	39%	0.39	S	S	.	.	H	α-helix	trans	-66.9	-37.5	174.3	-78.5	-172.6	-88	0	0	112.5	E41 A42 A43 A49 L59	E41-M45 WeakPolarHBondContact O-CE 3.41Å; E41-M45 PolarHBondContact O-N 3.49Å; A42-M45 PolarHBondContact O-N 3.42Å; A43-M45 VanDerWaalsContact C-N 3.32Å; A43-M45 PolarHBondContact O-N 3.13Å; M45-A49 VanDerWaalsContact O-CB 3.23Å; M45-A49 WeakPolarHBondContact O-CB 3.45Å; M45-A49 PolarHBondContact O-N 3.37Å; M45-L59 HydrophobicContact CB-CD2 3.9Å; M45-L59 HydrophobicContact CE-CD2 4.29Å; M45-L59 HydrophobicContact SD-CD2 4.35Å
46	L	90.9	Very high	87.7	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-68.6	-42.8	176.3	-71.6	166.5	0	0	0	111.6	W26 Y38 A42 A43 A49 S50 V57 L59 V69 L71	W26-L46 HydrophobicContact CB-CD1 3.88Å; W26-L46 HydrophobicContact CD2-CB 3.77Å; W26-L46 HydrophobicContact CD2-CD1 4.05Å; W26-L46 HydrophobicContact CD2-CG 4.47Å; W26-L46 HydrophobicContact CE3-CB 4.34Å; W26-L46 HydrophobicContact CE3-CD1 4.2Å; W26-L46 HydrophobicContact CG-CB 3.91Å; W26-L46 HydrophobicContact CG-CD1 3.91Å; W26-L46 HydrophobicContact CZ2-CB 4.32Å; Y38-L46 HydrophobicContact CD1-CD1 4.32Å; Y38-L46 HydrophobicContact CD2-CD1 3.75Å; Y38-L46 HydrophobicContact CE1-CD1 4.43Å; Y38-L46 HydrophobicContact CE2-CD1 3.87Å; Y38-L46 HydrophobicContact CG-CD1 3.97Å; A42-L46 WeakPolarHBondContact O-CG 3.38Å; A42-L46 PolarHBondContact O-N 2.77Å; A43-L46 WeakPolarHBondContact O-CB 3.45Å; A43-L46 PolarHBondContact O-N 3.3Å; A43-L46 VanDerWaalsContact O-N 3.1Å; L46-A49 PolarHBondContact O-N 2.88Å; L46-S50 VanDerWaalsContact O-CB 3.23Å; L46-S50 WeakPolarHBondContact O-CB 3.4Å; L46-S50 PolarHBondContact O-N 3.37Å; L46-V57 HydrophobicContact CD2-CG1 3.58Å; L46-L59 HydrophobicContact CD1-CD1 3.98Å; L46-L59 HydrophobicContact CD2-CD1 4.14Å; L46-L59 HydrophobicContact CG-CD1 4.05Å; L46-L59 HydrophobicContact CG-CD2 4.43Å; L46-V69 HydrophobicContact CD2-CB 4.21Å; L46-V69 HydrophobicContact CD2-CG1 3.75Å; L46-V69 HydrophobicContact CD2-CG2 4.36Å; L46-L71 HydrophobicContact CD2-CD2 3.84Å
47	D	89.3	Confident	87.9	Confident	46 Å²	46	62.5 Å²	62.5	25%	0.246	38%	0.384	C	S	.	.	H	α-helix	trans	-62.1	-45.3	175	-83.4	-33.6	0	0	0	112.2	T24 W26 A43 S50 S51	T24-D47 WeakPolarHBondContact CG2-OD1 3.35Å; W26-D47 VanDerWaalsContact NE1-CG 3.31Å; W26-D47 PolarHBondContact NE1-OD1 3.06Å; A43-D47 PolarHBondContact O-N 3.06Å; D47-S50 PolarHBondContact O-N 3.38Å; D47-S51 VanDerWaalsContact O-CB 3.24Å; D47-S51 WeakPolarHBondContact O-CB 3.3Å; D47-S51 PolarHBondContact O-N 2.83Å; D47-S51 PolarHBondContact O-OG 3.4Å
48	S	87	Confident	88	Confident	76 Å²	76	62.8 Å²	62.8	53%	0.531	39%	0.385	S	S	.	.	H	α-helix	trans	-62.8	-42.6	175.6	-175.9	0	0	0	0	111.8	S44 S52	S44-S48 WeakPolarHBondContact O-CB 3.38Å; S44-S48 PolarHBondContact O-N 3.36Å; S48-S52 VanDerWaalsContact O-CB 3.3Å; S48-S52 WeakPolarHBondContact O-CB 3.22Å; S48-S52 PolarHBondContact O-N 2.97Å; S48-S52 PolarHBondContact O-OG 2.8Å
49	A	89.2	Confident	88	Confident	3 Å²	3	62.3 Å²	62.3	3%	0.025	38%	0.383	C	S	.	.	H	α-helix	trans	-66.8	-42	178.2	0	0	0	0	0	112.3	M45 L46 S52 G53 K54 V57 L71	M45-A49 VanDerWaalsContact O-CB 3.23Å; M45-A49 WeakPolarHBondContact O-CB 3.45Å; M45-A49 PolarHBondContact O-N 3.37Å; L46-A49 PolarHBondContact O-N 2.88Å; A49-S52 PolarHBondContact O-OG 3.37Å; A49-G53 PolarHBondContact O-N 2.97Å; A49-K54 HydrophobicContact CB-CB 4.2Å; A49-K54 HydrophobicContact CB-CD 4.37Å; A49-K54 WeakPolarHBondContact O-CB 3.43Å; A49-K54 PolarHBondContact O-N 3.01Å; A49-V57 HydrophobicContact CB-CB 4.03Å; A49-V57 HydrophobicContact CB-CG1 4.32Å; A49-V57 HydrophobicContact CB-CG2 4.35Å; A49-L71 HydrophobicContact CB-CD1 3.65Å
50	S	86.6	Confident	87.9	Confident	60 Å²	60	62.6 Å²	62.6	42%	0.42	38%	0.383	S	S	.	.	H	α-helix	trans	-63.6	-49.2	176.2	-173.4	0	0	0	0	111.1	L46 D47 S52 G53	L46-S50 VanDerWaalsContact O-CB 3.23Å; L46-S50 WeakPolarHBondContact O-CB 3.4Å; L46-S50 PolarHBondContact O-N 3.37Å; D47-S50 PolarHBondContact O-N 3.38Å; S50-S52 VanDerWaalsContact C-N 3.29Å; S50-S52 PolarHBondContact O-N 3.4Å; S50-G53 PolarHBondContact O-N 3.39Å
51	S	83.8	Confident	87.9	Confident	109 Å²	109	58.2 Å²	58.2	76%	0.762	36%	0.36	S	S	*	.	H	α-helix	trans	-67	-28.2	-179.1	-55.8	0	0	0	0	113.2	D47 G53	D47-S51 VanDerWaalsContact O-CB 3.24Å; D47-S51 WeakPolarHBondContact O-CB 3.3Å; D47-S51 PolarHBondContact O-N 2.83Å; D47-S51 PolarHBondContact O-OG 3.4Å; S51-G53 VanDerWaalsContact C-N 3.34Å
52	S	83.7	Confident	87.4	Confident	69 Å²	69	54.6 Å²	54.6	48%	0.483	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	4.5	175	59.3	0	0	0	0	114.1	S48 A49 S50 K54	S48-S52 VanDerWaalsContact O-CB 3.3Å; S48-S52 WeakPolarHBondContact O-CB 3.22Å; S48-S52 PolarHBondContact O-N 2.97Å; S48-S52 PolarHBondContact O-OG 2.8Å; A49-S52 PolarHBondContact O-OG 3.37Å; S50-S52 VanDerWaalsContact C-N 3.29Å; S50-S52 PolarHBondContact O-N 3.4Å; S52-K54 VanDerWaalsContact C-N 3.26Å; S52-K54 PolarHBondContact O-N 2.95Å
53	G	82.7	Confident	86.6	Confident	60 Å²	60	59.4 Å²	59.4	62%	0.619	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	19.5	178	0	0	0	0	0	114.6	A49 S50 S51	A49-G53 PolarHBondContact O-N 2.97Å; S50-G53 PolarHBondContact O-N 3.39Å; S51-G53 VanDerWaalsContact C-N 3.34Å
54	K	87.1	Confident	86	Confident	125 Å²	125	61.2 Å²	61.2	54%	0.543	42%	0.424	S	S	.	.			trans	-68.4	141.5	175.7	-70.4	179.7	-177.8	172.8	0	109.9	A49 S52 L71	A49-K54 HydrophobicContact CB-CB 4.2Å; A49-K54 HydrophobicContact CB-CD 4.37Å; A49-K54 WeakPolarHBondContact O-CB 3.43Å; A49-K54 PolarHBondContact O-N 3.01Å; S52-K54 VanDerWaalsContact C-N 3.26Å; S52-K54 PolarHBondContact O-N 2.95Å; K54-L71 WeakPolarHBondContact O-CD1 3.48Å
55	T	86.1	Confident	85.9	Confident	69 Å²	69	63.7 Å²	63.7	42%	0.423	43%	0.425	S	S	.	.	S	Bend	trans	-89.9	-17.6	-177.7	61	0	0	0	0	113.1	L71 K72	T55-L71 PolarHBondContact O-N 3.32Å; T55-K72 HydrophobicContact CG2-CD 3.93Å; T55-K72 VanDerWaalsContact CG2-CE 3.42Å; T55-K72 HydrophobicContact CG2-CG 4.28Å
56	S	89.8	Confident	86	Confident	56 Å²	56	66.3 Å²	66.3	39%	0.392	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	153	176	62.3	0	0	0	0	112.4	V69	S56-V69 CarbonylContact C-O 3.49Å; S56-V69 WeakPolarHBondContact CA-O 3.38Å; S56-V69 WeakPolarHBondContact CB-O 3.26Å
57	V	92.9	Very high	86	Confident	24 Å²	24	68.5 Å²	68.5	15%	0.145	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	144.8	174.1	64.3	0	0	0	0	110.5	L46 A49 L59 V69	L46-V57 HydrophobicContact CD2-CG1 3.58Å; A49-V57 HydrophobicContact CB-CB 4.03Å; A49-V57 HydrophobicContact CB-CG1 4.32Å; A49-V57 HydrophobicContact CB-CG2 4.35Å; V57-L59 HydrophobicContact CG1-CD2 4.33Å; V57-L59 HydrophobicContact CG1-CG 4.44Å; V57-L59 HydrophobicContact CG2-CD2 4.33Å; V57-V69 HydrophobicContact CG1-CB 3.87Å; V57-V69 HydrophobicContact CG1-CG1 4.4Å; V57-V69 PolarHBondContact N-O 3.23Å; V57-V69 PolarHBondContact O-N 2.83Å
58	T	93.5	Very high	86.3	Confident	88 Å²	88	70.6 Å²	70.6	54%	0.54	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	121.1	173.6	-58.8	0	0	0	0	109.6	K66 Y67	T58-K66 HydrophobicContact CG2-CB 4.31Å; T58-Y67 CarbonylContact C-O 3.39Å; T58-Y67 VanDerWaalsContact CA-O 3.28Å; T58-Y67 WeakPolarHBondContact CA-O 3.2Å
59	L	91.3	Very high	86.6	Confident	0 Å²	0	67 Å²	67	0%	0	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	148.6	177.2	-59.5	179.5	0	0	0	110.5	Y38 A42 M45 L46 V57 L61 K66 Y67 V69	Y38-L59 HydrophobicContact CD1-CD1 4.22Å; Y38-L59 HydrophobicContact CE1-CD1 3.82Å; A42-L59 HydrophobicContact CB-CD1 4.27Å; A42-L59 HydrophobicContact CB-CD2 4.35Å; M45-L59 HydrophobicContact CB-CD2 3.9Å; M45-L59 HydrophobicContact CE-CD2 4.29Å; M45-L59 HydrophobicContact SD-CD2 4.35Å; L46-L59 HydrophobicContact CD1-CD1 3.98Å; L46-L59 HydrophobicContact CD2-CD1 4.14Å; L46-L59 HydrophobicContact CG-CD1 4.05Å; L46-L59 HydrophobicContact CG-CD2 4.43Å; V57-L59 HydrophobicContact CG1-CD2 4.33Å; V57-L59 HydrophobicContact CG1-CG 4.44Å; V57-L59 HydrophobicContact CG2-CD2 4.33Å; L59-L61 HydrophobicContact CB-CD1 4.43Å; L59-L61 HydrophobicContact CB-CD2 4.44Å; L59-L61 HydrophobicContact CB-CG 4.19Å; L59-K66 CarbonylContact O-C 3.52Å; L59-K66 WeakPolarHBondContact O-CA 3.41Å; L59-Y67 PolarHBondContact N-O 3.49Å; L59-Y67 PolarHBondContact O-N 2.83Å; L59-V69 HydrophobicContact CD1-CG2 3.6Å; L59-V69 HydrophobicContact CG-CG2 4Å
60	T	87.6	Confident	86.7	Confident	78 Å²	78	68.3 Å²	68.3	48%	0.479	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	117.4	168.7	-56	0	0	0	0	107.8	K65	T60-K65 CarbonylContact C-O 3.51Å; T60-K65 WeakPolarHBondContact CA-O 3.3Å
61	L	84.5	Confident	86.8	Confident	25 Å²	25	66.5 Å²	66.5	13%	0.131	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.9	-172.9	-57.4	169.5	0	0	0	110.9	Y38 P39 A42 L59 K65 Y67 Q76	Y38-L61 HydrophobicContact CD1-CD1 4.25Å; Y38-L61 HydrophobicContact CD1-CD2 4.16Å; Y38-L61 HydrophobicContact CE1-CD1 3.76Å; Y38-L61 HydrophobicContact CE1-CD2 4.46Å; P39-L61 HydrophobicContact CG-CD2 4.42Å; A42-L61 HydrophobicContact CB-CD2 3.61Å; L59-L61 HydrophobicContact CB-CD1 4.43Å; L59-L61 HydrophobicContact CB-CD2 4.44Å; L59-L61 HydrophobicContact CB-CG 4.19Å; L61-K65 PolarHBondContact N-O 2.81Å; L61-K65 PolarHBondContact O-N 3.24Å; L61-Y67 HydrophobicContact CB-CD2 3.97Å; L61-Y67 HydrophobicContact CB-CE2 3.94Å; L61-Y67 HydrophobicContact CD1-CD2 3.78Å; L61-Y67 HydrophobicContact CD1-CE2 4.25Å; L61-Y67 HydrophobicContact CD1-CG 4.34Å; L61-Y67 HydrophobicContact CG-CD2 4.09Å; L61-Q76 VanDerWaalsContact CD1-OE1 3.24Å
62	G	75.3	Confident	87	Confident	82 Å²	82	69.2 Å²	69.2	85%	0.845	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	-138.5	-179.5	0	0	0	0	0	112.5	G64	G62-G64 PolarHBondContact O-N 2.97Å
63	A	72.8	Confident	87.3	Confident	104 Å²	104	73 Å²	73	86%	0.86	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	45.3	-179.3	0	0	0	0	0	114.7
64	G	77.3	Confident	87.8	Confident	49 Å²	49	72.9 Å²	72.9	51%	0.505	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	16.6	175.9	0	0	0	0	0	115.4	G62	G62-G64 PolarHBondContact O-N 2.97Å
65	K	84.8	Confident	88.1	Confident	129 Å²	129	68.7 Å²	68.7	56%	0.561	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	130.7	-179.2	-71	-178.5	-178.7	174.5	0	110.8	T60 L61 Y67	T60-K65 CarbonylContact C-O 3.51Å; T60-K65 WeakPolarHBondContact CA-O 3.3Å; L61-K65 PolarHBondContact N-O 2.81Å; L61-K65 PolarHBondContact O-N 3.24Å; K65-Y67 HydrophobicContact CB-CE2 3.79Å; K65-Y67 WeakPolarHBondContact O-CD2 3.48Å
66	K	89.9	Confident	88.4	Confident	140 Å²	140	65.9 Å²	65.9	61%	0.609	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	135.8	177.6	-63.8	-175.5	-179.6	-177.8	0	111.4	T58 L59 P79	T58-K66 HydrophobicContact CG2-CB 4.31Å; L59-K66 CarbonylContact O-C 3.52Å; L59-K66 WeakPolarHBondContact O-CA 3.41Å; K66-P79 WeakPolarHBondContact O-CD 3.34Å
67	Y	91.8	Very high	88.6	Confident	47 Å²	47	64.6 Å²	64.6	18%	0.184	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.7	175.4	-65.6	-88.9	0	0	0	109.7	T58 L59 L61 K65 Q76 N78	T58-Y67 CarbonylContact C-O 3.39Å; T58-Y67 VanDerWaalsContact CA-O 3.28Å; T58-Y67 WeakPolarHBondContact CA-O 3.2Å; L59-Y67 PolarHBondContact N-O 3.49Å; L59-Y67 PolarHBondContact O-N 2.83Å; L61-Y67 HydrophobicContact CB-CD2 3.97Å; L61-Y67 HydrophobicContact CB-CE2 3.94Å; L61-Y67 HydrophobicContact CD1-CD2 3.78Å; L61-Y67 HydrophobicContact CD1-CE2 4.25Å; L61-Y67 HydrophobicContact CD1-CG 4.34Å; L61-Y67 HydrophobicContact CG-CD2 4.09Å; K65-Y67 HydrophobicContact CB-CE2 3.79Å; K65-Y67 WeakPolarHBondContact O-CD2 3.48Å; Y67-Q76 HydrophobicContact CD1-CG 3.95Å; Y67-Q76 HydrophobicContact CG-CG 4.1Å; Y67-N78 HydrophobicContact CD1-CB 4.1Å; Y67-N78 HydrophobicContact CE1-CB 3.97Å
68	E	93.8	Very high	88.4	Confident	89 Å²	89	64.7 Å²	64.7	42%	0.416	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122.9	172.8	-175.4	179.8	-175.7	0	0	108.8	Q76 I77	E68-Q76 CarbonylContact O-C 3.49Å; E68-I77 PolarHBondContact N-O 3.35Å; E68-I77 WeakPolarHBondContact O-CA 3.31Å; E68-I77 WeakPolarHBondContact O-CB 3.41Å; E68-I77 PolarHBondContact O-N 3.44Å
69	V	93.7	Very high	87.7	Confident	0 Å²	0	63 Å²	63	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.4	177.2	178	0	0	0	0	109.1	L46 S56 V57 L59 L71 L75 Q76 I87	L46-V69 HydrophobicContact CD2-CB 4.21Å; L46-V69 HydrophobicContact CD2-CG1 3.75Å; L46-V69 HydrophobicContact CD2-CG2 4.36Å; S56-V69 CarbonylContact C-O 3.49Å; S56-V69 WeakPolarHBondContact CA-O 3.38Å; S56-V69 WeakPolarHBondContact CB-O 3.26Å; V57-V69 HydrophobicContact CG1-CB 3.87Å; V57-V69 HydrophobicContact CG1-CG1 4.4Å; V57-V69 PolarHBondContact N-O 3.23Å; V57-V69 PolarHBondContact O-N 2.83Å; L59-V69 HydrophobicContact CD1-CG2 3.6Å; L59-V69 HydrophobicContact CG-CG2 4Å; V69-L71 HydrophobicContact CG1-CD2 4Å; V69-L71 HydrophobicContact CG1-CG 4.38Å; V69-L75 CarbonylContact C-O 3.58Å; V69-L75 WeakPolarHBondContact CA-O 3.41Å; V69-Q76 HydrophobicContact CG2-CB 4.2Å; V69-Q76 HydrophobicContact CG2-CG 4.12Å; V69-I87 HydrophobicContact CG1-CD1 3.36Å; V69-I87 HydrophobicContact CG1-CG1 4.45Å
70	D	91.4	Very high	87.2	Confident	31 Å²	31	69 Å²	69	17%	0.166	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	107.2	170.7	-177.4	-27.9	0	0	0	108.3	K72 K73 M74 L75	D70-K72 VanDerWaalsContact C-N 3.31Å; D70-K72 WeakPolarHBondContact OD1-CA 3.22Å; D70-K72 WeakPolarHBondContact OD1-CB 3.42Å; D70-K72 PolarHBondContact OD1-N 3.4Å; D70-K73 HydrophobicContact CB-CB 4.39Å; D70-K73 PolarHBondContact OD1-N 3.05Å; D70-K73 WeakPolarHBondContact OD2-CD 3.45Å; D70-K73 WeakPolarHBondContact OD2-CG 3.35Å; D70-M74 WeakPolarHBondContact O-CA 3.28Å; D70-M74 PolarHBondContact O-N 2.84Å; D70-L75 PolarHBondContact N-O 2.76Å; D70-L75 PolarHBondContact O-N 2.91Å
71	L	89.9	Confident	87.2	Confident	23 Å²	23	69.7 Å²	69.7	12%	0.12	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-15.6	-177.2	-68.9	172.2	0	0	0	112.6	W26 L46 A49 K54 T55 V69 I87	W26-L71 HydrophobicContact CH2-CD2 3.99Å; W26-L71 HydrophobicContact CZ3-CD2 4.1Å; L46-L71 HydrophobicContact CD2-CD2 3.84Å; A49-L71 HydrophobicContact CB-CD1 3.65Å; K54-L71 WeakPolarHBondContact O-CD1 3.48Å; T55-L71 PolarHBondContact O-N 3.32Å; V69-L71 HydrophobicContact CG1-CD2 4Å; V69-L71 HydrophobicContact CG1-CG 4.38Å; L71-I87 HydrophobicContact CD2-CD1 4.23Å
72	K	87.9	Confident	87.3	Confident	166 Å²	166	75.3 Å²	75.3	72%	0.722	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-40.5	173.5	-79.4	-176.8	166.5	174.7	0	111.5	T55 D70	T55-K72 HydrophobicContact CG2-CD 3.93Å; T55-K72 VanDerWaalsContact CG2-CE 3.42Å; T55-K72 HydrophobicContact CG2-CG 4.28Å; D70-K72 VanDerWaalsContact C-N 3.31Å; D70-K72 WeakPolarHBondContact OD1-CA 3.22Å; D70-K72 WeakPolarHBondContact OD1-CB 3.42Å; D70-K72 PolarHBondContact OD1-N 3.4Å
73	K	89.6	Confident	87.8	Confident	147 Å²	147	77.1 Å²	77.1	64%	0.639	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-7.8	179.7	-63.4	-177.5	-172.9	165	0	113	D70 L75	D70-K73 HydrophobicContact CB-CB 4.39Å; D70-K73 PolarHBondContact OD1-N 3.05Å; D70-K73 WeakPolarHBondContact OD2-CD 3.45Å; D70-K73 WeakPolarHBondContact OD2-CG 3.35Å; K73-L75 HydrophobicContact CB-CD1 3.93Å; K73-L75 HydrophobicContact CB-CG 4.09Å
74	M	93.6	Very high	88.7	Confident	59 Å²	59	77.9 Å²	77.9	29%	0.291	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	52.3	-175	-61.3	-65.1	-74.4	0	0	111.1	W26 D70 I87	W26-M74 HydrophobicContact CH2-CE 4.33Å; W26-M74 HydrophobicContact CZ3-CE 3.66Å; W26-M74 HydrophobicContact CZ3-SD 4.32Å; D70-M74 WeakPolarHBondContact O-CA 3.28Å; D70-M74 PolarHBondContact O-N 2.84Å; M74-I87 HydrophobicContact CB-CG1 4.07Å; M74-I87 WeakPolarHBondContact CB-O 3.19Å; M74-I87 HydrophobicContact CE-CD1 4.44Å; M74-I87 HydrophobicContact CE-CG1 4.24Å; M74-I87 WeakPolarHBondContact O-CG1 3.48Å; M74-I87 PolarHBondContact O-N 3.22Å; M74-I87 HydrophobicContact SD-CD1 4.47Å; M74-I87 HydrophobicContact SD-CG1 4.46Å
75	L	92.9	Very high	89.4	Confident	37 Å²	37	78.5 Å²	78.5	19%	0.194	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.1	-178.9	-67.2	174.1	0	0	0	112.2	V69 D70 K73 I77 K84 R85 K86	V69-L75 CarbonylContact C-O 3.58Å; V69-L75 WeakPolarHBondContact CA-O 3.41Å; D70-L75 PolarHBondContact N-O 2.76Å; D70-L75 PolarHBondContact O-N 2.91Å; K73-L75 HydrophobicContact CB-CD1 3.93Å; K73-L75 HydrophobicContact CB-CG 4.09Å; L75-I77 HydrophobicContact CB-CG1 4.5Å; L75-K84 HydrophobicContact CD1-CD 4.24Å; L75-R85 CarbonylContact C-O 3.03Å; L75-R85 VanDerWaalsContact CA-O 3.29Å; L75-R85 WeakPolarHBondContact CA-O 3.46Å; L75-K86 HydrophobicContact CD2-CG 4.16Å
76	Q	92.9	Very high	89.8	Confident	10 Å²	10	78.5 Å²	78.5	5%	0.047	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	132.2	162.5	-179.1	179.5	-83	0	0	109.8	Y38 L61 Y67 E68 V69 K84 R85 I87	Y38-Q76 VanDerWaalsContact CE1-OE1 3.23Å; Y38-Q76 PolarHBondContact OH-OE1 3.14Å; L61-Q76 VanDerWaalsContact CD1-OE1 3.24Å; Y67-Q76 HydrophobicContact CD1-CG 3.95Å; Y67-Q76 HydrophobicContact CG-CG 4.1Å; E68-Q76 CarbonylContact O-C 3.49Å; V69-Q76 HydrophobicContact CG2-CB 4.2Å; V69-Q76 HydrophobicContact CG2-CG 4.12Å; Q76-K84 CarbonylContact O-C 3.59Å; Q76-K84 VanDerWaalsContact O-CA 3.25Å; Q76-K84 WeakPolarHBondContact O-CA 3.36Å; Q76-R85 PolarHBondContact N-O 3.03Å; Q76-R85 PolarHBondContact O-N 3.41Å; Q76-I87 HydrophobicContact CB-CG2 3.88Å
77	I	92.5	Very high	90.1	Very high	28 Å²	28	72.1 Å²	72.1	14%	0.144	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.7	-174.5	-50.6	179.3	0	0	0	109.1	E68 L75 P79 Y83 K84	E68-I77 PolarHBondContact N-O 3.35Å; E68-I77 WeakPolarHBondContact O-CA 3.31Å; E68-I77 WeakPolarHBondContact O-CB 3.41Å; E68-I77 PolarHBondContact O-N 3.44Å; L75-I77 HydrophobicContact CB-CG1 4.5Å; I77-P79 WeakPolarHBondContact O-CD 3.42Å; I77-Y83 WeakPolarHBondContact CA-O 3.45Å; I77-K84 HydrophobicContact CD1-CD 4.38Å; I77-K84 HydrophobicContact CG1-CD 4.32Å; I77-K84 HydrophobicContact CG1-CG 4.06Å; I77-K84 HydrophobicContact CG2-CG 4.29Å
78	N	88.8	Confident	90.1	Very high	26 Å²	26	73.2 Å²	73.2	14%	0.139	35%	0.346	C	S	.	.			trans	-81.1	117.8	168.2	-175.3	-55.1	0	0	0	109.1	Y67 T80 T81 K82 Y83	Y67-N78 HydrophobicContact CD1-CB 4.1Å; Y67-N78 HydrophobicContact CE1-CB 3.97Å; N78-T80 PolarHBondContact O-N 2.78Å; N78-T80 WeakPolarHBondContact OD1-CB 3.43Å; N78-T80 PolarHBondContact OD1-N 3.29Å; N78-T81 WeakPolarHBondContact CB-OG1 3.39Å; N78-T81 VanDerWaalsContact CG-OG1 3.3Å; N78-T81 PolarHBondContact OD1-N 3.06Å; N78-T81 PolarHBondContact OD1-OG1 3.43Å; N78-K82 WeakPolarHBondContact O-CA 3.43Å; N78-K82 PolarHBondContact O-N 2.89Å; N78-Y83 PolarHBondContact N-O 2.98Å
79	P	80.1	Confident	89.9	Confident	52 Å²	52	71.7 Å²	71.7	34%	0.338	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.8	-174.1	26.2	-33.7	0	0	0	113.3	K66 I77 K82	K66-P79 WeakPolarHBondContact O-CD 3.34Å; I77-P79 WeakPolarHBondContact O-CD 3.42Å; P79-K82 WeakPolarHBondContact O-CE 3.36Å; P79-K82 PolarHBondContact O-NZ 3.44Å
80	T	81	Confident	89.6	Confident	127 Å²	127	75.5 Å²	75.5	78%	0.779	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-46.7	-179.3	-50.4	0	0	0	0	112.1	N78	N78-T80 PolarHBondContact O-N 2.78Å; N78-T80 WeakPolarHBondContact OD1-CB 3.43Å; N78-T80 PolarHBondContact OD1-N 3.29Å
81	T	85.8	Confident	89.1	Confident	92 Å²	92	80 Å²	80	56%	0.564	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-9.9	-176	65.1	0	0	0	0	113.7	N78 Y83	N78-T81 WeakPolarHBondContact CB-OG1 3.39Å; N78-T81 VanDerWaalsContact CG-OG1 3.3Å; N78-T81 PolarHBondContact OD1-N 3.06Å; N78-T81 PolarHBondContact OD1-OG1 3.43Å; T81-Y83 PolarHBondContact O-N 3.43Å; T81-Y83 WeakPolarHBondContact OG1-CB 3.25Å; T81-Y83 PolarHBondContact OG1-N 3.15Å
82	K	87.9	Confident	88.5	Confident	144 Å²	144	80.9 Å²	80.9	63%	0.626	39%	0.392	S	S	*	.			trans	59.1	7.8	-172.2	-53	-53.9	-174	-165.6	0	114.9	N78 P79	N78-K82 WeakPolarHBondContact O-CA 3.43Å; N78-K82 PolarHBondContact O-N 2.89Å; P79-K82 WeakPolarHBondContact O-CE 3.36Å; P79-K82 PolarHBondContact O-NZ 3.44Å
83	Y	85	Confident	87.2	Confident	119 Å²	119	80.8 Å²	80.8	47%	0.467	39%	0.391	S	S	.	.			trans	-63.6	140.1	175.1	-168.6	-99.9	0	0	0	110.7	D31 I77 N78 T81 R85	D31-Y83 PolarHBondContact OD1-OH 2.85Å; I77-Y83 WeakPolarHBondContact CA-O 3.45Å; N78-Y83 PolarHBondContact N-O 2.98Å; T81-Y83 PolarHBondContact O-N 3.43Å; T81-Y83 WeakPolarHBondContact OG1-CB 3.25Å; T81-Y83 PolarHBondContact OG1-N 3.15Å; Y83-R85 HydrophobicContact CD1-CG 3.9Å; Y83-R85 HydrophobicContact CE1-CG 3.44Å; Y83-R85 VanDerWaalsContact CE1-CG 3.44Å
84	K	91.8	Very high	85.1	Confident	120 Å²	120	79.7 Å²	79.7	52%	0.522	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138.7	-177.1	-51	-173.2	-175.4	172	0	110.2	L75 Q76 I77	L75-K84 HydrophobicContact CD1-CD 4.24Å; Q76-K84 CarbonylContact O-C 3.59Å; Q76-K84 VanDerWaalsContact O-CA 3.25Å; Q76-K84 WeakPolarHBondContact O-CA 3.36Å; I77-K84 HydrophobicContact CD1-CD 4.38Å; I77-K84 HydrophobicContact CG1-CD 4.32Å; I77-K84 HydrophobicContact CG1-CG 4.06Å; I77-K84 HydrophobicContact CG2-CG 4.29Å
85	R	91.4	Very high	82.9	Confident	62 Å²	62	86.4 Å²	86.4	23%	0.234	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.9	173.8	-65.2	-178.3	-171.1	-157.9	-20.4	109.7	D31 L75 Q76 Y83	D31-R85 IonicContact OD1-CZ 2.71Å; D31-R85 VanDerWaalsContact OD1-CZ 3.25Å; D31-R85 IonicContact OD1-NE 4Å; D31-R85 IonicContact OD1-NH2 3.79Å; D31-R85 PolarHBondContact OD1-NH2 3.25Å; D31-R85 IonicContact OD2-CZ 3.25Å; D31-R85 IonicContact OD2-NH1 3.5Å; D31-R85 IonicContact OD2-NH2 2.8Å; D31-R85 PolarHBondContact OD2-NH2 3.18Å; L75-R85 CarbonylContact C-O 3.03Å; L75-R85 VanDerWaalsContact CA-O 3.29Å; L75-R85 WeakPolarHBondContact CA-O 3.46Å; Q76-R85 PolarHBondContact N-O 3.03Å; Q76-R85 PolarHBondContact O-N 3.41Å; Y83-R85 HydrophobicContact CD1-CG 3.9Å; Y83-R85 HydrophobicContact CE1-CG 3.44Å; Y83-R85 VanDerWaalsContact CE1-CG 3.44Å
86	K	94.7	Very high	80.6	Confident	129 Å²	129	88.8 Å²	88.8	56%	0.561	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	147.1	174.8	-66.5	-176.7	-178.6	176.4	0	110.4	W28 Q29 W35 L75	W28-K86 WeakPolarHBondContact CA-O 3.4Å; Q29-K86 HydrophobicContact CB-CB 4.22Å; Q29-K86 PolarHBondContact N-O 3Å; W35-K86 HydrophobicContact CH2-CB 3.89Å; L75-K86 HydrophobicContact CD2-CG 4.16Å
87	I	95.5	Very high	78	Confident	6 Å²	6	94.3 Å²	94.3	3%	0.031	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	157.4	172.5	66.7	154	0	0	0	109.9	W26 Q27 W28 Y38 V69 L71 M74 Q76	W26-I87 HydrophobicContact CE3-CD1 4.23Å; W26-I87 HydrophobicContact CZ3-CD1 4.01Å; Q27-I87 CarbonylContact O-C 3.57Å; Q27-I87 VanDerWaalsContact O-CA 3.25Å; Q27-I87 WeakPolarHBondContact O-CA 3.33Å; W28-I87 HydrophobicContact CB-CG2 3.98Å; Y38-I87 HydrophobicContact CE2-CB 4.32Å; Y38-I87 HydrophobicContact CE2-CG2 3.99Å; Y38-I87 WeakPolarHBondContact OH-CG2 3.34Å; V69-I87 HydrophobicContact CG1-CD1 3.36Å; V69-I87 HydrophobicContact CG1-CG1 4.45Å; L71-I87 HydrophobicContact CD2-CD1 4.23Å; M74-I87 HydrophobicContact CB-CG1 4.07Å; M74-I87 WeakPolarHBondContact CB-O 3.19Å; M74-I87 HydrophobicContact CE-CD1 4.44Å; M74-I87 HydrophobicContact CE-CG1 4.24Å; M74-I87 WeakPolarHBondContact O-CG1 3.48Å; M74-I87 PolarHBondContact O-N 3.22Å; M74-I87 HydrophobicContact SD-CD1 4.47Å; M74-I87 HydrophobicContact SD-CG1 4.46Å; Q76-I87 HydrophobicContact CB-CG2 3.88Å
88	R	92.7	Very high	75.2	Confident	71 Å²	71	100.6 Å²	100.6	27%	0.268	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	156	174.2	71.5	-176.9	-175.3	-177.3	2.1	111	W26 Q27 W35	W26-R88 WeakPolarHBondContact CA-O 3.21Å; Q27-R88 HydrophobicContact CB-CG 4.14Å; Q27-R88 PolarHBondContact N-O 3.44Å; Q27-R88 PolarHBondContact O-N 2.94Å; Q27-R88 VanDerWaalsContact OE1-CZ 3.24Å; W35-R88 VanDerWaalsContact CD1-CZ 3.41Å; W35-R88 HydrophobicContact CD2-CG 4.15Å; W35-R88 HydrophobicContact CE3-CB 4.46Å; W35-R88 HydrophobicContact CE3-CG 3.65Å; W35-R88 HydrophobicContact CH2-CB 4.03Å; W35-R88 HydrophobicContact CH2-CG 4.03Å; W35-R88 HydrophobicContact CZ3-CB 3.9Å; W35-R88 HydrophobicContact CZ3-CG 3.59Å
89	S	89.8	Confident	72.7	Confident	57 Å²	57	108.9 Å²	108.9	40%	0.399	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138.9	164.5	52.7	0	0	0	0	109.2	V25	V25-S89 WeakPolarHBondContact O-CA 3.42Å
90	Q	86.4	Confident	70.5	Confident	80 Å²	80	111.5 Å²	111.5	37%	0.374	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.5	140.2	174	-70.8	-172	-20.9	0	0	109.6	T24 V25	T24-Q90 CarbonylContact C-O 3.28Å; T24-Q90 WeakPolarHBondContact CA-O 3.38Å; V25-Q90 PolarHBondContact N-O 2.91Å; V25-Q90 PolarHBondContact O-N 3Å
91	I	80.3	Confident	68.3	Low	124 Å²	124	108.6 Å²	108.6	64%	0.636	56%	0.562	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.3	119.7	174.2	-58.9	176.2	0	0	0	107.2	T22	T22-I91 HydrophobicContact CG2-CG2 4.06Å
92	V	78.4	Confident	65.5	Low	43 Å²	43	111.8 Å²	111.8	26%	0.261	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.8	139.5	-177.5	-168.7	0	0	0	0	109.7	K23 V25	K23-V92 PolarHBondContact N-O 2.97Å; K23-V92 PolarHBondContact O-N 2.84Å; V25-V92 HydrophobicContact CB-CG2 4.34Å; V25-V92 HydrophobicContact CG2-CB 4.41Å; V25-V92 HydrophobicContact CG2-CG2 3.85Å
93	K	60.1	Low	62.6	Low	163 Å²	163	111.4 Å²	111.4	71%	0.709	58%	0.584	S	S	*	*			trans	-88	138.5	174.5	-65.1	-179.1	-179.1	177.9	0	109.7	E95 S96	K93-E95 PolarHBondContact O-N 3.12Å; K93-S96 PolarHBondContact O-OG 3.41Å; K93-S96 VanDerWaalsContact O-OG 3.08Å
94	E	46.1	Very low	60	Low	125 Å²	125	110.1 Å²	110.1	58%	0.584	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-66.5	-5.9	-163.7	-150.2	164.9	-155.5	0	0	115.8	S96	E94-S96 VanDerWaalsContact C-N 3.32Å; E94-S96 PolarHBondContact O-N 3.29Å
95	E	45.9	Very low	56.9	Low	200 Å²	200	108.8 Å²	108.8	94%	0.935	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-80.2	-0.6	-179.7	-69.9	-178.3	158.8	0	0	115.2	K93	K93-E95 PolarHBondContact O-N 3.12Å
96	S	45.5	Very low	53.8	Low	86 Å²	86	114.1 Å²	114.1	60%	0.601	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-108.2	13.4	-172.8	48.7	0	0	0	0	115.8	K93 E94	K93-S96 PolarHBondContact O-OG 3.41Å; K93-S96 VanDerWaalsContact O-OG 3.08Å; E94-S96 VanDerWaalsContact C-N 3.32Å; E94-S96 PolarHBondContact O-N 3.29Å
97	L	39.1	Very low	50.5	Low	126 Å²	126	115.4 Å²	115.4	66%	0.66	65%	0.65	S	S	*	*	S	Bend	trans	-110.9	1	-173.2	-74.5	166.8	0	0	0	116.2
98	N	33.2	Very low	47.2	Very low	161 Å²	161	118.8 Å²	118.8	86%	0.861	69%	0.687	S	S	*	*	S	Bend	trans	-107.9	10.8	-175	-79.8	-10.4	0	0	0	116.6
99	E	36.3	Very low	44	Very low	200 Å²	200	122.8 Å²	122.8	94%	0.935	71%	0.713	S	S	*	*	S	Bend	trans	-117	63.3	171.1	-72.6	-169.8	170.3	0	0	111.5
100	A	34.4	Very low	41.1	Very low	106 Å²	106	124.7 Å²	124.7	88%	0.876	73%	0.727	S	S	*	*	S	Bend	trans	-152.7	53.7	166.9	0	0	0	0	0	110.5
101	G	33.7	Very low	38.1	Very low	67 Å²	67	127.5 Å²	127.5	69%	0.691	75%	0.749	S	S	*	*	S	Bend	trans	173.4	63.4	175.9	0	0	0	0	0	114
102	D	26.6	Very low	35.5	Very low	158 Å²	158	130.2 Å²	130.2	85%	0.845	76%	0.759	S	S	*	*	S	Bend		174.2	136.4	125.3	-104	-27.9	0	0	0	113.6
103	V	28.1	Very low	32.9	Very low	136 Å²	136	136 Å²	136	82%	0.824	79%	0.787	S	S	*	*			trans	70.7	124	161.4	-133.5	0	0	0	0	122.1
104	A	30.7	Very low	31.1	Very low	92 Å²	92	137.2 Å²	137.2	76%	0.76	79%	0.792	S	S	*	*			trans	-66.8	146.2	165.4	0	0	0	0	0	114.1
105	A	26.2	Very low	30	Very low	92 Å²	92	140.7 Å²	140.7	76%	0.76	81%	0.808	S	S	*	*			trans	158.1	134	130.9	0	0	0	0	0	112
106	E	25.5	Very low	28.9	Very low	175 Å²	175	140 Å²	140	82%	0.818	81%	0.805	S	S	*	*			trans	68.4	126.9	156.8	-64.7	-173.3	171.7	0	0	121.5
107	N	26.7	Very low	27.9	Very low	156 Å²	156	145.1 Å²	145.1	83%	0.834	82%	0.82	S	S	*	*			trans	63.3	122.9	164	-57.3	-27.8	0	0	0	115.7
108	G	26.4	Very low	27.2	Very low	77 Å²	77	148.7 Å²	148.7	79%	0.794	83%	0.833	S	S	*	*			cis	92.2	67.9	45.9	0	0	0	0	0	109.8
109	D	25	Very low	26.8	Very low	154 Å²	154	149.8 Å²	149.8	82%	0.824	83%	0.833	S	S	*	*			trans	-171	154.6	133	-134.1	-28.6	0	0	0	112.8
110	S	28.3	Very low	26.3	Very low	97 Å²	97	146.7 Å²	146.7	68%	0.678	83%	0.828	S	S	*	*			trans	-68.1	145.1	178.6	55.9	0	0	0	0	114.1
111	V	24.3	Very low	25.8	Very low	139 Å²	139	146.3 Å²	146.3	84%	0.842	82%	0.824	S	S	*	*			trans	-134.6	122	160.5	-177.2	0	0	0	0	110.5
112	Q	25.6	Very low	25.3	Very low	181 Å²	181	152.6 Å²	152.6	85%	0.846	84%	0.836	S	S	*	*			trans	-72.3	147.5	174.6	-63.3	172.7	-22.1	0	0	111.2
113	I	23.4	Very low	25.3	Very low	165 Å²	165	153.4 Å²	153.4	85%	0.846	83%	0.834	S	S	*	*			trans	-128.7	127.5	161.7	-59.3	-179.3	0	0	0	109.5
114	K	22	Very low	25.1	Very low	189 Å²	189	153.4 Å²	153.4	82%	0.822	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-66.5	140.3	176.4	-76	171.8	166.6	-179.2	0	111.4
115	E	22.4	Very low	24.7	Very low	198 Å²	198	153.1 Å²	153.1	93%	0.925	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-84.7	128	156.6	-68.3	177.8	159.3	0	0	108.3
116	E	23.3	Very low	24.7	Very low	185 Å²	185	153.2 Å²	153.2	86%	0.864	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-103.8	125.2	160.9	-88.2	-177.9	168.5	0	0	108.1
117	E	25.2	Very low	24.6	Very low	194 Å²	194	155.4 Å²	155.4	91%	0.907	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-66.2	149.2	168.4	-69.1	174.9	139.2	0	0	110.5
118	E	23.4	Very low	24.5	Very low	201 Å²	201	159.4 Å²	159.4	94%	0.939	85%	0.846	S	S	*	*			trans	-127.3	126.9	160	-135.9	-179.9	-166.5	0	0	110.9
119	E	24.6	Very low	24.4	Very low	184 Å²	184	166.1 Å²	166.1	86%	0.86	85%	0.847	S	S	*	*			trans	-71.3	158.6	-173.2	-80.8	178.9	130.8	0	0	114.8
120	T	25.9	Very low	24.3	Very low	135 Å²	135	169.7 Å²	169.7	83%	0.828	85%	0.849	S	S	*	*			trans	-57.6	147.1	166.2	45.3	0	0	0	0	116.1
121	A	24.5	Very low	24	Very low	97 Å²	97	169 Å²	169	80%	0.802	86%	0.858	S	S	*	*			trans	-157.8	105.5	143.6	0	0	0	0	0	109
122	E	23.5	Very low	24.1	Very low	199 Å²	199	171.4 Å²	171.4	93%	0.93	86%	0.859	S	S	*	*				77.9	130.8	87.8	-136.1	-177.1	-160.8	0	0	115.6
123	Q	26.3	Very low	23.9	Very low	175 Å²	175	167.6 Å²	167.6	82%	0.818	85%	0.853	S	S	*	*			trans	-75.1	175	-172.2	-63.8	-179.8	-1.5	0	0	113.5
124	P	23.5	Very low	24	Very low	136 Å²	136	169.2 Å²	169.2	88%	0.883	85%	0.854	S	S	*	*				-139.2	170.7	116.8	33.6	-18.4	0	0	0	116.1
125	A	23.8	Very low	24.1	Very low	87 Å²	87	165.9 Å²	165.9	72%	0.719	85%	0.854	S	S	*	*			trans	-97.4	158.8	-154.2	0	0	0	0	0	117.7
126	A	26	Very low	24.1	Very low	93 Å²	93	161.3 Å²	161.3	77%	0.769	85%	0.851	S	S	*	*			trans	57.8	124.7	137.7	0	0	0	0	0	123
127	K	23.4	Very low	24.2	Very low	221 Å²	221	157.2 Å²	157.2	96%	0.961	85%	0.849	S	S	*	*				-171.4	144.8	122.4	-105.2	166.8	-174.3	172.8	0	114.3
128	R	24.3	Very low	24.2	Very low	240 Å²	240	158 Å²	158	91%	0.906	85%	0.849	S	S	*	*			trans	-77.2	147	-179.3	-60	160.3	87	179.8	8.2	112.9
129	R	23.8	Very low	24.2	Very low	219 Å²	219	155.1 Å²	155.1	83%	0.826	85%	0.845	S	S	*	*				171.9	131	119.1	-103.9	-179.8	160	-174.7	-3.8	115.3
130	R	23.1	Very low	24.3	Very low	228 Å²	228	156.1 Å²	156.1	86%	0.86	85%	0.847	S	S	*	*			trans	42.7	131.5	136.2	-76.8	-178.8	168.9	178.8	-4.5	121.8
131	G	22.6	Very low	24.2	Very low	83 Å²	83	157.5 Å²	157.5	86%	0.856	85%	0.849	S	S	*	*			trans	167.1	116.2	147.4	0	0	0	0	0	115.8
132	Q	24.8	Very low	24.1	Very low	189 Å²	189	160.6 Å²	160.6	88%	0.883	85%	0.849	S	S	*	*			trans	-73.6	153	-175.6	-86.9	166.3	-27	0	0	116.8
133	S	23.2	Very low	24.2	Very low	102 Å²	102	157 Å²	157	71%	0.713	84%	0.842	S	S	*	*				109.3	133.3	123.2	67.3	0	0	0	0	122.9
134	K	23.8	Very low	24.1	Very low	198 Å²	198	158.3 Å²	158.3	86%	0.861	85%	0.846	S	S	*	*			trans	72.7	140.8	152.1	-70.5	171.9	-175.8	-176.9	0	116.6
135	S	24	Very low	24.1	Very low	119 Å²	119	160.5 Å²	160.5	83%	0.832	84%	0.844	S	S	*	*			cis	-165.5	161.2	13.1	32.7	0	0	0	0	110.2
136	A	24.2	Very low	24.2	Very low	103 Å²	103	164.2 Å²	164.2	85%	0.851	85%	0.846	S	S	*	*			trans	-64.8	151.7	-173.6	0	0	0	0	0	116.7
137	A	24.4	Very low	24.1	Very low	99 Å²	99	167 Å²	167	82%	0.818	85%	0.847	S	S	*	*			trans	-156.4	129.4	133.4	0	0	0	0	0	110
138	K	24.4	Very low	24.2	Very low	210 Å²	210	164.7 Å²	164.7	91%	0.913	84%	0.837	S	S	*	*			trans	-75.7	135.7	176.6	-75	173.6	172.5	175.4	0	110.3
139	T	23.6	Very low	24.2	Very low	140 Å²	140	159.3 Å²	159.3	86%	0.859	83%	0.831	S	S	*	*			trans	-136.8	124.9	150.6	-2.7	0	0	0	0	108	D141	T139-D141 PolarHBondContact O-N 3.38Å
140	K	26.5	Very low	24.2	Very low	206 Å²	206	156.8 Å²	156.8	90%	0.896	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-63.8	121	177.9	-76.2	172.6	169.2	179.1	0	109.2
141	D	24	Very low	24.4	Very low	164 Å²	164	153.7 Å²	153.7	88%	0.877	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-94.7	120.5	160.4	-106	-30.4	0	0	0	108.8	T139	T139-D141 PolarHBondContact O-N 3.38Å
142	M	23	Very low	24.6	Very low	162 Å²	162	154.7 Å²	154.7	80%	0.798	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-73.1	142.1	164.9	-69	173.7	57.8	0	0	108.3	K144	M142-K144 PolarHBondContact O-N 2.84Å
143	P	25.1	Very low	24.9	Very low	122 Å²	122	148.9 Å²	148.9	79%	0.792	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-62.3	122.4	170.3	-12.8	26.6	0	0	0	108.7	E145	P143-E145 PolarHBondContact O-N 3.12Å; P143-E145 VanDerWaalsContact O-N 3.09Å
144	K	24.9	Very low	25.5	Very low	204 Å²	204	151.8 Å²	151.8	89%	0.887	79%	0.786	S	S	*	*			trans	-64.8	106.5	160.1	-84.2	178	175.9	173.3	0	106.6	M142 E146	M142-K144 PolarHBondContact O-N 2.84Å; K144-E146 PolarHBondContact O-N 2.91Å
145	E	24.3	Very low	26.1	Very low	181 Å²	181	148.2 Å²	148.2	85%	0.846	78%	0.781	S	S	*	*			trans	-54	107.8	161	-78.5	176.6	151.4	0	0	108	P143 I147	P143-E145 PolarHBondContact O-N 3.12Å; P143-E145 VanDerWaalsContact O-N 3.09Å; E145-I147 PolarHBondContact O-N 2.8Å; E145-I147 VanDerWaalsContact O-N 3.15Å
146	E	24.9	Very low	27	Very low	165 Å²	165	145.9 Å²	145.9	77%	0.771	76%	0.761	S	S	*	*			trans	-61.5	109.7	155.4	-75.9	-178.7	158.9	0	0	106.6	K144 K148	K144-E146 PolarHBondContact O-N 2.91Å; E146-K148 PolarHBondContact O-N 2.78Å
147	I	24.7	Very low	27.8	Very low	153 Å²	153	145.6 Å²	145.6	79%	0.785	75%	0.749	S	S	*	*			trans	-64.8	88.9	166.6	-60	168.7	0	0	0	105.9	E145 T149	E145-I147 PolarHBondContact O-N 2.8Å; E145-I147 VanDerWaalsContact O-N 3.15Å; I147-T149 PolarHBondContact O-N 3.49Å; I147-T149 VanDerWaalsContact O-N 3.15Å
148	K	24.3	Very low	29.2	Very low	172 Å²	172	141.7 Å²	141.7	75%	0.748	71%	0.714	S	S	*	*			trans	-64.6	106.4	158.4	-73.5	-178.3	177.6	-179.3	0	105.7	E146 E150	E146-K148 PolarHBondContact O-N 2.78Å; K148-E150 PolarHBondContact O-N 3.41Å
149	T	24.4	Very low	30.6	Very low	127 Å²	127	135.5 Å²	135.5	78%	0.779	69%	0.687	S	S	*	*			trans	-61.4	93	159.7	27	0	0	0	0	107.1	I147 E151	I147-T149 PolarHBondContact O-N 3.49Å; I147-T149 VanDerWaalsContact O-N 3.15Å; T149-E151 VanDerWaalsContact C-N 3.26Å; T149-E151 PolarHBondContact O-N 2.85Å
150	E	24.5	Very low	32.3	Very low	165 Å²	165	129.9 Å²	129.9	77%	0.771	66%	0.657	S	S	*	*			trans	-62.9	93.5	159.5	-71.5	-179.7	164.9	0	0	106.8	K148 V152	K148-E150 PolarHBondContact O-N 3.41Å; E150-V152 HydrophobicContact CB-CG2 4.23Å; E150-V152 PolarHBondContact O-N 2.97Å
151	E	27.1	Very low	34.3	Very low	163 Å²	163	121.8 Å²	121.8	76%	0.762	62%	0.622	S	S	*	*			trans	-69.2	85.1	155.7	-84.1	-169.7	151.8	0	0	106.3	T149 V153 R330	T149-E151 VanDerWaalsContact C-N 3.26Å; T149-E151 PolarHBondContact O-N 2.85Å; E151-V153 PolarHBondContact O-N 2.81Å; E151-R330 IonicContact OE1-NH2 2.66Å; E151-R330 PolarHBondContact OE1-NH2 2.81Å
152	V	27.4	Very low	36.8	Very low	105 Å²	105	114 Å²	114	64%	0.636	58%	0.58	S	S	*	*			trans	-54	126.1	169.4	176.2	0	0	0	0	107.6	E150 R154	E150-V152 HydrophobicContact CB-CG2 4.23Å; E150-V152 PolarHBondContact O-N 2.97Å; V152-R154 PolarHBondContact O-N 3.32Å
153	V	30.7	Very low	39.7	Very low	66 Å²	66	107 Å²	107	40%	0.4	55%	0.546	S	S	.	.			trans	-42.3	108.7	164.3	-174.5	0	0	0	0	107.3	E151 T155 R316	E151-V153 PolarHBondContact O-N 2.81Å; V153-T155 PolarHBondContact O-N 3.11Å; V153-T155 PolarHBondContact O-OG1 3.22Å; V153-R316 HydrophobicContact CG2-CG 3.42Å; V153-R316 VanDerWaalsContact CG2-CG 3.42Å
154	R	36.2	Very low	42.6	Very low	164 Å²	164	101.5 Å²	101.5	62%	0.619	51%	0.511	S	S	*	.			trans	-71.5	83.9	175.1	-75.1	-172.5	-176.6	-172.6	3.2	106.6	V152 V156 S166 E167	V152-R154 PolarHBondContact O-N 3.32Å; R154-V156 VanDerWaalsContact C-N 3.3Å; R154-V156 WeakPolarHBondContact O-CG2 3.2Å; R154-V156 PolarHBondContact O-N 3.47Å; R154-S166 PolarHBondContact NH1-OG 3.44Å; R154-E167 IonicContact CZ-OE1 2.79Å; R154-E167 IonicContact NH1-OE1 2.74Å; R154-E167 PolarHBondContact NH1-OE1 3Å; R154-E167 IonicContact NH2-OE1 2.91Å; R154-E167 PolarHBondContact NH2-OE1 3.38Å
155	T	34.6	Very low	45.6	Very low	123 Å²	123	92.4 Å²	92.4	76%	0.755	47%	0.472	S	S	*	.			trans	-59.4	103.7	159.6	-11.7	0	0	0	0	104.8	V153 V157	V153-T155 PolarHBondContact O-N 3.11Å; V153-T155 PolarHBondContact O-OG1 3.22Å; T155-V157 PolarHBondContact O-N 3.3Å; T155-V157 VanDerWaalsContact O-N 3.09Å
156	V	44.2	Very low	48.6	Very low	69 Å²	69	85.7 Å²	85.7	42%	0.418	45%	0.445	S	S	.	.			trans	-70	112.1	-175.3	-170.1	0	0	0	0	106.6	R154 M158 P163	R154-V156 VanDerWaalsContact C-N 3.3Å; R154-V156 WeakPolarHBondContact O-CG2 3.2Å; R154-V156 PolarHBondContact O-N 3.47Å; V156-M158 PolarHBondContact O-N 3.08Å; V156-P163 HydrophobicContact CB-CB 4.29Å; V156-P163 HydrophobicContact CG1-CB 3.14Å; V156-P163 HydrophobicContact CG1-CG 3.69Å
157	V	40.7	Very low	51.6	Low	98 Å²	98	79.7 Å²	79.7	59%	0.594	42%	0.417	S	S	*	.			trans	-60.4	112.6	176.3	179.2	0	0	0	0	107.5	T155	T155-V157 PolarHBondContact O-N 3.3Å; T155-V157 VanDerWaalsContact O-N 3.09Å
158	M	52.9	Low	54.8	Low	16 Å²	16	72.4 Å²	72.4	8%	0.079	38%	0.38	C	S	.	.			trans	-100	122.5	-174.8	-155.2	152.7	178.7	0	0	109.4	V156 Y278 N281	V156-M158 PolarHBondContact O-N 3.08Å; M158-Y278 WeakPolarHBondContact CE-O 3.33Å; M158-N281 HydrophobicContact CE-CB 3.49Å; M158-N281 VanDerWaalsContact CE-CB 3.49Å; M158-N281 HydrophobicContact CG-CB 4.49Å; M158-N281 HydrophobicContact SD-CB 3.25Å; M158-N281 WeakPolarHBondContact SD-CB 3.46Å; M158-N281 VanDerWaalsContact SD-CG 3.58Å; M158-N281 PolarHBondContact SD-ND2 2.81Å
159	K	54.7	Low	58	Low	80 Å²	80	72.4 Å²	72.4	35%	0.348	38%	0.38	S	S	.	.			trans	-131.5	117	169.5	-74.7	-176.9	168.3	-171.4	0	106.6	G173 H176 D210	K159-G173 PolarHBondContact NZ-O 3.18Å; K159-H176 HydrophobicContact CB-CB 4.09Å; K159-H176 WeakPolarHBondContact O-CB 3.48Å; K159-D210 IonicContact NZ-OD2 3.37Å; K159-D210 PolarHBondContact NZ-OD2 3.37Å
160	G	58.8	Low	61.2	Low	23 Å²	23	69.3 Å²	69.3	24%	0.237	37%	0.367	C	S	.	.	S	Bend	trans	80.7	-170.3	-172.5	0	0	0	0	0	114.3	A162	G160-A162 VanDerWaalsContact C-N 3.27Å; G160-A162 PolarHBondContact O-N 3.04Å
161	K	69.7	Low	64.3	Low	35 Å²	35	62.4 Å²	62.4	15%	0.152	34%	0.335	C	S	.	.	S	Bend	trans	-70.3	-13.7	-172.8	-61.7	-165.1	-176.1	-138.5	0	115.2	G181 N182 V184 Y278 E282	K161-G181 WeakPolarHBondContact CE-O 3.46Å; K161-G181 PolarHBondContact NZ-O 3.27Å; K161-N182 PolarHBondContact NZ-OD1 2.92Å; K161-V184 HydrophobicContact CB-CG2 3.6Å; K161-V184 HydrophobicContact CD-CG2 3.85Å; K161-V184 HydrophobicContact CG-CG2 4.32Å; K161-Y278 CarbonylContact O-C 3.57Å; K161-Y278 VanDerWaalsContact O-C 3.28Å; K161-Y278 WeakPolarHBondContact O-CB 3.17Å; K161-E282 WeakPolarHBondContact CE-OE1 3.18Å; K161-E282 IonicContact NZ-OE1 2.61Å; K161-E282 PolarHBondContact NZ-OE1 3.12Å
162	A	76.6	Confident	67.2	Low	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.316	C	S	.	.	S	Bend	trans	-145.3	145.3	175	0	0	0	0	0	110.1	G160 V177 V184 D186 Y278	G160-A162 VanDerWaalsContact C-N 3.27Å; G160-A162 PolarHBondContact O-N 3.04Å; A162-V177 HydrophobicContact CB-CB 4.1Å; A162-V177 HydrophobicContact CB-CG1 4.11Å; A162-V177 HydrophobicContact CB-CG2 4.16Å; A162-V177 WeakPolarHBondContact O-CB 3.44Å; A162-V177 VanDerWaalsContact O-CG2 3.26Å; A162-V177 WeakPolarHBondContact O-CG2 3.37Å; A162-V184 HydrophobicContact CB-CG1 3.74Å; A162-D186 HydrophobicContact CB-CB 4.21Å; A162-Y278 HydrophobicContact CB-CD2 3.87Å; A162-Y278 HydrophobicContact CB-CG 3.9Å
163	P	83.1	Confident	69.9	Low	15 Å²	15	55 Å²	55	10%	0.097	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-73.8	143.4	-179.2	29.5	-33.3	0	0	0	112.2	V156 D165 Q205 Y278	V156-P163 HydrophobicContact CB-CB 4.29Å; V156-P163 HydrophobicContact CG1-CB 3.14Å; V156-P163 HydrophobicContact CG1-CG 3.69Å; P163-D165 PolarHBondContact O-N 2.84Å; P163-Q205 PolarHBondContact O-NE2 3.36Å; P163-Y278 VanDerWaalsContact CD-CD1 3.44Å; P163-Y278 HydrophobicContact CG-CD1 4.14Å; P163-Y278 HydrophobicContact CG-CE1 4.04Å
164	V	86.8	Confident	72.8	Confident	7 Å²	7	58.5 Å²	58.5	4%	0.042	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-66.5	133.8	168.9	-179.2	0	0	0	0	109.2	S166 C168 A175 V177 L207	V164-S166 PolarHBondContact O-N 2.96Å; V164-S166 VanDerWaalsContact O-N 3.14Å; V164-C168 HydrophobicContact CG1-CB 4.37Å; V164-A175 VanDerWaalsContact CG2-O 3.32Å; V164-A175 WeakPolarHBondContact CG2-O 3.49Å; V164-V177 HydrophobicContact CG2-CG2 4.25Å; V164-L207 HydrophobicContact CB-CD2 4.49Å; V164-L207 HydrophobicContact CG1-CD1 4.07Å; V164-L207 HydrophobicContact CG1-CD2 4.08Å; V164-L207 HydrophobicContact CG2-CD2 3.97Å
165	D	87.4	Confident	75.4	Confident	14 Å²	14	50.8 Å²	50.8	8%	0.075	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-55.3	120.9	176.6	-177.1	26.3	0	0	0	111.5	P163 E167 C168 L203 W218 R220	P163-D165 PolarHBondContact O-N 2.84Å; D165-E167 PolarHBondContact O-N 2.8Å; D165-C168 VanDerWaalsContact O-CB 3.31Å; D165-C168 WeakPolarHBondContact O-CB 3.39Å; D165-C168 PolarHBondContact O-N 3.07Å; D165-L203 HydrophobicContact CB-CD2 3.78Å; D165-L203 WeakPolarHBondContact OD2-CD2 3.46Å; D165-W218 PolarHBondContact OD2-NE1 2.85Å; D165-R220 IonicContact OD1-CZ 2.7Å; D165-R220 IonicContact OD1-NE 3.24Å; D165-R220 IonicContact OD1-NH2 2.81Å; D165-R220 PolarHBondContact OD1-NH2 3.37Å; D165-R220 IonicContact OD2-CZ 2.72Å; D165-R220 IonicContact OD2-NE 3.61Å; D165-R220 PolarHBondContact OD2-NE 2.8Å; D165-R220 IonicContact OD2-NH2 3.84Å; D165-R220 PolarHBondContact OD2-NH2 2.65Å
166	S	86.3	Confident	78.1	Confident	40 Å²	40	47.3 Å²	47.3	28%	0.28	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-25.5	179.4	56.4	0	0	0	0	114.5	R154 V164 C168	R154-S166 PolarHBondContact NH1-OG 3.44Å; V164-S166 PolarHBondContact O-N 2.96Å; V164-S166 VanDerWaalsContact O-N 3.14Å; S166-C168 VanDerWaalsContact C-N 3.32Å
167	E	89.2	Confident	80.4	Confident	38 Å²	38	44 Å²	44	18%	0.178	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-13.4	176.5	-58.6	-59.1	141.9	0	0	113.3	R154 D165 K169 W218	R154-E167 IonicContact CZ-OE1 2.79Å; R154-E167 IonicContact NH1-OE1 2.74Å; R154-E167 PolarHBondContact NH1-OE1 3Å; R154-E167 IonicContact NH2-OE1 2.91Å; R154-E167 PolarHBondContact NH2-OE1 3.38Å; D165-E167 PolarHBondContact O-N 2.8Å; E167-K169 PolarHBondContact O-N 2.91Å; E167-W218 HydrophobicContact CB-CZ2 4.22Å
168	C	90.9	Very high	82.9	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.007	22%	0.218	C	C	.	.			trans	-81.7	61.7	173.5	-161.2	0	0	0	0	111.5	V164 D165 S166 A170 K171 L172 W218	V164-C168 HydrophobicContact CG1-CB 4.37Å; D165-C168 VanDerWaalsContact O-CB 3.31Å; D165-C168 WeakPolarHBondContact O-CB 3.39Å; D165-C168 PolarHBondContact O-N 3.07Å; S166-C168 VanDerWaalsContact C-N 3.32Å; C168-A170 PolarHBondContact O-N 3.27Å; C168-K171 PolarHBondContact O-N 2.56Å; C168-L172 PolarHBondContact O-N 3.26Å; C168-W218 HydrophobicContact CB-CD2 3.77Å; C168-W218 HydrophobicContact CB-CE3 4.14Å; C168-W218 HydrophobicContact CB-CG 4.16Å; C168-W218 HydrophobicContact CB-CH2 4.14Å; C168-W218 HydrophobicContact CB-CZ2 3.85Å; C168-W218 HydrophobicContact CB-CZ3 4.31Å
169	K	91.4	Very high	84.7	Confident	172 Å²	172	41.6 Å²	41.6	75%	0.748	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-28.1	-174.9	-61.5	-176.2	-178.6	-178.1	0	114.7	E167	E167-K169 PolarHBondContact O-N 2.91Å
170	A	91.1	Very high	86.2	Confident	62 Å²	62	41.2 Å²	41.2	51%	0.512	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-30.2	179.1	0	0	0	0	0	113.5	C168 L232	C168-A170 PolarHBondContact O-N 3.27Å; A170-L232 HydrophobicContact CB-CD2 4.09Å
171	K	90.8	Very high	87.4	Confident	20 Å²	20	42.9 Å²	42.9	9%	0.087	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	-14.4	-174.3	-64.1	-67.3	-178.2	171	0	113.1	C168 G173 K174 A175 L207 D209 S216 L232	C168-K171 PolarHBondContact O-N 2.56Å; K171-G173 PolarHBondContact O-N 2.79Å; K171-K174 PolarHBondContact O-N 3.33Å; K171-A175 HydrophobicContact CB-CB 4.01Å; K171-A175 HydrophobicContact CD-CB 4.16Å; K171-A175 PolarHBondContact O-N 2.88Å; K171-A175 VanDerWaalsContact O-N 3.09Å; K171-L207 HydrophobicContact CB-CD1 3.84Å; K171-L207 HydrophobicContact CG-CD1 4.03Å; K171-D209 VanDerWaalsContact CD-OD1 3.27Å; K171-D209 WeakPolarHBondContact CD-OD1 3.31Å; K171-D209 WeakPolarHBondContact CE-OD1 3.43Å; K171-D209 IonicContact NZ-OD1 2.77Å; K171-D209 PolarHBondContact NZ-OD1 2.88Å; K171-D209 IonicContact NZ-OD2 4Å; K171-D209 PolarHBondContact NZ-OD2 3.48Å; K171-S216 WeakPolarHBondContact CE-OG 3.48Å; K171-S216 PolarHBondContact NZ-OG 3.05Å; K171-L232 HydrophobicContact CG-CD1 4.38Å; K171-L232 HydrophobicContact CG-CD2 4.1Å
172	L	87.4	Confident	87.9	Confident	72 Å²	72	48 Å²	48	38%	0.377	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	123.6	177.2	-164.4	66.6	0	0	0	111.3	C168 K174	C168-L172 PolarHBondContact O-N 3.26Å; L172-K174 PolarHBondContact O-N 2.84Å
173	G	84.9	Confident	88.3	Confident	40 Å²	40	49.6 Å²	49.6	41%	0.412	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	-4.2	-177.9	0	0	0	0	0	115.9	K159 K171	K159-G173 PolarHBondContact NZ-O 3.18Å; K171-G173 PolarHBondContact O-N 2.79Å
174	K	90.4	Very high	88.6	Confident	140 Å²	140	50.3 Å²	50.3	61%	0.609	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.9	-7.7	-177.1	-60.8	178.3	-176.7	175.5	0	113.7	K171 L172 D210	K171-K174 PolarHBondContact O-N 3.33Å; L172-K174 PolarHBondContact O-N 2.84Å; K174-D210 PolarHBondContact O-N 3.16Å
175	A	91.7	Very high	88.9	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.008	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	166.2	-177.9	0	0	0	0	0	109	V164 K171 L207 E208 D210	V164-A175 VanDerWaalsContact CG2-O 3.32Å; V164-A175 WeakPolarHBondContact CG2-O 3.49Å; K171-A175 HydrophobicContact CB-CB 4.01Å; K171-A175 HydrophobicContact CD-CB 4.16Å; K171-A175 PolarHBondContact O-N 2.88Å; K171-A175 VanDerWaalsContact O-N 3.09Å; A175-L207 HydrophobicContact CB-CB 4.43Å; A175-E208 CarbonylContact C-O 3.49Å; A175-E208 WeakPolarHBondContact CA-O 3.37Å; A175-E208 WeakPolarHBondContact CB-O 3.39Å; A175-D210 VanDerWaalsContact C-OD1 3.28Å; A175-D210 WeakPolarHBondContact CA-OD1 3.35Å
176	H	90.9	Very high	89.1	Confident	50 Å²	50	50.3 Å²	50.3	23%	0.231	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	161.4	172.1	56.1	-80.1	0	0	0	110.2	K159 Y178 L207 E208 D210	K159-H176 HydrophobicContact CB-CB 4.09Å; K159-H176 WeakPolarHBondContact O-CB 3.48Å; H176-Y178 PolarHBondContact O-N 2.98Å; H176-L207 WeakPolarHBondContact O-CA 3.26Å; H176-E208 PolarHBondContact N-O 3.14Å; H176-E208 PolarHBondContact ND1-O 2.81Å; H176-E208 IonicContact NE2-OE2 2.56Å; H176-E208 PolarHBondContact O-N 3.08Å; H176-D210 IonicContact CE1-OD1 3.26Å; H176-D210 IonicContact CG-OD1 3.75Å; H176-D210 PolarHBondContact N-OD1 3.08Å; H176-D210 IonicContact ND1-OD1 3.06Å; H176-D210 PolarHBondContact ND1-OD1 2.89Å
177	V	92	Very high	89.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	127.7	172.5	177.7	0	0	0	0	108.7	A162 V164 V184 D186 Q205 L207	A162-V177 HydrophobicContact CB-CB 4.1Å; A162-V177 HydrophobicContact CB-CG1 4.11Å; A162-V177 HydrophobicContact CB-CG2 4.16Å; A162-V177 WeakPolarHBondContact O-CB 3.44Å; A162-V177 VanDerWaalsContact O-CG2 3.26Å; A162-V177 WeakPolarHBondContact O-CG2 3.37Å; V164-V177 HydrophobicContact CG2-CG2 4.25Å; V177-V184 HydrophobicContact CG1-CG1 3.87Å; V177-D186 HydrophobicContact CG1-CB 3.98Å; V177-Q205 HydrophobicContact CG2-CG 4.5Å; V177-L207 HydrophobicContact CG2-CD2 3.91Å
178	Y	93.5	Very high	89.4	Confident	25 Å²	25	47.3 Å²	47.3	10%	0.098	27%	0.267	C	S	.	.			trans	-68.1	140.4	-179.3	-178.2	-99.3	0	0	0	111.7	H176 E180 Y185 L206 E208 Y215 L239	H176-Y178 PolarHBondContact O-N 2.98Å; Y178-E180 HydrophobicContact CD1-CG 4.35Å; Y178-E180 HydrophobicContact CE1-CG 3.33Å; Y178-E180 WeakPolarHBondContact OH-CG 3.12Å; Y178-E180 PolarHBondContact OH-OE1 3.23Å; Y178-Y185 AromaticContact CD1-CD2 3.83Å; Y178-Y185 HydrophobicContact CD1-CD2 3.83Å; Y178-Y185 HydrophobicContact CD1-CE2 4.26Å; Y178-Y185 HydrophobicContact CD1-CG 4.18Å; Y178-Y185 HydrophobicContact CE1-CD2 4.22Å; Y178-Y185 HydrophobicContact CE1-CE2 4.19Å; Y178-Y185 PolarHBondContact O-N 3.44Å; Y178-L206 VanDerWaalsContact CB-CD2 3.47Å; Y178-L206 HydrophobicContact CD1-CD1 4.35Å; Y178-L206 HydrophobicContact CD1-CD2 4.13Å; Y178-L206 HydrophobicContact CG-CD2 3.81Å; Y178-L206 PolarHBondContact N-O 2.96Å; Y178-E208 HydrophobicContact CD2-CB 4.34Å; Y178-E208 WeakPolarHBondContact CD2-OE2 3.35Å; Y178-Y215 HydrophobicContact CD2-CD1 4.45Å; Y178-Y215 HydrophobicContact CD2-CE1 4.02Å; Y178-Y215 HydrophobicContact CE2-CE1 4.1Å; Y178-L239 HydrophobicContact CD1-CD1 4.29Å; Y178-L239 HydrophobicContact CD2-CD1 4.3Å; Y178-L239 HydrophobicContact CE1-CD1 3.88Å; Y178-L239 HydrophobicContact CE2-CD1 3.9Å; Y178-L239 HydrophobicContact CE2-CD2 4.2Å; Y178-L239 HydrophobicContact CG-CD1 4.5Å; Y178-L239 VanDerWaalsContact OH-CD2 3.27Å; Y178-L239 WeakPolarHBondContact OH-CD2 3.32Å
179	S	90.2	Very high	89.5	Confident	38 Å²	38	47.3 Å²	47.3	27%	0.266	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	150.5	175.8	62.4	0	0	0	0	112.3	D183	S179-D183 CarbonylContact C-O 3.58Å; S179-D183 VanDerWaalsContact CA-O 3.22Å; S179-D183 WeakPolarHBondContact CA-O 3.15Å
180	E	88	Confident	89.5	Confident	73 Å²	73	39.2 Å²	39.2	34%	0.341	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	97.4	175.4	-55.3	-162.5	124.5	0	0	110	Y178 N182 D183 Y185 K243	Y178-E180 HydrophobicContact CD1-CG 4.35Å; Y178-E180 HydrophobicContact CE1-CG 3.33Å; Y178-E180 WeakPolarHBondContact OH-CG 3.12Å; Y178-E180 PolarHBondContact OH-OE1 3.23Å; E180-N182 PolarHBondContact O-N 2.84Å; E180-D183 HydrophobicContact CB-CB 4.49Å; E180-D183 PolarHBondContact N-O 3.04Å; E180-D183 PolarHBondContact O-N 3.04Å; E180-Y185 HydrophobicContact CG-CE2 4.01Å; E180-Y185 PolarHBondContact OE2-OH 3.46Å; E180-K243 VanDerWaalsContact OE1-CE 3.24Å; E180-K243 WeakPolarHBondContact OE1-CE 3.5Å; E180-K243 IonicContact OE1-NZ 3.54Å; E180-K243 PolarHBondContact OE1-NZ 3.06Å; E180-K243 WeakPolarHBondContact OE2-CE 3.28Å; E180-K243 IonicContact OE2-NZ 3.55Å; E180-K243 PolarHBondContact OE2-NZ 3.45Å
181	G	84.1	Confident	89.5	Confident	58 Å²	58	37.7 Å²	37.7	60%	0.598	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	-110.4	-169.1	0	0	0	0	0	110	K161	K161-G181 WeakPolarHBondContact CE-O 3.46Å; K161-G181 PolarHBondContact NZ-O 3.27Å
182	N	78.8	Confident	89.5	Confident	141 Å²	141	37.1 Å²	37.1	75%	0.754	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-3.2	176.7	-68.4	-14.1	0	0	0	113.6	K161 E180 V184	K161-N182 PolarHBondContact NZ-OD1 2.92Å; E180-N182 PolarHBondContact O-N 2.84Å; N182-V184 PolarHBondContact O-N 3.28Å
183	D	84.8	Confident	89.5	Confident	35 Å²	35	35.4 Å²	35.4	19%	0.187	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	97.7	177.2	-167.7	-11.5	0	0	0	110.3	S179 E180 R261	S179-D183 CarbonylContact C-O 3.58Å; S179-D183 VanDerWaalsContact CA-O 3.22Å; S179-D183 WeakPolarHBondContact CA-O 3.15Å; E180-D183 HydrophobicContact CB-CB 4.49Å; E180-D183 PolarHBondContact N-O 3.04Å; E180-D183 PolarHBondContact O-N 3.04Å; D183-R261 IonicContact OD1-CZ 2.93Å; D183-R261 VanDerWaalsContact OD1-CZ 3.24Å; D183-R261 IonicContact OD1-NH1 2.61Å; D183-R261 PolarHBondContact OD1-NH1 2.93Å; D183-R261 IonicContact OD1-NH2 3.28Å; D183-R261 PolarHBondContact OD1-NH2 3.39Å; D183-R261 IonicContact OD2-CZ 3.55Å; D183-R261 IonicContact OD2-NH1 3.3Å; D183-R261 PolarHBondContact OD2-NH1 3.18Å; D183-R261 IonicContact OD2-NH2 3.61Å; D183-R261 PolarHBondContact OD2-NH2 3.22Å
184	V	89.7	Confident	89.6	Confident	30 Å²	30	34.1 Å²	34.1	18%	0.182	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	124.5	177.4	-173.9	0	0	0	0	109.8	K161 A162 V177 N182 D186 W258	K161-V184 HydrophobicContact CB-CG2 3.6Å; K161-V184 HydrophobicContact CD-CG2 3.85Å; K161-V184 HydrophobicContact CG-CG2 4.32Å; A162-V184 HydrophobicContact CB-CG1 3.74Å; V177-V184 HydrophobicContact CG1-CG1 3.87Å; N182-V184 PolarHBondContact O-N 3.28Å; V184-D186 HydrophobicContact CG1-CB 4.14Å; V184-D186 PolarHBondContact O-N 2.87Å; V184-W258 WeakPolarHBondContact O-CZ2 3.23Å
185	Y	93.4	Very high	89.4	Confident	3 Å²	3	33 Å²	33	1%	0.012	18%	0.184	C	C	.	.			trans	-85.6	60.1	-179.6	-76.7	-113.2	0	0	0	110.9	Y178 E180 L206 K243 F246 W258	Y178-Y185 AromaticContact CD1-CD2 3.83Å; Y178-Y185 HydrophobicContact CD1-CD2 3.83Å; Y178-Y185 HydrophobicContact CD1-CE2 4.26Å; Y178-Y185 HydrophobicContact CD1-CG 4.18Å; Y178-Y185 HydrophobicContact CE1-CD2 4.22Å; Y178-Y185 HydrophobicContact CE1-CE2 4.19Å; Y178-Y185 PolarHBondContact O-N 3.44Å; E180-Y185 HydrophobicContact CG-CE2 4.01Å; E180-Y185 PolarHBondContact OE2-OH 3.46Å; Y185-L206 HydrophobicContact CD1-CB 4.45Å; Y185-L206 HydrophobicContact CD1-CD1 3.8Å; Y185-L206 HydrophobicContact CE1-CD1 4.39Å; Y185-L206 HydrophobicContact CG-CB 4.36Å; Y185-L206 HydrophobicContact CG-CD1 4.24Å; Y185-L206 PolarHBondContact O-N 2.75Å; Y185-K243 HydrophobicContact CE1-CB 4.3Å; Y185-K243 HydrophobicContact CE1-CD 4.26Å; Y185-K243 HydrophobicContact CE1-CG 3.81Å; Y185-F246 AromaticContact CD1-CD1 3.88Å; Y185-F246 HydrophobicContact CD1-CD1 3.88Å; Y185-F246 HydrophobicContact CD1-CE1 4.12Å; Y185-F246 HydrophobicContact CD1-CG 4.12Å; Y185-F246 HydrophobicContact CE1-CD1 4.48Å; Y185-F246 VanDerWaalsContact O-CE2 3.28Å; Y185-F246 WeakPolarHBondContact O-CE2 3.48Å; Y185-W258 AromaticContact CE1-NE1 3.8Å; Y185-W258 AromaticContact CZ-NE1 3.9Å
186	D	91.5	Very high	89	Confident	18 Å²	18	39.7 Å²	39.7	10%	0.096	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.1	172.1	173.8	77.4	0	0	0	108.8	A162 V177 V184 Q205 Y278	A162-D186 HydrophobicContact CB-CB 4.21Å; V177-D186 HydrophobicContact CG1-CB 3.98Å; V184-D186 HydrophobicContact CG1-CB 4.14Å; V184-D186 PolarHBondContact O-N 2.87Å; D186-Q205 HydrophobicContact CB-CG 4.33Å; D186-Q205 WeakPolarHBondContact OD1-CG 3.42Å; D186-Q205 PolarHBondContact OD1-NE2 3.1Å; D186-Y278 WeakPolarHBondContact OD2-CE2 3.38Å
187	V	91.6	Very high	88.9	Confident	5 Å²	5	39.6 Å²	39.6	3%	0.03	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	129	175.4	62.4	0	0	0	0	112.7	L189 L203 I204 F246 F250 W258 L273	V187-L189 HydrophobicContact CG2-CD2 3.57Å; V187-L189 HydrophobicContact CG2-CG 4.08Å; V187-L203 WeakPolarHBondContact O-CA 3.24Å; V187-L203 WeakPolarHBondContact O-CD1 3.15Å; V187-I204 HydrophobicContact CG1-CB 3.75Å; V187-I204 HydrophobicContact CG1-CD1 4.13Å; V187-I204 HydrophobicContact CG1-CG1 4.05Å; V187-I204 PolarHBondContact N-O 2.65Å; V187-I204 PolarHBondContact O-N 3.05Å; V187-F246 HydrophobicContact CB-CZ 4.46Å; V187-F246 HydrophobicContact CG1-CE1 4.48Å; V187-F246 HydrophobicContact CG1-CE2 4.36Å; V187-F246 HydrophobicContact CG1-CZ 3.76Å; V187-F250 HydrophobicContact CG1-CD2 4.14Å; V187-F250 HydrophobicContact CG2-CD2 4.33Å; V187-F250 HydrophobicContact CG2-CE2 4.07Å; V187-W258 HydrophobicContact CB-CH2 4.35Å; V187-W258 HydrophobicContact CB-CZ3 3.92Å; V187-W258 HydrophobicContact CG1-CZ3 4.22Å; V187-W258 HydrophobicContact CG2-CZ3 4.35Å; V187-L273 HydrophobicContact CG2-CD1 3.23Å
188	M	90.7	Very high	88.6	Confident	10 Å²	10	41.5 Å²	41.5	5%	0.049	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.7	167.8	-172.5	61.7	70.3	0	0	110.1	Y201 L203 V274 M276 K331	M188-Y201 HydrophobicContact SD-CD2 4.09Å; M188-L203 HydrophobicContact CE-CB 4.01Å; M188-L203 HydrophobicContact CE-CD1 3.9Å; M188-L203 HydrophobicContact CE-CD2 4.38Å; M188-L203 HydrophobicContact CE-CG 4.32Å; M188-L203 HydrophobicContact SD-CB 4.17Å; M188-V274 HydrophobicContact CB-CB 4.44Å; M188-V274 HydrophobicContact CG-CB 4.44Å; M188-V274 PolarHBondContact O-N 2.81Å; M188-M276 HydrophobicContact CB-CE 4.14Å; M188-M276 HydrophobicContact CG-CE 4.12Å; M188-K331 HydrophobicContact CE-CB 4.36Å
189	L	92.6	Very high	88.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	142.5	177.4	-54.9	178.2	0	0	0	110.6	V187 Y201 Y202 I204 F250 K253 T254 Y271 D272 L273	V187-L189 HydrophobicContact CG2-CD2 3.57Å; V187-L189 HydrophobicContact CG2-CG 4.08Å; L189-Y201 CarbonylContact O-C 3.51Å; L189-Y201 WeakPolarHBondContact O-CA 3.46Å; L189-Y201 WeakPolarHBondContact O-CB 3.26Å; L189-Y202 VanDerWaalsContact CB-O 3.28Å; L189-Y202 WeakPolarHBondContact CB-O 3.42Å; L189-Y202 PolarHBondContact N-O 3.39Å; L189-Y202 PolarHBondContact O-N 3.42Å; L189-I204 HydrophobicContact CD1-CD1 4.45Å; L189-F250 HydrophobicContact CD2-CD2 4.48Å; L189-F250 HydrophobicContact CD2-CE2 4.14Å; L189-K253 HydrophobicContact CD1-CB 3.87Å; L189-T254 HydrophobicContact CD1-CG2 3.67Å; L189-T254 HydrophobicContact CD2-CG2 3.72Å; L189-T254 HydrophobicContact CG-CG2 4.36Å; L189-Y271 HydrophobicContact CB-CD1 3.95Å; L189-Y271 HydrophobicContact CB-CG 4.23Å; L189-D272 CarbonylContact C-O 3.48Å; L189-D272 VanDerWaalsContact CA-O 3.23Å; L189-D272 WeakPolarHBondContact CA-O 3.39Å; L189-L273 HydrophobicContact CD2-CD1 3.88Å
190	N	91.8	Very high	88.4	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	149.8	178	-166.5	36.8	0	0	0	111.7	K200 D272 V274 Y373 T374	N190-K200 CarbonylContact C-O 3.59Å; N190-K200 PolarHBondContact OD1-O 2.78Å; N190-D272 PolarHBondContact N-O 3.43Å; N190-D272 PolarHBondContact O-N 3.37Å; N190-V274 HydrophobicContact CB-CG2 3.65Å; N190-Y373 PolarHBondContact ND2-O 2.91Å; N190-T374 WeakPolarHBondContact CB-O 3.46Å; N190-T374 WeakPolarHBondContact ND2-CA 3.36Å; N190-T374 PolarHBondContact ND2-O 2.75Å; N190-T374 WeakPolarHBondContact O-CG2 3.49Å
191	Q	91.9	Very high	88.5	Confident	30 Å²	30	39 Å²	39	14%	0.14	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	119.6	176.9	-177.4	179.1	50.2	0	0	110.3	K200 G269 K270 Y271	Q191-K200 PolarHBondContact N-O 2.96Å; Q191-K200 PolarHBondContact O-N 3.46Å; Q191-G269 PolarHBondContact NE2-O 3Å; Q191-K270 PolarHBondContact NE2-O 3.46Å; Q191-K270 VanDerWaalsContact NE2-O 3.12Å; Q191-Y271 HydrophobicContact CB-CD1 3.7Å; Q191-Y271 HydrophobicContact CB-CE1 3.92Å; Q191-Y271 HydrophobicContact CB-CG 4.05Å
192	T	89.8	Confident	89	Confident	8 Å²	8	36.8 Å²	36.8	5%	0.049	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.4	172.8	-49.1	0	0	0	0	111.2	L194 N198 N199 Y373 T374 P385	T192-L194 HydrophobicContact CG2-CD1 3.81Å; T192-N198 CarbonylContact C-O 3.57Å; T192-N198 VanDerWaalsContact CA-O 3.28Å; T192-N198 WeakPolarHBondContact CA-O 3.21Å; T192-N199 HydrophobicContact CG2-CB 4.48Å; T192-N199 PolarHBondContact OG1-OD1 3.29Å; T192-Y373 PolarHBondContact OG1-O 3.37Å; T192-T374 WeakPolarHBondContact CB-OG1 3.42Å; T192-T374 PolarHBondContact N-OG1 3.05Å; T192-P385 HydrophobicContact CG2-CB 4.49Å; T192-P385 HydrophobicContact CG2-CG 3.97Å
193	N	88.4	Confident	89.7	Confident	36 Å²	36	30.3 Å²	30.3	19%	0.193	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	105.6	168.7	-175.4	-38.5	0	0	0	109	Q195 F196 N197 N198 N370	N193-Q195 VanDerWaalsContact C-N 3.32Å; N193-Q195 PolarHBondContact O-N 3.14Å; N193-Q195 VanDerWaalsContact OD1-CB 3.29Å; N193-Q195 WeakPolarHBondContact OD1-CB 3.46Å; N193-Q195 PolarHBondContact OD1-N 2.92Å; N193-F196 PolarHBondContact O-N 3.01Å; N193-F196 PolarHBondContact OD1-N 2.95Å; N193-N197 PolarHBondContact O-N 3.1Å; N193-N198 HydrophobicContact CB-CB 4.15Å; N193-N198 PolarHBondContact N-O 2.96Å; N193-N198 PolarHBondContact O-N 3.26Å; N193-N370 VanDerWaalsContact CA-OD1 3.29Å; N193-N370 WeakPolarHBondContact CA-OD1 3.48Å
194	L	86.8	Confident	90.2	Very high	12 Å²	12	28.6 Å²	28.6	6%	0.063	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-61.3	-36.7	-179.2	-89.5	71.2	0	0	0	112.3	T192 F196 N197 L366 C369 N370 Y373 T384 P385 M387	T192-L194 HydrophobicContact CG2-CD1 3.81Å; L194-F196 PolarHBondContact O-N 2.91Å; L194-N197 PolarHBondContact O-N 2.76Å; L194-L366 HydrophobicContact CB-CD1 3.49Å; L194-L366 VanDerWaalsContact CB-CD1 3.49Å; L194-L366 HydrophobicContact CD2-CD1 3.94Å; L194-L366 HydrophobicContact CG-CD1 4.32Å; L194-C369 HydrophobicContact CD2-CB 4.08Å; L194-N370 WeakPolarHBondContact CD1-OD1 3.39Å; L194-N370 PolarHBondContact N-OD1 2.85Å; L194-Y373 HydrophobicContact CD1-CD2 3.8Å; L194-Y373 HydrophobicContact CD1-CE2 4.27Å; L194-T384 VanDerWaalsContact O-CG2 3.3Å; L194-T384 WeakPolarHBondContact O-CG2 3.34Å; L194-P385 HydrophobicContact CD1-CB 3.83Å; L194-P385 HydrophobicContact CD1-CG 4.31Å; L194-P385 WeakPolarHBondContact CD2-O 3.27Å; L194-P385 HydrophobicContact CG-CB 3.98Å; L194-P385 WeakPolarHBondContact CG-O 3.44Å; L194-M387 HydrophobicContact CD2-CB 4.32Å
195	Q	85.1	Confident	90.4	Very high	118 Å²	118	27.5 Å²	27.5	55%	0.551	13%	0.131	S	C	*	.	G	3₁₀ helix	trans	-60.4	-36.7	-177.4	-64.4	176.6	-31.6	0	0	112.3	N193 L366	N193-Q195 VanDerWaalsContact C-N 3.32Å; N193-Q195 PolarHBondContact O-N 3.14Å; N193-Q195 VanDerWaalsContact OD1-CB 3.29Å; N193-Q195 WeakPolarHBondContact OD1-CB 3.46Å; N193-Q195 PolarHBondContact OD1-N 2.92Å; Q195-L366 HydrophobicContact CG-CD1 4.49Å; Q195-L366 HydrophobicContact CG-CD2 3.39Å; Q195-L366 HydrophobicContact CG-CG 4.27Å
196	F	84.6	Confident	90.6	Very high	141 Å²	141	27.3 Å²	27.3	62%	0.618	13%	0.13	S	C	*	.	G	3₁₀ helix	trans	-110.4	13.6	-176	-56	-65.7	0	0	0	112.5	N193 L194 N198	N193-F196 PolarHBondContact O-N 3.01Å; N193-F196 PolarHBondContact OD1-N 2.95Å; L194-F196 PolarHBondContact O-N 2.91Å; F196-N198 WeakPolarHBondContact CB-ND2 3.32Å; F196-N198 PolarHBondContact O-N 2.84Å; F196-N198 VanDerWaalsContact O-N 3.1Å
197	N	87	Confident	90.8	Very high	47 Å²	47	26.5 Å²	26.5	25%	0.251	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	40.1	-174.2	-172.2	4.3	0	0	0	112.5	N193 L194 R223 L382 K383 T384	N193-N197 PolarHBondContact O-N 3.1Å; L194-N197 PolarHBondContact O-N 2.76Å; N197-R223 PolarHBondContact O-NH1 2.83Å; N197-R223 PolarHBondContact OD1-NH1 3.2Å; N197-R223 PolarHBondContact OD1-NH2 3.41Å; N197-L382 PolarHBondContact ND2-O 3.13Å; N197-L382 VanDerWaalsContact ND2-O 3.16Å; N197-K383 PolarHBondContact OD1-O 3.02Å; N197-T384 HydrophobicContact CB-CG2 4.28Å; N197-T384 PolarHBondContact ND2-OG1 2.96Å; N197-T384 WeakPolarHBondContact OD1-CA 3.48Å
198	N	85.8	Confident	91	Very high	41 Å²	41	27.7 Å²	27.7	22%	0.219	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	119.7	172.8	-69.7	-45.2	0	0	0	107.7	T192 N193 F196 K200	T192-N198 CarbonylContact C-O 3.57Å; T192-N198 VanDerWaalsContact CA-O 3.28Å; T192-N198 WeakPolarHBondContact CA-O 3.21Å; N193-N198 HydrophobicContact CB-CB 4.15Å; N193-N198 PolarHBondContact N-O 2.96Å; N193-N198 PolarHBondContact O-N 3.26Å; F196-N198 WeakPolarHBondContact CB-ND2 3.32Å; F196-N198 PolarHBondContact O-N 2.84Å; F196-N198 VanDerWaalsContact O-N 3.1Å; N198-K200 WeakPolarHBondContact OD1-CE 3.34Å; N198-K200 PolarHBondContact OD1-NZ 2.89Å
199	N	89	Confident	91.1	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	87.7	170	-167.5	26.4	0	0	0	106.6	T192 R223 V224 H378 P385	T192-N199 HydrophobicContact CG2-CB 4.48Å; T192-N199 PolarHBondContact OG1-OD1 3.29Å; N199-R223 WeakPolarHBondContact O-CA 3.38Å; N199-R223 WeakPolarHBondContact O-CG 3.35Å; N199-V224 VanDerWaalsContact C-CG2 3.47Å; N199-V224 HydrophobicContact CB-CG2 4.36Å; N199-V224 WeakPolarHBondContact O-CG2 3.36Å; N199-V224 PolarHBondContact O-N 3.33Å; N199-V224 WeakPolarHBondContact OD1-CG2 3.39Å; N199-H378 PolarHBondContact ND2-O 3.41Å; N199-P385 HydrophobicContact CB-CG 4.11Å
200	K	90.4	Very high	91	Very high	80 Å²	80	32.3 Å²	32.3	35%	0.348	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	149.4	-161.1	-63.2	178.2	-175.6	168.2	0	111.6	N190 Q191 N198 G222 Y271	N190-K200 CarbonylContact C-O 3.59Å; N190-K200 PolarHBondContact OD1-O 2.78Å; Q191-K200 PolarHBondContact N-O 2.96Å; Q191-K200 PolarHBondContact O-N 3.46Å; N198-K200 WeakPolarHBondContact OD1-CE 3.34Å; N198-K200 PolarHBondContact OD1-NZ 2.89Å; K200-G222 CarbonylContact C-O 3.53Å; K200-G222 WeakPolarHBondContact CA-O 3.32Å; K200-Y271 HydrophobicContact CB-CE1 4.26Å
201	Y	91.9	Very high	90.8	Very high	1 Å²	1	36 Å²	36	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	163.7	170.7	69.4	-69.1	0	0	0	113.2	M188 L189 R220 W221 G222 R223 K226 G228 K331	M188-Y201 HydrophobicContact SD-CD2 4.09Å; L189-Y201 CarbonylContact O-C 3.51Å; L189-Y201 WeakPolarHBondContact O-CA 3.46Å; L189-Y201 WeakPolarHBondContact O-CB 3.26Å; Y201-R220 HydrophobicContact CE2-CG 4.03Å; Y201-R220 PolarHBondContact OH-NH1 3.48Å; Y201-W221 VanDerWaalsContact O-CA 3.28Å; Y201-W221 WeakPolarHBondContact O-CA 3.5Å; Y201-W221 VanDerWaalsContact O-CB 3.32Å; Y201-W221 WeakPolarHBondContact O-CB 3.45Å; Y201-G222 WeakPolarHBondContact CD1-O 3.45Å; Y201-G222 PolarHBondContact N-O 3.26Å; Y201-G222 PolarHBondContact O-N 3.45Å; Y201-R223 WeakPolarHBondContact CE1-O 3.44Å; Y201-K226 PolarHBondContact OH-O 3.21Å; Y201-G228 WeakPolarHBondContact OH-CA 3.38Å; Y201-G228 PolarHBondContact OH-N 3.32Å; Y201-K331 HydrophobicContact CD1-CD 4.23Å; Y201-K331 HydrophobicContact CD2-CD 4.3Å; Y201-K331 HydrophobicContact CG-CD 3.9Å
202	Y	93.3	Very high	90.6	Very high	13 Å²	13	37.3 Å²	37.3	5%	0.051	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	113.5	170.3	-149.7	-76	0	0	0	109.5	L189 I204 M219 R220 W221 K249 K253	L189-Y202 VanDerWaalsContact CB-O 3.28Å; L189-Y202 WeakPolarHBondContact CB-O 3.42Å; L189-Y202 PolarHBondContact N-O 3.39Å; L189-Y202 PolarHBondContact O-N 3.42Å; Y202-I204 HydrophobicContact CD1-CD1 4.02Å; Y202-I204 HydrophobicContact CD1-CG1 3.58Å; Y202-I204 HydrophobicContact CE1-CD1 4.13Å; Y202-I204 HydrophobicContact CE1-CG1 3.76Å; Y202-M219 HydrophobicContact CE1-CB 4.08Å; Y202-M219 HydrophobicContact CE1-CG 4.21Å; Y202-M219 HydrophobicContact CE1-SD 4.35Å; Y202-R220 CarbonylContact C-O 3.45Å; Y202-R220 WeakPolarHBondContact CA-O 3.06Å; Y202-W221 HydrophobicContact CD2-CB 3.3Å; Y202-W221 HydrophobicContact CD2-CD2 4.4Å; Y202-W221 AromaticContact CD2-CG 3.9Å; Y202-W221 HydrophobicContact CD2-CG 3.9Å; Y202-W221 HydrophobicContact CE1-CE3 4.38Å; Y202-W221 HydrophobicContact CE2-CB 3.53Å; Y202-W221 AromaticContact CE2-CD2 3.67Å; Y202-W221 HydrophobicContact CE2-CD2 3.67Å; Y202-W221 AromaticContact CE2-CE3 3.7Å; Y202-W221 HydrophobicContact CE2-CE3 3.7Å; Y202-W221 AromaticContact CE2-CG 3.61Å; Y202-W221 HydrophobicContact CE2-CG 3.61Å; Y202-W221 HydrophobicContact CG-CB 3.96Å; Y202-W221 AromaticContact CZ-CE3 3.59Å; Y202-K249 HydrophobicContact CE1-CD 4.26Å; Y202-K249 HydrophobicContact CE1-CG 3.92Å; Y202-K253 HydrophobicContact CD1-CG 4.44Å; Y202-K253 HydrophobicContact CD2-CD 4.37Å; Y202-K253 HydrophobicContact CD2-CG 4.43Å; Y202-K253 HydrophobicContact CE2-CD 4.43Å; Y202-K253 HydrophobicContact CG-CG 4.36Å
203	L	93.1	Very high	90.7	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	137.8	170.5	173.5	63.4	0	0	0	109.1	D165 V187 M188 Q205 M219 R220	D165-L203 HydrophobicContact CB-CD2 3.78Å; D165-L203 WeakPolarHBondContact OD2-CD2 3.46Å; V187-L203 WeakPolarHBondContact O-CA 3.24Å; V187-L203 WeakPolarHBondContact O-CD1 3.15Å; M188-L203 HydrophobicContact CE-CB 4.01Å; M188-L203 HydrophobicContact CE-CD1 3.9Å; M188-L203 HydrophobicContact CE-CD2 4.38Å; M188-L203 HydrophobicContact CE-CG 4.32Å; M188-L203 HydrophobicContact SD-CB 4.17Å; L203-Q205 HydrophobicContact CD1-CG 4.12Å; L203-Q205 HydrophobicContact CG-CG 4.43Å; L203-M219 VanDerWaalsContact O-CA 3.29Å; L203-M219 WeakPolarHBondContact O-CA 3.32Å; L203-R220 HydrophobicContact CB-CB 4.36Å; L203-R220 PolarHBondContact N-O 3.23Å; L203-R220 PolarHBondContact O-N 2.97Å
204	I	95.3	Very high	91	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	127.9	172	-42.3	176.1	0	0	0	108	V187 L189 Y202 V217 W218 M219 F246 K249 F250	V187-I204 HydrophobicContact CG1-CB 3.75Å; V187-I204 HydrophobicContact CG1-CD1 4.13Å; V187-I204 HydrophobicContact CG1-CG1 4.05Å; V187-I204 PolarHBondContact N-O 2.65Å; V187-I204 PolarHBondContact O-N 3.05Å; L189-I204 HydrophobicContact CD1-CD1 4.45Å; Y202-I204 HydrophobicContact CD1-CD1 4.02Å; Y202-I204 HydrophobicContact CD1-CG1 3.58Å; Y202-I204 HydrophobicContact CE1-CD1 4.13Å; Y202-I204 HydrophobicContact CE1-CG1 3.76Å; I204-V217 HydrophobicContact CG2-CG1 4Å; I204-W218 CarbonylContact C-O 3.47Å; I204-W218 WeakPolarHBondContact CA-O 3.47Å; I204-M219 HydrophobicContact CG2-CE 4.42Å; I204-M219 HydrophobicContact CG2-CG 4.14Å; I204-F246 HydrophobicContact CB-CD2 4.26Å; I204-F246 HydrophobicContact CB-CE2 3.91Å; I204-F246 HydrophobicContact CB-CZ 4.47Å; I204-F246 HydrophobicContact CG2-CD2 3.39Å; I204-F246 HydrophobicContact CG2-CE2 3.56Å; I204-F246 HydrophobicContact CG2-CG 4.12Å; I204-F246 HydrophobicContact CG2-CZ 4.39Å; I204-K249 HydrophobicContact CD1-CB 4.06Å; I204-K249 HydrophobicContact CD1-CG 3.73Å; I204-K249 HydrophobicContact CG1-CG 4.49Å; I204-F250 HydrophobicContact CD1-CB 4.46Å
205	Q	95.1	Very high	91.5	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.028	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.6	176.2	-78.3	-174.4	-27.2	0	0	110.4	P163 V177 D186 L203 L207 V217 W218	P163-Q205 PolarHBondContact O-NE2 3.36Å; V177-Q205 HydrophobicContact CG2-CG 4.5Å; D186-Q205 HydrophobicContact CB-CG 4.33Å; D186-Q205 WeakPolarHBondContact OD1-CG 3.42Å; D186-Q205 PolarHBondContact OD1-NE2 3.1Å; L203-Q205 HydrophobicContact CD1-CG 4.12Å; L203-Q205 HydrophobicContact CG-CG 4.43Å; Q205-L207 HydrophobicContact CB-CD2 3.96Å; Q205-L207 HydrophobicContact CB-CG 4.36Å; Q205-V217 CarbonylContact O-C 3.56Å; Q205-V217 WeakPolarHBondContact O-CA 3.31Å; Q205-W218 HydrophobicContact CB-CB 4.2Å; Q205-W218 PolarHBondContact N-O 2.96Å; Q205-W218 PolarHBondContact O-N 2.9Å
206	L	96.8	Very high	92.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121.8	163.3	-158.7	164.9	0	0	0	107.6	Y178 Y185 Y215 V217 L239 A242 K243 F246	Y178-L206 VanDerWaalsContact CB-CD2 3.47Å; Y178-L206 HydrophobicContact CD1-CD1 4.35Å; Y178-L206 HydrophobicContact CD1-CD2 4.13Å; Y178-L206 HydrophobicContact CG-CD2 3.81Å; Y178-L206 PolarHBondContact N-O 2.96Å; Y185-L206 HydrophobicContact CD1-CB 4.45Å; Y185-L206 HydrophobicContact CD1-CD1 3.8Å; Y185-L206 HydrophobicContact CE1-CD1 4.39Å; Y185-L206 HydrophobicContact CG-CB 4.36Å; Y185-L206 HydrophobicContact CG-CD1 4.24Å; Y185-L206 PolarHBondContact O-N 2.75Å; L206-Y215 HydrophobicContact CD2-CD1 4.09Å; L206-V217 HydrophobicContact CG-CG2 4.48Å; L206-L239 HydrophobicContact CD2-CD1 4.41Å; L206-A242 HydrophobicContact CD1-CB 4.01Å; L206-A242 HydrophobicContact CD2-CB 4.16Å; L206-A242 HydrophobicContact CG-CB 4.1Å; L206-K243 HydrophobicContact CD1-CB 4.48Å; L206-K243 HydrophobicContact CD1-CG 3.86Å; L206-F246 HydrophobicContact CB-CD2 4.09Å; L206-F246 HydrophobicContact CD1-CB 4.49Å
207	L	96.1	Very high	92.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138.4	-177.2	-55	-179.7	0	0	0	110.3	V164 K171 A175 H176 V177 Q205 Y215 S216 W218	V164-L207 HydrophobicContact CB-CD2 4.49Å; V164-L207 HydrophobicContact CG1-CD1 4.07Å; V164-L207 HydrophobicContact CG1-CD2 4.08Å; V164-L207 HydrophobicContact CG2-CD2 3.97Å; K171-L207 HydrophobicContact CB-CD1 3.84Å; K171-L207 HydrophobicContact CG-CD1 4.03Å; A175-L207 HydrophobicContact CB-CB 4.43Å; H176-L207 WeakPolarHBondContact O-CA 3.26Å; V177-L207 HydrophobicContact CG2-CD2 3.91Å; Q205-L207 HydrophobicContact CB-CD2 3.96Å; Q205-L207 HydrophobicContact CB-CG 4.36Å; L207-Y215 CarbonylContact O-C 3.53Å; L207-Y215 VanDerWaalsContact O-CA 3.3Å; L207-Y215 WeakPolarHBondContact O-CA 3.22Å; L207-S216 PolarHBondContact N-O 3.34Å; L207-S216 PolarHBondContact O-N 3.47Å; L207-W218 HydrophobicContact CD1-CB 3.92Å; L207-W218 HydrophobicContact CG-CB 4.38Å
208	E	95	Very high	93.2	Very high	30 Å²	30	30.3 Å²	30.3	14%	0.14	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.5	169.7	178.3	167.4	-156.1	0	0	109.5	A175 H176 Y178 Y215	A175-E208 CarbonylContact C-O 3.49Å; A175-E208 WeakPolarHBondContact CA-O 3.37Å; A175-E208 WeakPolarHBondContact CB-O 3.39Å; H176-E208 PolarHBondContact N-O 3.14Å; H176-E208 PolarHBondContact ND1-O 2.81Å; H176-E208 IonicContact NE2-OE2 2.56Å; H176-E208 PolarHBondContact O-N 3.08Å; Y178-E208 HydrophobicContact CD2-CB 4.34Å; Y178-E208 WeakPolarHBondContact CD2-OE2 3.35Å; E208-Y215 HydrophobicContact CB-CD1 3.9Å; E208-Y215 HydrophobicContact CB-CE1 3.83Å; E208-Y215 HydrophobicContact CG-CD1 4.07Å; E208-Y215 HydrophobicContact CG-CE1 3.61Å; E208-Y215 WeakPolarHBondContact OE1-CE1 3.4Å; E208-Y215 PolarHBondContact OE1-OH 2.84Å; E208-Y215 WeakPolarHBondContact OE2-CE1 3.4Å
209	D	94.1	Very high	93.7	Very high	39 Å²	39	28.7 Å²	28.7	21%	0.209	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	139.4	179.1	-73	6.5	0	0	0	111.4	K171 G211 A212 A214	K171-D209 VanDerWaalsContact CD-OD1 3.27Å; K171-D209 WeakPolarHBondContact CD-OD1 3.31Å; K171-D209 WeakPolarHBondContact CE-OD1 3.43Å; K171-D209 IonicContact NZ-OD1 2.77Å; K171-D209 PolarHBondContact NZ-OD1 2.88Å; K171-D209 IonicContact NZ-OD2 4Å; K171-D209 PolarHBondContact NZ-OD2 3.48Å; D209-G211 VanDerWaalsContact C-N 3.32Å; D209-G211 PolarHBondContact O-N 3.23Å; D209-A212 CarbonylContact C-O 3.57Å; D209-A212 WeakPolarHBondContact CB-O 3.44Å; D209-A214 HydrophobicContact CB-CB 4.35Å; D209-A214 PolarHBondContact N-O 3.23Å
210	D	89.4	Confident	94	Very high	69 Å²	69	29.7 Å²	29.7	37%	0.369	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-33.9	-176.4	-62.5	-14.3	0	0	0	111.7	K159 K174 A175 H176	K159-D210 IonicContact NZ-OD2 3.37Å; K159-D210 PolarHBondContact NZ-OD2 3.37Å; K174-D210 PolarHBondContact O-N 3.16Å; A175-D210 VanDerWaalsContact C-OD1 3.28Å; A175-D210 WeakPolarHBondContact CA-OD1 3.35Å; H176-D210 IonicContact CE1-OD1 3.26Å; H176-D210 IonicContact CG-OD1 3.75Å; H176-D210 PolarHBondContact N-OD1 3.08Å; H176-D210 IonicContact ND1-OD1 3.06Å; H176-D210 PolarHBondContact ND1-OD1 2.89Å
211	G	87.4	Confident	94.1	Very high	81 Å²	81	29 Å²	29	84%	0.835	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-7.7	-174.9	0	0	0	0	0	114.9	D209	D209-G211 VanDerWaalsContact C-N 3.32Å; D209-G211 PolarHBondContact O-N 3.23Å
212	A	88.5	Confident	94.1	Very high	57 Å²	57	30 Å²	30	47%	0.471	18%	0.177	S	C	.	.	S	Bend	trans	-158.2	147.3	-177.1	0	0	0	0	0	110.6	D209 A214	D209-A212 CarbonylContact C-O 3.57Å; D209-A212 WeakPolarHBondContact CB-O 3.44Å; A212-A214 HydrophobicContact CB-CB 4.45Å; A212-A214 PolarHBondContact O-N 2.9Å
213	K	90.8	Very high	93.8	Very high	163 Å²	163	31.7 Å²	31.7	71%	0.709	18%	0.183	S	C	*	.	S	Bend	trans	-70.4	73.8	169.8	-67	-167.6	177.2	-169.3	0	110.6	A237	K213-A237 VanDerWaalsContact O-CA 3.27Å; K213-A237 WeakPolarHBondContact O-CA 3.4Å; K213-A237 WeakPolarHBondContact O-CB 3.46Å
214	A	95.6	Very high	93.3	Very high	23 Å²	23	31.5 Å²	31.5	19%	0.19	18%	0.182	C	C	.	.			trans	-131	123.8	-179.6	0	0	0	0	0	109	D209 A212 G236	D209-A214 HydrophobicContact CB-CB 4.35Å; D209-A214 PolarHBondContact N-O 3.23Å; A212-A214 HydrophobicContact CB-CB 4.45Å; A212-A214 PolarHBondContact O-N 2.9Å; A214-G236 CarbonylContact C-O 3.56Å; A214-G236 WeakPolarHBondContact CA-O 3.37Å
215	Y	97.3	Very high	92.6	Very high	17 Å²	17	31.6 Å²	31.6	7%	0.067	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	146.2	-173.4	-54.3	-79.7	0	0	0	110.8	Y178 L206 L207 E208 C235 G236 L239	Y178-Y215 HydrophobicContact CD2-CD1 4.45Å; Y178-Y215 HydrophobicContact CD2-CE1 4.02Å; Y178-Y215 HydrophobicContact CE2-CE1 4.1Å; L206-Y215 HydrophobicContact CD2-CD1 4.09Å; L207-Y215 CarbonylContact O-C 3.53Å; L207-Y215 VanDerWaalsContact O-CA 3.3Å; L207-Y215 WeakPolarHBondContact O-CA 3.22Å; E208-Y215 HydrophobicContact CB-CD1 3.9Å; E208-Y215 HydrophobicContact CB-CE1 3.83Å; E208-Y215 HydrophobicContact CG-CD1 4.07Å; E208-Y215 HydrophobicContact CG-CE1 3.61Å; E208-Y215 WeakPolarHBondContact OE1-CE1 3.4Å; E208-Y215 PolarHBondContact OE1-OH 2.84Å; E208-Y215 WeakPolarHBondContact OE2-CE1 3.4Å; Y215-C235 WeakPolarHBondContact O-CA 3.28Å; Y215-C235 WeakPolarHBondContact O-CB 3.48Å; Y215-C235 PolarHBondContact O-N 3.49Å; Y215-G236 WeakPolarHBondContact CD2-O 3.34Å; Y215-G236 PolarHBondContact N-O 3.22Å; Y215-G236 PolarHBondContact O-N 3.26Å; Y215-L239 HydrophobicContact CD1-CD1 3.73Å; Y215-L239 HydrophobicContact CD2-CB 3.85Å; Y215-L239 HydrophobicContact CE1-CB 4.36Å; Y215-L239 HydrophobicContact CE1-CD1 3.73Å; Y215-L239 HydrophobicContact CE1-CG 4.45Å; Y215-L239 HydrophobicContact CE2-CB 3.65Å; Y215-L239 HydrophobicContact CG-CB 4.31Å; Y215-L239 HydrophobicContact CG-CD1 4.15Å
216	S	97.6	Very high	91.9	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.014	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	146.6	174.2	-54.4	0	0	0	0	110.4	K171 L207 T233 L234	K171-S216 WeakPolarHBondContact CE-OG 3.48Å; K171-S216 PolarHBondContact NZ-OG 3.05Å; L207-S216 PolarHBondContact N-O 3.34Å; L207-S216 PolarHBondContact O-N 3.47Å; S216-T233 CarbonylContact C-O 3.51Å; S216-T233 WeakPolarHBondContact CA-O 3.44Å; S216-L234 WeakPolarHBondContact OG-CD2 3.19Å
217	V	97.8	Very high	91.2	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	115.1	170.5	-173.9	0	0	0	0	109	I204 Q205 L206 M219 T233 A242 T245 F246	I204-V217 HydrophobicContact CG2-CG1 4Å; Q205-V217 CarbonylContact O-C 3.56Å; Q205-V217 WeakPolarHBondContact O-CA 3.31Å; L206-V217 HydrophobicContact CG-CG2 4.48Å; V217-M219 HydrophobicContact CB-CE 4.44Å; V217-M219 HydrophobicContact CG1-CE 3.53Å; V217-M219 HydrophobicContact CG1-CG 4.33Å; V217-T233 PolarHBondContact N-O 2.81Å; V217-T233 PolarHBondContact O-N 2.97Å; V217-A242 HydrophobicContact CG2-CB 4.19Å; V217-A242 VanDerWaalsContact CG2-O 3.26Å; V217-A242 WeakPolarHBondContact CG2-O 3.37Å; V217-T245 HydrophobicContact CB-CG2 4.19Å; V217-T245 HydrophobicContact CG1-CG2 4.41Å; V217-T245 HydrophobicContact CG2-CG2 4.07Å; V217-F246 HydrophobicContact CG1-CB 4.41Å; V217-F246 HydrophobicContact CG1-CD2 4.47Å; V217-F246 HydrophobicContact CG2-CB 4.49Å
218	W	97.2	Very high	90.7	Very high	9 Å²	9	41.8 Å²	41.8	3%	0.034	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	135.3	173.8	175	-113.5	0	0	0	110.4	D165 E167 C168 I204 Q205 L207 R220 N230 S231 L232	D165-W218 PolarHBondContact OD2-NE1 2.85Å; E167-W218 HydrophobicContact CB-CZ2 4.22Å; C168-W218 HydrophobicContact CB-CD2 3.77Å; C168-W218 HydrophobicContact CB-CE3 4.14Å; C168-W218 HydrophobicContact CB-CG 4.16Å; C168-W218 HydrophobicContact CB-CH2 4.14Å; C168-W218 HydrophobicContact CB-CZ2 3.85Å; C168-W218 HydrophobicContact CB-CZ3 4.31Å; I204-W218 CarbonylContact C-O 3.47Å; I204-W218 WeakPolarHBondContact CA-O 3.47Å; Q205-W218 HydrophobicContact CB-CB 4.2Å; Q205-W218 PolarHBondContact N-O 2.96Å; Q205-W218 PolarHBondContact O-N 2.9Å; L207-W218 HydrophobicContact CD1-CB 3.92Å; L207-W218 HydrophobicContact CG-CB 4.38Å; W218-R220 HydrophobicContact CZ2-CB 4.5Å; W218-N230 HydrophobicContact CH2-CB 3.34Å; W218-N230 HydrophobicContact CZ2-CB 3.59Å; W218-N230 HydrophobicContact CZ3-CB 3.9Å; W218-S231 VanDerWaalsContact CE3-O 3.3Å; W218-L232 HydrophobicContact CB-CD1 4.1Å; W218-L232 HydrophobicContact CE3-CB 3.74Å; W218-L232 HydrophobicContact CE3-CD1 3.96Å; W218-L232 HydrophobicContact CE3-CG 4.4Å; W218-L232 HydrophobicContact CZ3-CB 3.97Å
219	M	96.6	Very high	90.6	Very high	7 Å²	7	46.7 Å²	46.7	3%	0.034	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	135.7	176.8	-63.1	174.4	-168.7	0	0	109.1	Y202 L203 I204 V217 W221 N230 S231 T245 K249	Y202-M219 HydrophobicContact CE1-CB 4.08Å; Y202-M219 HydrophobicContact CE1-CG 4.21Å; Y202-M219 HydrophobicContact CE1-SD 4.35Å; L203-M219 VanDerWaalsContact O-CA 3.29Å; L203-M219 WeakPolarHBondContact O-CA 3.32Å; I204-M219 HydrophobicContact CG2-CE 4.42Å; I204-M219 HydrophobicContact CG2-CG 4.14Å; V217-M219 HydrophobicContact CB-CE 4.44Å; V217-M219 HydrophobicContact CG1-CE 3.53Å; V217-M219 HydrophobicContact CG1-CG 4.33Å; M219-W221 HydrophobicContact CB-CE3 4.09Å; M219-W221 HydrophobicContact CB-CZ3 3.79Å; M219-N230 CarbonylContact O-C 3.47Å; M219-N230 WeakPolarHBondContact O-CA 3.33Å; M219-N230 WeakPolarHBondContact O-CB 3.34Å; M219-S231 PolarHBondContact N-O 2.84Å; M219-S231 PolarHBondContact O-N 2.77Å; M219-T245 HydrophobicContact CE-CG2 4.08Å; M219-K249 HydrophobicContact CE-CB 3.68Å; M219-K249 HydrophobicContact CE-CD 4.31Å; M219-K249 HydrophobicContact CE-CG 3.7Å; M219-K249 HydrophobicContact SD-CB 4.38Å; M219-K249 HydrophobicContact SD-CD 3.97Å; M219-K249 HydrophobicContact SD-CG 3.71Å
220	R	93.8	Very high	90.6	Very high	22 Å²	22	48.8 Å²	48.8	8%	0.083	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	132.4	174.1	-178.4	169.4	57.3	97.2	-13	110.5	D165 Y201 Y202 L203 W218 Q229 N230	D165-R220 IonicContact OD1-CZ 2.7Å; D165-R220 IonicContact OD1-NE 3.24Å; D165-R220 IonicContact OD1-NH2 2.81Å; D165-R220 PolarHBondContact OD1-NH2 3.37Å; D165-R220 IonicContact OD2-CZ 2.72Å; D165-R220 IonicContact OD2-NE 3.61Å; D165-R220 PolarHBondContact OD2-NE 2.8Å; D165-R220 IonicContact OD2-NH2 3.84Å; D165-R220 PolarHBondContact OD2-NH2 2.65Å; Y201-R220 HydrophobicContact CE2-CG 4.03Å; Y201-R220 PolarHBondContact OH-NH1 3.48Å; Y202-R220 CarbonylContact C-O 3.45Å; Y202-R220 WeakPolarHBondContact CA-O 3.06Å; L203-R220 HydrophobicContact CB-CB 4.36Å; L203-R220 PolarHBondContact N-O 3.23Å; L203-R220 PolarHBondContact O-N 2.97Å; W218-R220 HydrophobicContact CZ2-CB 4.5Å; R220-Q229 CarbonylContact C-O 3.57Å; R220-Q229 WeakPolarHBondContact CA-O 3.31Å; R220-N230 HydrophobicContact CB-CB 4.23Å; R220-N230 HydrophobicContact CG-CB 4.29Å
221	W	94.1	Very high	91	Very high	67 Å²	67	47.7 Å²	47.7	25%	0.254	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	151.3	-176.1	64.2	87.2	0	0	0	112.2	Y201 Y202 M219 G228 Q229	Y201-W221 VanDerWaalsContact O-CA 3.28Å; Y201-W221 WeakPolarHBondContact O-CA 3.5Å; Y201-W221 VanDerWaalsContact O-CB 3.32Å; Y201-W221 WeakPolarHBondContact O-CB 3.45Å; Y202-W221 HydrophobicContact CD2-CB 3.3Å; Y202-W221 HydrophobicContact CD2-CD2 4.4Å; Y202-W221 AromaticContact CD2-CG 3.9Å; Y202-W221 HydrophobicContact CD2-CG 3.9Å; Y202-W221 HydrophobicContact CE1-CE3 4.38Å; Y202-W221 HydrophobicContact CE2-CB 3.53Å; Y202-W221 AromaticContact CE2-CD2 3.67Å; Y202-W221 HydrophobicContact CE2-CD2 3.67Å; Y202-W221 AromaticContact CE2-CE3 3.7Å; Y202-W221 HydrophobicContact CE2-CE3 3.7Å; Y202-W221 AromaticContact CE2-CG 3.61Å; Y202-W221 HydrophobicContact CE2-CG 3.61Å; Y202-W221 HydrophobicContact CG-CB 3.96Å; Y202-W221 AromaticContact CZ-CE3 3.59Å; M219-W221 HydrophobicContact CB-CE3 4.09Å; M219-W221 HydrophobicContact CB-CZ3 3.79Å; W221-G228 CarbonylContact O-C 3.23Å; W221-G228 WeakPolarHBondContact O-CA 3.5Å; W221-Q229 HydrophobicContact CD2-CB 4.44Å; W221-Q229 HydrophobicContact CZ2-CB 3.93Å; W221-Q229 PolarHBondContact N-O 2.91Å; W221-Q229 VanDerWaalsContact NE1-OE1 3.11Å; W221-Q229 PolarHBondContact O-N 3.43Å
222	G	91.1	Very high	91.4	Very high	20 Å²	20	46.2 Å²	46.2	21%	0.206	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.9	-159.8	-179.6	0	0	0	0	0	112.5	K200 Y201	K200-G222 CarbonylContact C-O 3.53Å; K200-G222 WeakPolarHBondContact CA-O 3.32Å; Y201-G222 WeakPolarHBondContact CD1-O 3.45Å; Y201-G222 PolarHBondContact N-O 3.26Å; Y201-G222 PolarHBondContact O-N 3.45Å
223	R	86.9	Confident	91.8	Very high	49 Å²	49	45.9 Å²	45.9	19%	0.185	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	143	175.1	-170.2	168.8	178.2	91.3	4.2	110.8	N197 N199 Y201 K226 G381 L382 K383	N197-R223 PolarHBondContact O-NH1 2.83Å; N197-R223 PolarHBondContact OD1-NH1 3.2Å; N197-R223 PolarHBondContact OD1-NH2 3.41Å; N199-R223 WeakPolarHBondContact O-CA 3.38Å; N199-R223 WeakPolarHBondContact O-CG 3.35Å; Y201-R223 WeakPolarHBondContact CE1-O 3.44Å; R223-K226 PolarHBondContact O-N 3.33Å; R223-K226 VanDerWaalsContact O-N 3.15Å; R223-G381 PolarHBondContact NE-O 3.44Å; R223-G381 PolarHBondContact NH2-O 2.87Å; R223-L382 PolarHBondContact NH2-O 3.37Å; R223-K383 PolarHBondContact NH2-O 3.45Å
224	V	83.7	Confident	92.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	138.7	174.6	-173.8	0	0	0	0	111.3	N199 K226 D328 K331 H378	N199-V224 VanDerWaalsContact C-CG2 3.47Å; N199-V224 HydrophobicContact CB-CG2 4.36Å; N199-V224 WeakPolarHBondContact O-CG2 3.36Å; N199-V224 PolarHBondContact O-N 3.33Å; N199-V224 WeakPolarHBondContact OD1-CG2 3.39Å; V224-K226 VanDerWaalsContact C-N 3.29Å; V224-K226 PolarHBondContact O-N 3.08Å; V224-D328 HydrophobicContact CG1-CB 3.8Å; V224-D328 WeakPolarHBondContact CG1-OD2 3.34Å; V224-K331 HydrophobicContact CG1-CD 4.49Å; V224-H378 WeakPolarHBondContact CG1-O 3.38Å
225	G	78.8	Confident	92.1	Very high	2 Å²	2	42.9 Å²	42.9	2%	0.021	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	-13.9	-170.1	0	0	0	0	0	117.7	D328 R330 D379	G225-D328 PolarHBondContact N-OD2 2.88Å; G225-R330 PolarHBondContact O-NH1 3.04Å; G225-D379 VanDerWaalsContact CA-OD2 3.22Å; G225-D379 WeakPolarHBondContact CA-OD2 3.48Å
226	K	82.3	Confident	91.9	Very high	107 Å²	107	43.9 Å²	43.9	47%	0.465	24%	0.241	S	C	.	.	S	Bend	trans	-115.2	146	-174.9	-59.4	-60.2	-178.8	-168	0	112.6	Y201 R223 V224 G228	Y201-K226 PolarHBondContact OH-O 3.21Å; R223-K226 PolarHBondContact O-N 3.33Å; R223-K226 VanDerWaalsContact O-N 3.15Å; V224-K226 VanDerWaalsContact C-N 3.29Å; V224-K226 PolarHBondContact O-N 3.08Å; K226-G228 PolarHBondContact O-N 3.16Å
227	V	80.1	Confident	91.7	Very high	97 Å²	97	47.8 Å²	47.8	59%	0.588	27%	0.273	S	S	*	.			trans	-62.2	124.5	169.2	-175.3	0	0	0	0	108
228	G	85.9	Confident	91.6	Very high	16 Å²	16	51.4 Å²	51.4	17%	0.165	29%	0.292	C	S	.	.			trans	-90.4	-179.1	-174.3	0	0	0	0	0	113.2	Y201 W221 K226	Y201-G228 WeakPolarHBondContact OH-CA 3.38Å; Y201-G228 PolarHBondContact OH-N 3.32Å; W221-G228 CarbonylContact O-C 3.23Å; W221-G228 WeakPolarHBondContact O-CA 3.5Å; K226-G228 PolarHBondContact O-N 3.16Å
229	Q	92.7	Very high	91.5	Very high	134 Å²	134	52.7 Å²	52.7	63%	0.626	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	155.3	161.6	-68.9	177.3	-21.5	0	0	109.5	R220 W221	R220-Q229 CarbonylContact C-O 3.57Å; R220-Q229 WeakPolarHBondContact CA-O 3.31Å; W221-Q229 HydrophobicContact CD2-CB 4.44Å; W221-Q229 HydrophobicContact CZ2-CB 3.93Å; W221-Q229 PolarHBondContact N-O 2.91Å; W221-Q229 VanDerWaalsContact NE1-OE1 3.11Å; W221-Q229 PolarHBondContact O-N 3.43Å
230	N	95.4	Very high	91.5	Very high	83 Å²	83	58.1 Å²	58.1	44%	0.444	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	166.7	178.4	62.5	53.4	0	0	0	112	W218 M219 R220	W218-N230 HydrophobicContact CH2-CB 3.34Å; W218-N230 HydrophobicContact CZ2-CB 3.59Å; W218-N230 HydrophobicContact CZ3-CB 3.9Å; M219-N230 CarbonylContact O-C 3.47Å; M219-N230 WeakPolarHBondContact O-CA 3.33Å; M219-N230 WeakPolarHBondContact O-CB 3.34Å; R220-N230 HydrophobicContact CB-CB 4.23Å; R220-N230 HydrophobicContact CG-CB 4.29Å
231	S	96.9	Very high	91.6	Very high	45 Å²	45	62.1 Å²	62.1	32%	0.315	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	133.6	174.8	-178.8	0	0	0	0	109.4	W218 M219	W218-S231 VanDerWaalsContact CE3-O 3.3Å; M219-S231 PolarHBondContact N-O 2.84Å; M219-S231 PolarHBondContact O-N 2.77Å
232	L	97.1	Very high	91.8	Very high	50 Å²	50	59 Å²	59	26%	0.262	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	112.3	171.1	-174.5	63	0	0	0	108.6	A170 K171 W218 L234	A170-L232 HydrophobicContact CB-CD2 4.09Å; K171-L232 HydrophobicContact CG-CD1 4.38Å; K171-L232 HydrophobicContact CG-CD2 4.1Å; W218-L232 HydrophobicContact CB-CD1 4.1Å; W218-L232 HydrophobicContact CE3-CB 3.74Å; W218-L232 HydrophobicContact CE3-CD1 3.96Å; W218-L232 HydrophobicContact CE3-CG 4.4Å; W218-L232 HydrophobicContact CZ3-CB 3.97Å; L232-L234 HydrophobicContact CD2-CD2 4.19Å; L232-L234 HydrophobicContact CG-CD2 4.2Å
233	T	96.7	Very high	92.1	Very high	50 Å²	50	59.3 Å²	59.3	31%	0.307	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	115.1	176.6	-58.3	0	0	0	0	109.3	S216 V217 T245	S216-T233 CarbonylContact C-O 3.51Å; S216-T233 WeakPolarHBondContact CA-O 3.44Å; V217-T233 PolarHBondContact N-O 2.81Å; V217-T233 PolarHBondContact O-N 2.97Å; T233-T245 HydrophobicContact CG2-CG2 4.49Å
234	L	96	Very high	92.6	Very high	113 Å²	113	61.9 Å²	61.9	59%	0.592	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	128.6	177.6	-56.1	178.7	0	0	0	110.2	S216 L232	S216-L234 WeakPolarHBondContact OG-CD2 3.19Å; L232-L234 HydrophobicContact CD2-CD2 4.19Å; L232-L234 HydrophobicContact CG-CD2 4.2Å
235	C	95.1	Very high	93.2	Very high	11 Å²	11	63.7 Å²	63.7	7%	0.074	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-8.1	178.9	-62.4	0	0	0	0	112.8	Y215 D238 A242	Y215-C235 WeakPolarHBondContact O-CA 3.28Å; Y215-C235 WeakPolarHBondContact O-CB 3.48Å; Y215-C235 PolarHBondContact O-N 3.49Å; C235-D238 PolarHBondContact O-N 3.45Å; C235-A242 HydrophobicContact CB-CB 3.86Å; C235-A242 VanDerWaalsContact SG-CA 3.57Å
236	G	93.7	Very high	94.1	Very high	38 Å²	38	63.6 Å²	63.6	39%	0.392	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	62.6	-145	-175.1	0	0	0	0	0	110.3	A214 Y215 D238	A214-G236 CarbonylContact C-O 3.56Å; A214-G236 WeakPolarHBondContact CA-O 3.37Å; Y215-G236 WeakPolarHBondContact CD2-O 3.34Å; Y215-G236 PolarHBondContact N-O 3.22Å; Y215-G236 PolarHBondContact O-N 3.26Å; G236-D238 PolarHBondContact O-N 3.08Å
237	A	94.1	Very high	94.9	Very high	83 Å²	83	60.8 Å²	60.8	69%	0.686	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	1.8	179.5	0	0	0	0	0	114.8	K213 L239	K213-A237 VanDerWaalsContact O-CA 3.27Å; K213-A237 WeakPolarHBondContact O-CA 3.4Å; K213-A237 WeakPolarHBondContact O-CB 3.46Å; A237-L239 PolarHBondContact O-N 3.13Å
238	D	95.5	Very high	95.7	Very high	76 Å²	76	64 Å²	64	41%	0.406	35%	0.351	S	S	.	.			trans	-88.6	90	-176.6	-170.5	-14.4	0	0	0	111.7	C235 G236 L240 K241 A242	C235-D238 PolarHBondContact O-N 3.45Å; G236-D238 PolarHBondContact O-N 3.08Å; D238-L240 VanDerWaalsContact C-N 3.34Å; D238-L240 PolarHBondContact OD1-N 3.13Å; D238-K241 HydrophobicContact CB-CB 3.97Å; D238-K241 WeakPolarHBondContact OD1-CB 3.35Å; D238-K241 PolarHBondContact OD1-N 3.35Å; D238-K241 VanDerWaalsContact OD2-CB 3.29Å; D238-K241 WeakPolarHBondContact OD2-CB 3.39Å; D238-A242 PolarHBondContact O-N 2.68Å
239	L	95.4	Very high	96.2	Very high	36 Å²	36	66.1 Å²	66.1	19%	0.188	36%	0.356	C	S	.	.	H	α-helix	trans	-62.7	-38.6	176.1	174.9	60	0	0	0	112.4	Y178 L206 Y215 A237 K241 A242 K243	Y178-L239 HydrophobicContact CD1-CD1 4.29Å; Y178-L239 HydrophobicContact CD2-CD1 4.3Å; Y178-L239 HydrophobicContact CE1-CD1 3.88Å; Y178-L239 HydrophobicContact CE2-CD1 3.9Å; Y178-L239 HydrophobicContact CE2-CD2 4.2Å; Y178-L239 HydrophobicContact CG-CD1 4.5Å; Y178-L239 VanDerWaalsContact OH-CD2 3.27Å; Y178-L239 WeakPolarHBondContact OH-CD2 3.32Å; L206-L239 HydrophobicContact CD2-CD1 4.41Å; Y215-L239 HydrophobicContact CD1-CD1 3.73Å; Y215-L239 HydrophobicContact CD2-CB 3.85Å; Y215-L239 HydrophobicContact CE1-CB 4.36Å; Y215-L239 HydrophobicContact CE1-CD1 3.73Å; Y215-L239 HydrophobicContact CE1-CG 4.45Å; Y215-L239 HydrophobicContact CE2-CB 3.65Å; Y215-L239 HydrophobicContact CG-CB 4.31Å; Y215-L239 HydrophobicContact CG-CD1 4.15Å; A237-L239 PolarHBondContact O-N 3.13Å; L239-K241 PolarHBondContact O-N 2.8Å; L239-A242 WeakPolarHBondContact O-CB 3.42Å; L239-A242 PolarHBondContact O-N 2.75Å; L239-A242 VanDerWaalsContact O-N 3.16Å; L239-K243 HydrophobicContact CD1-CG 4.15Å; L239-K243 HydrophobicContact CG-CD 4.43Å; L239-K243 HydrophobicContact CG-CG 4.46Å; L239-K243 WeakPolarHBondContact O-CG 3.4Å; L239-K243 PolarHBondContact O-N 3.27Å
240	L	96.1	Very high	96.4	Very high	122 Å²	122	59.8 Å²	59.8	64%	0.639	33%	0.327	S	S	*	.	H	α-helix	trans	-63.5	-45	-178.1	-69.5	175.8	0	0	0	110.4	D238 A242 K243 D244	D238-L240 VanDerWaalsContact C-N 3.34Å; D238-L240 PolarHBondContact OD1-N 3.13Å; L240-A242 VanDerWaalsContact C-N 3.3Å; L240-A242 PolarHBondContact O-N 3.45Å; L240-K243 PolarHBondContact O-N 3.43Å; L240-D244 WeakPolarHBondContact O-CB 3.26Å; L240-D244 PolarHBondContact O-N 2.91Å
241	K	96.7	Very high	96.5	Very high	106 Å²	106	59.4 Å²	59.4	46%	0.461	32%	0.324	S	S	.	.	H	α-helix	trans	-60.5	-38.3	173.8	-178.9	-178.9	-179.6	-176.4	0	112.7	D238 L239 T245	D238-K241 HydrophobicContact CB-CB 3.97Å; D238-K241 WeakPolarHBondContact OD1-CB 3.35Å; D238-K241 PolarHBondContact OD1-N 3.35Å; D238-K241 VanDerWaalsContact OD2-CB 3.29Å; D238-K241 WeakPolarHBondContact OD2-CB 3.39Å; L239-K241 PolarHBondContact O-N 2.8Å; K241-T245 VanDerWaalsContact O-CB 3.31Å; K241-T245 WeakPolarHBondContact O-CB 3.4Å; K241-T245 PolarHBondContact O-N 3.28Å; K241-T245 PolarHBondContact O-OG1 3.37Å
242	A	97.1	Very high	96.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-64	-47.4	176	0	0	0	0	0	111.3	L206 V217 C235 D238 L239 L240 T245 F246	L206-A242 HydrophobicContact CD1-CB 4.01Å; L206-A242 HydrophobicContact CD2-CB 4.16Å; L206-A242 HydrophobicContact CG-CB 4.1Å; V217-A242 HydrophobicContact CG2-CB 4.19Å; V217-A242 VanDerWaalsContact CG2-O 3.26Å; V217-A242 WeakPolarHBondContact CG2-O 3.37Å; C235-A242 HydrophobicContact CB-CB 3.86Å; C235-A242 VanDerWaalsContact SG-CA 3.57Å; D238-A242 PolarHBondContact O-N 2.68Å; L239-A242 WeakPolarHBondContact O-CB 3.42Å; L239-A242 PolarHBondContact O-N 2.75Å; L239-A242 VanDerWaalsContact O-N 3.16Å; L240-A242 VanDerWaalsContact C-N 3.3Å; L240-A242 PolarHBondContact O-N 3.45Å; A242-T245 PolarHBondContact O-N 3.36Å; A242-F246 WeakPolarHBondContact O-CB 3.47Å; A242-F246 PolarHBondContact O-N 3.17Å
243	K	97.4	Very high	96.5	Very high	27 Å²	27	60.1 Å²	60.1	12%	0.117	32%	0.323	C	S	.	.	H	α-helix	trans	-60.7	-47.1	175.3	-70.5	-176.3	-178.5	-177.7	0	112.1	E180 Y185 L206 L239 L240 T245 F246 K247	E180-K243 VanDerWaalsContact OE1-CE 3.24Å; E180-K243 WeakPolarHBondContact OE1-CE 3.5Å; E180-K243 IonicContact OE1-NZ 3.54Å; E180-K243 PolarHBondContact OE1-NZ 3.06Å; E180-K243 WeakPolarHBondContact OE2-CE 3.28Å; E180-K243 IonicContact OE2-NZ 3.55Å; E180-K243 PolarHBondContact OE2-NZ 3.45Å; Y185-K243 HydrophobicContact CE1-CB 4.3Å; Y185-K243 HydrophobicContact CE1-CD 4.26Å; Y185-K243 HydrophobicContact CE1-CG 3.81Å; L206-K243 HydrophobicContact CD1-CB 4.48Å; L206-K243 HydrophobicContact CD1-CG 3.86Å; L239-K243 HydrophobicContact CD1-CG 4.15Å; L239-K243 HydrophobicContact CG-CD 4.43Å; L239-K243 HydrophobicContact CG-CG 4.46Å; L239-K243 WeakPolarHBondContact O-CG 3.4Å; L239-K243 PolarHBondContact O-N 3.27Å; L240-K243 PolarHBondContact O-N 3.43Å; K243-T245 VanDerWaalsContact C-N 3.29Å; K243-T245 PolarHBondContact O-N 3.19Å; K243-F246 WeakPolarHBondContact O-CB 3.42Å; K243-F246 PolarHBondContact O-N 2.88Å; K243-K247 WeakPolarHBondContact O-CB 3.38Å; K243-K247 VanDerWaalsContact O-CG 3.27Å; K243-K247 WeakPolarHBondContact O-CG 3.48Å; K243-K247 PolarHBondContact O-N 3.47Å
244	D	97.3	Very high	96.4	Very high	104 Å²	104	57.7 Å²	57.7	56%	0.556	31%	0.308	S	S	*	.	H	α-helix	trans	-61.4	-40.5	179	-75.4	-13	0	0	0	111.3	L240 K248	L240-D244 WeakPolarHBondContact O-CB 3.26Å; L240-D244 PolarHBondContact O-N 2.91Å; D244-K248 WeakPolarHBondContact O-CB 3.36Å; D244-K248 PolarHBondContact O-N 2.83Å
245	T	97.5	Very high	96.4	Very high	38 Å²	38	57.8 Å²	57.8	23%	0.233	30%	0.304	C	S	.	.	H	α-helix	trans	-62.5	-44.7	176	-60.4	0	0	0	0	111.3	V217 M219 T233 K241 A242 K243 K249	V217-T245 HydrophobicContact CB-CG2 4.19Å; V217-T245 HydrophobicContact CG1-CG2 4.41Å; V217-T245 HydrophobicContact CG2-CG2 4.07Å; M219-T245 HydrophobicContact CE-CG2 4.08Å; T233-T245 HydrophobicContact CG2-CG2 4.49Å; K241-T245 VanDerWaalsContact O-CB 3.31Å; K241-T245 WeakPolarHBondContact O-CB 3.4Å; K241-T245 PolarHBondContact O-N 3.28Å; K241-T245 PolarHBondContact O-OG1 3.37Å; A242-T245 PolarHBondContact O-N 3.36Å; K243-T245 VanDerWaalsContact C-N 3.29Å; K243-T245 PolarHBondContact O-N 3.19Å; T245-K249 WeakPolarHBondContact O-CB 3.26Å; T245-K249 PolarHBondContact O-N 2.74Å; T245-K249 VanDerWaalsContact O-N 3.13Å
246	F	97.8	Very high	96.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.3	-57.1	175.7	-178.2	-79.1	0	0	0	111.4	Y185 V187 I204 L206 V217 A242 K243 K248 K249 F250 W258	Y185-F246 AromaticContact CD1-CD1 3.88Å; Y185-F246 HydrophobicContact CD1-CD1 3.88Å; Y185-F246 HydrophobicContact CD1-CE1 4.12Å; Y185-F246 HydrophobicContact CD1-CG 4.12Å; Y185-F246 HydrophobicContact CE1-CD1 4.48Å; Y185-F246 VanDerWaalsContact O-CE2 3.28Å; Y185-F246 WeakPolarHBondContact O-CE2 3.48Å; V187-F246 HydrophobicContact CB-CZ 4.46Å; V187-F246 HydrophobicContact CG1-CE1 4.48Å; V187-F246 HydrophobicContact CG1-CE2 4.36Å; V187-F246 HydrophobicContact CG1-CZ 3.76Å; I204-F246 HydrophobicContact CB-CD2 4.26Å; I204-F246 HydrophobicContact CB-CE2 3.91Å; I204-F246 HydrophobicContact CB-CZ 4.47Å; I204-F246 HydrophobicContact CG2-CD2 3.39Å; I204-F246 HydrophobicContact CG2-CE2 3.56Å; I204-F246 HydrophobicContact CG2-CG 4.12Å; I204-F246 HydrophobicContact CG2-CZ 4.39Å; L206-F246 HydrophobicContact CB-CD2 4.09Å; L206-F246 HydrophobicContact CD1-CB 4.49Å; V217-F246 HydrophobicContact CG1-CB 4.41Å; V217-F246 HydrophobicContact CG1-CD2 4.47Å; V217-F246 HydrophobicContact CG2-CB 4.49Å; A242-F246 WeakPolarHBondContact O-CB 3.47Å; A242-F246 PolarHBondContact O-N 3.17Å; K243-F246 WeakPolarHBondContact O-CB 3.42Å; K243-F246 PolarHBondContact O-N 2.88Å; F246-K248 PolarHBondContact O-N 3.46Å; F246-K249 WeakPolarHBondContact O-CB 3.37Å; F246-K249 PolarHBondContact O-N 2.86Å; F246-K249 VanDerWaalsContact O-N 3.09Å; F246-F250 PolarHBondContact O-N 2.85Å; F246-W258 HydrophobicContact CD1-CD2 4.33Å; F246-W258 AromaticContact CE1-CD2 3.57Å; F246-W258 HydrophobicContact CE1-CD2 3.57Å; F246-W258 AromaticContact CE1-CE2 3.73Å; F246-W258 AromaticContact CE1-CE3 3.58Å; F246-W258 HydrophobicContact CE1-CE3 3.58Å; F246-W258 HydrophobicContact CE1-CG 4.24Å; F246-W258 AromaticContact CE1-CH2 3.87Å; F246-W258 HydrophobicContact CE1-CH2 3.87Å; F246-W258 AromaticContact CE1-CZ2 3.89Å; F246-W258 HydrophobicContact CE1-CZ2 3.89Å; F246-W258 AromaticContact CE1-CZ3 3.73Å; F246-W258 HydrophobicContact CE1-CZ3 3.73Å; F246-W258 HydrophobicContact CZ-CE3 4.26Å; F246-W258 AromaticContact CZ-CH2 3.86Å; F246-W258 HydrophobicContact CZ-CH2 3.86Å; F246-W258 HydrophobicContact CZ-CZ2 4.14Å; F246-W258 AromaticContact CZ-CZ3 3.93Å; F246-W258 HydrophobicContact CZ-CZ3 3.93Å
247	K	97.5	Very high	96.6	Very high	48 Å²	48	61.8 Å²	61.8	21%	0.209	31%	0.312	C	S	.	.	H	α-helix	trans	-61.6	-41.8	-176.8	-66.5	-176.2	-177.5	-166.9	0	111.9	K243 K249 F250 L251 W258 D259	K243-K247 WeakPolarHBondContact O-CB 3.38Å; K243-K247 VanDerWaalsContact O-CG 3.27Å; K243-K247 WeakPolarHBondContact O-CG 3.48Å; K243-K247 PolarHBondContact O-N 3.47Å; K247-K249 VanDerWaalsContact C-N 3.33Å; K247-K249 PolarHBondContact O-N 3.23Å; K247-F250 PolarHBondContact O-N 2.81Å; K247-L251 WeakPolarHBondContact O-CB 3.35Å; K247-L251 PolarHBondContact O-N 2.83Å; K247-W258 HydrophobicContact CB-CB 4.3Å; K247-W258 HydrophobicContact CD-CB 4.38Å; K247-W258 HydrophobicContact CG-CB 3.79Å; K247-W258 HydrophobicContact CG-CG 4.06Å; K247-D259 VanDerWaalsContact CE-OD1 3.3Å; K247-D259 WeakPolarHBondContact CE-OD1 3.18Å; K247-D259 IonicContact NZ-OD1 2.72Å; K247-D259 PolarHBondContact NZ-OD1 2.88Å; K247-D259 IonicContact NZ-OD2 3.47Å; K247-D259 PolarHBondContact NZ-OD2 3.49Å
248	K	97.2	Very high	96.6	Very high	163 Å²	163	58.2 Å²	58.2	71%	0.709	28%	0.28	S	S	*	.	H	α-helix	trans	-61.9	-40.6	175.3	-177.4	176.2	-177.6	174.3	0	111.7	D244 F246 D252	D244-K248 WeakPolarHBondContact O-CB 3.36Å; D244-K248 PolarHBondContact O-N 2.83Å; F246-K248 PolarHBondContact O-N 3.46Å; K248-D252 WeakPolarHBondContact O-CB 3.25Å; K248-D252 PolarHBondContact O-N 2.82Å
249	K	97.6	Very high	96.5	Very high	62 Å²	62	59.1 Å²	59.1	27%	0.27	29%	0.285	S	S	.	.	H	α-helix	trans	-68.1	-45	177.1	-170.1	63.7	54.1	176.5	0	111.3	Y202 I204 M219 T245 F246 K247 D252 K253	Y202-K249 HydrophobicContact CE1-CD 4.26Å; Y202-K249 HydrophobicContact CE1-CG 3.92Å; I204-K249 HydrophobicContact CD1-CB 4.06Å; I204-K249 HydrophobicContact CD1-CG 3.73Å; I204-K249 HydrophobicContact CG1-CG 4.49Å; M219-K249 HydrophobicContact CE-CB 3.68Å; M219-K249 HydrophobicContact CE-CD 4.31Å; M219-K249 HydrophobicContact CE-CG 3.7Å; M219-K249 HydrophobicContact SD-CB 4.38Å; M219-K249 HydrophobicContact SD-CD 3.97Å; M219-K249 HydrophobicContact SD-CG 3.71Å; T245-K249 WeakPolarHBondContact O-CB 3.26Å; T245-K249 PolarHBondContact O-N 2.74Å; T245-K249 VanDerWaalsContact O-N 3.13Å; F246-K249 WeakPolarHBondContact O-CB 3.37Å; F246-K249 PolarHBondContact O-N 2.86Å; F246-K249 VanDerWaalsContact O-N 3.09Å; K247-K249 VanDerWaalsContact C-N 3.33Å; K247-K249 PolarHBondContact O-N 3.23Å; K249-D252 PolarHBondContact O-N 2.87Å; K249-K253 HydrophobicContact CD-CG 4.41Å; K249-K253 WeakPolarHBondContact O-CG 3.41Å; K249-K253 PolarHBondContact O-N 2.99Å; K249-K253 VanDerWaalsContact O-N 3.1Å
250	F	96.9	Very high	96.2	Very high	0 Å²	0	65 Å²	65	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-54.4	-54.5	174.9	179.7	-98.3	0	0	0	110.7	V187 L189 I204 F246 K247 D252 K253 T254 N256 W258 R261 F264 L273	V187-F250 HydrophobicContact CG1-CD2 4.14Å; V187-F250 HydrophobicContact CG2-CD2 4.33Å; V187-F250 HydrophobicContact CG2-CE2 4.07Å; L189-F250 HydrophobicContact CD2-CD2 4.48Å; L189-F250 HydrophobicContact CD2-CE2 4.14Å; I204-F250 HydrophobicContact CD1-CB 4.46Å; F246-F250 PolarHBondContact O-N 2.85Å; K247-F250 PolarHBondContact O-N 2.81Å; F250-D252 VanDerWaalsContact C-N 3.33Å; F250-D252 PolarHBondContact O-N 3.43Å; F250-K253 PolarHBondContact O-N 2.8Å; F250-T254 HydrophobicContact CD2-CG2 4Å; F250-T254 HydrophobicContact CE2-CG2 3.79Å; F250-T254 HydrophobicContact CG-CG2 4.49Å; F250-T254 HydrophobicContact CZ-CG2 4.1Å; F250-T254 PolarHBondContact O-N 3.44Å; F250-T254 PolarHBondContact O-OG1 2.94Å; F250-N256 VanDerWaalsContact CD1-O 3.25Å; F250-N256 WeakPolarHBondContact CD1-O 3.31Å; F250-N256 HydrophobicContact CE1-CB 4.08Å; F250-N256 VanDerWaalsContact CE1-O 3.31Å; F250-N256 WeakPolarHBondContact CE1-O 3.43Å; F250-W258 HydrophobicContact CD1-CB 3.99Å; F250-W258 HydrophobicContact CD1-CE3 4.22Å; F250-W258 AromaticContact CD2-CE3 3.92Å; F250-W258 HydrophobicContact CD2-CE3 3.92Å; F250-W258 HydrophobicContact CD2-CZ3 4.29Å; F250-W258 HydrophobicContact CE1-CB 4.42Å; F250-W258 HydrophobicContact CE1-CE3 4.29Å; F250-W258 HydrophobicContact CE2-CE3 4Å; F250-W258 HydrophobicContact CE2-CZ3 4.23Å; F250-W258 HydrophobicContact CG-CE3 4.02Å; F250-W258 HydrophobicContact CZ-CE3 4.18Å; F250-R261 HydrophobicContact CZ-CB 4.38Å; F250-F264 HydrophobicContact CZ-CD2 4.11Å; F250-F264 HydrophobicContact CZ-CE2 4.1Å; F250-L273 HydrophobicContact CE2-CD1 4.35Å
251	L	97.3	Very high	95.9	Very high	75 Å²	75	61.5 Å²	61.5	39%	0.393	28%	0.283	S	S	.	.	H	α-helix	trans	-57.8	-39.5	178.2	-178.8	66.1	0	0	0	113.2	K247 K253 K255 N256 E257	K247-L251 WeakPolarHBondContact O-CB 3.35Å; K247-L251 PolarHBondContact O-N 2.83Å; L251-K253 VanDerWaalsContact C-N 3.35Å; L251-K253 PolarHBondContact O-N 3.18Å; L251-K255 WeakPolarHBondContact O-CA 3.25Å; L251-K255 PolarHBondContact O-N 2.82Å; L251-N256 WeakPolarHBondContact CA-O 3.32Å; L251-N256 VanDerWaalsContact CD1-O 3.31Å; L251-N256 WeakPolarHBondContact CD1-O 3.18Å; L251-E257 HydrophobicContact CD1-CG 4.43Å
252	D	96.9	Very high	95.4	Very high	64 Å²	64	64 Å²	64	34%	0.342	30%	0.302	S	S	.	.	H	α-helix	trans	-61.2	-42.8	175.7	174.6	54.7	0	0	0	112.5	K248 K249 F250 K270	K248-D252 WeakPolarHBondContact O-CB 3.25Å; K248-D252 PolarHBondContact O-N 2.82Å; K249-D252 PolarHBondContact O-N 2.87Å; F250-D252 VanDerWaalsContact C-N 3.33Å; F250-D252 PolarHBondContact O-N 3.43Å; D252-K270 PolarHBondContact O-NZ 2.87Å; D252-K270 VanDerWaalsContact O-NZ 3.1Å
253	K	96.1	Very high	95	Very high	46 Å²	46	67.1 Å²	67.1	20%	0.2	32%	0.324	C	S	.	.	H	α-helix	trans	-81	-33.6	-175.3	-63	-47.2	177.6	-146	0	113.8	L189 Y202 K249 F250 L251 K270 Y271	L189-K253 HydrophobicContact CD1-CB 3.87Å; Y202-K253 HydrophobicContact CD1-CG 4.44Å; Y202-K253 HydrophobicContact CD2-CD 4.37Å; Y202-K253 HydrophobicContact CD2-CG 4.43Å; Y202-K253 HydrophobicContact CE2-CD 4.43Å; Y202-K253 HydrophobicContact CG-CG 4.36Å; K249-K253 HydrophobicContact CD-CG 4.41Å; K249-K253 WeakPolarHBondContact O-CG 3.41Å; K249-K253 PolarHBondContact O-N 2.99Å; K249-K253 VanDerWaalsContact O-N 3.1Å; F250-K253 PolarHBondContact O-N 2.8Å; L251-K253 VanDerWaalsContact C-N 3.35Å; L251-K253 PolarHBondContact O-N 3.18Å; K253-K270 WeakPolarHBondContact O-CB 3.24Å; K253-Y271 HydrophobicContact CB-CD2 4.09Å; K253-Y271 HydrophobicContact CD-CD2 4.38Å; K253-Y271 HydrophobicContact CD-CE2 4.25Å; K253-Y271 PolarHBondContact O-N 3.11Å; K253-Y271 VanDerWaalsContact O-N 3.09Å
254	T	95.9	Very high	94.7	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-110.4	-21.8	-173	66.4	0	0	0	0	113.8	L189 F250 N256 F264	L189-T254 HydrophobicContact CD1-CG2 3.67Å; L189-T254 HydrophobicContact CD2-CG2 3.72Å; L189-T254 HydrophobicContact CG-CG2 4.36Å; F250-T254 HydrophobicContact CD2-CG2 4Å; F250-T254 HydrophobicContact CE2-CG2 3.79Å; F250-T254 HydrophobicContact CG-CG2 4.49Å; F250-T254 HydrophobicContact CZ-CG2 4.1Å; F250-T254 PolarHBondContact O-N 3.44Å; F250-T254 PolarHBondContact O-OG1 2.94Å; T254-N256 PolarHBondContact O-N 2.88Å; T254-N256 PolarHBondContact O-ND2 3.2Å; T254-N256 PolarHBondContact OG1-N 3.15Å; T254-N256 VanDerWaalsContact OG1-N 3.1Å; T254-N256 PolarHBondContact OG1-O 2.71Å; T254-F264 HydrophobicContact CG2-CE2 3.93Å; T254-F264 HydrophobicContact CG2-CZ 4.37Å
255	K	96.6	Very high	94.3	Very high	115 Å²	115	69.6 Å²	69.6	50%	0.5	33%	0.332	S	S	.	.	S	Bend	trans	61	19.5	-167.6	-61	-64.6	-174.7	-177.5	0	114.5	L251 V267 K270	L251-K255 WeakPolarHBondContact O-CA 3.25Å; L251-K255 PolarHBondContact O-N 2.82Å; K255-V267 HydrophobicContact CB-CB 4.43Å; K255-V267 HydrophobicContact CB-CG2 4.01Å; K255-K270 HydrophobicContact CG-CD 4.12Å; K255-K270 HydrophobicContact CG-CG 3.9Å
256	N	96.4	Very high	94	Very high	22 Å²	22	71.9 Å²	71.9	12%	0.118	34%	0.338	C	S	.	.	S	Bend	trans	-114.6	149.3	174.1	-73	-98.3	0	0	0	110.2	F250 L251 T254 F264 E265	F250-N256 VanDerWaalsContact CD1-O 3.25Å; F250-N256 WeakPolarHBondContact CD1-O 3.31Å; F250-N256 HydrophobicContact CE1-CB 4.08Å; F250-N256 VanDerWaalsContact CE1-O 3.31Å; F250-N256 WeakPolarHBondContact CE1-O 3.43Å; L251-N256 WeakPolarHBondContact CA-O 3.32Å; L251-N256 VanDerWaalsContact CD1-O 3.31Å; L251-N256 WeakPolarHBondContact CD1-O 3.18Å; T254-N256 PolarHBondContact O-N 2.88Å; T254-N256 PolarHBondContact O-ND2 3.2Å; T254-N256 PolarHBondContact OG1-N 3.15Å; T254-N256 VanDerWaalsContact OG1-N 3.1Å; T254-N256 PolarHBondContact OG1-O 2.71Å; N256-F264 HydrophobicContact CB-CD2 3.83Å; N256-F264 HydrophobicContact CB-CE2 4.01Å; N256-E265 PolarHBondContact ND2-O 2.76Å; N256-E265 PolarHBondContact OD1-N 3.07Å
257	E	95.5	Very high	93.6	Very high	111 Å²	111	74.8 Å²	74.8	52%	0.519	36%	0.356	S	S	.	.			trans	-78.1	136	173.2	-68.3	177.1	-179.8	0	0	110.4	L251 D259 R260 R261	L251-E257 HydrophobicContact CD1-CG 4.43Å; E257-D259 VanDerWaalsContact C-N 3.32Å; E257-D259 PolarHBondContact O-N 2.68Å; E257-R260 HydrophobicContact CB-CB 4.34Å; E257-R260 CarbonylContact O-C 3.44Å; E257-R260 PolarHBondContact O-N 3.5Å; E257-R260 WeakPolarHBondContact OE2-CD 3.47Å; E257-R261 PolarHBondContact O-N 3.09Å
258	W	94.3	Very high	93.1	Very high	8 Å²	8	77 Å²	77	3%	0.03	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-60.2	-41.7	-179.4	173.4	-100.8	0	0	0	112.8	V184 Y185 V187 F246 K247 F250 R260 R261	V184-W258 WeakPolarHBondContact O-CZ2 3.23Å; Y185-W258 AromaticContact CE1-NE1 3.8Å; Y185-W258 AromaticContact CZ-NE1 3.9Å; V187-W258 HydrophobicContact CB-CH2 4.35Å; V187-W258 HydrophobicContact CB-CZ3 3.92Å; V187-W258 HydrophobicContact CG1-CZ3 4.22Å; V187-W258 HydrophobicContact CG2-CZ3 4.35Å; F246-W258 HydrophobicContact CD1-CD2 4.33Å; F246-W258 AromaticContact CE1-CD2 3.57Å; F246-W258 HydrophobicContact CE1-CD2 3.57Å; F246-W258 AromaticContact CE1-CE2 3.73Å; F246-W258 AromaticContact CE1-CE3 3.58Å; F246-W258 HydrophobicContact CE1-CE3 3.58Å; F246-W258 HydrophobicContact CE1-CG 4.24Å; F246-W258 AromaticContact CE1-CH2 3.87Å; F246-W258 HydrophobicContact CE1-CH2 3.87Å; F246-W258 AromaticContact CE1-CZ2 3.89Å; F246-W258 HydrophobicContact CE1-CZ2 3.89Å; F246-W258 AromaticContact CE1-CZ3 3.73Å; F246-W258 HydrophobicContact CE1-CZ3 3.73Å; F246-W258 HydrophobicContact CZ-CE3 4.26Å; F246-W258 AromaticContact CZ-CH2 3.86Å; F246-W258 HydrophobicContact CZ-CH2 3.86Å; F246-W258 HydrophobicContact CZ-CZ2 4.14Å; F246-W258 AromaticContact CZ-CZ3 3.93Å; F246-W258 HydrophobicContact CZ-CZ3 3.93Å; K247-W258 HydrophobicContact CB-CB 4.3Å; K247-W258 HydrophobicContact CD-CB 4.38Å; K247-W258 HydrophobicContact CG-CB 3.79Å; K247-W258 HydrophobicContact CG-CG 4.06Å; F250-W258 HydrophobicContact CD1-CB 3.99Å; F250-W258 HydrophobicContact CD1-CE3 4.22Å; F250-W258 AromaticContact CD2-CE3 3.92Å; F250-W258 HydrophobicContact CD2-CE3 3.92Å; F250-W258 HydrophobicContact CD2-CZ3 4.29Å; F250-W258 HydrophobicContact CE1-CB 4.42Å; F250-W258 HydrophobicContact CE1-CE3 4.29Å; F250-W258 HydrophobicContact CE2-CE3 4Å; F250-W258 HydrophobicContact CE2-CZ3 4.23Å; F250-W258 HydrophobicContact CG-CE3 4.02Å; F250-W258 HydrophobicContact CZ-CE3 4.18Å; W258-R260 PolarHBondContact O-N 3.28Å; W258-R261 WeakPolarHBondContact O-CB 3.39Å; W258-R261 VanDerWaalsContact O-CD 3.26Å; W258-R261 WeakPolarHBondContact O-CD 3.25Å; W258-R261 WeakPolarHBondContact O-CG 3.39Å; W258-R261 PolarHBondContact O-N 3.35Å; W258-R261 PolarHBondContact O-NH1 3.39Å; W258-R261 VanDerWaalsContact O-NH1 3.09Å
259	D	92.2	Very high	92.6	Very high	95 Å²	95	72.2 Å²	72.2	51%	0.508	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-72.7	-10	-177	-57.5	-43.5	0	0	0	112.5	K247 E257	K247-D259 VanDerWaalsContact CE-OD1 3.3Å; K247-D259 WeakPolarHBondContact CE-OD1 3.18Å; K247-D259 IonicContact NZ-OD1 2.72Å; K247-D259 PolarHBondContact NZ-OD1 2.88Å; K247-D259 IonicContact NZ-OD2 3.47Å; K247-D259 PolarHBondContact NZ-OD2 3.49Å; E257-D259 VanDerWaalsContact C-N 3.32Å; E257-D259 PolarHBondContact O-N 2.68Å
260	R	90.5	Very high	92.4	Very high	160 Å²	160	72.1 Å²	72.1	60%	0.604	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-119.2	21.3	178.9	-61	-174.3	63	-172.5	-3.2	112.7	E257 W258 D262 S263	E257-R260 HydrophobicContact CB-CB 4.34Å; E257-R260 CarbonylContact O-C 3.44Å; E257-R260 PolarHBondContact O-N 3.5Å; E257-R260 WeakPolarHBondContact OE2-CD 3.47Å; W258-R260 PolarHBondContact O-N 3.28Å; R260-D262 PolarHBondContact O-N 2.91Å; R260-S263 PolarHBondContact O-N 2.84Å; R260-S263 PolarHBondContact O-OG 2.84Å
261	R	90.1	Very high	92.2	Very high	48 Å²	48	73.6 Å²	73.6	18%	0.181	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-66.3	-17.6	-176.8	69.1	-170.2	-177.1	-88.8	0.3	114.1	D183 F250 E257 W258 S263 F264	D183-R261 IonicContact OD1-CZ 2.93Å; D183-R261 VanDerWaalsContact OD1-CZ 3.24Å; D183-R261 IonicContact OD1-NH1 2.61Å; D183-R261 PolarHBondContact OD1-NH1 2.93Å; D183-R261 IonicContact OD1-NH2 3.28Å; D183-R261 PolarHBondContact OD1-NH2 3.39Å; D183-R261 IonicContact OD2-CZ 3.55Å; D183-R261 IonicContact OD2-NH1 3.3Å; D183-R261 PolarHBondContact OD2-NH1 3.18Å; D183-R261 IonicContact OD2-NH2 3.61Å; D183-R261 PolarHBondContact OD2-NH2 3.22Å; F250-R261 HydrophobicContact CZ-CB 4.38Å; E257-R261 PolarHBondContact O-N 3.09Å; W258-R261 WeakPolarHBondContact O-CB 3.39Å; W258-R261 VanDerWaalsContact O-CD 3.26Å; W258-R261 WeakPolarHBondContact O-CD 3.25Å; W258-R261 WeakPolarHBondContact O-CG 3.39Å; W258-R261 PolarHBondContact O-N 3.35Å; W258-R261 PolarHBondContact O-NH1 3.39Å; W258-R261 VanDerWaalsContact O-NH1 3.09Å; R261-S263 PolarHBondContact O-N 2.9Å; R261-F264 WeakPolarHBondContact O-CB 3.49Å; R261-F264 PolarHBondContact O-N 2.83Å
262	D	85.4	Confident	91.9	Very high	158 Å²	158	70.7 Å²	70.7	85%	0.845	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-62.4	-24.6	171.4	-58.7	-26.8	0	0	0	111.9	R260	R260-D262 PolarHBondContact O-N 2.91Å
263	S	88.4	Confident	91.5	Very high	66 Å²	66	68.2 Å²	68.2	46%	0.462	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-105.3	33.3	171.9	55.7	0	0	0	0	112.5	R260 R261 E265	R260-S263 PolarHBondContact O-N 2.84Å; R260-S263 PolarHBondContact O-OG 2.84Å; R261-S263 PolarHBondContact O-N 2.9Å; S263-E265 PolarHBondContact O-N 3.43Å
264	F	90.9	Very high	90.9	Very high	34 Å²	34	66.2 Å²	66.2	15%	0.149	35%	0.349	C	S	.	.			trans	-58.5	130	-178	-178	-83.5	0	0	0	112.1	F250 T254 N256 R261 K266 D272 L273	F250-F264 HydrophobicContact CZ-CD2 4.11Å; F250-F264 HydrophobicContact CZ-CE2 4.1Å; T254-F264 HydrophobicContact CG2-CE2 3.93Å; T254-F264 HydrophobicContact CG2-CZ 4.37Å; N256-F264 HydrophobicContact CB-CD2 3.83Å; N256-F264 HydrophobicContact CB-CE2 4.01Å; R261-F264 WeakPolarHBondContact O-CB 3.49Å; R261-F264 PolarHBondContact O-N 2.83Å; F264-K266 HydrophobicContact CE1-CB 4.36Å; F264-D272 WeakPolarHBondContact CE1-OD1 3.45Å; F264-L273 HydrophobicContact CD1-CB 4.31Å; F264-L273 HydrophobicContact CD2-CB 4.27Å; F264-L273 HydrophobicContact CD2-CD2 4.41Å; F264-L273 HydrophobicContact CE1-CB 4.17Å; F264-L273 HydrophobicContact CE2-CB 4.09Å; F264-L273 HydrophobicContact CG-CB 4.37Å; F264-L273 HydrophobicContact CG-CD2 4.46Å; F264-L273 HydrophobicContact CZ-CB 4.06Å
265	E	90.3	Very high	90.1	Very high	149 Å²	149	70.7 Å²	70.7	70%	0.696	37%	0.369	S	S	*	.			trans	-118	125.8	174.4	-69.9	-173.5	176.7	0	0	111.4	N256 S263 V267	N256-E265 PolarHBondContact ND2-O 2.76Å; N256-E265 PolarHBondContact OD1-N 3.07Å; S263-E265 PolarHBondContact O-N 3.43Å; E265-V267 PolarHBondContact O-N 3.24Å; E265-V267 VanDerWaalsContact O-N 3.16Å
266	K	89.3	Confident	89.1	Confident	86 Å²	86	66.7 Å²	66.7	37%	0.374	35%	0.352	S	S	.	.			trans	-68.9	115.1	-180	179.6	54.1	170.7	75.2	0	111.4	F264 K270 D272	F264-K266 HydrophobicContact CE1-CB 4.36Å; K266-K270 VanDerWaalsContact CE-O 3.29Å; K266-K270 WeakPolarHBondContact CE-O 3.26Å; K266-K270 PolarHBondContact NZ-O 3.49Å; K266-D272 HydrophobicContact CD-CB 3.62Å; K266-D272 VanDerWaalsContact CD-CG 3.48Å; K266-D272 VanDerWaalsContact CE-CB 3.44Å
267	V	91.1	Very high	87.8	Confident	60 Å²	60	68.2 Å²	68.2	36%	0.364	36%	0.36	S	S	.	.			trans	-89.5	133.3	174.6	-177.9	0	0	0	0	111.7	K255 E265 G269 K270	K255-V267 HydrophobicContact CB-CB 4.43Å; K255-V267 HydrophobicContact CB-CG2 4.01Å; E265-V267 PolarHBondContact O-N 3.24Å; E265-V267 VanDerWaalsContact O-N 3.16Å; V267-G269 PolarHBondContact O-N 3.5Å; V267-K270 HydrophobicContact CB-CB 4.18Å; V267-K270 HydrophobicContact CB-CG 4.26Å; V267-K270 HydrophobicContact CG1-CG 4.13Å; V267-K270 WeakPolarHBondContact O-CB 3.41Å; V267-K270 PolarHBondContact O-N 3.04Å; V267-K270 VanDerWaalsContact O-N 3.16Å
268	A	86.9	Confident	86.2	Confident	94 Å²	94	64.2 Å²	64.2	78%	0.777	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	137.5	177.7	0	0	0	0	0	112.1	K270	A268-K270 PolarHBondContact O-N 3.07Å; A268-K270 VanDerWaalsContact O-N 3.13Å
269	G	86.2	Confident	84.1	Confident	64 Å²	64	66.4 Å²	66.4	66%	0.66	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	2.3	-179	0	0	0	0	0	115.7	Q191 V267	Q191-G269 PolarHBondContact NE2-O 3Å; V267-G269 PolarHBondContact O-N 3.5Å
270	K	92.4	Very high	81.8	Confident	59 Å²	59	64.6 Å²	64.6	26%	0.257	36%	0.358	S	S	.	.	S	Bend	trans	-107.1	172.7	173.4	-66.4	-66.5	-176.8	169.7	0	112.2	Q191 D252 K253 K255 K266 V267 A268	Q191-K270 PolarHBondContact NE2-O 3.46Å; Q191-K270 VanDerWaalsContact NE2-O 3.12Å; D252-K270 PolarHBondContact O-NZ 2.87Å; D252-K270 VanDerWaalsContact O-NZ 3.1Å; K253-K270 WeakPolarHBondContact O-CB 3.24Å; K255-K270 HydrophobicContact CG-CD 4.12Å; K255-K270 HydrophobicContact CG-CG 3.9Å; K266-K270 VanDerWaalsContact CE-O 3.29Å; K266-K270 WeakPolarHBondContact CE-O 3.26Å; K266-K270 PolarHBondContact NZ-O 3.49Å; V267-K270 HydrophobicContact CB-CB 4.18Å; V267-K270 HydrophobicContact CB-CG 4.26Å; V267-K270 HydrophobicContact CG1-CG 4.13Å; V267-K270 WeakPolarHBondContact O-CB 3.41Å; V267-K270 PolarHBondContact O-N 3.04Å; V267-K270 VanDerWaalsContact O-N 3.16Å; A268-K270 PolarHBondContact O-N 3.07Å; A268-K270 VanDerWaalsContact O-N 3.13Å
271	Y	93.3	Very high	79.7	Confident	31 Å²	31	59.1 Å²	59.1	12%	0.122	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-73	151.1	175.8	-71.8	-102.1	0	0	0	110.9	L189 Q191 K200 K253	L189-Y271 HydrophobicContact CB-CD1 3.95Å; L189-Y271 HydrophobicContact CB-CG 4.23Å; Q191-Y271 HydrophobicContact CB-CD1 3.7Å; Q191-Y271 HydrophobicContact CB-CE1 3.92Å; Q191-Y271 HydrophobicContact CB-CG 4.05Å; K200-Y271 HydrophobicContact CB-CE1 4.26Å; K253-Y271 HydrophobicContact CB-CD2 4.09Å; K253-Y271 HydrophobicContact CD-CD2 4.38Å; K253-Y271 HydrophobicContact CD-CE2 4.25Å; K253-Y271 PolarHBondContact O-N 3.11Å; K253-Y271 VanDerWaalsContact O-N 3.09Å
272	D	92.2	Very high	77.3	Confident	14 Å²	14	62.2 Å²	62.2	8%	0.075	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	159.9	170	-149.5	-14.6	0	0	0	110.3	L189 N190 F264 K266 T374	L189-D272 CarbonylContact C-O 3.48Å; L189-D272 VanDerWaalsContact CA-O 3.23Å; L189-D272 WeakPolarHBondContact CA-O 3.39Å; N190-D272 PolarHBondContact N-O 3.43Å; N190-D272 PolarHBondContact O-N 3.37Å; F264-D272 WeakPolarHBondContact CE1-OD1 3.45Å; K266-D272 HydrophobicContact CD-CB 3.62Å; K266-D272 VanDerWaalsContact CD-CG 3.48Å; K266-D272 VanDerWaalsContact CE-CB 3.44Å; D272-T374 HydrophobicContact CB-CG2 3.31Å
273	L	88.2	Confident	75.1	Confident	13 Å²	13	62.5 Å²	62.5	7%	0.068	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	135.9	175.2	-170.3	64.3	0	0	0	109.9	V187 L189 F250 F264 F275	V187-L273 HydrophobicContact CG2-CD1 3.23Å; L189-L273 HydrophobicContact CD2-CD1 3.88Å; F250-L273 HydrophobicContact CE2-CD1 4.35Å; F264-L273 HydrophobicContact CD1-CB 4.31Å; F264-L273 HydrophobicContact CD2-CB 4.27Å; F264-L273 HydrophobicContact CD2-CD2 4.41Å; F264-L273 HydrophobicContact CE1-CB 4.17Å; F264-L273 HydrophobicContact CE2-CB 4.09Å; F264-L273 HydrophobicContact CG-CB 4.37Å; F264-L273 HydrophobicContact CG-CD2 4.46Å; F264-L273 HydrophobicContact CZ-CB 4.06Å; L273-F275 HydrophobicContact CD2-CD1 3.95Å; L273-F275 HydrophobicContact CD2-CE1 3.43Å; L273-F275 VanDerWaalsContact CD2-CE1 3.43Å; L273-F275 HydrophobicContact CD2-CE2 4.3Å; L273-F275 HydrophobicContact CD2-CZ 3.63Å; L273-F275 HydrophobicContact CG-CD1 4.47Å; L273-F275 HydrophobicContact CG-CE1 4.33Å; L273-F275 HydrophobicContact CG-CZ 4.41Å
274	V	83.9	Confident	72.6	Confident	4 Å²	4	66.5 Å²	66.5	2%	0.024	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	111.1	167.1	-176.3	0	0	0	0	107.4	M188 N190 M276 L337 Q341 P377	M188-V274 HydrophobicContact CB-CB 4.44Å; M188-V274 HydrophobicContact CG-CB 4.44Å; M188-V274 PolarHBondContact O-N 2.81Å; N190-V274 HydrophobicContact CB-CG2 3.65Å; V274-M276 HydrophobicContact CB-CE 4.42Å; V274-M276 HydrophobicContact CG1-CE 3.66Å; V274-M276 HydrophobicContact CG1-SD 4.07Å; V274-M276 PolarHBondContact O-N 2.85Å; V274-L337 HydrophobicContact CG1-CD1 4.26Å; V274-Q341 HydrophobicContact CG1-CG 4.46Å; V274-P377 HydrophobicContact CG2-CG 4.43Å
275	F	78.3	Confident	69.8	Low	94 Å²	94	72.2 Å²	72.2	41%	0.412	39%	0.39	S	S	.	.			trans	-73.7	110.1	-178.1	-67.4	-80.9	0	0	0	110.4	L273 T338 Q341	L273-F275 HydrophobicContact CD2-CD1 3.95Å; L273-F275 HydrophobicContact CD2-CE1 3.43Å; L273-F275 VanDerWaalsContact CD2-CE1 3.43Å; L273-F275 HydrophobicContact CD2-CE2 4.3Å; L273-F275 HydrophobicContact CD2-CZ 3.63Å; L273-F275 HydrophobicContact CG-CD1 4.47Å; L273-F275 HydrophobicContact CG-CE1 4.33Å; L273-F275 HydrophobicContact CG-CZ 4.41Å; F275-T338 HydrophobicContact CB-CG2 3.98Å; F275-T338 WeakPolarHBondContact CB-OG1 3.36Å; F275-T338 WeakPolarHBondContact O-CG2 3.47Å; F275-T338 PolarHBondContact O-N 3.49Å; F275-T338 PolarHBondContact O-OG1 3.23Å; F275-T338 VanDerWaalsContact O-OG1 3.08Å; F275-Q341 HydrophobicContact CB-CB 4.44Å; F275-Q341 VanDerWaalsContact CD2-OE1 3.28Å
276	M	74.8	Confident	66.9	Low	30 Å²	30	71.8 Å²	71.8	15%	0.148	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-107.6	133.8	175	-57.4	-61.5	-164.1	0	0	110.3	M188 V274 Y278 K331 A332 K336	M188-M276 HydrophobicContact CB-CE 4.14Å; M188-M276 HydrophobicContact CG-CE 4.12Å; V274-M276 HydrophobicContact CB-CE 4.42Å; V274-M276 HydrophobicContact CG1-CE 3.66Å; V274-M276 HydrophobicContact CG1-SD 4.07Å; V274-M276 PolarHBondContact O-N 2.85Å; M276-Y278 HydrophobicContact CB-CD2 4Å; M276-Y278 HydrophobicContact CB-CE2 3.38Å; M276-Y278 HydrophobicContact CG-CE2 4.1Å; M276-K331 WeakPolarHBondContact CE-O 3.4Å; M276-A332 HydrophobicContact CE-CB 3.72Å; M276-A332 HydrophobicContact SD-CB 4.38Å; M276-K336 CarbonylContact C-O 3.56Å; M276-K336 VanDerWaalsContact CA-O 3.24Å; M276-K336 WeakPolarHBondContact CA-O 3.43Å
277	D	69	Low	63.9	Low	55 Å²	55	75.9 Å²	75.9	29%	0.294	42%	0.415	S	S	.	.			trans	-100.4	101.7	172.5	-173.2	2.2	0	0	0	110.1	A279 K336 T338	D277-A279 VanDerWaalsContact OD1-CB 3.32Å; D277-A279 WeakPolarHBondContact OD1-CB 3.28Å; D277-A279 PolarHBondContact OD1-N 2.98Å; D277-K336 PolarHBondContact N-O 2.93Å; D277-K336 WeakPolarHBondContact O-CD 3.37Å; D277-T338 HydrophobicContact CB-CG2 3.84Å
278	Y	63.3	Low	61.1	Low	27 Å²	27	79.4 Å²	79.4	11%	0.106	44%	0.437	C	S	.	.			trans	-97.7	-5.2	170.4	-56.2	-74.7	0	0	0	112.7	M158 K161 A162 P163 D186 M276 A280 N281 K336	M158-Y278 WeakPolarHBondContact CE-O 3.33Å; K161-Y278 CarbonylContact O-C 3.57Å; K161-Y278 VanDerWaalsContact O-C 3.28Å; K161-Y278 WeakPolarHBondContact O-CB 3.17Å; A162-Y278 HydrophobicContact CB-CD2 3.87Å; A162-Y278 HydrophobicContact CB-CG 3.9Å; P163-Y278 VanDerWaalsContact CD-CD1 3.44Å; P163-Y278 HydrophobicContact CG-CD1 4.14Å; P163-Y278 HydrophobicContact CG-CE1 4.04Å; D186-Y278 WeakPolarHBondContact OD2-CE2 3.38Å; M276-Y278 HydrophobicContact CB-CD2 4Å; M276-Y278 HydrophobicContact CB-CE2 3.38Å; M276-Y278 HydrophobicContact CG-CE2 4.1Å; Y278-A280 PolarHBondContact O-N 3.34Å; Y278-N281 PolarHBondContact O-N 3.35Å; Y278-K336 HydrophobicContact CD1-CD 4.05Å; Y278-K336 HydrophobicContact CD1-CG 4.29Å; Y278-K336 HydrophobicContact CE1-CB 4.41Å; Y278-K336 HydrophobicContact CE1-CD 4.49Å; Y278-K336 HydrophobicContact CE1-CG 4.23Å
279	A	50	Low	58.4	Low	54 Å²	54	78 Å²	78	45%	0.446	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-70	-14.5	-175.3	0	0	0	0	0	113.2	D277 N281	D277-A279 VanDerWaalsContact OD1-CB 3.32Å; D277-A279 WeakPolarHBondContact OD1-CB 3.28Å; D277-A279 PolarHBondContact OD1-N 2.98Å; A279-N281 PolarHBondContact O-N 2.81Å
280	A	44.2	Very low	56.2	Low	56 Å²	56	82.3 Å²	82.3	46%	0.463	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-66.9	-12.1	178.2	0	0	0	0	0	115	Y278	Y278-A280 PolarHBondContact O-N 3.34Å
281	N	46.5	Very low	53.2	Low	46 Å²	46	86 Å²	86	25%	0.246	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-112.8	33.2	-171.7	-67.2	33.6	0	0	0	113.2	M158 Y278 A279 K283 K336 E415	M158-N281 HydrophobicContact CE-CB 3.49Å; M158-N281 VanDerWaalsContact CE-CB 3.49Å; M158-N281 HydrophobicContact CG-CB 4.49Å; M158-N281 HydrophobicContact SD-CB 3.25Å; M158-N281 WeakPolarHBondContact SD-CB 3.46Å; M158-N281 VanDerWaalsContact SD-CG 3.58Å; M158-N281 PolarHBondContact SD-ND2 2.81Å; Y278-N281 PolarHBondContact O-N 3.35Å; A279-N281 PolarHBondContact O-N 2.81Å; N281-K283 PolarHBondContact O-N 3.09Å; N281-K336 PolarHBondContact ND2-NZ 3.27Å; N281-K336 PolarHBondContact OD1-NZ 3.29Å; N281-E415 PolarHBondContact ND2-OE1 3.02Å; N281-E415 PolarHBondContact OD1-OE1 3.26Å
282	E	38.2	Very low	50.7	Low	113 Å²	113	89 Å²	89	53%	0.528	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	13.5	177.8	-76.8	-171.4	164.7	0	0	115.2	K161	K161-E282 WeakPolarHBondContact CE-OE1 3.18Å; K161-E282 IonicContact NZ-OE1 2.61Å; K161-E282 PolarHBondContact NZ-OE1 3.12Å
283	K	39	Very low	48.2	Very low	163 Å²	163	92.4 Å²	92.4	71%	0.709	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.8	41.8	-172.4	-64.8	-168.8	176.7	-172.7	0	115.7	N281	N281-K283 PolarHBondContact O-N 3.09Å
284	E	36.9	Very low	46.3	Very low	151 Å²	151	96.1 Å²	96.1	71%	0.706	55%	0.547	S	S	*	.			trans	-125.3	48.8	157.2	-76.8	-169.1	165.7	0	0	110.8
285	E	32.1	Very low	44.8	Very low	153 Å²	153	107.6 Å²	107.6	72%	0.715	59%	0.59	S	S	*	*			trans	-94.1	112.9	163.9	-75.2	-169.6	173.6	0	0	109.9
286	N	29.1	Very low	44.2	Very low	141 Å²	141	108.5 Å²	108.5	75%	0.754	59%	0.594	S	S	*	*			trans	94.2	76.7	170.8	-54	-44.7	0	0	0	118.1
287	M	26.8	Very low	44.5	Very low	171 Å²	171	113 Å²	113	84%	0.842	62%	0.615	S	S	*	*			trans	-115.9	79.5	141.3	-78.1	-169.3	71.5	0	0	110
288	T	31	Very low	45.4	Very low	134 Å²	134	115.4 Å²	115.4	82%	0.822	63%	0.633	S	S	*	*			trans	-105.4	78.2	157.7	40.7	0	0	0	0	108.7
289	A	31.4	Very low	46.8	Very low	65 Å²	65	115.3 Å²	115.3	54%	0.537	64%	0.637	S	S	.	*	S	Bend	trans	-178.6	141.2	153.3	0	0	0	0	0	108.9	D291	A289-D291 VanDerWaalsContact C-N 3.32Å; A289-D291 PolarHBondContact O-N 3.41Å
290	V	39.1	Very low	48.9	Very low	155 Å²	155	118.5 Å²	118.5	94%	0.939	65%	0.651	S	S	*	*			trans	-72.7	87.9	172.5	-166.1	0	0	0	0	106.9
291	D	30.5	Very low	51.3	Low	135 Å²	135	117 Å²	117	72%	0.722	63%	0.634	S	S	*	*			trans	-121	140.5	171.5	-88.5	-41.5	0	0	0	110.5	A289	A289-D291 VanDerWaalsContact C-N 3.32Å; A289-D291 PolarHBondContact O-N 3.41Å
292	A	39.7	Very low	53.6	Low	94 Å²	94	118.5 Å²	118.5	78%	0.777	64%	0.643	S	S	*	*			trans	-45.2	136.6	-169.2	0	0	0	0	0	113	P294	A292-P294 VanDerWaalsContact O-N 3.14Å
293	A	40.8	Very low	56.3	Low	87 Å²	87	116.7 Å²	116.7	72%	0.719	65%	0.647	S	S	*	*			trans	-42.9	122.7	176.2	0	0	0	0	0	110.3	R295	A293-R295 PolarHBondContact O-N 2.9Å; A293-R295 VanDerWaalsContact O-N 3.13Å
294	P	48.7	Very low	59.1	Low	90 Å²	90	111.9 Å²	111.9	58%	0.584	63%	0.626	S	S	*	*			trans	-57.6	126.2	179.1	21.4	-29.6	0	0	0	107.3	A292 K296	A292-P294 VanDerWaalsContact O-N 3.14Å; P294-K296 PolarHBondContact O-N 3.43Å
295	R	52.4	Low	61.9	Low	245 Å²	245	105 Å²	105	93%	0.925	59%	0.594	S	S	*	*			trans	-68.4	78.1	175.8	-70.1	179.5	178	174.2	-0.6	107.7	A293 Q297	A293-R295 PolarHBondContact O-N 2.9Å; A293-R295 VanDerWaalsContact O-N 3.13Å; R295-Q297 PolarHBondContact O-N 3.03Å
296	K	64.7	Low	64.9	Low	113 Å²	113	100.1 Å²	100.1	49%	0.491	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-53.2	132.1	173.9	-64.7	-172.5	-179.5	-176.9	0	107.8	P294 P424	P294-K296 PolarHBondContact O-N 3.43Å; K296-P424 HydrophobicContact CD-CG 4.11Å
297	Q	81.9	Confident	68.1	Low	126 Å²	126	95.5 Å²	95.5	59%	0.589	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-60.4	149.4	179.7	-64.6	-145.5	7.7	0	0	110.2	R295 D421 H423	R295-Q297 PolarHBondContact O-N 3.03Å; Q297-D421 PolarHBondContact N-O 3.18Å; Q297-H423 WeakPolarHBondContact O-CB 3.08Å; Q297-H423 PolarHBondContact O-CD2 3.29Å
298	P	88.1	Confident	71.4	Confident	105 Å²	105	87.3 Å²	87.3	68%	0.682	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-62	149.1	171.1	27.9	-34.1	0	0	0	110
299	S	92.1	Very high	74.5	Confident	25 Å²	25	81 Å²	81	18%	0.175	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-58.8	141.6	174.4	-174.1	0	0	0	0	111.1	L301 D426	S299-L301 PolarHBondContact OG-N 3.2Å; S299-D426 WeakPolarHBondContact CA-OD2 3.03Å; S299-D426 WeakPolarHBondContact CB-OD2 3.35Å; S299-D426 VanDerWaalsContact OG-CG 3.31Å; S299-D426 PolarHBondContact OG-OD1 3.32Å; S299-D426 PolarHBondContact OG-OD2 2.96Å
300	T	93.1	Very high	77.5	Confident	120 Å²	120	83.2 Å²	83.2	74%	0.736	47%	0.47	S	S	*	.			trans	-96.7	-6	174.3	61.8	0	0	0	0	112.7	D426	T300-D426 PolarHBondContact N-OD1 2.99Å; T300-D426 PolarHBondContact OG1-OD1 2.88Å
301	L	94.6	Very high	80.1	Confident	24 Å²	24	78.1 Å²	78.1	13%	0.126	44%	0.437	C	S	.	.	S	Bend	trans	-75.8	154.2	-177.5	-58.6	-179.6	0	0	0	112.2	S299 L305 Q306 L309 D426 Y429	S299-L301 PolarHBondContact OG-N 3.2Å; L301-L305 HydrophobicContact CB-CD2 4.19Å; L301-L305 HydrophobicContact CD1-CD2 4.24Å; L301-L305 HydrophobicContact CD1-CG 4.38Å; L301-L305 HydrophobicContact CD2-CD2 3.94Å; L301-L305 HydrophobicContact CG-CD2 4.35Å; L301-Q306 HydrophobicContact CB-CG 3.9Å; L301-Q306 PolarHBondContact O-NE2 3.18Å; L301-L309 HydrophobicContact CD1-CD1 3.42Å; L301-L309 VanDerWaalsContact CD1-CD1 3.42Å; L301-D426 HydrophobicContact CD1-CB 4.47Å; L301-D426 HydrophobicContact CG-CB 4.44Å; L301-Y429 HydrophobicContact CD1-CD1 4.46Å; L301-Y429 HydrophobicContact CD1-CG 4.12Å; L301-Y429 HydrophobicContact CD2-CD1 3.71Å; L301-Y429 HydrophobicContact CD2-CE1 4.05Å; L301-Y429 HydrophobicContact CD2-CG 4.17Å
302	D	95.3	Very high	83.1	Confident	79 Å²	79	71.7 Å²	71.7	42%	0.422	40%	0.403	S	S	.	.			trans	-58.4	144.6	170.7	-178.3	-91.6	0	0	0	111.5	K304 L305 Q306 P438	D302-K304 VanDerWaalsContact C-N 3.26Å; D302-K304 PolarHBondContact O-N 3.5Å; D302-K304 WeakPolarHBondContact OD1-CB 3.49Å; D302-K304 WeakPolarHBondContact OD1-CG 3.48Å; D302-K304 PolarHBondContact OD1-N 3.26Å; D302-L305 HydrophobicContact CB-CB 4.31Å; D302-L305 WeakPolarHBondContact O-CA 3.47Å; D302-L305 WeakPolarHBondContact O-CB 3.32Å; D302-L305 PolarHBondContact O-N 3.04Å; D302-Q306 PolarHBondContact O-N 3.46Å; D302-P438 HydrophobicContact CB-CG 4.22Å
303	A	95.6	Very high	85.5	Confident	74 Å²	74	68.2 Å²	68.2	61%	0.612	37%	0.373	S	S	*	.	H	α-helix	trans	-59.5	-34	-176.9	0	0	0	0	0	113.4	L305 S307	A303-L305 VanDerWaalsContact C-N 3.33Å; A303-S307 WeakPolarHBondContact O-CB 3.3Å; A303-S307 PolarHBondContact O-N 3.3Å
304	K	96.4	Very high	87.7	Confident	62 Å²	62	66.8 Å²	66.8	27%	0.27	35%	0.353	S	S	.	.	H	α-helix	trans	-68.3	-36.9	175.7	-61.8	176.3	169.2	-143.6	0	111.2	D302 L308 P438 D470 F472	D302-K304 VanDerWaalsContact C-N 3.26Å; D302-K304 PolarHBondContact O-N 3.5Å; D302-K304 WeakPolarHBondContact OD1-CB 3.49Å; D302-K304 WeakPolarHBondContact OD1-CG 3.48Å; D302-K304 PolarHBondContact OD1-N 3.26Å; K304-L308 WeakPolarHBondContact O-CB 3.36Å; K304-L308 PolarHBondContact O-N 3.47Å; K304-P438 HydrophobicContact CB-CB 4.38Å; K304-P438 HydrophobicContact CD-CB 3.83Å; K304-D470 VanDerWaalsContact CD-OD1 3.26Å; K304-D470 WeakPolarHBondContact CD-OD1 3.45Å; K304-D470 WeakPolarHBondContact CE-OD1 3.46Å; K304-D470 IonicContact NZ-OD1 3.43Å; K304-D470 PolarHBondContact NZ-OD1 3.2Å; K304-F472 HydrophobicContact CB-CE1 4.02Å; K304-F472 HydrophobicContact CB-CZ 4.02Å
305	L	96	Very high	89.3	Confident	6 Å²	6	66 Å²	66	3%	0.031	34%	0.343	C	S	.	.	H	α-helix	trans	-70.9	-42.3	177.4	-176.9	59.6	0	0	0	111.3	L301 D302 A303 S307 L308 L309 Y429 L436	L301-L305 HydrophobicContact CB-CD2 4.19Å; L301-L305 HydrophobicContact CD1-CD2 4.24Å; L301-L305 HydrophobicContact CD1-CG 4.38Å; L301-L305 HydrophobicContact CD2-CD2 3.94Å; L301-L305 HydrophobicContact CG-CD2 4.35Å; D302-L305 HydrophobicContact CB-CB 4.31Å; D302-L305 WeakPolarHBondContact O-CA 3.47Å; D302-L305 WeakPolarHBondContact O-CB 3.32Å; D302-L305 PolarHBondContact O-N 3.04Å; A303-L305 VanDerWaalsContact C-N 3.33Å; L305-S307 VanDerWaalsContact C-N 3.32Å; L305-S307 PolarHBondContact O-N 2.94Å; L305-L308 HydrophobicContact CD1-CD2 4.25Å; L305-L308 WeakPolarHBondContact O-CB 3.37Å; L305-L308 PolarHBondContact O-N 2.63Å; L305-L309 HydrophobicContact CD1-CD1 4.43Å; L305-L309 HydrophobicContact CD1-CG 4.43Å; L305-L309 HydrophobicContact CG-CD1 4.14Å; L305-L309 VanDerWaalsContact O-CG 3.31Å; L305-L309 WeakPolarHBondContact O-CG 3.46Å; L305-L309 PolarHBondContact O-N 3.05Å; L305-Y429 HydrophobicContact CD1-CD2 4.15Å; L305-Y429 HydrophobicContact CD1-CE2 3.93Å; L305-Y429 HydrophobicContact CD2-CD2 3.94Å; L305-Y429 HydrophobicContact CD2-CE1 4.39Å; L305-Y429 HydrophobicContact CD2-CE2 3.56Å; L305-Y429 HydrophobicContact CD2-CG 4.48Å; L305-Y429 HydrophobicContact CG-CD2 4.34Å; L305-Y429 HydrophobicContact CG-CE2 4.24Å; L305-L436 HydrophobicContact CD1-CB 3.83Å; L305-L436 HydrophobicContact CD1-CD1 3.91Å
306	Q	95.8	Very high	90.8	Very high	51 Å²	51	61.1 Å²	61.1	24%	0.238	33%	0.325	C	S	.	.	H	α-helix	trans	-55.7	-49.1	171.9	-67.5	-178.3	48	0	0	110.7	L301 D302 L308 L309 E310 L425	L301-Q306 HydrophobicContact CB-CG 3.9Å; L301-Q306 PolarHBondContact O-NE2 3.18Å; D302-Q306 PolarHBondContact O-N 3.46Å; Q306-L308 VanDerWaalsContact C-N 3.31Å; Q306-L308 PolarHBondContact O-N 3.16Å; Q306-L309 PolarHBondContact O-N 2.76Å; Q306-L309 VanDerWaalsContact O-N 3.16Å; Q306-E310 WeakPolarHBondContact O-CG 3.23Å; Q306-E310 PolarHBondContact O-N 2.9Å; Q306-L425 HydrophobicContact CB-CD1 3.95Å; Q306-L425 HydrophobicContact CG-CD1 4.18Å
307	S	96.5	Very high	91.7	Very high	44 Å²	44	57.8 Å²	57.8	31%	0.308	32%	0.318	S	S	.	.	H	α-helix	trans	-64.4	-31.6	178.4	-175.5	0	0	0	0	113.6	A303 L305 L311 R641	A303-S307 WeakPolarHBondContact O-CB 3.3Å; A303-S307 PolarHBondContact O-N 3.3Å; L305-S307 VanDerWaalsContact C-N 3.32Å; L305-S307 PolarHBondContact O-N 2.94Å; S307-L311 WeakPolarHBondContact O-CB 3.48Å; S307-L311 PolarHBondContact O-N 2.84Å; S307-R641 PolarHBondContact OG-NH1 2.92Å
308	L	96.9	Very high	91.9	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-67.9	-45.8	172.1	174.5	66.2	0	0	0	111.2	K304 L305 Q306 L311 I312 L436 F472 L551 L639	K304-L308 WeakPolarHBondContact O-CB 3.36Å; K304-L308 PolarHBondContact O-N 3.47Å; L305-L308 HydrophobicContact CD1-CD2 4.25Å; L305-L308 WeakPolarHBondContact O-CB 3.37Å; L305-L308 PolarHBondContact O-N 2.63Å; Q306-L308 VanDerWaalsContact C-N 3.31Å; Q306-L308 PolarHBondContact O-N 3.16Å; L308-L311 WeakPolarHBondContact O-CB 3.41Å; L308-L311 PolarHBondContact O-N 2.96Å; L308-I312 HydrophobicContact CD1-CG2 4.21Å; L308-I312 WeakPolarHBondContact O-CG1 3.42Å; L308-I312 PolarHBondContact O-N 3.32Å; L308-L436 HydrophobicContact CD2-CD1 3.92Å; L308-F472 HydrophobicContact CB-CE2 4.38Å; L308-F472 HydrophobicContact CB-CZ 4.03Å; L308-F472 HydrophobicContact CD2-CD1 4.38Å; L308-F472 HydrophobicContact CD2-CD2 4Å; L308-F472 HydrophobicContact CD2-CE1 4.26Å; L308-F472 HydrophobicContact CD2-CE2 3.88Å; L308-F472 HydrophobicContact CD2-CG 4.26Å; L308-F472 HydrophobicContact CD2-CZ 4.01Å; L308-F472 HydrophobicContact CG-CE2 4.49Å; L308-L551 HydrophobicContact CD1-CD1 3.88Å; L308-L551 HydrophobicContact CD1-CD2 3.88Å; L308-L639 HydrophobicContact CD1-CD2 4.29Å; L308-L639 HydrophobicContact CD2-CD2 3.95Å
309	L	94.9	Very high	91.6	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.1	-43.1	-179.9	-68.8	166.1	0	0	0	111.4	L301 L305 Q306 L311 I312 C313 L425 Y429 L432	L301-L309 HydrophobicContact CD1-CD1 3.42Å; L301-L309 VanDerWaalsContact CD1-CD1 3.42Å; L305-L309 HydrophobicContact CD1-CD1 4.43Å; L305-L309 HydrophobicContact CD1-CG 4.43Å; L305-L309 HydrophobicContact CG-CD1 4.14Å; L305-L309 VanDerWaalsContact O-CG 3.31Å; L305-L309 WeakPolarHBondContact O-CG 3.46Å; L305-L309 PolarHBondContact O-N 3.05Å; Q306-L309 PolarHBondContact O-N 2.76Å; Q306-L309 VanDerWaalsContact O-N 3.16Å; L309-L311 PolarHBondContact O-N 2.82Å; L309-I312 HydrophobicContact CD2-CD1 4.47Å; L309-I312 PolarHBondContact O-N 3.13Å; L309-C313 WeakPolarHBondContact O-CA 3.2Å; L309-C313 WeakPolarHBondContact O-CB 3.3Å; L309-C313 PolarHBondContact O-N 2.77Å; L309-L425 HydrophobicContact CB-CD2 3.99Å; L309-L425 HydrophobicContact CD1-CB 4.3Å; L309-Y429 HydrophobicContact CD1-CD2 4.24Å; L309-Y429 HydrophobicContact CD1-CG 4.37Å; L309-Y429 HydrophobicContact CD2-CD2 4.43Å; L309-L432 HydrophobicContact CD2-CD1 3.8Å
310	E	93.9	Very high	91.3	Very high	112 Å²	112	54 Å²	54	52%	0.523	29%	0.289	S	S	.	.	H	α-helix	trans	-55.6	-39.4	172.3	-73.2	172.5	170.8	0	0	111.9	Q306 D314 L425	Q306-E310 WeakPolarHBondContact O-CG 3.23Å; Q306-E310 PolarHBondContact O-N 2.9Å; E310-D314 PolarHBondContact O-N 3.32Å; E310-L425 HydrophobicContact CG-CD1 3.95Å; E310-L425 HydrophobicContact CG-CD2 4.12Å
311	L	94.3	Very high	91	Very high	48 Å²	48	49.2 Å²	49.2	25%	0.251	26%	0.26	S	S	.	.	H	α-helix	trans	-68.8	-45.6	178.4	177.8	65.9	0	0	0	112.5	S307 L308 L309 L499 V549 L551	S307-L311 WeakPolarHBondContact O-CB 3.48Å; S307-L311 PolarHBondContact O-N 2.84Å; L308-L311 WeakPolarHBondContact O-CB 3.41Å; L308-L311 PolarHBondContact O-N 2.96Å; L309-L311 PolarHBondContact O-N 2.82Å; L311-L499 HydrophobicContact CD1-CD1 3.95Å; L311-L499 HydrophobicContact CD2-CD2 4.08Å; L311-L499 HydrophobicContact CG-CD1 4.44Å; L311-L499 HydrophobicContact CG-CD2 4.14Å; L311-V549 HydrophobicContact CD2-CG1 3.86Å; L311-L551 HydrophobicContact CD2-CD2 4.44Å
312	I	93.7	Very high	90.5	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-89.8	-16.7	-173.3	69	175.6	0	0	0	113.7	L308 L309 M318 W502 V503 L506 L551	L308-I312 HydrophobicContact CD1-CG2 4.21Å; L308-I312 WeakPolarHBondContact O-CG1 3.42Å; L308-I312 PolarHBondContact O-N 3.32Å; L309-I312 HydrophobicContact CD2-CD1 4.47Å; L309-I312 PolarHBondContact O-N 3.13Å; I312-M318 WeakPolarHBondContact O-CE 3.39Å; I312-W502 HydrophobicContact CB-CB 4.38Å; I312-W502 HydrophobicContact CG2-CB 4.04Å; I312-V503 HydrophobicContact CB-CG2 4.21Å; I312-V503 HydrophobicContact CD1-CG2 4.17Å; I312-V503 HydrophobicContact CG1-CG2 3.99Å; I312-V503 WeakPolarHBondContact O-CG2 3.07Å; I312-L506 HydrophobicContact CD1-CD1 3.76Å; I312-L551 HydrophobicContact CG2-CD1 3.48Å; I312-L551 VanDerWaalsContact CG2-CD1 3.48Å
313	C	89	Confident	90	Very high	20 Å²	20	47.9 Å²	47.9	14%	0.135	25%	0.253	C	S	.	.	S	Bend	trans	-103.5	12.2	178.1	-62.8	0	0	0	0	112.9	L309 L315	L309-C313 WeakPolarHBondContact O-CA 3.2Å; L309-C313 WeakPolarHBondContact O-CB 3.3Å; L309-C313 PolarHBondContact O-N 2.77Å; C313-L315 PolarHBondContact O-N 2.94Å; C313-L315 VanDerWaalsContact O-N 3.12Å
314	D	87.6	Confident	89.6	Confident	57 Å²	57	50.1 Å²	50.1	31%	0.305	25%	0.251	S	S	.	.			trans	-74.9	99.8	174.5	-168.5	-13.3	0	0	0	111.4	E310 R316 A317 M318	E310-D314 PolarHBondContact O-N 3.32Å; D314-R316 PolarHBondContact O-N 3.28Å; D314-R316 VanDerWaalsContact OD1-CB 3.3Å; D314-R316 WeakPolarHBondContact OD1-CB 3.2Å; D314-R316 PolarHBondContact OD1-N 3.32Å; D314-R316 IonicContact OD1-NE 3.8Å; D314-A317 HydrophobicContact CB-CB 3.93Å; D314-A317 PolarHBondContact O-N 2.84Å; D314-A317 PolarHBondContact OD1-N 2.73Å; D314-M318 WeakPolarHBondContact O-CG 3.34Å; D314-M318 PolarHBondContact O-N 3.48Å; D314-M318 VanDerWaalsContact O-N 3.07Å
315	L	83.3	Confident	89.1	Confident	73 Å²	73	48.3 Å²	48.3	38%	0.382	24%	0.243	S	C	.	.	H	α-helix	trans	-61.4	-27.5	177.4	-64.6	178.6	0	0	0	113.1	C313 M318 E319 V411	C313-L315 PolarHBondContact O-N 2.94Å; C313-L315 VanDerWaalsContact O-N 3.12Å; L315-M318 HydrophobicContact CD2-SD 3.97Å; L315-E319 PolarHBondContact O-N 3.3Å; L315-V411 HydrophobicContact CD2-CG2 3.82Å
316	R	82.4	Confident	88.8	Confident	143 Å²	143	53 Å²	53	54%	0.54	26%	0.264	S	S	.	.	H	α-helix	trans	-69.7	-45.7	175.4	-69.6	-178.7	-77.4	-163.6	-0.3	110.9	V153 D314 M318 E319 E320	V153-R316 HydrophobicContact CG2-CG 3.42Å; V153-R316 VanDerWaalsContact CG2-CG 3.42Å; D314-R316 PolarHBondContact O-N 3.28Å; D314-R316 VanDerWaalsContact OD1-CB 3.3Å; D314-R316 WeakPolarHBondContact OD1-CB 3.2Å; D314-R316 PolarHBondContact OD1-N 3.32Å; D314-R316 IonicContact OD1-NE 3.8Å; R316-M318 PolarHBondContact O-N 3.11Å; R316-E319 WeakPolarHBondContact O-CA 3.44Å; R316-E319 WeakPolarHBondContact O-CB 3.26Å; R316-E319 PolarHBondContact O-N 3.07Å; R316-E320 WeakPolarHBondContact O-CG 3.27Å; R316-E320 PolarHBondContact O-N 2.95Å
317	A	84.8	Confident	88.4	Confident	43 Å²	43	50.7 Å²	50.7	36%	0.355	25%	0.253	S	S	.	.	H	α-helix	trans	-61.5	-37.3	176.8	0	0	0	0	0	111.3	D314 E319 C321	D314-A317 HydrophobicContact CB-CB 3.93Å; D314-A317 PolarHBondContact O-N 2.84Å; D314-A317 PolarHBondContact OD1-N 2.73Å; A317-E319 VanDerWaalsContact C-N 3.34Å; A317-C321 WeakPolarHBondContact O-CB 3.43Å; A317-C321 PolarHBondContact O-N 2.99Å
318	M	85.2	Confident	87.7	Confident	6 Å²	6	48.8 Å²	48.8	3%	0.03	24%	0.239	C	C	.	.	H	α-helix	trans	-62.7	-39.7	171.6	-67.9	179.5	-165.9	0	0	112.5	I312 D314 L315 R316 C321 V322 L334 I407 A410 V503	I312-M318 WeakPolarHBondContact O-CE 3.39Å; D314-M318 WeakPolarHBondContact O-CG 3.34Å; D314-M318 PolarHBondContact O-N 3.48Å; D314-M318 VanDerWaalsContact O-N 3.07Å; L315-M318 HydrophobicContact CD2-SD 3.97Å; R316-M318 PolarHBondContact O-N 3.11Å; M318-C321 PolarHBondContact O-N 2.89Å; M318-V322 PolarHBondContact O-N 2.83Å; M318-L334 HydrophobicContact CB-CD1 4.12Å; M318-I407 HydrophobicContact CB-CD1 3.98Å; M318-I407 HydrophobicContact CB-CG1 3.96Å; M318-I407 HydrophobicContact CB-CG2 4.4Å; M318-I407 HydrophobicContact CG-CG1 4.08Å; M318-I407 HydrophobicContact SD-CB 4.45Å; M318-I407 HydrophobicContact SD-CG1 3.99Å; M318-I407 HydrophobicContact SD-CG2 4.17Å; M318-A410 HydrophobicContact CE-CB 3.7Å; M318-A410 HydrophobicContact SD-CB 3.8Å; M318-V503 HydrophobicContact CE-CG2 4.36Å
319	E	82.6	Confident	86.8	Confident	63 Å²	63	49.1 Å²	49.1	29%	0.294	24%	0.241	S	C	.	.	H	α-helix	trans	-65.3	-48.7	177.5	-161.6	179.9	177.3	0	0	111.5	L315 R316 A317 C321 V322 L323 T329 L334	L315-E319 PolarHBondContact O-N 3.3Å; R316-E319 WeakPolarHBondContact O-CA 3.44Å; R316-E319 WeakPolarHBondContact O-CB 3.26Å; R316-E319 PolarHBondContact O-N 3.07Å; A317-E319 VanDerWaalsContact C-N 3.34Å; E319-C321 VanDerWaalsContact C-N 3.27Å; E319-C321 PolarHBondContact O-N 2.91Å; E319-V322 VanDerWaalsContact O-CG2 3.31Å; E319-V322 WeakPolarHBondContact O-CG2 3.49Å; E319-V322 PolarHBondContact O-N 3.3Å; E319-L323 HydrophobicContact CG-CD1 4.13Å; E319-L323 WeakPolarHBondContact O-CB 3.31Å; E319-L323 VanDerWaalsContact O-CG 3.25Å; E319-L323 WeakPolarHBondContact O-CG 3.35Å; E319-L323 PolarHBondContact O-N 3.2Å; E319-T329 HydrophobicContact CG-CG2 3.69Å; E319-T329 WeakPolarHBondContact OE1-CB 3.39Å; E319-T329 PolarHBondContact OE1-OG1 3.42Å; E319-L334 HydrophobicContact CB-CD1 3.68Å; E319-L334 HydrophobicContact CB-CG 4.45Å; E319-L334 HydrophobicContact CG-CD1 4.12Å; E319-L334 HydrophobicContact CG-CG 4.38Å
320	E	85	Confident	85.7	Confident	108 Å²	108	55.8 Å²	55.8	51%	0.505	27%	0.266	S	S	.	.	H	α-helix	trans	-57.2	-41.4	175.3	-70.4	177.5	-174.7	0	0	111.5	R316 V322 L323 E324	R316-E320 WeakPolarHBondContact O-CG 3.27Å; R316-E320 PolarHBondContact O-N 2.95Å; E320-V322 PolarHBondContact O-N 2.89Å; E320-L323 PolarHBondContact O-N 2.86Å; E320-E324 PolarHBondContact O-N 3.45Å
321	C	86.4	Confident	84.5	Confident	20 Å²	20	50.8 Å²	50.8	14%	0.135	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-47.2	177.9	-176.2	0	0	0	0	112.4	A317 M318 E319 E324 M325	A317-C321 WeakPolarHBondContact O-CB 3.43Å; A317-C321 PolarHBondContact O-N 2.99Å; M318-C321 PolarHBondContact O-N 2.89Å; E319-C321 VanDerWaalsContact C-N 3.27Å; E319-C321 PolarHBondContact O-N 2.91Å; C321-E324 WeakPolarHBondContact O-CB 3.44Å; C321-E324 PolarHBondContact O-N 3.37Å; C321-M325 WeakPolarHBondContact O-CG 3.39Å; C321-M325 PolarHBondContact O-N 3.41Å
322	V	84.8	Confident	83.4	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-76.9	-26.9	-179.4	-61.1	0	0	0	0	112.4	M318 E319 E320 E324 M325 K326 F327 T329 L334 L400 L404 I407	M318-V322 PolarHBondContact O-N 2.83Å; E319-V322 VanDerWaalsContact O-CG2 3.31Å; E319-V322 WeakPolarHBondContact O-CG2 3.49Å; E319-V322 PolarHBondContact O-N 3.3Å; E320-V322 PolarHBondContact O-N 2.89Å; V322-E324 VanDerWaalsContact C-N 3.34Å; V322-M325 CarbonylContact O-C 3.58Å; V322-M325 PolarHBondContact O-N 3.22Å; V322-K326 PolarHBondContact O-N 3.22Å; V322-F327 HydrophobicContact CB-CB 4.04Å; V322-F327 HydrophobicContact CB-CD1 4.24Å; V322-F327 HydrophobicContact CB-CG 4.48Å; V322-F327 HydrophobicContact CG2-CB 4.44Å; V322-F327 HydrophobicContact CG2-CD1 3.95Å; V322-F327 VanDerWaalsContact O-CB 3.3Å; V322-F327 WeakPolarHBondContact O-CB 3.07Å; V322-F327 PolarHBondContact O-N 3.3Å; V322-T329 HydrophobicContact CG2-CG2 3.47Å; V322-T329 VanDerWaalsContact CG2-CG2 3.47Å; V322-L334 HydrophobicContact CG2-CD2 3.66Å; V322-L400 HydrophobicContact CB-CD1 4.37Å; V322-L400 HydrophobicContact CG1-CD1 4.38Å; V322-L404 HydrophobicContact CG1-CD2 4.04Å; V322-I407 HydrophobicContact CG1-CD1 3.41Å; V322-I407 VanDerWaalsContact CG1-CD1 3.41Å
323	L	85.8	Confident	82.2	Confident	75 Å²	75	50.5 Å²	50.5	39%	0.393	24%	0.244	S	C	.	.	H	α-helix	trans	-63.8	-40	171	-76.4	170.3	0	0	0	111.4	E319 E320 M325 K326 T329	E319-L323 HydrophobicContact CG-CD1 4.13Å; E319-L323 WeakPolarHBondContact O-CB 3.31Å; E319-L323 VanDerWaalsContact O-CG 3.25Å; E319-L323 WeakPolarHBondContact O-CG 3.35Å; E319-L323 PolarHBondContact O-N 3.2Å; E320-L323 PolarHBondContact O-N 2.86Å; L323-M325 PolarHBondContact O-N 3.42Å; L323-K326 WeakPolarHBondContact O-CA 3.36Å; L323-K326 PolarHBondContact O-N 3.15Å; L323-T329 HydrophobicContact CD2-CG2 4.04Å; L323-T329 HydrophobicContact CG-CG2 3.97Å
324	E	86.4	Confident	81.1	Confident	121 Å²	121	50.9 Å²	50.9	57%	0.565	25%	0.245	S	C	*	.	H	α-helix	trans	-56.9	-42.1	173.7	-169.6	-177.7	-179.8	0	0	110.9	E320 C321 V322 K326	E320-E324 PolarHBondContact O-N 3.45Å; C321-E324 WeakPolarHBondContact O-CB 3.44Å; C321-E324 PolarHBondContact O-N 3.37Å; V322-E324 VanDerWaalsContact C-N 3.34Å; E324-K326 WeakPolarHBondContact O-CE 3.29Å; E324-K326 PolarHBondContact O-N 2.61Å; E324-K326 VanDerWaalsContact O-N 3.16Å; E324-K326 PolarHBondContact O-NZ 3.14Å; E324-K326 VanDerWaalsContact O-NZ 3.16Å
325	M	86.6	Confident	79.9	Confident	23 Å²	23	48.9 Å²	48.9	11%	0.113	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	5.8	176.3	-57	179.6	90.3	0	0	114.3	C321 V322 L323 A399 L400	C321-M325 WeakPolarHBondContact O-CG 3.39Å; C321-M325 PolarHBondContact O-N 3.41Å; V322-M325 CarbonylContact O-C 3.58Å; V322-M325 PolarHBondContact O-N 3.22Å; L323-M325 PolarHBondContact O-N 3.42Å; M325-A399 HydrophobicContact CE-CB 3.95Å; M325-L400 HydrophobicContact CB-CD1 3.91Å; M325-L400 VanDerWaalsContact CE-CA 3.42Å; M325-L400 HydrophobicContact CE-CB 3.75Å; M325-L400 VanDerWaalsContact CE-N 3.26Å; M325-L400 HydrophobicContact SD-CB 4.31Å; M325-L400 HydrophobicContact SD-CD1 4.08Å
326	K	89.5	Confident	79.4	Confident	105 Å²	105	46.4 Å²	46.4	46%	0.457	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	20.6	177.1	-46.6	-55.6	175.5	-141.4	0	115.4	V322 L323 E324 H378 D379 F380	V322-K326 PolarHBondContact O-N 3.22Å; L323-K326 WeakPolarHBondContact O-CA 3.36Å; L323-K326 PolarHBondContact O-N 3.15Å; E324-K326 WeakPolarHBondContact O-CE 3.29Å; E324-K326 PolarHBondContact O-N 2.61Å; E324-K326 VanDerWaalsContact O-N 3.16Å; E324-K326 PolarHBondContact O-NZ 3.14Å; E324-K326 VanDerWaalsContact O-NZ 3.16Å; K326-H378 CarbonylContact O-C 3.38Å; K326-H378 WeakPolarHBondContact O-CA 2.95Å; K326-H378 WeakPolarHBondContact O-CB 3.32Å; K326-H378 PolarHBondContact O-CD2 2.92Å; K326-D379 PolarHBondContact O-N 3.15Å; K326-F380 HydrophobicContact CB-CE1 4.26Å
327	F	87.6	Confident	79.2	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.009	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-74.9	141.1	173.3	-176.1	-105.8	0	0	0	111.7	V322 T329 A332 L337 I376 P377 L400 L404	V322-F327 HydrophobicContact CB-CB 4.04Å; V322-F327 HydrophobicContact CB-CD1 4.24Å; V322-F327 HydrophobicContact CB-CG 4.48Å; V322-F327 HydrophobicContact CG2-CB 4.44Å; V322-F327 HydrophobicContact CG2-CD1 3.95Å; V322-F327 VanDerWaalsContact O-CB 3.3Å; V322-F327 WeakPolarHBondContact O-CB 3.07Å; V322-F327 PolarHBondContact O-N 3.3Å; F327-T329 HydrophobicContact CD1-CG2 3.91Å; F327-T329 HydrophobicContact CE1-CG2 4.43Å; F327-T329 PolarHBondContact O-N 3.09Å; F327-A332 HydrophobicContact CE1-CB 3.99Å; F327-A332 WeakPolarHBondContact CE1-O 3.3Å; F327-A332 HydrophobicContact CE2-CB 4.39Å; F327-A332 HydrophobicContact CZ-CB 3.51Å; F327-L337 HydrophobicContact CZ-CD2 4.45Å; F327-I376 HydrophobicContact CD2-CG2 3.98Å; F327-I376 HydrophobicContact CE2-CG2 3.99Å; F327-P377 WeakPolarHBondContact CD2-O 3.45Å; F327-L400 HydrophobicContact CB-CD1 3.98Å; F327-L400 HydrophobicContact CB-CD2 4.5Å; F327-L400 HydrophobicContact CG-CD1 4.47Å; F327-L404 HydrophobicContact CD1-CD2 3.85Å; F327-L404 HydrophobicContact CD2-CD1 3.86Å; F327-L404 HydrophobicContact CD2-CD2 4.24Å; F327-L404 HydrophobicContact CE1-CD2 3.63Å; F327-L404 HydrophobicContact CE2-CD1 3.69Å; F327-L404 HydrophobicContact CE2-CD2 4.05Å; F327-L404 HydrophobicContact CG-CD1 4.46Å; F327-L404 HydrophobicContact CG-CD2 4.14Å; F327-L404 HydrophobicContact CZ-CD1 4.16Å; F327-L404 HydrophobicContact CZ-CD2 3.72Å
328	D	81.3	Confident	79.1	Confident	5 Å²	5	38.6 Å²	38.6	3%	0.027	19%	0.187	C	C	.	.			trans	-90	87.7	-179.9	-172.4	-9.6	0	0	0	111.9	V224 G225 R330 K331 A332 P377 D379	V224-D328 HydrophobicContact CG1-CB 3.8Å; V224-D328 WeakPolarHBondContact CG1-OD2 3.34Å; G225-D328 PolarHBondContact N-OD2 2.88Å; D328-R330 PolarHBondContact O-N 3.14Å; D328-R330 WeakPolarHBondContact OD1-CB 2.85Å; D328-R330 PolarHBondContact OD1-N 3.03Å; D328-R330 VanDerWaalsContact OD1-N 3.15Å; D328-K331 PolarHBondContact O-N 2.9Å; D328-K331 PolarHBondContact OD1-N 3.4Å; D328-K331 VanDerWaalsContact OD2-CD 3.24Å; D328-K331 WeakPolarHBondContact OD2-CD 3.21Å; D328-K331 WeakPolarHBondContact OD2-CE 3.23Å; D328-K331 WeakPolarHBondContact OD2-CG 3.45Å; D328-K331 IonicContact OD2-NZ 2.66Å; D328-A332 PolarHBondContact O-N 3.12Å; D328-A332 VanDerWaalsContact O-N 3.08Å; D328-P377 HydrophobicContact CB-CB 4.15Å; D328-P377 PolarHBondContact N-O 2.93Å; D328-D379 HydrophobicContact CB-CB 4.49Å
329	T	78.1	Confident	79.1	Confident	6 Å²	6	41.2 Å²	41.2	4%	0.037	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-22.4	178.9	64.8	0	0	0	0	113.3	E319 V322 L323 F327 K331 A332 P333 L334	E319-T329 HydrophobicContact CG-CG2 3.69Å; E319-T329 WeakPolarHBondContact OE1-CB 3.39Å; E319-T329 PolarHBondContact OE1-OG1 3.42Å; V322-T329 HydrophobicContact CG2-CG2 3.47Å; V322-T329 VanDerWaalsContact CG2-CG2 3.47Å; L323-T329 HydrophobicContact CD2-CG2 4.04Å; L323-T329 HydrophobicContact CG-CG2 3.97Å; F327-T329 HydrophobicContact CD1-CG2 3.91Å; F327-T329 HydrophobicContact CE1-CG2 4.43Å; F327-T329 PolarHBondContact O-N 3.09Å; T329-K331 PolarHBondContact O-N 3.01Å; T329-A332 CarbonylContact O-C 3.49Å; T329-P333 VanDerWaalsContact O-CA 3.31Å; T329-P333 WeakPolarHBondContact O-CA 3.49Å; T329-L334 HydrophobicContact CG2-CD2 4.22Å
330	R	71.8	Confident	79.3	Confident	140 Å²	140	43.6 Å²	43.6	53%	0.528	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.6	179.6	-59.9	175.6	177.1	179.5	-7.7	112.4	E151 G225 D328	E151-R330 IonicContact OE1-NH2 2.66Å; E151-R330 PolarHBondContact OE1-NH2 2.81Å; G225-R330 PolarHBondContact O-NH1 3.04Å; D328-R330 PolarHBondContact O-N 3.14Å; D328-R330 WeakPolarHBondContact OD1-CB 2.85Å; D328-R330 PolarHBondContact OD1-N 3.03Å; D328-R330 VanDerWaalsContact OD1-N 3.15Å
331	K	68.3	Low	79.4	Confident	8 Å²	8	38.6 Å²	38.6	4%	0.035	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-37.4	-179.6	-68.3	-174.3	-170.5	173.3	0	113.6	M188 Y201 V224 M276 D328 T329 P333	M188-K331 HydrophobicContact CE-CB 4.36Å; Y201-K331 HydrophobicContact CD1-CD 4.23Å; Y201-K331 HydrophobicContact CD2-CD 4.3Å; Y201-K331 HydrophobicContact CG-CD 3.9Å; V224-K331 HydrophobicContact CG1-CD 4.49Å; M276-K331 WeakPolarHBondContact CE-O 3.4Å; D328-K331 PolarHBondContact O-N 2.9Å; D328-K331 PolarHBondContact OD1-N 3.4Å; D328-K331 VanDerWaalsContact OD2-CD 3.24Å; D328-K331 WeakPolarHBondContact OD2-CD 3.21Å; D328-K331 WeakPolarHBondContact OD2-CE 3.23Å; D328-K331 WeakPolarHBondContact OD2-CG 3.45Å; D328-K331 IonicContact OD2-NZ 2.66Å; T329-K331 PolarHBondContact O-N 3.01Å; K331-P333 VanDerWaalsContact C-CD 3.42Å; K331-P333 WeakPolarHBondContact O-CD 3.37Å
332	A	71.2	Confident	79.6	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-113.5	81.6	172.2	0	0	0	0	0	107.1	M276 F327 D328 T329 L337	M276-A332 HydrophobicContact CE-CB 3.72Å; M276-A332 HydrophobicContact SD-CB 4.38Å; F327-A332 HydrophobicContact CE1-CB 3.99Å; F327-A332 WeakPolarHBondContact CE1-O 3.3Å; F327-A332 HydrophobicContact CE2-CB 4.39Å; F327-A332 HydrophobicContact CZ-CB 3.51Å; D328-A332 PolarHBondContact O-N 3.12Å; D328-A332 VanDerWaalsContact O-N 3.08Å; T329-A332 CarbonylContact O-C 3.49Å; A332-L337 HydrophobicContact CB-CD1 4.42Å
333	P	69.4	Low	80	Confident	43 Å²	43	43.4 Å²	43.4	28%	0.279	21%	0.209	S	C	.	.			trans	-53	147.1	175.2	-23.9	33.7	0	0	0	110.4	T329 K331 G335 K336	T329-P333 VanDerWaalsContact O-CA 3.31Å; T329-P333 WeakPolarHBondContact O-CA 3.49Å; K331-P333 VanDerWaalsContact C-CD 3.42Å; K331-P333 WeakPolarHBondContact O-CD 3.37Å; P333-G335 PolarHBondContact O-N 3.07Å; P333-K336 HydrophobicContact CB-CG 4.21Å; P333-K336 PolarHBondContact O-N 3.21Å; P333-K336 VanDerWaalsContact O-N 3.16Å
334	L	65.4	Low	80.2	Confident	28 Å²	28	40.4 Å²	40.4	15%	0.147	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	139.8	178.4	-64.4	-174.4	0	0	0	111.3	M318 E319 V322 T329 K336 I407 V411	M318-L334 HydrophobicContact CB-CD1 4.12Å; E319-L334 HydrophobicContact CB-CD1 3.68Å; E319-L334 HydrophobicContact CB-CG 4.45Å; E319-L334 HydrophobicContact CG-CD1 4.12Å; E319-L334 HydrophobicContact CG-CG 4.38Å; V322-L334 HydrophobicContact CG2-CD2 3.66Å; T329-L334 HydrophobicContact CG2-CD2 4.22Å; L334-K336 PolarHBondContact O-N 3.27Å; L334-K336 VanDerWaalsContact O-N 3.16Å; L334-I407 HydrophobicContact CB-CG2 3.9Å; L334-I407 HydrophobicContact CD1-CG2 4.01Å; L334-I407 HydrophobicContact CD2-CD1 4.45Å; L334-I407 HydrophobicContact CD2-CG2 4Å; L334-I407 HydrophobicContact CG-CG2 4.2Å; L334-V411 HydrophobicContact CB-CG2 4.48Å
335	G	61.8	Low	80.6	Confident	14 Å²	14	34.7 Å²	34.7	14%	0.144	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	-7.5	178.8	0	0	0	0	0	116.1	P333	P333-G335 PolarHBondContact O-N 3.07Å
336	K	72.9	Confident	81	Confident	21 Å²	21	34.1 Å²	34.1	9%	0.091	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-13.6	177.6	-56.1	-60.2	176.2	-164	0	113.2	M276 D277 Y278 N281 P333 L334 T338 E415	M276-K336 CarbonylContact C-O 3.56Å; M276-K336 VanDerWaalsContact CA-O 3.24Å; M276-K336 WeakPolarHBondContact CA-O 3.43Å; D277-K336 PolarHBondContact N-O 2.93Å; D277-K336 WeakPolarHBondContact O-CD 3.37Å; Y278-K336 HydrophobicContact CD1-CD 4.05Å; Y278-K336 HydrophobicContact CD1-CG 4.29Å; Y278-K336 HydrophobicContact CE1-CB 4.41Å; Y278-K336 HydrophobicContact CE1-CD 4.49Å; Y278-K336 HydrophobicContact CE1-CG 4.23Å; N281-K336 PolarHBondContact ND2-NZ 3.27Å; N281-K336 PolarHBondContact OD1-NZ 3.29Å; P333-K336 HydrophobicContact CB-CG 4.21Å; P333-K336 PolarHBondContact O-N 3.21Å; P333-K336 VanDerWaalsContact O-N 3.16Å; L334-K336 PolarHBondContact O-N 3.27Å; L334-K336 VanDerWaalsContact O-N 3.16Å; K336-T338 PolarHBondContact O-N 3.19Å; K336-E415 IonicContact NZ-OE1 2.96Å
337	L	78	Confident	81.2	Confident	7 Å²	7	32.6 Å²	32.6	4%	0.037	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-66.3	125.8	170.9	-159.2	71.7	0	0	0	109.4	V274 F327 A332 Q341 I342 I376 L404 Q408	V274-L337 HydrophobicContact CG1-CD1 4.26Å; F327-L337 HydrophobicContact CZ-CD2 4.45Å; A332-L337 HydrophobicContact CB-CD1 4.42Å; L337-Q341 HydrophobicContact CD1-CB 4Å; L337-Q341 HydrophobicContact CD1-CG 3.5Å; L337-Q341 HydrophobicContact CG-CB 4.01Å; L337-Q341 HydrophobicContact CG-CG 3.99Å; L337-I342 HydrophobicContact CD2-CD1 4.36Å; L337-I342 HydrophobicContact CD2-CG1 3.65Å; L337-I342 HydrophobicContact CG-CG1 4.23Å; L337-I376 HydrophobicContact CD2-CD1 4.43Å; L337-L404 HydrophobicContact CD2-CD1 4.09Å; L337-Q408 PolarHBondContact O-NE2 2.92Å
338	T	83.2	Confident	81.5	Confident	15 Å²	15	32.5 Å²	32.5	9%	0.092	16%	0.159	C	C	.	.			trans	-72	156.1	179.6	54.8	0	0	0	0	112.4	F275 D277 K336 E340 Q341 I342	F275-T338 HydrophobicContact CB-CG2 3.98Å; F275-T338 WeakPolarHBondContact CB-OG1 3.36Å; F275-T338 WeakPolarHBondContact O-CG2 3.47Å; F275-T338 PolarHBondContact O-N 3.49Å; F275-T338 PolarHBondContact O-OG1 3.23Å; F275-T338 VanDerWaalsContact O-OG1 3.08Å; D277-T338 HydrophobicContact CB-CG2 3.84Å; K336-T338 PolarHBondContact O-N 3.19Å; T338-E340 WeakPolarHBondContact CB-OE2 3.32Å; T338-E340 PolarHBondContact O-N 2.96Å; T338-Q341 PolarHBondContact O-N 3.18Å; T338-Q341 VanDerWaalsContact O-N 3.13Å; T338-Q341 VanDerWaalsContact OG1-CB 3.28Å; T338-Q341 WeakPolarHBondContact OG1-CB 3.23Å; T338-Q341 PolarHBondContact OG1-N 3.43Å; T338-Q341 VanDerWaalsContact OG1-N 3.14Å; T338-I342 PolarHBondContact O-N 3.27Å; T338-I342 VanDerWaalsContact O-N 3.11Å
339	S	84.6	Confident	82.2	Confident	61 Å²	61	32.2 Å²	32.2	43%	0.427	16%	0.158	S	C	.	.	H	α-helix	trans	-62.9	-32.6	173.8	-54.5	0	0	0	0	111.1	I342 R343 Q408	S339-I342 PolarHBondContact O-N 2.88Å; S339-R343 WeakPolarHBondContact O-CB 3.34Å; S339-R343 PolarHBondContact O-N 2.93Å; S339-Q408 PolarHBondContact OG-OE1 3.16Å
340	E	86.9	Confident	82.9	Confident	114 Å²	114	36.4 Å²	36.4	53%	0.533	18%	0.175	S	C	.	.	H	α-helix	trans	-61.4	-42.2	172.5	-67.5	73.6	-163.1	0	0	111.9	T338 R343 A344	T338-E340 WeakPolarHBondContact CB-OE2 3.32Å; T338-E340 PolarHBondContact O-N 2.96Å; E340-R343 PolarHBondContact O-N 3.42Å; E340-A344 VanDerWaalsContact O-CB 3.23Å; E340-A344 WeakPolarHBondContact O-CB 3.43Å; E340-A344 PolarHBondContact O-N 2.66Å
341	Q	88.4	Confident	84	Confident	3 Å²	3	34.5 Å²	34.5	1%	0.014	17%	0.168	C	C	.	.	H	α-helix	trans	-67.9	-39.1	177.5	-167.4	69.9	44.1	0	0	111.9	V274 F275 L337 T338 A344 G345 R375	V274-Q341 HydrophobicContact CG1-CG 4.46Å; F275-Q341 HydrophobicContact CB-CB 4.44Å; F275-Q341 VanDerWaalsContact CD2-OE1 3.28Å; L337-Q341 HydrophobicContact CD1-CB 4Å; L337-Q341 HydrophobicContact CD1-CG 3.5Å; L337-Q341 HydrophobicContact CG-CB 4.01Å; L337-Q341 HydrophobicContact CG-CG 3.99Å; T338-Q341 PolarHBondContact O-N 3.18Å; T338-Q341 VanDerWaalsContact O-N 3.13Å; T338-Q341 VanDerWaalsContact OG1-CB 3.28Å; T338-Q341 WeakPolarHBondContact OG1-CB 3.23Å; T338-Q341 PolarHBondContact OG1-N 3.43Å; T338-Q341 VanDerWaalsContact OG1-N 3.14Å; Q341-A344 WeakPolarHBondContact O-CB 3.35Å; Q341-A344 PolarHBondContact O-N 2.72Å; Q341-G345 PolarHBondContact O-N 3.39Å; Q341-R375 PolarHBondContact NE2-O 3.43Å
342	I	90.8	Very high	85.2	Confident	7 Å²	7	34.1 Å²	34.1	4%	0.036	17%	0.167	C	C	.	.	H	α-helix	trans	-64.2	-46.6	174.9	-65.4	172.6	0	0	0	110.3	L337 T338 S339 A344 G345 Y346 L401 L404	L337-I342 HydrophobicContact CD2-CD1 4.36Å; L337-I342 HydrophobicContact CD2-CG1 3.65Å; L337-I342 HydrophobicContact CG-CG1 4.23Å; T338-I342 PolarHBondContact O-N 3.27Å; T338-I342 VanDerWaalsContact O-N 3.11Å; S339-I342 PolarHBondContact O-N 2.88Å; I342-A344 VanDerWaalsContact C-N 3.32Å; I342-A344 PolarHBondContact O-N 2.81Å; I342-G345 WeakPolarHBondContact O-CA 3.19Å; I342-G345 PolarHBondContact O-N 2.64Å; I342-Y346 HydrophobicContact CG2-CD2 4.01Å; I342-Y346 HydrophobicContact CG2-CE2 3.7Å; I342-Y346 WeakPolarHBondContact O-CD2 3.43Å; I342-Y346 PolarHBondContact O-N 3.15Å; I342-L401 HydrophobicContact CG2-CB 4.41Å; I342-L404 HydrophobicContact CD1-CB 4.39Å
343	R	91.8	Very high	86.3	Confident	113 Å²	113	34.6 Å²	34.6	43%	0.426	17%	0.169	S	C	.	.	H	α-helix	trans	-56.3	-45.9	173.9	-175.2	178.4	77.7	73.3	9.6	111.6	S339 E340 G345 Y346 E347 E516	S339-R343 WeakPolarHBondContact O-CB 3.34Å; S339-R343 PolarHBondContact O-N 2.93Å; E340-R343 PolarHBondContact O-N 3.42Å; R343-G345 VanDerWaalsContact C-N 3.25Å; R343-G345 PolarHBondContact O-N 3.21Å; R343-Y346 PolarHBondContact O-N 3.24Å; R343-Y346 VanDerWaalsContact O-N 3.16Å; R343-E347 IonicContact CZ-OE1 3.21Å; R343-E347 IonicContact NH1-OE1 2.65Å; R343-E347 PolarHBondContact NH1-OE1 2.81Å; R343-E347 IonicContact NH2-OE1 2.84Å; R343-E347 WeakPolarHBondContact O-CG 3.43Å; R343-E347 PolarHBondContact O-N 3.4Å; R343-E516 HydrophobicContact CG-CB 4.43Å; R343-E516 HydrophobicContact CG-CG 3.85Å; R343-E516 WeakPolarHBondContact CG-OE1 3.41Å
344	A	90.8	Very high	87.3	Confident	13 Å²	13	35.2 Å²	35.2	11%	0.107	17%	0.174	C	C	.	.	H	α-helix	trans	-61.9	-32.6	175.2	0	0	0	0	0	112.4	E340 Q341 I342 A348 R375	E340-A344 VanDerWaalsContact O-CB 3.23Å; E340-A344 WeakPolarHBondContact O-CB 3.43Å; E340-A344 PolarHBondContact O-N 2.66Å; Q341-A344 WeakPolarHBondContact O-CB 3.35Å; Q341-A344 PolarHBondContact O-N 2.72Å; I342-A344 VanDerWaalsContact C-N 3.32Å; I342-A344 PolarHBondContact O-N 2.81Å; A344-A348 PolarHBondContact O-N 2.86Å; A344-R375 VanDerWaalsContact CA-NH1 3.33Å; A344-R375 VanDerWaalsContact CB-NH1 3.32Å; A344-R375 VanDerWaalsContact O-CD 3.23Å; A344-R375 WeakPolarHBondContact O-CD 3.49Å; A344-R375 PolarHBondContact O-NH1 3.16Å
345	G	94.1	Very high	88.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.8	-48.1	170.3	0	0	0	0	0	112.5	Q341 I342 R343 E347 A348 L349	Q341-G345 PolarHBondContact O-N 3.39Å; I342-G345 WeakPolarHBondContact O-CA 3.19Å; I342-G345 PolarHBondContact O-N 2.64Å; R343-G345 VanDerWaalsContact C-N 3.25Å; R343-G345 PolarHBondContact O-N 3.21Å; G345-E347 PolarHBondContact O-N 3Å; G345-A348 WeakPolarHBondContact O-CB 3.15Å; G345-A348 PolarHBondContact O-N 3.19Å; G345-A348 VanDerWaalsContact O-N 3.16Å; G345-L349 PolarHBondContact O-N 2.66Å
346	Y	95	Very high	89.9	Confident	11 Å²	11	35.7 Å²	35.7	4%	0.043	18%	0.175	C	C	.	.	H	α-helix	trans	-60.9	-43	176.9	-80.5	-60.2	0	0	0	112.5	I342 R343 A348 L349 K350 I398 L401 E402 P514 E516 A517	I342-Y346 HydrophobicContact CG2-CD2 4.01Å; I342-Y346 HydrophobicContact CG2-CE2 3.7Å; I342-Y346 WeakPolarHBondContact O-CD2 3.43Å; I342-Y346 PolarHBondContact O-N 3.15Å; R343-Y346 PolarHBondContact O-N 3.24Å; R343-Y346 VanDerWaalsContact O-N 3.16Å; Y346-A348 VanDerWaalsContact C-N 3.27Å; Y346-A348 PolarHBondContact O-N 3.2Å; Y346-L349 PolarHBondContact O-N 2.8Å; Y346-L349 VanDerWaalsContact O-N 3.13Å; Y346-K350 WeakPolarHBondContact O-CB 3.23Å; Y346-K350 PolarHBondContact O-N 3.24Å; Y346-I398 HydrophobicContact CE1-CG2 4.32Å; Y346-L401 HydrophobicContact CD1-CB 4.38Å; Y346-L401 HydrophobicContact CD1-CD1 3.57Å; Y346-L401 HydrophobicContact CD2-CD1 4.12Å; Y346-L401 HydrophobicContact CE1-CB 3.76Å; Y346-L401 HydrophobicContact CE1-CD1 3.81Å; Y346-L401 HydrophobicContact CE1-CG 4.44Å; Y346-L401 HydrophobicContact CE2-CB 3.94Å; Y346-L401 HydrophobicContact CE2-CD1 4.33Å; Y346-L401 HydrophobicContact CG-CD1 3.73Å; Y346-E402 VanDerWaalsContact OH-CG 3.23Å; Y346-E402 WeakPolarHBondContact OH-CG 3.23Å; Y346-E402 PolarHBondContact OH-N 2.88Å; Y346-P514 HydrophobicContact CD2-CG 4.16Å; Y346-P514 HydrophobicContact CE2-CG 3.99Å; Y346-E516 CarbonylContact C-O 3.54Å; Y346-E516 HydrophobicContact CD2-CG 4.21Å; Y346-E516 HydrophobicContact CG-CG 4.2Å; Y346-A517 HydrophobicContact CD1-CB 3.61Å; Y346-A517 HydrophobicContact CE1-CB 3.86Å; Y346-A517 HydrophobicContact CG-CB 4.2Å
347	E	94	Very high	90.6	Very high	73 Å²	73	39.7 Å²	39.7	34%	0.341	19%	0.192	S	C	.	.	H	α-helix	trans	-56.6	-41.1	174.3	-71.6	175	169.2	0	0	112.2	R343 G345 K350 R351 R375 E516	R343-E347 IonicContact CZ-OE1 3.21Å; R343-E347 IonicContact NH1-OE1 2.65Å; R343-E347 PolarHBondContact NH1-OE1 2.81Å; R343-E347 IonicContact NH2-OE1 2.84Å; R343-E347 WeakPolarHBondContact O-CG 3.43Å; R343-E347 PolarHBondContact O-N 3.4Å; G345-E347 PolarHBondContact O-N 3Å; E347-K350 PolarHBondContact O-N 3.14Å; E347-R351 PolarHBondContact O-N 2.92Å; E347-R351 VanDerWaalsContact O-N 3.1Å; E347-R375 IonicContact OE2-NH1 2.77Å; E347-R375 PolarHBondContact OE2-NH1 3.06Å; E347-R375 VanDerWaalsContact OE2-NH1 3.13Å; E347-E516 HydrophobicContact CG-CB 4.26Å
348	A	94	Very high	90.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67.4	-40.4	177.1	0	0	0	0	0	111.7	A344 G345 Y346 K350 R351 I352 Q371 F372	A344-A348 PolarHBondContact O-N 2.86Å; G345-A348 WeakPolarHBondContact O-CB 3.15Å; G345-A348 PolarHBondContact O-N 3.19Å; G345-A348 VanDerWaalsContact O-N 3.16Å; Y346-A348 VanDerWaalsContact C-N 3.27Å; Y346-A348 PolarHBondContact O-N 3.2Å; A348-K350 VanDerWaalsContact C-N 3.34Å; A348-K350 PolarHBondContact O-N 2.94Å; A348-R351 WeakPolarHBondContact O-CB 3.31Å; A348-R351 PolarHBondContact O-N 2.83Å; A348-I352 WeakPolarHBondContact O-CG1 3.43Å; A348-I352 PolarHBondContact O-N 3.19Å; A348-Q371 HydrophobicContact CB-CG 4.25Å; A348-F372 HydrophobicContact CB-CB 3.93Å; A348-F372 HydrophobicContact CB-CD2 4.37Å
349	L	95.5	Very high	90.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.8	-37.8	173.2	-67.7	-172.4	0	0	0	112.3	G345 Y346 R351 I352 E353 F372 I388 L394 K397 I398 L401 P518	G345-L349 PolarHBondContact O-N 2.66Å; Y346-L349 PolarHBondContact O-N 2.8Å; Y346-L349 VanDerWaalsContact O-N 3.13Å; L349-R351 VanDerWaalsContact C-N 3.27Å; L349-R351 PolarHBondContact O-N 2.8Å; L349-I352 HydrophobicContact CD2-CD1 3.9Å; L349-I352 WeakPolarHBondContact O-CB 3.49Å; L349-I352 PolarHBondContact O-N 3.3Å; L349-I352 VanDerWaalsContact O-N 3.12Å; L349-E353 PolarHBondContact O-N 2.75Å; L349-F372 HydrophobicContact CD1-CE2 4.01Å; L349-F372 HydrophobicContact CD2-CD1 4.17Å; L349-F372 HydrophobicContact CD2-CD2 3.37Å; L349-F372 HydrophobicContact CD2-CE1 4.22Å; L349-F372 HydrophobicContact CD2-CE2 3.43Å; L349-F372 VanDerWaalsContact CD2-CE2 3.43Å; L349-F372 HydrophobicContact CD2-CG 3.77Å; L349-F372 HydrophobicContact CD2-CZ 3.87Å; L349-F372 HydrophobicContact CG-CD2 3.7Å; L349-F372 HydrophobicContact CG-CE2 3.64Å; L349-F372 HydrophobicContact CG-CZ 4.44Å; L349-I388 HydrophobicContact CD2-CD1 4.42Å; L349-L394 HydrophobicContact CB-CD1 3.92Å; L349-L394 HydrophobicContact CD1-CD1 4.46Å; L349-L394 HydrophobicContact CD2-CD1 3.87Å; L349-L394 HydrophobicContact CG-CD1 4.3Å; L349-K397 HydrophobicContact CD1-CB 3.87Å; L349-K397 HydrophobicContact CD2-CB 3.78Å; L349-K397 HydrophobicContact CG-CB 4.5Å; L349-I398 HydrophobicContact CD1-CG1 3.86Å; L349-L401 HydrophobicContact CD1-CD1 3.63Å; L349-L401 HydrophobicContact CD1-CG 4.4Å; L349-L401 HydrophobicContact CG-CD1 4.29Å; L349-P518 HydrophobicContact CB-CG 3.54Å
350	K	93.9	Very high	89.2	Confident	93 Å²	93	54.7 Å²	54.7	40%	0.404	25%	0.254	S	S	.	.	H	α-helix	trans	-65.6	-32.4	176.7	-172.9	173	-176.1	172.3	0	112	Y346 E347 A348 S354 P515 E516	Y346-K350 WeakPolarHBondContact O-CB 3.23Å; Y346-K350 PolarHBondContact O-N 3.24Å; E347-K350 PolarHBondContact O-N 3.14Å; A348-K350 VanDerWaalsContact C-N 3.34Å; A348-K350 PolarHBondContact O-N 2.94Å; K350-S354 PolarHBondContact O-N 3.3Å; K350-S354 VanDerWaalsContact O-N 3.09Å; K350-S354 PolarHBondContact O-OG 3.02Å; K350-P515 PolarHBondContact NZ-O 2.95Å; K350-E516 WeakPolarHBondContact CD-O 3.2Å
351	R	93.4	Very high	88.8	Confident	101 Å²	101	52.1 Å²	52.1	38%	0.381	25%	0.249	S	C	.	.	H	α-helix	trans	-67.4	-42.6	170.6	-167.7	175.9	179.4	-155.3	-7.6	111.5	E347 A348 L349 S354 C355 D367 A368	E347-R351 PolarHBondContact O-N 2.92Å; E347-R351 VanDerWaalsContact O-N 3.1Å; A348-R351 WeakPolarHBondContact O-CB 3.31Å; A348-R351 PolarHBondContact O-N 2.83Å; L349-R351 VanDerWaalsContact C-N 3.27Å; L349-R351 PolarHBondContact O-N 2.8Å; R351-S354 WeakPolarHBondContact O-CB 3.38Å; R351-S354 PolarHBondContact O-N 3.05Å; R351-C355 PolarHBondContact O-N 3.4Å; R351-C355 VanDerWaalsContact O-N 3.1Å; R351-C355 PolarHBondContact O-SG 3.48Å; R351-C355 VanDerWaalsContact O-SG 3.39Å; R351-D367 IonicContact CZ-OD2 3.63Å; R351-D367 VanDerWaalsContact CZ-OD2 3.24Å; R351-D367 IonicContact NH1-OD2 2.65Å; R351-D367 PolarHBondContact NH1-OD2 3.01Å; R351-D367 IonicContact NH2-OD2 3.56Å; R351-D367 PolarHBondContact NH2-OD2 2.99Å; R351-A368 HydrophobicContact CB-CB 4.28Å; R351-A368 HydrophobicContact CG-CB 3.94Å
352	I	94.5	Very high	88.6	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.3	-49.8	173.9	-69.1	160.6	0	0	0	110.4	A348 L349 S354 C355 L356 L365 A368 F372 I388 L394	A348-I352 WeakPolarHBondContact O-CG1 3.43Å; A348-I352 PolarHBondContact O-N 3.19Å; L349-I352 HydrophobicContact CD2-CD1 3.9Å; L349-I352 WeakPolarHBondContact O-CB 3.49Å; L349-I352 PolarHBondContact O-N 3.3Å; L349-I352 VanDerWaalsContact O-N 3.12Å; I352-S354 VanDerWaalsContact C-N 3.28Å; I352-S354 PolarHBondContact O-N 3.29Å; I352-C355 WeakPolarHBondContact O-CA 3.46Å; I352-C355 WeakPolarHBondContact O-CB 3.36Å; I352-C355 PolarHBondContact O-N 3.16Å; I352-L356 HydrophobicContact CG2-CD1 4.21Å; I352-L356 HydrophobicContact CG2-CG 4.29Å; I352-L356 WeakPolarHBondContact O-CG 3.4Å; I352-L356 PolarHBondContact O-N 3.31Å; I352-L365 HydrophobicContact CG2-CD1 3.96Å; I352-A368 HydrophobicContact CG1-CB 3.63Å; I352-F372 HydrophobicContact CD1-CB 3.85Å; I352-F372 HydrophobicContact CD1-CG 4.33Å; I352-I388 HydrophobicContact CD1-CD1 3.74Å; I352-I388 HydrophobicContact CG2-CB 4.14Å; I352-I388 HydrophobicContact CG2-CG2 3.85Å; I352-L394 HydrophobicContact CG2-CD1 4.31Å
353	E	93.3	Very high	88.5	Confident	9 Å²	9	65.1 Å²	65.1	4%	0.042	31%	0.311	C	S	.	.	H	α-helix	trans	-51.6	-47	175.6	-176.9	-168.7	-161.2	0	0	112	L349 C355 L356 K357 L394 P518 V519 T520	L349-E353 PolarHBondContact O-N 2.75Å; E353-C355 VanDerWaalsContact C-N 3.28Å; E353-C355 PolarHBondContact O-N 3.04Å; E353-L356 PolarHBondContact O-N 3.43Å; E353-K357 HydrophobicContact CG-CD 4.16Å; E353-K357 PolarHBondContact O-N 3.47Å; E353-K357 IonicContact OE1-NZ 3.33Å; E353-K357 PolarHBondContact OE1-NZ 3.5Å; E353-L394 HydrophobicContact CB-CD2 3.8Å; E353-L394 HydrophobicContact CG-CD2 4.19Å; E353-P518 HydrophobicContact CB-CB 4.12Å; E353-P518 HydrophobicContact CG-CB 4.29Å; E353-P518 VanDerWaalsContact OE2-CA 3.27Å; E353-P518 WeakPolarHBondContact OE2-CA 3.39Å; E353-P518 WeakPolarHBondContact OE2-CB 3.25Å; E353-V519 WeakPolarHBondContact OE1-CG1 3.27Å; E353-V519 PolarHBondContact OE1-N 2.84Å; E353-V519 PolarHBondContact OE2-N 3.48Å; E353-T520 WeakPolarHBondContact CG-OG1 3.36Å; E353-T520 WeakPolarHBondContact OE1-CB 3.24Å; E353-T520 PolarHBondContact OE1-N 2.86Å; E353-T520 PolarHBondContact OE1-OG1 3.29Å
354	S	91.8	Very high	88.4	Confident	56 Å²	56	64.5 Å²	64.5	39%	0.392	31%	0.313	S	S	.	.	H	α-helix	trans	-61.5	-37.3	178.6	-62.1	0	0	0	0	112.2	K350 R351 I352 K358	K350-S354 PolarHBondContact O-N 3.3Å; K350-S354 VanDerWaalsContact O-N 3.09Å; K350-S354 PolarHBondContact O-OG 3.02Å; R351-S354 WeakPolarHBondContact O-CB 3.38Å; R351-S354 PolarHBondContact O-N 3.05Å; I352-S354 VanDerWaalsContact C-N 3.28Å; I352-S354 PolarHBondContact O-N 3.29Å; S354-K358 WeakPolarHBondContact O-CB 3.45Å; S354-K358 WeakPolarHBondContact O-CG 3.48Å; S354-K358 PolarHBondContact O-N 2.92Å
355	C	91.9	Very high	88.4	Confident	14 Å²	14	64.5 Å²	64.5	10%	0.095	31%	0.311	C	S	.	.	H	α-helix	trans	-68.3	-41.3	174.6	-67.8	0	0	0	0	112	R351 I352 E353 G360 L365	R351-C355 PolarHBondContact O-N 3.4Å; R351-C355 VanDerWaalsContact O-N 3.1Å; R351-C355 PolarHBondContact O-SG 3.48Å; R351-C355 VanDerWaalsContact O-SG 3.39Å; I352-C355 WeakPolarHBondContact O-CA 3.46Å; I352-C355 WeakPolarHBondContact O-CB 3.36Å; I352-C355 PolarHBondContact O-N 3.16Å; E353-C355 VanDerWaalsContact C-N 3.28Å; E353-C355 PolarHBondContact O-N 3.04Å; C355-G360 PolarHBondContact O-N 3.42Å; C355-L365 HydrophobicContact CB-CB 4.16Å; C355-L365 HydrophobicContact CB-CD1 3.87Å
356	L	90.1	Very high	88.3	Confident	39 Å²	39	65.5 Å²	65.5	20%	0.204	32%	0.316	C	S	.	.	H	α-helix	trans	-63.3	-46.7	177.7	-63.7	-177.7	0	0	0	111.5	I352 E353 K358 K359 L365 R389 L394	I352-L356 HydrophobicContact CG2-CD1 4.21Å; I352-L356 HydrophobicContact CG2-CG 4.29Å; I352-L356 WeakPolarHBondContact O-CG 3.4Å; I352-L356 PolarHBondContact O-N 3.31Å; E353-L356 PolarHBondContact O-N 3.43Å; L356-K358 PolarHBondContact O-N 2.79Å; L356-K359 PolarHBondContact O-N 3Å; L356-L365 HydrophobicContact CD2-CD1 4.04Å; L356-L365 HydrophobicContact CD2-CD2 4.12Å; L356-R389 WeakPolarHBondContact CD2-O 3.37Å; L356-L394 HydrophobicContact CD1-CD2 4.31Å
357	K	86.1	Confident	88.1	Confident	105 Å²	105	68.6 Å²	68.6	46%	0.457	33%	0.333	S	S	.	.	H	α-helix	trans	-63.8	-39.5	-179.5	-75	177.3	172.9	171.3	0	113.4	E353 K359 V519 T520	E353-K357 HydrophobicContact CG-CD 4.16Å; E353-K357 PolarHBondContact O-N 3.47Å; E353-K357 IonicContact OE1-NZ 3.33Å; E353-K357 PolarHBondContact OE1-NZ 3.5Å; K357-K359 VanDerWaalsContact C-N 3.31Å; K357-K359 PolarHBondContact O-N 2.92Å; K357-V519 VanDerWaalsContact NZ-CG1 3.28Å; K357-T520 WeakPolarHBondContact CE-OG1 3.46Å
358	K	82.9	Confident	88.1	Confident	174 Å²	174	65.1 Å²	65.1	76%	0.757	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	3.2	-175.1	-69.2	-178.5	179.1	-180	0	114.3	S354 L356 G360	S354-K358 WeakPolarHBondContact O-CB 3.45Å; S354-K358 WeakPolarHBondContact O-CG 3.48Å; S354-K358 PolarHBondContact O-N 2.92Å; L356-K358 PolarHBondContact O-N 2.79Å; K358-G360 PolarHBondContact O-N 2.88Å
359	K	69.4	Low	88.1	Confident	200 Å²	200	65.1 Å²	65.1	87%	0.87	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.6	46.9	-161.2	-65.3	-173.8	178.8	-178.7	0	110.2	L356 K357	L356-K359 PolarHBondContact O-N 3Å; K357-K359 VanDerWaalsContact C-N 3.31Å; K357-K359 PolarHBondContact O-N 2.92Å
360	G	64.4	Low	88	Confident	23 Å²	23	66 Å²	66	24%	0.237	32%	0.322	C	S	.	.			trans	-57.5	163.4	-175.2	0	0	0	0	0	111.9	C355 K358 N362	C355-G360 PolarHBondContact O-N 3.42Å; K358-G360 PolarHBondContact O-N 2.88Å; G360-N362 PolarHBondContact O-N 2.99Å
361	S	77.6	Confident	87.9	Confident	60 Å²	60	64 Å²	64	42%	0.42	31%	0.314	S	S	.	.			trans	-60.8	142.5	179.9	75.5	0	0	0	0	110.3	K363 E364 L365	S361-K363 PolarHBondContact O-N 3.37Å; S361-E364 PolarHBondContact N-OE2 3.37Å; S361-E364 PolarHBondContact O-N 3.01Å; S361-E364 WeakPolarHBondContact OG-CG 3.42Å; S361-E364 PolarHBondContact OG-N 3.02Å; S361-L365 PolarHBondContact O-N 3.24Å
362	N	84.7	Confident	88	Confident	123 Å²	123	59.2 Å²	59.2	66%	0.658	30%	0.296	S	S	*	.	H	α-helix	trans	-52.7	-25.1	175.8	-86.5	-28	0	0	0	112.7	G360 L366	G360-N362 PolarHBondContact O-N 2.99Å; N362-L366 WeakPolarHBondContact O-CB 3.37Å; N362-L366 PolarHBondContact O-N 2.89Å; N362-L366 VanDerWaalsContact O-N 3.15Å
363	K	88.4	Confident	88	Confident	161 Å²	161	59.3 Å²	59.3	70%	0.7	30%	0.297	S	S	*	.	H	α-helix	trans	-71.2	-42.1	176.2	-174.7	-179.4	176.8	-177.5	0	112.8	S361 L366 D367	S361-K363 PolarHBondContact O-N 3.37Å; K363-L366 PolarHBondContact O-N 2.99Å; K363-D367 PolarHBondContact O-N 3.18Å
364	E	89.9	Confident	87.9	Confident	100 Å²	100	59.3 Å²	59.3	47%	0.467	30%	0.297	S	S	.	.	H	α-helix	trans	-68.2	-43.5	178.6	-72.7	169.9	164.5	0	0	111.3	S361 L366 D367 A368	S361-E364 PolarHBondContact N-OE2 3.37Å; S361-E364 PolarHBondContact O-N 3.01Å; S361-E364 WeakPolarHBondContact OG-CG 3.42Å; S361-E364 PolarHBondContact OG-N 3.02Å; E364-L366 VanDerWaalsContact C-N 3.29Å; E364-L366 PolarHBondContact O-N 2.83Å; E364-D367 PolarHBondContact O-N 2.66Å; E364-A368 WeakPolarHBondContact O-CB 3.43Å; E364-A368 PolarHBondContact O-N 3.36Å
365	L	92.3	Very high	87.8	Confident	13 Å²	13	59 Å²	59	7%	0.068	29%	0.287	C	S	.	.	H	α-helix	trans	-60.4	-42.4	176	-178.8	60.1	0	0	0	111.4	I352 C355 L356 S361 A368 C369 M387 I388 R389	I352-L365 HydrophobicContact CG2-CD1 3.96Å; C355-L365 HydrophobicContact CB-CB 4.16Å; C355-L365 HydrophobicContact CB-CD1 3.87Å; L356-L365 HydrophobicContact CD2-CD1 4.04Å; L356-L365 HydrophobicContact CD2-CD2 4.12Å; S361-L365 PolarHBondContact O-N 3.24Å; L365-A368 PolarHBondContact O-N 2.99Å; L365-C369 WeakPolarHBondContact O-CB 3.44Å; L365-C369 PolarHBondContact O-N 3.36Å; L365-C369 PolarHBondContact O-SG 3.42Å; L365-M387 HydrophobicContact CD2-CG 4.07Å; L365-M387 HydrophobicContact CD2-SD 3.75Å; L365-M387 HydrophobicContact CG-CG 4.16Å; L365-M387 HydrophobicContact CG-SD 4.16Å; L365-I388 WeakPolarHBondContact CD1-O 3.17Å; L365-R389 HydrophobicContact CD2-CG 4.47Å
366	L	91.9	Very high	87.8	Confident	21 Å²	21	58.3 Å²	58.3	11%	0.11	28%	0.283	C	S	.	.	H	α-helix	trans	-63.2	-42.3	177	-178	69.9	0	0	0	112.6	L194 Q195 N362 K363 E364 C369 N370 M387	L194-L366 HydrophobicContact CB-CD1 3.49Å; L194-L366 VanDerWaalsContact CB-CD1 3.49Å; L194-L366 HydrophobicContact CD2-CD1 3.94Å; L194-L366 HydrophobicContact CG-CD1 4.32Å; Q195-L366 HydrophobicContact CG-CD1 4.49Å; Q195-L366 HydrophobicContact CG-CD2 3.39Å; Q195-L366 HydrophobicContact CG-CG 4.27Å; N362-L366 WeakPolarHBondContact O-CB 3.37Å; N362-L366 PolarHBondContact O-N 2.89Å; N362-L366 VanDerWaalsContact O-N 3.15Å; K363-L366 PolarHBondContact O-N 2.99Å; E364-L366 VanDerWaalsContact C-N 3.29Å; E364-L366 PolarHBondContact O-N 2.83Å; L366-C369 PolarHBondContact O-N 3.31Å; L366-N370 WeakPolarHBondContact O-CB 3.4Å; L366-N370 PolarHBondContact O-N 2.88Å; L366-N370 PolarHBondContact O-ND2 2.99Å; L366-M387 HydrophobicContact CB-CE 4.02Å; L366-M387 HydrophobicContact CD1-CE 3.68Å; L366-M387 HydrophobicContact CG-CE 4.41Å
367	D	90.8	Very high	87.8	Confident	75 Å²	75	56.5 Å²	56.5	40%	0.401	27%	0.274	S	S	.	.	H	α-helix	trans	-63.1	-43.3	174.5	-173.5	60	0	0	0	111.5	R351 K363 E364 C369 N370 Q371	R351-D367 IonicContact CZ-OD2 3.63Å; R351-D367 VanDerWaalsContact CZ-OD2 3.24Å; R351-D367 IonicContact NH1-OD2 2.65Å; R351-D367 PolarHBondContact NH1-OD2 3.01Å; R351-D367 IonicContact NH2-OD2 3.56Å; R351-D367 PolarHBondContact NH2-OD2 2.99Å; K363-D367 PolarHBondContact O-N 3.18Å; E364-D367 PolarHBondContact O-N 2.66Å; D367-C369 PolarHBondContact O-N 2.71Å; D367-N370 WeakPolarHBondContact O-CB 3.46Å; D367-N370 PolarHBondContact O-N 3.33Å; D367-Q371 WeakPolarHBondContact O-CB 3.03Å; D367-Q371 PolarHBondContact O-N 3.14Å
368	A	92.9	Very high	88	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.6	-41.4	176.3	0	0	0	0	0	112.1	R351 I352 E364 L365 Q371 F372	R351-A368 HydrophobicContact CB-CB 4.28Å; R351-A368 HydrophobicContact CG-CB 3.94Å; I352-A368 HydrophobicContact CG1-CB 3.63Å; E364-A368 WeakPolarHBondContact O-CB 3.43Å; E364-A368 PolarHBondContact O-N 3.36Å; L365-A368 PolarHBondContact O-N 2.99Å; A368-Q371 WeakPolarHBondContact O-CB 3.49Å; A368-Q371 PolarHBondContact O-N 3.16Å; A368-F372 PolarHBondContact O-N 3.11Å
369	C	94.9	Very high	88.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.9	-43.5	172.7	-68.6	0	0	0	0	112.1	L194 L365 L366 D367 Q371 F372 Y373 I388	L194-C369 HydrophobicContact CD2-CB 4.08Å; L365-C369 WeakPolarHBondContact O-CB 3.44Å; L365-C369 PolarHBondContact O-N 3.36Å; L365-C369 PolarHBondContact O-SG 3.42Å; L366-C369 PolarHBondContact O-N 3.31Å; D367-C369 PolarHBondContact O-N 2.71Å; C369-Q371 VanDerWaalsContact C-N 3.3Å; C369-Q371 PolarHBondContact O-N 3.13Å; C369-F372 PolarHBondContact O-N 3.3Å; C369-Y373 HydrophobicContact CB-CE2 4.35Å; C369-Y373 WeakPolarHBondContact O-CD2 3.41Å; C369-Y373 PolarHBondContact O-N 3.37Å; C369-I388 PolarHBondContact SG-N 3.34Å; C369-I388 VanDerWaalsContact SG-N 3.41Å
370	N	92.8	Very high	89.2	Confident	18 Å²	18	37.5 Å²	37.5	10%	0.096	19%	0.193	C	C	.	.	H	α-helix	trans	-58.5	-44.5	174.9	-73.7	-35	0	0	0	111.1	N193 L194 L366 D367 T374	N193-N370 VanDerWaalsContact CA-OD1 3.29Å; N193-N370 WeakPolarHBondContact CA-OD1 3.48Å; L194-N370 WeakPolarHBondContact CD1-OD1 3.39Å; L194-N370 PolarHBondContact N-OD1 2.85Å; L366-N370 WeakPolarHBondContact O-CB 3.4Å; L366-N370 PolarHBondContact O-N 2.88Å; L366-N370 PolarHBondContact O-ND2 2.99Å; D367-N370 WeakPolarHBondContact O-CB 3.46Å; D367-N370 PolarHBondContact O-N 3.33Å; N370-T374 WeakPolarHBondContact O-CB 3.47Å; N370-T374 PolarHBondContact O-N 2.9Å; N370-T374 PolarHBondContact O-OG1 3.03Å
371	Q	92.4	Very high	90.3	Very high	53 Å²	53	37.3 Å²	37.3	25%	0.248	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-45.9	178.2	-171.9	176.1	13.9	0	0	111.2	A348 D367 A368 C369 T374 R375	A348-Q371 HydrophobicContact CB-CG 4.25Å; D367-Q371 WeakPolarHBondContact O-CB 3.03Å; D367-Q371 PolarHBondContact O-N 3.14Å; A368-Q371 WeakPolarHBondContact O-CB 3.49Å; A368-Q371 PolarHBondContact O-N 3.16Å; C369-Q371 VanDerWaalsContact C-N 3.3Å; C369-Q371 PolarHBondContact O-N 3.13Å; Q371-T374 PolarHBondContact O-N 3.08Å; Q371-R375 WeakPolarHBondContact O-CB 3.27Å; Q371-R375 WeakPolarHBondContact O-CG 3.12Å; Q371-R375 PolarHBondContact O-N 3.44Å
372	F	95.1	Very high	90.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60	-54.5	177.7	174.1	-107.1	0	0	0	112.3	A348 L349 I352 A368 C369 T374 R375 I376 H378 I388 K397 L401	A348-F372 HydrophobicContact CB-CB 3.93Å; A348-F372 HydrophobicContact CB-CD2 4.37Å; L349-F372 HydrophobicContact CD1-CE2 4.01Å; L349-F372 HydrophobicContact CD2-CD1 4.17Å; L349-F372 HydrophobicContact CD2-CD2 3.37Å; L349-F372 HydrophobicContact CD2-CE1 4.22Å; L349-F372 HydrophobicContact CD2-CE2 3.43Å; L349-F372 VanDerWaalsContact CD2-CE2 3.43Å; L349-F372 HydrophobicContact CD2-CG 3.77Å; L349-F372 HydrophobicContact CD2-CZ 3.87Å; L349-F372 HydrophobicContact CG-CD2 3.7Å; L349-F372 HydrophobicContact CG-CE2 3.64Å; L349-F372 HydrophobicContact CG-CZ 4.44Å; I352-F372 HydrophobicContact CD1-CB 3.85Å; I352-F372 HydrophobicContact CD1-CG 4.33Å; A368-F372 PolarHBondContact O-N 3.11Å; C369-F372 PolarHBondContact O-N 3.3Å; F372-T374 PolarHBondContact O-N 3Å; F372-R375 PolarHBondContact O-N 3.26Å; F372-R375 VanDerWaalsContact O-N 3.1Å; F372-I376 HydrophobicContact CD2-CG1 4.18Å; F372-I376 HydrophobicContact CE2-CB 4.12Å; F372-I376 HydrophobicContact CE2-CG1 3.8Å; F372-I376 HydrophobicContact CZ-CB 4.24Å; F372-I376 HydrophobicContact CZ-CG1 4.4Å; F372-I376 HydrophobicContact CZ-CG2 4.43Å; F372-I376 PolarHBondContact O-N 3.16Å; F372-H378 AromaticContact CE1-CE1 3.57Å; F372-H378 AromaticContact CZ-CE1 3.79Å; F372-I388 HydrophobicContact CD1-CD1 3.85Å; F372-I388 HydrophobicContact CE1-CD1 4.18Å; F372-K397 HydrophobicContact CE1-CB 4.12Å; F372-K397 HydrophobicContact CE1-CD 3.9Å; F372-K397 HydrophobicContact CE1-CG 3.81Å; F372-K397 HydrophobicContact CE2-CB 4.48Å; F372-K397 HydrophobicContact CZ-CB 3.76Å; F372-K397 HydrophobicContact CZ-CD 4.08Å; F372-K397 HydrophobicContact CZ-CG 3.96Å; F372-L401 HydrophobicContact CE2-CD1 4.44Å
373	Y	94.1	Very high	90.8	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-69.4	-22.6	-178.8	-64.7	-51.8	0	0	0	114	N190 T192 L194 C369 H378 F380 P385 P386	N190-Y373 PolarHBondContact ND2-O 2.91Å; T192-Y373 PolarHBondContact OG1-O 3.37Å; L194-Y373 HydrophobicContact CD1-CD2 3.8Å; L194-Y373 HydrophobicContact CD1-CE2 4.27Å; C369-Y373 HydrophobicContact CB-CE2 4.35Å; C369-Y373 WeakPolarHBondContact O-CD2 3.41Å; C369-Y373 PolarHBondContact O-N 3.37Å; Y373-H378 HydrophobicContact CD1-CB 4.2Å; Y373-H378 AromaticContact CD1-CG 3.86Å; Y373-H378 AromaticContact CD1-ND1 3.7Å; Y373-F380 AromaticContact CD1-CE2 3.84Å; Y373-F380 HydrophobicContact CD1-CE2 3.84Å; Y373-F380 AromaticContact CD1-CZ 3.9Å; Y373-F380 HydrophobicContact CD1-CZ 3.9Å; Y373-F380 AromaticContact CE1-CE2 3.84Å; Y373-F380 HydrophobicContact CE1-CE2 3.84Å; Y373-F380 AromaticContact CE1-CZ 3.45Å; Y373-F380 HydrophobicContact CE1-CZ 3.45Å; Y373-F380 VanDerWaalsContact CE1-CZ 3.45Å; Y373-F380 HydrophobicContact CG-CE2 4.25Å; Y373-F380 AromaticContact CZ-CZ 3.82Å; Y373-P385 HydrophobicContact CD2-CB 4.07Å; Y373-P385 HydrophobicContact CE2-CB 4.13Å; Y373-P386 WeakPolarHBondContact CE2-O 3.34Å; Y373-P386 VanDerWaalsContact CZ-O 3.32Å; Y373-P386 PolarHBondContact OH-O 2.97Å
374	T	91.3	Very high	90.7	Very high	9 Å²	9	38.4 Å²	38.4	6%	0.055	20%	0.195	C	C	.	.	H	α-helix	trans	-71.1	-41.4	171	-62	0	0	0	0	110.6	N190 T192 D272 N370 Q371 F372	N190-T374 WeakPolarHBondContact CB-O 3.46Å; N190-T374 WeakPolarHBondContact ND2-CA 3.36Å; N190-T374 PolarHBondContact ND2-O 2.75Å; N190-T374 WeakPolarHBondContact O-CG2 3.49Å; T192-T374 WeakPolarHBondContact CB-OG1 3.42Å; T192-T374 PolarHBondContact N-OG1 3.05Å; D272-T374 HydrophobicContact CB-CG2 3.31Å; N370-T374 WeakPolarHBondContact O-CB 3.47Å; N370-T374 PolarHBondContact O-N 2.9Å; N370-T374 PolarHBondContact O-OG1 3.03Å; Q371-T374 PolarHBondContact O-N 3.08Å; F372-T374 PolarHBondContact O-N 3Å
375	R	91.1	Very high	90.7	Very high	48 Å²	48	33.9 Å²	33.9	18%	0.181	17%	0.174	C	C	.	.	H	α-helix	trans	-75.2	-36.5	178.2	-71.9	180	173.1	-157.4	-6.8	113	Q341 A344 E347 Q371 F372	Q341-R375 PolarHBondContact NE2-O 3.43Å; A344-R375 VanDerWaalsContact CA-NH1 3.33Å; A344-R375 VanDerWaalsContact CB-NH1 3.32Å; A344-R375 VanDerWaalsContact O-CD 3.23Å; A344-R375 WeakPolarHBondContact O-CD 3.49Å; A344-R375 PolarHBondContact O-NH1 3.16Å; E347-R375 IonicContact OE2-NH1 2.77Å; E347-R375 PolarHBondContact OE2-NH1 3.06Å; E347-R375 VanDerWaalsContact OE2-NH1 3.13Å; Q371-R375 WeakPolarHBondContact O-CB 3.27Å; Q371-R375 WeakPolarHBondContact O-CG 3.12Å; Q371-R375 PolarHBondContact O-N 3.44Å; F372-R375 PolarHBondContact O-N 3.26Å; F372-R375 VanDerWaalsContact O-N 3.1Å
376	I	91.9	Very high	90.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-118.8	97.8	-176.2	-52.3	-63	0	0	0	107.8	F327 L337 F372 H378 L400 L401 L404	F327-I376 HydrophobicContact CD2-CG2 3.98Å; F327-I376 HydrophobicContact CE2-CG2 3.99Å; L337-I376 HydrophobicContact CD2-CD1 4.43Å; F372-I376 HydrophobicContact CD2-CG1 4.18Å; F372-I376 HydrophobicContact CE2-CB 4.12Å; F372-I376 HydrophobicContact CE2-CG1 3.8Å; F372-I376 HydrophobicContact CZ-CB 4.24Å; F372-I376 HydrophobicContact CZ-CG1 4.4Å; F372-I376 HydrophobicContact CZ-CG2 4.43Å; F372-I376 PolarHBondContact O-N 3.16Å; I376-H378 PolarHBondContact O-N 3.24Å; I376-H378 PolarHBondContact O-ND1 3.03Å; I376-L400 HydrophobicContact CG2-CD2 4.27Å; I376-L401 HydrophobicContact CD1-CD2 3.66Å; I376-L401 HydrophobicContact CG1-CD2 3.9Å; I376-L401 HydrophobicContact CG2-CD2 4.37Å; I376-L404 HydrophobicContact CG2-CD1 4.37Å
377	P	89.3	Confident	90.9	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.013	19%	0.19	C	C	.	.			trans	-59.5	126.2	-174.4	-25.5	35.5	0	0	0	112.5	V274 F327 D328	V274-P377 HydrophobicContact CG2-CG 4.43Å; F327-P377 WeakPolarHBondContact CD2-O 3.45Å; D328-P377 HydrophobicContact CB-CB 4.15Å; D328-P377 PolarHBondContact N-O 2.93Å
378	H	90.9	Very high	91.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-123.7	137.3	177.4	-78.9	67.3	0	0	0	112.3	N199 V224 K326 F372 Y373 I376 F380 K397 L400	N199-H378 PolarHBondContact ND2-O 3.41Å; V224-H378 WeakPolarHBondContact CG1-O 3.38Å; K326-H378 CarbonylContact O-C 3.38Å; K326-H378 WeakPolarHBondContact O-CA 2.95Å; K326-H378 WeakPolarHBondContact O-CB 3.32Å; K326-H378 PolarHBondContact O-CD2 2.92Å; F372-H378 AromaticContact CE1-CE1 3.57Å; F372-H378 AromaticContact CZ-CE1 3.79Å; Y373-H378 HydrophobicContact CD1-CB 4.2Å; Y373-H378 AromaticContact CD1-CG 3.86Å; Y373-H378 AromaticContact CD1-ND1 3.7Å; I376-H378 PolarHBondContact O-N 3.24Å; I376-H378 PolarHBondContact O-ND1 3.03Å; H378-F380 HydrophobicContact CB-CD2 3.97Å; H378-F380 HydrophobicContact CB-CE1 4.2Å; H378-F380 HydrophobicContact CB-CE2 3.25Å; H378-F380 HydrophobicContact CB-CZ 3.39Å; H378-F380 AromaticContact CD2-CZ 3.61Å; H378-F380 AromaticContact CG-CZ 3.74Å; H378-K397 PolarHBondContact NE2-NZ 3.26Å; H378-K397 VanDerWaalsContact NE2-NZ 3.18Å; H378-L400 WeakPolarHBondContact NE2-CD2 3.31Å
379	D	88.3	Confident	91	Very high	49 Å²	49	40.2 Å²	40.2	26%	0.262	20%	0.199	S	C	.	.			trans	-92.7	107.3	171.6	-174.7	11.1	0	0	0	111.4	G225 K326 D328 G381	G225-D379 VanDerWaalsContact CA-OD2 3.22Å; G225-D379 WeakPolarHBondContact CA-OD2 3.48Å; K326-D379 PolarHBondContact O-N 3.15Å; D328-D379 HydrophobicContact CB-CB 4.49Å; D379-G381 WeakPolarHBondContact OD1-CA 3.28Å; D379-G381 PolarHBondContact OD1-N 2.95Å
380	F	87.9	Confident	90.9	Very high	30 Å²	30	42.9 Å²	42.9	13%	0.132	22%	0.216	C	C	.	.			trans	-103.6	13.9	174	-59.9	-65.3	0	0	0	112.8	K326 Y373 H378 L382 K383 P385 P386	K326-F380 HydrophobicContact CB-CE1 4.26Å; Y373-F380 AromaticContact CD1-CE2 3.84Å; Y373-F380 HydrophobicContact CD1-CE2 3.84Å; Y373-F380 AromaticContact CD1-CZ 3.9Å; Y373-F380 HydrophobicContact CD1-CZ 3.9Å; Y373-F380 AromaticContact CE1-CE2 3.84Å; Y373-F380 HydrophobicContact CE1-CE2 3.84Å; Y373-F380 AromaticContact CE1-CZ 3.45Å; Y373-F380 HydrophobicContact CE1-CZ 3.45Å; Y373-F380 VanDerWaalsContact CE1-CZ 3.45Å; Y373-F380 HydrophobicContact CG-CE2 4.25Å; Y373-F380 AromaticContact CZ-CZ 3.82Å; H378-F380 HydrophobicContact CB-CD2 3.97Å; H378-F380 HydrophobicContact CB-CE1 4.2Å; H378-F380 HydrophobicContact CB-CE2 3.25Å; H378-F380 HydrophobicContact CB-CZ 3.39Å; H378-F380 AromaticContact CD2-CZ 3.61Å; H378-F380 AromaticContact CG-CZ 3.74Å; F380-L382 PolarHBondContact O-N 3.22Å; F380-K383 WeakPolarHBondContact O-CB 3.19Å; F380-K383 PolarHBondContact O-N 3.1Å; F380-K383 VanDerWaalsContact O-N 3.17Å; F380-P385 HydrophobicContact CD2-CB 3.54Å; F380-P385 HydrophobicContact CD2-CG 3.73Å; F380-P385 HydrophobicContact CE2-CB 3.57Å; F380-P385 HydrophobicContact CE2-CG 4.16Å; F380-P385 HydrophobicContact CG-CB 4.38Å; F380-P385 HydrophobicContact CZ-CB 4.46Å; F380-P386 HydrophobicContact CD1-CG 4.38Å; F380-P386 VanDerWaalsContact CE1-CD 3.4Å; F380-P386 HydrophobicContact CE1-CG 3.9Å; F380-P386 HydrophobicContact CZ-CG 4.29Å
381	G	87.5	Confident	90.7	Very high	20 Å²	20	45 Å²	45	21%	0.206	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	-136.6	-170.5	0	0	0	0	0	110.3	R223 D379 K383	R223-G381 PolarHBondContact NE-O 3.44Å; R223-G381 PolarHBondContact NH2-O 2.87Å; D379-G381 WeakPolarHBondContact OD1-CA 3.28Å; D379-G381 PolarHBondContact OD1-N 2.95Å; G381-K383 VanDerWaalsContact C-N 3.34Å
382	L	84.4	Confident	90.6	Very high	135 Å²	135	47.7 Å²	47.7	71%	0.707	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-8.9	177.9	-61.3	178.4	0	0	0	113.9	N197 R223 F380	N197-L382 PolarHBondContact ND2-O 3.13Å; N197-L382 VanDerWaalsContact ND2-O 3.16Å; R223-L382 PolarHBondContact NH2-O 3.37Å; F380-L382 PolarHBondContact O-N 3.22Å
383	K	87.9	Confident	90.5	Very high	160 Å²	160	50.8 Å²	50.8	70%	0.696	25%	0.252	S	S	*	.	S	Bend	trans	-71.9	150.7	-178.9	-62.9	-174.8	178.3	-176.1	0	110.5	N197 R223 F380 G381	N197-K383 PolarHBondContact OD1-O 3.02Å; R223-K383 PolarHBondContact NH2-O 3.45Å; F380-K383 WeakPolarHBondContact O-CB 3.19Å; F380-K383 PolarHBondContact O-N 3.1Å; F380-K383 VanDerWaalsContact O-N 3.17Å; G381-K383 VanDerWaalsContact C-N 3.34Å
384	T	86.9	Confident	90.5	Very high	72 Å²	72	50.7 Å²	50.7	44%	0.442	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-61.6	134.1	171.1	-54.4	0	0	0	0	109.1	L194 N197	L194-T384 VanDerWaalsContact O-CG2 3.3Å; L194-T384 WeakPolarHBondContact O-CG2 3.34Å; N197-T384 HydrophobicContact CB-CG2 4.28Å; N197-T384 PolarHBondContact ND2-OG1 2.96Å; N197-T384 WeakPolarHBondContact OD1-CA 3.48Å
385	P	91.1	Very high	90.4	Very high	4 Å²	4	54.1 Å²	54.1	3%	0.026	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-52.1	131.1	172.2	-24.9	32.9	0	0	0	110.6	T192 L194 N199 Y373 F380	T192-P385 HydrophobicContact CG2-CB 4.49Å; T192-P385 HydrophobicContact CG2-CG 3.97Å; L194-P385 HydrophobicContact CD1-CB 3.83Å; L194-P385 HydrophobicContact CD1-CG 4.31Å; L194-P385 WeakPolarHBondContact CD2-O 3.27Å; L194-P385 HydrophobicContact CG-CB 3.98Å; L194-P385 WeakPolarHBondContact CG-O 3.44Å; N199-P385 HydrophobicContact CB-CG 4.11Å; Y373-P385 HydrophobicContact CD2-CB 4.07Å; Y373-P385 HydrophobicContact CE2-CB 4.13Å; F380-P385 HydrophobicContact CD2-CB 3.54Å; F380-P385 HydrophobicContact CD2-CG 3.73Å; F380-P385 HydrophobicContact CE2-CB 3.57Å; F380-P385 HydrophobicContact CE2-CG 4.16Å; F380-P385 HydrophobicContact CG-CB 4.38Å; F380-P385 HydrophobicContact CZ-CB 4.46Å
386	P	93	Very high	90.5	Very high	62 Å²	62	57.5 Å²	57.5	40%	0.403	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-71	142.1	-177.4	28.7	-32.8	0	0	0	110.7	Y373 F380	Y373-P386 WeakPolarHBondContact CE2-O 3.34Å; Y373-P386 VanDerWaalsContact CZ-O 3.32Å; Y373-P386 PolarHBondContact OH-O 2.97Å; F380-P386 HydrophobicContact CD1-CG 4.38Å; F380-P386 VanDerWaalsContact CE1-CD 3.4Å; F380-P386 HydrophobicContact CE1-CG 3.9Å; F380-P386 HydrophobicContact CZ-CG 4.29Å
387	M	93.8	Very high	90.6	Very high	23 Å²	23	58.4 Å²	58.4	11%	0.113	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-73.8	136.9	169.9	-175.8	-178.2	-70.7	0	0	108.9	L194 L365 L366 R389	L194-M387 HydrophobicContact CD2-CB 4.32Å; L365-M387 HydrophobicContact CD2-CG 4.07Å; L365-M387 HydrophobicContact CD2-SD 3.75Å; L365-M387 HydrophobicContact CG-CG 4.16Å; L365-M387 HydrophobicContact CG-SD 4.16Å; L366-M387 HydrophobicContact CB-CE 4.02Å; L366-M387 HydrophobicContact CD1-CE 3.68Å; L366-M387 HydrophobicContact CG-CE 4.41Å; M387-R389 HydrophobicContact CB-CG 4.16Å; M387-R389 HydrophobicContact CG-CG 3.83Å; M387-R389 PolarHBondContact O-N 3.29Å; M387-R389 HydrophobicContact SD-CG 3.96Å; M387-R389 PolarHBondContact SD-NE 3.08Å; M387-R389 VanDerWaalsContact SD-NE 3.35Å
388	I	95	Very high	90.8	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.01	29%	0.289	C	S	.	.			trans	-84.2	107.6	175.6	-60.5	159.6	0	0	0	107.2	L349 I352 L365 C369 F372 E393 L394 K397	L349-I388 HydrophobicContact CD2-CD1 4.42Å; I352-I388 HydrophobicContact CD1-CD1 3.74Å; I352-I388 HydrophobicContact CG2-CB 4.14Å; I352-I388 HydrophobicContact CG2-CG2 3.85Å; L365-I388 WeakPolarHBondContact CD1-O 3.17Å; C369-I388 PolarHBondContact SG-N 3.34Å; C369-I388 VanDerWaalsContact SG-N 3.41Å; F372-I388 HydrophobicContact CD1-CD1 3.85Å; F372-I388 HydrophobicContact CE1-CD1 4.18Å; I388-E393 WeakPolarHBondContact CA-OE2 3.44Å; I388-E393 HydrophobicContact CG2-CB 3.97Å; I388-L394 HydrophobicContact CG2-CB 4.14Å; I388-K397 HydrophobicContact CD1-CG 3.91Å
389	R	92.4	Very high	90.8	Very high	155 Å²	155	59.8 Å²	59.8	59%	0.585	30%	0.298	S	S	*	.			trans	-116.5	-19.2	-171.5	-64.9	-170.5	-179.7	108.8	-4.7	113.9	L356 L365 M387 E393	L356-R389 WeakPolarHBondContact CD2-O 3.37Å; L365-R389 HydrophobicContact CD2-CG 4.47Å; M387-R389 HydrophobicContact CB-CG 4.16Å; M387-R389 HydrophobicContact CG-CG 3.83Å; M387-R389 PolarHBondContact O-N 3.29Å; M387-R389 HydrophobicContact SD-CG 3.96Å; M387-R389 PolarHBondContact SD-NE 3.08Å; M387-R389 VanDerWaalsContact SD-NE 3.35Å; R389-E393 PolarHBondContact N-OE2 2.96Å
390	T	91.5	Very high	91.1	Very high	57 Å²	57	57.4 Å²	57.4	35%	0.35	29%	0.285	S	S	.	.	S	Bend	trans	-117.6	162.5	-178.2	75	0	0	0	0	112	E392 E393 L394	T390-E392 WeakPolarHBondContact CB-OE2 3.11Å; T390-E392 PolarHBondContact O-N 3.49Å; T390-E392 PolarHBondContact OG1-N 3.09Å; T390-E392 PolarHBondContact OG1-OE2 2.76Å; T390-E393 PolarHBondContact N-OE2 3.33Å; T390-E393 WeakPolarHBondContact OG1-CG 3.48Å; T390-E393 PolarHBondContact OG1-N 2.77Å; T390-E393 VanDerWaalsContact OG1-N 3.15Å; T390-L394 PolarHBondContact O-N 2.98Å; T390-L394 VanDerWaalsContact O-N 3.16Å
391	E	89.1	Confident	91.3	Very high	63 Å²	63	56 Å²	56	29%	0.294	28%	0.279	S	S	.	.	H	α-helix	trans	-66.6	-31.7	174.4	-62.1	-161.5	159.6	0	0	111.3	L394 K395 T520 Y570	E391-L394 WeakPolarHBondContact O-CB 3.41Å; E391-L394 PolarHBondContact O-N 3.34Å; E391-K395 WeakPolarHBondContact O-CB 3.33Å; E391-K395 VanDerWaalsContact O-CG 3.24Å; E391-K395 WeakPolarHBondContact O-CG 3.11Å; E391-K395 PolarHBondContact O-N 3.35Å; E391-T520 HydrophobicContact CB-CG2 3.63Å; E391-T520 HydrophobicContact CG-CG2 3.59Å; E391-Y570 PolarHBondContact OE2-OH 2.91Å
392	E	90.3	Very high	91.5	Very high	109 Å²	109	58.1 Å²	58.1	51%	0.509	28%	0.284	S	S	.	.	H	α-helix	trans	-64.7	-48.8	176.8	-65.2	65.6	-140.1	0	0	111.1	T390 L394 K395 E396	T390-E392 WeakPolarHBondContact CB-OE2 3.11Å; T390-E392 PolarHBondContact O-N 3.49Å; T390-E392 PolarHBondContact OG1-N 3.09Å; T390-E392 PolarHBondContact OG1-OE2 2.76Å; E392-L394 VanDerWaalsContact C-N 3.26Å; E392-L394 PolarHBondContact O-N 2.93Å; E392-K395 WeakPolarHBondContact O-CB 3.41Å; E392-K395 PolarHBondContact O-N 3.43Å; E392-K395 VanDerWaalsContact O-N 3.13Å; E392-E396 PolarHBondContact O-N 3.35Å
393	E	93.2	Very high	91.9	Very high	64 Å²	64	51.7 Å²	51.7	30%	0.299	25%	0.25	S	C	.	.	H	α-helix	trans	-61.6	-36.9	175.9	-69.9	173	155.7	0	0	111.2	I388 R389 T390 E396 K397	I388-E393 WeakPolarHBondContact CA-OE2 3.44Å; I388-E393 HydrophobicContact CG2-CB 3.97Å; R389-E393 PolarHBondContact N-OE2 2.96Å; T390-E393 PolarHBondContact N-OE2 3.33Å; T390-E393 WeakPolarHBondContact OG1-CG 3.48Å; T390-E393 PolarHBondContact OG1-N 2.77Å; T390-E393 VanDerWaalsContact OG1-N 3.15Å; E393-E396 PolarHBondContact O-N 3.24Å; E393-K397 WeakPolarHBondContact O-CG 3.24Å; E393-K397 PolarHBondContact O-N 3.45Å
394	L	93.3	Very high	92	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.6	-44.4	174.3	179.5	60.5	0	0	0	111.5	L349 I352 E353 L356 I388 T390 E391 E392 E396 K397 I398 P518 T520	L349-L394 HydrophobicContact CB-CD1 3.92Å; L349-L394 HydrophobicContact CD1-CD1 4.46Å; L349-L394 HydrophobicContact CD2-CD1 3.87Å; L349-L394 HydrophobicContact CG-CD1 4.3Å; I352-L394 HydrophobicContact CG2-CD1 4.31Å; E353-L394 HydrophobicContact CB-CD2 3.8Å; E353-L394 HydrophobicContact CG-CD2 4.19Å; L356-L394 HydrophobicContact CD1-CD2 4.31Å; I388-L394 HydrophobicContact CG2-CB 4.14Å; T390-L394 PolarHBondContact O-N 2.98Å; T390-L394 VanDerWaalsContact O-N 3.16Å; E391-L394 WeakPolarHBondContact O-CB 3.41Å; E391-L394 PolarHBondContact O-N 3.34Å; E392-L394 VanDerWaalsContact C-N 3.26Å; E392-L394 PolarHBondContact O-N 2.93Å; L394-E396 VanDerWaalsContact C-N 3.33Å; L394-E396 PolarHBondContact O-N 3.27Å; L394-K397 PolarHBondContact O-N 3.48Å; L394-K397 VanDerWaalsContact O-N 3.1Å; L394-I398 HydrophobicContact CG-CD1 4.21Å; L394-I398 WeakPolarHBondContact O-CG1 3.5Å; L394-I398 PolarHBondContact O-N 3.33Å; L394-P518 HydrophobicContact CD1-CG 4.27Å; L394-P518 HydrophobicContact CD2-CB 4.36Å; L394-T520 HydrophobicContact CD2-CG2 3.76Å
395	K	90.8	Very high	92.2	Very high	82 Å²	82	42.6 Å²	42.6	36%	0.357	21%	0.209	S	C	.	.	H	α-helix	trans	-58.7	-42.4	176	-76.1	172.2	-158.3	172.1	0	111.9	E391 E392 K397 I398 A399	E391-K395 WeakPolarHBondContact O-CB 3.33Å; E391-K395 VanDerWaalsContact O-CG 3.24Å; E391-K395 WeakPolarHBondContact O-CG 3.11Å; E391-K395 PolarHBondContact O-N 3.35Å; E392-K395 WeakPolarHBondContact O-CB 3.41Å; E392-K395 PolarHBondContact O-N 3.43Å; E392-K395 VanDerWaalsContact O-N 3.13Å; K395-K397 VanDerWaalsContact C-N 3.26Å; K395-K397 PolarHBondContact O-N 3.44Å; K395-I398 PolarHBondContact O-N 2.95Å; K395-A399 WeakPolarHBondContact O-CB 3.49Å; K395-A399 PolarHBondContact O-N 2.96Å
396	E	91.7	Very high	92.1	Very high	118 Å²	118	42.9 Å²	42.9	55%	0.551	21%	0.21	S	C	*	.	H	α-helix	trans	-59.5	-38	175.3	-70.8	178.2	-176.4	0	0	112.2	E392 E393 L394 L400	E392-E396 PolarHBondContact O-N 3.35Å; E393-E396 PolarHBondContact O-N 3.24Å; L394-E396 VanDerWaalsContact C-N 3.33Å; L394-E396 PolarHBondContact O-N 3.27Å; E396-L400 PolarHBondContact O-N 3.03Å; E396-L400 VanDerWaalsContact O-N 3.08Å
397	K	94.8	Very high	91.9	Very high	20 Å²	20	40 Å²	40	9%	0.087	19%	0.191	C	C	.	.	H	α-helix	trans	-75.6	-31.5	177.3	-60.5	-45.2	174.6	-170.9	0	113.4	L349 F372 H378 I388 E393 L394 K395 L400 L401	L349-K397 HydrophobicContact CD1-CB 3.87Å; L349-K397 HydrophobicContact CD2-CB 3.78Å; L349-K397 HydrophobicContact CG-CB 4.5Å; F372-K397 HydrophobicContact CE1-CB 4.12Å; F372-K397 HydrophobicContact CE1-CD 3.9Å; F372-K397 HydrophobicContact CE1-CG 3.81Å; F372-K397 HydrophobicContact CE2-CB 4.48Å; F372-K397 HydrophobicContact CZ-CB 3.76Å; F372-K397 HydrophobicContact CZ-CD 4.08Å; F372-K397 HydrophobicContact CZ-CG 3.96Å; H378-K397 PolarHBondContact NE2-NZ 3.26Å; H378-K397 VanDerWaalsContact NE2-NZ 3.18Å; I388-K397 HydrophobicContact CD1-CG 3.91Å; E393-K397 WeakPolarHBondContact O-CG 3.24Å; E393-K397 PolarHBondContact O-N 3.45Å; L394-K397 PolarHBondContact O-N 3.48Å; L394-K397 VanDerWaalsContact O-N 3.1Å; K395-K397 VanDerWaalsContact C-N 3.26Å; K395-K397 PolarHBondContact O-N 3.44Å; K397-L400 PolarHBondContact O-N 2.91Å; K397-L401 PolarHBondContact O-N 2.82Å
398	I	93.1	Very high	91.5	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-62.7	-48.9	170	-67.7	168.8	0	0	0	109.7	Y346 L349 L394 K395 L400 L401 E402 P518 T520 Y522	Y346-I398 HydrophobicContact CE1-CG2 4.32Å; L349-I398 HydrophobicContact CD1-CG1 3.86Å; L394-I398 HydrophobicContact CG-CD1 4.21Å; L394-I398 WeakPolarHBondContact O-CG1 3.5Å; L394-I398 PolarHBondContact O-N 3.33Å; K395-I398 PolarHBondContact O-N 2.95Å; I398-L400 PolarHBondContact O-N 2.91Å; I398-L401 PolarHBondContact O-N 3.26Å; I398-E402 HydrophobicContact CG2-CG 4.48Å; I398-E402 WeakPolarHBondContact O-CG 3.26Å; I398-E402 PolarHBondContact O-N 3.38Å; I398-P518 HydrophobicContact CD1-CB 3.85Å; I398-P518 HydrophobicContact CD1-CG 3.79Å; I398-P518 HydrophobicContact CG1-CG 4.04Å; I398-T520 WeakPolarHBondContact CD1-O 3.49Å; I398-Y522 WeakPolarHBondContact CG2-OH 3.48Å
399	A	91.6	Very high	91.2	Very high	24 Å²	24	40.3 Å²	40.3	20%	0.198	19%	0.193	C	C	.	.	H	α-helix	trans	-58.8	-34.9	177.6	0	0	0	0	0	112.4	M325 K395 E402 A403	M325-A399 HydrophobicContact CE-CB 3.95Å; K395-A399 WeakPolarHBondContact O-CB 3.49Å; K395-A399 PolarHBondContact O-N 2.96Å; A399-E402 PolarHBondContact O-N 3.41Å; A399-A403 WeakPolarHBondContact O-CB 3.4Å; A399-A403 PolarHBondContact O-N 3.13Å
400	L	93.4	Very high	90.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.5	-46.3	174	172.2	60.9	0	0	0	111.3	V322 M325 F327 I376 H378 E396 K397 I398 E402 A403 L404	V322-L400 HydrophobicContact CB-CD1 4.37Å; V322-L400 HydrophobicContact CG1-CD1 4.38Å; M325-L400 HydrophobicContact CB-CD1 3.91Å; M325-L400 VanDerWaalsContact CE-CA 3.42Å; M325-L400 HydrophobicContact CE-CB 3.75Å; M325-L400 VanDerWaalsContact CE-N 3.26Å; M325-L400 HydrophobicContact SD-CB 4.31Å; M325-L400 HydrophobicContact SD-CD1 4.08Å; F327-L400 HydrophobicContact CB-CD1 3.98Å; F327-L400 HydrophobicContact CB-CD2 4.5Å; F327-L400 HydrophobicContact CG-CD1 4.47Å; I376-L400 HydrophobicContact CG2-CD2 4.27Å; H378-L400 WeakPolarHBondContact NE2-CD2 3.31Å; E396-L400 PolarHBondContact O-N 3.03Å; E396-L400 VanDerWaalsContact O-N 3.08Å; K397-L400 PolarHBondContact O-N 2.91Å; I398-L400 PolarHBondContact O-N 2.91Å; L400-E402 VanDerWaalsContact C-N 3.34Å; L400-A403 PolarHBondContact O-N 3.47Å; L400-L404 HydrophobicContact CD1-CD1 3.92Å; L400-L404 HydrophobicContact CD1-CG 3.99Å; L400-L404 HydrophobicContact CG-CD1 3.93Å; L400-L404 HydrophobicContact CG-CG 4.43Å; L400-L404 WeakPolarHBondContact O-CB 3.46Å; L400-L404 VanDerWaalsContact O-CG 3.26Å; L400-L404 WeakPolarHBondContact O-CG 3.36Å; L400-L404 PolarHBondContact O-N 3.1Å
401	L	93.4	Very high	90.6	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.9	-36.1	179.9	-67	-178.1	0	0	0	112.3	I342 Y346 L349 F372 I376 K397 I398 L404 S405	I342-L401 HydrophobicContact CG2-CB 4.41Å; Y346-L401 HydrophobicContact CD1-CB 4.38Å; Y346-L401 HydrophobicContact CD1-CD1 3.57Å; Y346-L401 HydrophobicContact CD2-CD1 4.12Å; Y346-L401 HydrophobicContact CE1-CB 3.76Å; Y346-L401 HydrophobicContact CE1-CD1 3.81Å; Y346-L401 HydrophobicContact CE1-CG 4.44Å; Y346-L401 HydrophobicContact CE2-CB 3.94Å; Y346-L401 HydrophobicContact CE2-CD1 4.33Å; Y346-L401 HydrophobicContact CG-CD1 3.73Å; L349-L401 HydrophobicContact CD1-CD1 3.63Å; L349-L401 HydrophobicContact CD1-CG 4.4Å; L349-L401 HydrophobicContact CG-CD1 4.29Å; F372-L401 HydrophobicContact CE2-CD1 4.44Å; I376-L401 HydrophobicContact CD1-CD2 3.66Å; I376-L401 HydrophobicContact CG1-CD2 3.9Å; I376-L401 HydrophobicContact CG2-CD2 4.37Å; K397-L401 PolarHBondContact O-N 2.82Å; I398-L401 PolarHBondContact O-N 3.26Å; L401-L404 HydrophobicContact CD2-CD1 4.34Å; L401-L404 PolarHBondContact O-N 2.87Å; L401-S405 WeakPolarHBondContact O-CB 3.37Å; L401-S405 PolarHBondContact O-N 3.27Å
402	E	91.6	Very high	90.3	Very high	64 Å²	64	32.7 Å²	32.7	30%	0.299	16%	0.16	S	C	.	.	H	α-helix	trans	-61.2	-50.3	172.9	-68.6	174.8	165	0	0	110.6	Y346 I398 A399 L400 L404 S405 D406 Y522	Y346-E402 VanDerWaalsContact OH-CG 3.23Å; Y346-E402 WeakPolarHBondContact OH-CG 3.23Å; Y346-E402 PolarHBondContact OH-N 2.88Å; I398-E402 HydrophobicContact CG2-CG 4.48Å; I398-E402 WeakPolarHBondContact O-CG 3.26Å; I398-E402 PolarHBondContact O-N 3.38Å; A399-E402 PolarHBondContact O-N 3.41Å; L400-E402 VanDerWaalsContact C-N 3.34Å; E402-L404 PolarHBondContact O-N 3.46Å; E402-S405 WeakPolarHBondContact O-CB 3.47Å; E402-S405 PolarHBondContact O-N 3.4Å; E402-S405 VanDerWaalsContact O-N 3.16Å; E402-D406 PolarHBondContact O-N 2.92Å; E402-Y522 PolarHBondContact OE1-OH 2.83Å
403	A	91.6	Very high	90.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.8	-42.8	177.7	0	0	0	0	0	112.5	A399 L400 S405 D406 I407 N501	A399-A403 WeakPolarHBondContact O-CB 3.4Å; A399-A403 PolarHBondContact O-N 3.13Å; L400-A403 PolarHBondContact O-N 3.47Å; A403-S405 VanDerWaalsContact C-N 3.3Å; A403-S405 PolarHBondContact O-N 3.36Å; A403-D406 PolarHBondContact O-N 3.09Å; A403-I407 WeakPolarHBondContact O-CB 3.25Å; A403-I407 WeakPolarHBondContact O-CD1 3.39Å; A403-I407 WeakPolarHBondContact O-CG1 3.41Å; A403-I407 PolarHBondContact O-N 3.28Å; A403-N501 WeakPolarHBondContact CA-OD1 3.24Å
404	L	90.7	Very high	89.5	Confident	11 Å²	11	26.5 Å²	26.5	6%	0.058	14%	0.137	C	C	.	.	H	α-helix	trans	-61.6	-38	176.3	-72.2	170.2	0	0	0	112.4	V322 F327 L337 I342 I376 L400 L401 E402 Q408	V322-L404 HydrophobicContact CG1-CD2 4.04Å; F327-L404 HydrophobicContact CD1-CD2 3.85Å; F327-L404 HydrophobicContact CD2-CD1 3.86Å; F327-L404 HydrophobicContact CD2-CD2 4.24Å; F327-L404 HydrophobicContact CE1-CD2 3.63Å; F327-L404 HydrophobicContact CE2-CD1 3.69Å; F327-L404 HydrophobicContact CE2-CD2 4.05Å; F327-L404 HydrophobicContact CG-CD1 4.46Å; F327-L404 HydrophobicContact CG-CD2 4.14Å; F327-L404 HydrophobicContact CZ-CD1 4.16Å; F327-L404 HydrophobicContact CZ-CD2 3.72Å; L337-L404 HydrophobicContact CD2-CD1 4.09Å; I342-L404 HydrophobicContact CD1-CB 4.39Å; I376-L404 HydrophobicContact CG2-CD1 4.37Å; L400-L404 HydrophobicContact CD1-CD1 3.92Å; L400-L404 HydrophobicContact CD1-CG 3.99Å; L400-L404 HydrophobicContact CG-CD1 3.93Å; L400-L404 HydrophobicContact CG-CG 4.43Å; L400-L404 WeakPolarHBondContact O-CB 3.46Å; L400-L404 VanDerWaalsContact O-CG 3.26Å; L400-L404 WeakPolarHBondContact O-CG 3.36Å; L400-L404 PolarHBondContact O-N 3.1Å; L401-L404 HydrophobicContact CD2-CD1 4.34Å; L401-L404 PolarHBondContact O-N 2.87Å; E402-L404 PolarHBondContact O-N 3.46Å; L404-Q408 PolarHBondContact O-N 3.22Å
405	S	90.4	Very high	88.7	Confident	30 Å²	30	29.8 Å²	29.8	21%	0.21	15%	0.152	C	C	.	.	H	α-helix	trans	-64.7	-45.1	175.8	-172.4	0	0	0	0	111.6	L401 E402 A403 Q408 I409	L401-S405 WeakPolarHBondContact O-CB 3.37Å; L401-S405 PolarHBondContact O-N 3.27Å; E402-S405 WeakPolarHBondContact O-CB 3.47Å; E402-S405 PolarHBondContact O-N 3.4Å; E402-S405 VanDerWaalsContact O-N 3.16Å; A403-S405 VanDerWaalsContact C-N 3.3Å; A403-S405 PolarHBondContact O-N 3.36Å; S405-Q408 WeakPolarHBondContact O-CB 3.46Å; S405-Q408 PolarHBondContact O-N 2.74Å; S405-I409 PolarHBondContact O-N 3.27Å
406	D	90.8	Very high	88	Confident	10 Å²	10	27.5 Å²	27.5	5%	0.053	15%	0.146	C	C	.	.	H	α-helix	trans	-70.3	-37.6	179.1	-74.3	-32.1	0	0	0	113	E402 A403 Q408 I409 A410 N501 R511	E402-D406 PolarHBondContact O-N 2.92Å; A403-D406 PolarHBondContact O-N 3.09Å; D406-Q408 VanDerWaalsContact C-N 3.28Å; D406-Q408 PolarHBondContact O-N 3.3Å; D406-I409 WeakPolarHBondContact O-CB 3.22Å; D406-I409 PolarHBondContact O-N 3.33Å; D406-I409 VanDerWaalsContact O-N 3.14Å; D406-A410 PolarHBondContact O-N 3.5Å; D406-N501 HydrophobicContact CB-CB 4.28Å; D406-N501 VanDerWaalsContact OD2-CB 3.26Å; D406-N501 WeakPolarHBondContact OD2-CB 3.31Å; D406-R511 IonicContact OD1-CZ 3.11Å; D406-R511 IonicContact OD1-NH2 3.96Å; D406-R511 PolarHBondContact OD1-NH2 3.44Å
407	I	87.3	Confident	86.9	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-63.3	-37.1	173.3	-67	164.7	0	0	0	110.5	M318 V322 L334 A403 I409 A410 V411	M318-I407 HydrophobicContact CB-CD1 3.98Å; M318-I407 HydrophobicContact CB-CG1 3.96Å; M318-I407 HydrophobicContact CB-CG2 4.4Å; M318-I407 HydrophobicContact CG-CG1 4.08Å; M318-I407 HydrophobicContact SD-CB 4.45Å; M318-I407 HydrophobicContact SD-CG1 3.99Å; M318-I407 HydrophobicContact SD-CG2 4.17Å; V322-I407 HydrophobicContact CG1-CD1 3.41Å; V322-I407 VanDerWaalsContact CG1-CD1 3.41Å; L334-I407 HydrophobicContact CB-CG2 3.9Å; L334-I407 HydrophobicContact CD1-CG2 4.01Å; L334-I407 HydrophobicContact CD2-CD1 4.45Å; L334-I407 HydrophobicContact CD2-CG2 4Å; L334-I407 HydrophobicContact CG-CG2 4.2Å; A403-I407 WeakPolarHBondContact O-CB 3.25Å; A403-I407 WeakPolarHBondContact O-CD1 3.39Å; A403-I407 WeakPolarHBondContact O-CG1 3.41Å; A403-I407 PolarHBondContact O-N 3.28Å; I407-I409 VanDerWaalsContact C-N 3.29Å; I407-I409 PolarHBondContact O-N 3.01Å; I407-A410 PolarHBondContact O-N 3.12Å; I407-A410 VanDerWaalsContact O-N 3.15Å; I407-V411 HydrophobicContact CG2-CG2 4.29Å; I407-V411 WeakPolarHBondContact O-CG2 3.23Å; I407-V411 PolarHBondContact O-N 2.86Å
408	Q	86.1	Confident	85.7	Confident	11 Å²	11	29.2 Å²	29.2	5%	0.051	17%	0.169	C	C	.	.	H	α-helix	trans	-59.7	-41.7	174.1	-166.8	-162.7	38.8	0	0	111.7	L337 S339 L404 S405 D406 K412	L337-Q408 PolarHBondContact O-NE2 2.92Å; S339-Q408 PolarHBondContact OG-OE1 3.16Å; L404-Q408 PolarHBondContact O-N 3.22Å; S405-Q408 WeakPolarHBondContact O-CB 3.46Å; S405-Q408 PolarHBondContact O-N 2.74Å; D406-Q408 VanDerWaalsContact C-N 3.28Å; D406-Q408 PolarHBondContact O-N 3.3Å; Q408-K412 WeakPolarHBondContact O-CG 3.48Å; Q408-K412 PolarHBondContact O-N 3.13Å
409	I	87.4	Confident	84.7	Confident	22 Å²	22	34.8 Å²	34.8	11%	0.113	20%	0.198	C	C	.	.	H	α-helix	trans	-65.2	-43.9	174.5	-62.9	164.8	0	0	0	110	S405 D406 I407 V411 K412 V413 S507 K508	S405-I409 PolarHBondContact O-N 3.27Å; D406-I409 WeakPolarHBondContact O-CB 3.22Å; D406-I409 PolarHBondContact O-N 3.33Å; D406-I409 VanDerWaalsContact O-N 3.14Å; I407-I409 VanDerWaalsContact C-N 3.29Å; I407-I409 PolarHBondContact O-N 3.01Å; I409-V411 PolarHBondContact O-N 2.84Å; I409-K412 PolarHBondContact O-N 2.96Å; I409-V413 HydrophobicContact CG2-CG2 4.29Å; I409-V413 WeakPolarHBondContact O-CG2 3.5Å; I409-V413 PolarHBondContact O-N 3.19Å; I409-S507 WeakPolarHBondContact CG2-OG 3.36Å; I409-K508 HydrophobicContact CD1-CG 4.1Å
410	A	87.8	Confident	84.1	Confident	5 Å²	5	36 Å²	36	4%	0.041	21%	0.205	C	C	.	.	H	α-helix	trans	-61.8	-42	-179	0	0	0	0	0	113.2	M318 D406 I407 V413 A414 V503	M318-A410 HydrophobicContact CE-CB 3.7Å; M318-A410 HydrophobicContact SD-CB 3.8Å; D406-A410 PolarHBondContact O-N 3.5Å; I407-A410 PolarHBondContact O-N 3.12Å; I407-A410 VanDerWaalsContact O-N 3.15Å; A410-V413 PolarHBondContact O-N 3.28Å; A410-A414 WeakPolarHBondContact O-CB 3.24Å; A410-A414 PolarHBondContact O-N 3.41Å; A410-V503 HydrophobicContact CB-CB 3.8Å; A410-V503 HydrophobicContact CB-CG1 3.76Å; A410-V503 HydrophobicContact CB-CG2 4.21Å
411	V	84.1	Confident	83.6	Confident	11 Å²	11	41.8 Å²	41.8	7%	0.067	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-46.3	174.2	172.2	0	0	0	0	110.4	L315 L334 I407 I409 V413 A414 E415	L315-V411 HydrophobicContact CD2-CG2 3.82Å; L334-V411 HydrophobicContact CB-CG2 4.48Å; I407-V411 HydrophobicContact CG2-CG2 4.29Å; I407-V411 WeakPolarHBondContact O-CG2 3.23Å; I407-V411 PolarHBondContact O-N 2.86Å; I409-V411 PolarHBondContact O-N 2.84Å; V411-V413 VanDerWaalsContact C-N 3.31Å; V411-V413 PolarHBondContact O-N 2.84Å; V411-A414 PolarHBondContact O-N 3.16Å; V411-A414 VanDerWaalsContact O-N 3.14Å; V411-E415 HydrophobicContact CG1-CG 4.37Å; V411-E415 WeakPolarHBondContact O-CG 3.46Å; V411-E415 PolarHBondContact O-N 3.49Å
412	K	83.6	Confident	83.3	Confident	99 Å²	99	44.4 Å²	44.4	43%	0.43	25%	0.249	S	C	.	.	H	α-helix	trans	-61.4	-37.9	176.6	-72.6	176.9	178.5	178.8	0	112.8	Q408 I409 S416	Q408-K412 WeakPolarHBondContact O-CG 3.48Å; Q408-K412 PolarHBondContact O-N 3.13Å; I409-K412 PolarHBondContact O-N 2.96Å; K412-S416 PolarHBondContact O-N 2.76Å
413	V	84.7	Confident	83.2	Confident	14 Å²	14	43.8 Å²	43.8	9%	0.085	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-44.3	174.4	165.9	0	0	0	0	110.5	I409 A410 V411 E415 S416 A431 L432 V503	I409-V413 HydrophobicContact CG2-CG2 4.29Å; I409-V413 WeakPolarHBondContact O-CG2 3.5Å; I409-V413 PolarHBondContact O-N 3.19Å; A410-V413 PolarHBondContact O-N 3.28Å; V411-V413 VanDerWaalsContact C-N 3.31Å; V411-V413 PolarHBondContact O-N 2.84Å; V413-E415 VanDerWaalsContact C-N 3.34Å; V413-E415 PolarHBondContact O-N 2.93Å; V413-S416 WeakPolarHBondContact O-CB 3.23Å; V413-S416 PolarHBondContact O-N 2.88Å; V413-S416 PolarHBondContact O-OG 3.14Å; V413-A431 HydrophobicContact CG1-CB 3.89Å; V413-L432 HydrophobicContact CG1-CD2 4.33Å; V413-V503 HydrophobicContact CB-CG1 4.1Å; V413-V503 HydrophobicContact CG1-CG1 4.16Å; V413-V503 HydrophobicContact CG2-CG1 4.07Å
414	A	81.5	Confident	83	Confident	28 Å²	28	45.5 Å²	45.5	23%	0.231	26%	0.257	C	S	.	.	H	α-helix	trans	-66.7	-32.7	179.2	0	0	0	0	0	113.5	A410 V411	A410-A414 WeakPolarHBondContact O-CB 3.24Å; A410-A414 PolarHBondContact O-N 3.41Å; V411-A414 PolarHBondContact O-N 3.16Å; V411-A414 VanDerWaalsContact O-N 3.14Å
415	E	77.4	Confident	83	Confident	69 Å²	69	45.8 Å²	45.8	32%	0.322	26%	0.258	S	S	.	.	H	α-helix	trans	-81.5	-13.3	177.6	-69.5	175.2	157.6	0	0	113	N281 K336 V411 V413	N281-E415 PolarHBondContact ND2-OE1 3.02Å; N281-E415 PolarHBondContact OD1-OE1 3.26Å; K336-E415 IonicContact NZ-OE1 2.96Å; V411-E415 HydrophobicContact CG1-CG 4.37Å; V411-E415 WeakPolarHBondContact O-CG 3.46Å; V411-E415 PolarHBondContact O-N 3.49Å; V413-E415 VanDerWaalsContact C-N 3.34Å; V413-E415 PolarHBondContact O-N 2.93Å
416	S	74.7	Confident	83.1	Confident	34 Å²	34	44.4 Å²	44.4	24%	0.238	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	140	-177.4	73.3	0	0	0	0	112.9	K412 V413 A418 A431	K412-S416 PolarHBondContact O-N 2.76Å; V413-S416 WeakPolarHBondContact O-CB 3.23Å; V413-S416 PolarHBondContact O-N 2.88Å; V413-S416 PolarHBondContact O-OG 3.14Å; S416-A418 PolarHBondContact O-N 3.47Å; S416-A418 VanDerWaalsContact O-N 3.15Å; S416-A431 VanDerWaalsContact OG-CB 3.26Å; S416-A431 WeakPolarHBondContact OG-CB 3.38Å
417	N	69.4	Low	83.1	Confident	115 Å²	115	45 Å²	45	62%	0.615	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	35.6	178.1	-62	-33.6	0	0	0	114.5	D419 S420 R427	N417-D419 PolarHBondContact O-N 3.08Å; N417-D419 VanDerWaalsContact O-N 3.07Å; N417-S420 WeakPolarHBondContact O-CB 3.36Å; N417-S420 PolarHBondContact O-N 3.32Å; N417-R427 WeakPolarHBondContact O-CD 3.35Å; N417-R427 PolarHBondContact O-NH1 2.98Å
418	A	69.9	Low	83.2	Confident	60 Å²	60	46.2 Å²	46.2	50%	0.496	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.3	-176.2	0	0	0	0	0	114.6	S416 S420 R427	S416-A418 PolarHBondContact O-N 3.47Å; S416-A418 VanDerWaalsContact O-N 3.15Å; A418-S420 VanDerWaalsContact C-N 3.33Å; A418-S420 PolarHBondContact O-N 3.32Å; A418-R427 VanDerWaalsContact C-NH1 3.29Å; A418-R427 PolarHBondContact O-NH1 2.88Å
419	D	70.9	Confident	83.6	Confident	122 Å²	122	47.2 Å²	47.2	65%	0.652	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-4.3	-179.5	-56.4	-38.4	0	0	0	114.2	N417	N417-D419 PolarHBondContact O-N 3.08Å; N417-D419 VanDerWaalsContact O-N 3.07Å
420	S	78.9	Confident	83.9	Confident	49 Å²	49	51.3 Å²	51.3	34%	0.343	28%	0.278	S	S	.	.			trans	-75.6	141.9	178.9	175	0	0	0	0	111.9	N417 A418 E422 R427	N417-S420 WeakPolarHBondContact O-CB 3.36Å; N417-S420 PolarHBondContact O-N 3.32Å; A418-S420 VanDerWaalsContact C-N 3.33Å; A418-S420 PolarHBondContact O-N 3.32Å; S420-E422 PolarHBondContact O-N 3.15Å; S420-E422 VanDerWaalsContact OG-CB 3.26Å; S420-E422 WeakPolarHBondContact OG-CB 3.47Å; S420-E422 PolarHBondContact OG-N 3.36Å; S420-R427 PolarHBondContact O-NH1 3.02Å
421	D	83.9	Confident	84.1	Confident	123 Å²	123	52.4 Å²	52.4	66%	0.658	29%	0.287	S	S	*	.	S	Bend	trans	-69.6	-7.3	173.8	-70.5	-34.9	0	0	0	113.8	Q297	Q297-D421 PolarHBondContact N-O 3.18Å
422	E	87.4	Confident	84.5	Confident	55 Å²	55	51.9 Å²	51.9	26%	0.257	28%	0.284	S	S	.	.	S	Bend	trans	-65.8	150.4	178	-176.5	177	-160.3	0	0	112.5	S420 D426 R427 H430	S420-E422 PolarHBondContact O-N 3.15Å; S420-E422 VanDerWaalsContact OG-CB 3.26Å; S420-E422 WeakPolarHBondContact OG-CB 3.47Å; S420-E422 PolarHBondContact OG-N 3.36Å; E422-D426 HydrophobicContact CG-CB 3.75Å; E422-D426 WeakPolarHBondContact OE1-CB 3.26Å; E422-R427 HydrophobicContact CB-CG 3.76Å; E422-R427 HydrophobicContact CG-CG 3.8Å; E422-R427 WeakPolarHBondContact OE2-CG 3.33Å; E422-H430 IonicContact OE1-CD2 3.3Å; E422-H430 PolarHBondContact OE1-CD2 3.09Å; E422-H430 IonicContact OE1-NE2 3.61Å; E422-H430 PolarHBondContact OE1-NE2 3.22Å; E422-H430 IonicContact OE2-CD2 2.76Å
423	H	88.9	Confident	85.1	Confident	50 Å²	50	54 Å²	54	23%	0.231	30%	0.295	C	S	.	.			trans	-58.7	138.7	175.8	-171.8	-94	0	0	0	111.4	Q297 L425 D426 R427	Q297-H423 WeakPolarHBondContact O-CB 3.08Å; Q297-H423 PolarHBondContact O-CD2 3.29Å; H423-L425 VanDerWaalsContact C-N 3.32Å; H423-L425 PolarHBondContact ND1-N 3.22Å; H423-L425 PolarHBondContact O-N 3.48Å; H423-D426 HydrophobicContact CB-CB 4.41Å; H423-D426 WeakPolarHBondContact CB-OD2 3.32Å; H423-D426 IonicContact CG-OD2 3.44Å; H423-D426 IonicContact ND1-OD2 3.72Å; H423-D426 PolarHBondContact ND1-OD2 3.28Å; H423-D426 PolarHBondContact O-N 3.15Å; H423-D426 VanDerWaalsContact O-N 3.08Å; H423-R427 PolarHBondContact O-N 3.16Å; H423-R427 VanDerWaalsContact O-N 3.16Å
424	P	87.4	Confident	85.6	Confident	37 Å²	37	53.5 Å²	53.5	24%	0.24	29%	0.292	C	S	.	.	H	α-helix	trans	-56.8	-38.1	-174.4	-28.5	36.4	0	0	0	115.3	K296 R427 Q428	K296-P424 HydrophobicContact CD-CG 4.11Å; P424-R427 PolarHBondContact O-N 3.16Å; P424-Q428 VanDerWaalsContact O-CG 3.32Å; P424-Q428 WeakPolarHBondContact O-CG 3.3Å; P424-Q428 PolarHBondContact O-N 3.15Å
425	L	90.2	Very high	86.4	Confident	16 Å²	16	56.8 Å²	56.8	8%	0.084	30%	0.303	C	S	.	.	H	α-helix	trans	-66.1	-37.8	178.3	-64.1	178.6	0	0	0	111.9	Q306 L309 E310 H423 Q428 Y429	Q306-L425 HydrophobicContact CB-CD1 3.95Å; Q306-L425 HydrophobicContact CG-CD1 4.18Å; L309-L425 HydrophobicContact CB-CD2 3.99Å; L309-L425 HydrophobicContact CD1-CB 4.3Å; E310-L425 HydrophobicContact CG-CD1 3.95Å; E310-L425 HydrophobicContact CG-CD2 4.12Å; H423-L425 VanDerWaalsContact C-N 3.32Å; H423-L425 PolarHBondContact ND1-N 3.22Å; H423-L425 PolarHBondContact O-N 3.48Å; L425-Q428 PolarHBondContact O-N 2.79Å; L425-Y429 WeakPolarHBondContact O-CB 3.45Å; L425-Y429 PolarHBondContact O-N 3.02Å
426	D	92.3	Very high	87.4	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.011	29%	0.289	C	S	.	.	H	α-helix	trans	-68.2	-41.4	-179.4	-55.2	-137	0	0	0	109.8	S299 T300 L301 E422 H423 Q428 Y429 H430	S299-D426 WeakPolarHBondContact CA-OD2 3.03Å; S299-D426 WeakPolarHBondContact CB-OD2 3.35Å; S299-D426 VanDerWaalsContact OG-CG 3.31Å; S299-D426 PolarHBondContact OG-OD1 3.32Å; S299-D426 PolarHBondContact OG-OD2 2.96Å; T300-D426 PolarHBondContact N-OD1 2.99Å; T300-D426 PolarHBondContact OG1-OD1 2.88Å; L301-D426 HydrophobicContact CD1-CB 4.47Å; L301-D426 HydrophobicContact CG-CB 4.44Å; E422-D426 HydrophobicContact CG-CB 3.75Å; E422-D426 WeakPolarHBondContact OE1-CB 3.26Å; H423-D426 HydrophobicContact CB-CB 4.41Å; H423-D426 WeakPolarHBondContact CB-OD2 3.32Å; H423-D426 IonicContact CG-OD2 3.44Å; H423-D426 IonicContact ND1-OD2 3.72Å; H423-D426 PolarHBondContact ND1-OD2 3.28Å; H423-D426 PolarHBondContact O-N 3.15Å; H423-D426 VanDerWaalsContact O-N 3.08Å; D426-Q428 PolarHBondContact O-N 3.15Å; D426-Y429 WeakPolarHBondContact O-CB 3.45Å; D426-Y429 PolarHBondContact O-N 3.09Å; D426-H430 PolarHBondContact O-CD2 3.27Å; D426-H430 VanDerWaalsContact O-CD2 3.22Å; D426-H430 PolarHBondContact O-N 2.7Å
427	R	90.3	Very high	88.5	Confident	22 Å²	22	56.8 Å²	56.8	8%	0.083	30%	0.299	C	S	.	.	H	α-helix	trans	-59.8	-47.4	171.9	-61.3	-174.6	-53	-175.6	15.1	112.1	N417 A418 S420 E422 H423 P424 Y429 H430 A431	N417-R427 WeakPolarHBondContact O-CD 3.35Å; N417-R427 PolarHBondContact O-NH1 2.98Å; A418-R427 VanDerWaalsContact C-NH1 3.29Å; A418-R427 PolarHBondContact O-NH1 2.88Å; S420-R427 PolarHBondContact O-NH1 3.02Å; E422-R427 HydrophobicContact CB-CG 3.76Å; E422-R427 HydrophobicContact CG-CG 3.8Å; E422-R427 WeakPolarHBondContact OE2-CG 3.33Å; H423-R427 PolarHBondContact O-N 3.16Å; H423-R427 VanDerWaalsContact O-N 3.16Å; P424-R427 PolarHBondContact O-N 3.16Å; R427-Y429 VanDerWaalsContact C-N 3.34Å; R427-Y429 PolarHBondContact O-N 3.18Å; R427-H430 PolarHBondContact O-N 3.21Å; R427-A431 WeakPolarHBondContact O-CB 3.37Å; R427-A431 PolarHBondContact O-N 3.34Å
428	Q	90.8	Very high	89.8	Confident	27 Å²	27	53.4 Å²	53.4	13%	0.126	28%	0.284	C	S	.	.	H	α-helix	trans	-60.5	-44.8	177.1	-74.5	172.1	-12.3	0	0	111	P424 L425 D426 A431 L432	P424-Q428 VanDerWaalsContact O-CG 3.32Å; P424-Q428 WeakPolarHBondContact O-CG 3.3Å; P424-Q428 PolarHBondContact O-N 3.15Å; L425-Q428 PolarHBondContact O-N 2.79Å; D426-Q428 PolarHBondContact O-N 3.15Å; Q428-A431 PolarHBondContact O-N 3.22Å; Q428-L432 WeakPolarHBondContact O-CG 3.35Å; Q428-L432 PolarHBondContact O-N 2.99Å; Q428-L432 VanDerWaalsContact O-N 3.08Å
429	Y	94.6	Very high	91.1	Very high	32 Å²	32	51.8 Å²	51.8	13%	0.125	27%	0.266	C	S	.	.	H	α-helix	trans	-58.3	-48.4	176.1	179.3	-109.2	0	0	0	112.3	L301 L305 L309 L425 D426 R427 A431 L432 L436	L301-Y429 HydrophobicContact CD1-CD1 4.46Å; L301-Y429 HydrophobicContact CD1-CG 4.12Å; L301-Y429 HydrophobicContact CD2-CD1 3.71Å; L301-Y429 HydrophobicContact CD2-CE1 4.05Å; L301-Y429 HydrophobicContact CD2-CG 4.17Å; L305-Y429 HydrophobicContact CD1-CD2 4.15Å; L305-Y429 HydrophobicContact CD1-CE2 3.93Å; L305-Y429 HydrophobicContact CD2-CD2 3.94Å; L305-Y429 HydrophobicContact CD2-CE1 4.39Å; L305-Y429 HydrophobicContact CD2-CE2 3.56Å; L305-Y429 HydrophobicContact CD2-CG 4.48Å; L305-Y429 HydrophobicContact CG-CD2 4.34Å; L305-Y429 HydrophobicContact CG-CE2 4.24Å; L309-Y429 HydrophobicContact CD1-CD2 4.24Å; L309-Y429 HydrophobicContact CD1-CG 4.37Å; L309-Y429 HydrophobicContact CD2-CD2 4.43Å; L425-Y429 WeakPolarHBondContact O-CB 3.45Å; L425-Y429 PolarHBondContact O-N 3.02Å; D426-Y429 WeakPolarHBondContact O-CB 3.45Å; D426-Y429 PolarHBondContact O-N 3.09Å; R427-Y429 VanDerWaalsContact C-N 3.34Å; R427-Y429 PolarHBondContact O-N 3.18Å; Y429-A431 VanDerWaalsContact C-N 3.3Å; Y429-A431 PolarHBondContact O-N 3.05Å; Y429-L432 VanDerWaalsContact O-CB 3.31Å; Y429-L432 WeakPolarHBondContact O-CB 3.41Å; Y429-L432 PolarHBondContact O-N 3.35Å; Y429-L432 VanDerWaalsContact O-N 3.1Å; Y429-L436 HydrophobicContact CE2-CB 4.06Å; Y429-L436 HydrophobicContact CE2-CD1 4.31Å; Y429-L436 HydrophobicContact CE2-CG 4.28Å; Y429-L436 PolarHBondContact OH-N 3.43Å; Y429-L436 VanDerWaalsContact OH-N 3.08Å; Y429-L436 PolarHBondContact OH-O 2.81Å
430	H	92.9	Very high	92.4	Very high	107 Å²	107	50.8 Å²	50.8	50%	0.495	26%	0.261	S	S	.	.	H	α-helix	trans	-62.3	-38	176.8	-72.1	-43.3	0	0	0	112.6	E422 D426 R427 L432 Q433	E422-H430 IonicContact OE1-CD2 3.3Å; E422-H430 PolarHBondContact OE1-CD2 3.09Å; E422-H430 IonicContact OE1-NE2 3.61Å; E422-H430 PolarHBondContact OE1-NE2 3.22Å; E422-H430 IonicContact OE2-CD2 2.76Å; D426-H430 PolarHBondContact O-CD2 3.27Å; D426-H430 VanDerWaalsContact O-CD2 3.22Å; D426-H430 PolarHBondContact O-N 2.7Å; R427-H430 PolarHBondContact O-N 3.21Å; H430-L432 PolarHBondContact O-N 3.44Å; H430-Q433 PolarHBondContact O-N 3.07Å
431	A	92.1	Very high	93.1	Very high	28 Å²	28	53.6 Å²	53.6	23%	0.231	27%	0.269	C	S	.	.	H	α-helix	trans	-67.9	-21	176	0	0	0	0	0	113.6	V413 S416 R427 Q428 Y429 Q433	V413-A431 HydrophobicContact CG1-CB 3.89Å; S416-A431 VanDerWaalsContact OG-CB 3.26Å; S416-A431 WeakPolarHBondContact OG-CB 3.38Å; R427-A431 WeakPolarHBondContact O-CB 3.37Å; R427-A431 PolarHBondContact O-N 3.34Å; Q428-A431 PolarHBondContact O-N 3.22Å; Y429-A431 VanDerWaalsContact C-N 3.3Å; Y429-A431 PolarHBondContact O-N 3.05Å; A431-Q433 PolarHBondContact O-N 3.24Å
432	L	93.4	Very high	93.7	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.7	-24.3	169.3	-62.5	177.6	0	0	0	112.3	L309 V413 Q428 Y429 H430 C434 V503 L506 S507	L309-L432 HydrophobicContact CD2-CD1 3.8Å; V413-L432 HydrophobicContact CG1-CD2 4.33Å; Q428-L432 WeakPolarHBondContact O-CG 3.35Å; Q428-L432 PolarHBondContact O-N 2.99Å; Q428-L432 VanDerWaalsContact O-N 3.08Å; Y429-L432 VanDerWaalsContact O-CB 3.31Å; Y429-L432 WeakPolarHBondContact O-CB 3.41Å; Y429-L432 PolarHBondContact O-N 3.35Å; Y429-L432 VanDerWaalsContact O-N 3.1Å; H430-L432 PolarHBondContact O-N 3.44Å; L432-C434 HydrophobicContact CB-CB 4.18Å; L432-C434 PolarHBondContact O-N 2.65Å; L432-C434 VanDerWaalsContact O-N 3.12Å; L432-V503 HydrophobicContact CD2-CB 4.49Å; L432-V503 HydrophobicContact CD2-CG1 3.83Å; L432-L506 HydrophobicContact CD1-CD1 4.44Å; L432-L506 HydrophobicContact CD2-CB 4.46Å; L432-S507 WeakPolarHBondContact O-CA 3.42Å
433	Q	94.5	Very high	94.2	Very high	143 Å²	143	50 Å²	50	67%	0.668	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	38.1	-174.9	-55.3	-172.2	-57.7	0	0	112.6	H430 A431 G477	H430-Q433 PolarHBondContact O-N 3.07Å; A431-Q433 PolarHBondContact O-N 3.24Å; Q433-G477 PolarHBondContact O-N 3.28Å
434	C	97.1	Very high	94.6	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.034	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	113.9	-173.7	-170.9	0	0	0	0	109.1	L432 L436 R476 L506	L432-C434 HydrophobicContact CB-CB 4.18Å; L432-C434 PolarHBondContact O-N 2.65Å; L432-C434 VanDerWaalsContact O-N 3.12Å; C434-L436 PolarHBondContact O-N 2.65Å; C434-R476 HydrophobicContact CB-CB 4.45Å; C434-R476 HydrophobicContact CB-CG 4.14Å; C434-L506 WeakPolarHBondContact CB-O 3.34Å
435	Q	97.7	Very high	95.1	Very high	97 Å²	97	54.7 Å²	54.7	45%	0.453	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	125.2	178.4	-175.1	170.9	-3.8	0	0	109	E437 D475	Q435-E437 HydrophobicContact CG-CG 4.14Å; Q435-E437 PolarHBondContact NE2-OE1 3Å; Q435-D475 HydrophobicContact CB-CB 4.34Å; Q435-D475 PolarHBondContact N-O 2.85Å; Q435-D475 PolarHBondContact O-N 2.9Å
436	L	98.1	Very high	95.4	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.1	176.7	-60	171.9	0	0	0	108.9	L305 L308 Y429 C434 S473 V474 L506	L305-L436 HydrophobicContact CD1-CB 3.83Å; L305-L436 HydrophobicContact CD1-CD1 3.91Å; L308-L436 HydrophobicContact CD2-CD1 3.92Å; Y429-L436 HydrophobicContact CE2-CB 4.06Å; Y429-L436 HydrophobicContact CE2-CD1 4.31Å; Y429-L436 HydrophobicContact CE2-CG 4.28Å; Y429-L436 PolarHBondContact OH-N 3.43Å; Y429-L436 VanDerWaalsContact OH-N 3.08Å; Y429-L436 PolarHBondContact OH-O 2.81Å; C434-L436 PolarHBondContact O-N 2.65Å; L436-S473 WeakPolarHBondContact CA-O 3.48Å; L436-V474 HydrophobicContact CD2-CB 4.26Å; L436-V474 HydrophobicContact CD2-CG1 4.1Å; L436-V474 HydrophobicContact CD2-CG2 3.77Å; L436-L506 HydrophobicContact CD1-CD1 4.22Å; L436-L506 HydrophobicContact CD2-CD2 4.3Å
437	E	97.2	Very high	95.7	Very high	99 Å²	99	59.1 Å²	59.1	46%	0.463	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.5	177.5	-49	-177.4	150.8	0	0	110.5	Q435 L439 F472 S473	Q435-E437 HydrophobicContact CG-CG 4.14Å; Q435-E437 PolarHBondContact NE2-OE1 3Å; E437-L439 PolarHBondContact O-N 3.39Å; E437-F472 CarbonylContact O-C 3.47Å; E437-F472 VanDerWaalsContact O-CA 3.22Å; E437-F472 WeakPolarHBondContact O-CA 3.49Å; E437-S473 WeakPolarHBondContact CB-OG 3.35Å; E437-S473 PolarHBondContact N-O 3.02Å; E437-S473 PolarHBondContact O-N 3.1Å; E437-S473 PolarHBondContact O-OG 2.9Å
438	P	97.8	Very high	96.1	Very high	44 Å²	44	58.6 Å²	58.6	29%	0.286	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	130.3	178	27.2	-32.8	0	0	0	110.6	D302 K304 F472	D302-P438 HydrophobicContact CB-CG 4.22Å; K304-P438 HydrophobicContact CB-CB 4.38Å; K304-P438 HydrophobicContact CD-CB 3.83Å; P438-F472 HydrophobicContact CB-CD1 4.07Å; P438-F472 HydrophobicContact CB-CE1 4.03Å
439	L	97.7	Very high	96.5	Very high	25 Å²	25	57.4 Å²	57.4	13%	0.131	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-81.4	142.9	174.8	-61.7	-173.1	0	0	0	111.3	E437 Q441 E445 F446 I449 V471 Y638	E437-L439 PolarHBondContact O-N 3.39Å; L439-Q441 PolarHBondContact O-N 3.26Å; L439-E445 HydrophobicContact CD1-CB 4.23Å; L439-F446 HydrophobicContact CB-CD2 4.34Å; L439-I449 HydrophobicContact CD1-CD1 4.35Å; L439-V471 HydrophobicContact CB-CB 4.47Å; L439-V471 HydrophobicContact CD1-CB 4.31Å; L439-V471 HydrophobicContact CD1-CG1 3.79Å; L439-V471 HydrophobicContact CG-CG1 4.4Å; L439-V471 PolarHBondContact N-O 3.37Å; L439-Y638 HydrophobicContact CD1-CD1 3.92Å; L439-Y638 HydrophobicContact CD1-CE1 3.9Å
440	D	96.5	Very high	96.7	Very high	101 Å²	101	59.4 Å²	59.4	54%	0.54	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-66.9	129.8	168.4	-173.3	-27.6	0	0	0	109.7	S442 S443 F446	D440-S442 PolarHBondContact O-N 3.45Å; D440-S442 WeakPolarHBondContact OD1-CB 3.26Å; D440-S442 PolarHBondContact OD1-N 3.25Å; D440-S442 PolarHBondContact OD1-OG 2.82Å; D440-S442 PolarHBondContact OD2-OG 2.83Å; D440-S443 WeakPolarHBondContact O-CB 3.21Å; D440-S443 PolarHBondContact O-N 3.47Å; D440-S443 PolarHBondContact O-OG 2.92Å; D440-F446 WeakPolarHBondContact O-CB 3.37Å
441	Q	95.5	Very high	96.9	Very high	109 Å²	109	62 Å²	62	51%	0.509	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.3	178.5	-64.3	-177.6	-6	0	0	112.9	L439 S443 F446	L439-Q441 PolarHBondContact O-N 3.26Å; Q441-S443 VanDerWaalsContact C-N 3.32Å; Q441-F446 HydrophobicContact CB-CD1 4.34Å; Q441-F446 HydrophobicContact CB-CE1 4.22Å; Q441-F446 HydrophobicContact CB-CE2 4.43Å; Q441-F446 HydrophobicContact CB-CZ 4.27Å; Q441-F446 HydrophobicContact CG-CD2 4.33Å; Q441-F446 HydrophobicContact CG-CE1 4.21Å; Q441-F446 HydrophobicContact CG-CE2 3.81Å; Q441-F446 HydrophobicContact CG-CZ 3.76Å
442	S	96.3	Very high	97.2	Very high	69 Å²	69	60.6 Å²	60.6	48%	0.483	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-16.1	177	74	0	0	0	0	113.4	D440 K447	D440-S442 PolarHBondContact O-N 3.45Å; D440-S442 WeakPolarHBondContact OD1-CB 3.26Å; D440-S442 PolarHBondContact OD1-N 3.25Å; D440-S442 PolarHBondContact OD1-OG 2.82Å; D440-S442 PolarHBondContact OD2-OG 2.83Å; S442-K447 WeakPolarHBondContact O-CE 3.24Å; S442-K447 PolarHBondContact O-NZ 3.44Å
443	S	97.8	Very high	97.5	Very high	32 Å²	32	60.7 Å²	60.7	22%	0.224	30%	0.295	C	S	.	.	S	Bend	trans	-63.5	153.9	-176.5	72.8	0	0	0	0	112.7	D440 Q441 E445 F446 K447	D440-S443 WeakPolarHBondContact O-CB 3.21Å; D440-S443 PolarHBondContact O-N 3.47Å; D440-S443 PolarHBondContact O-OG 2.92Å; Q441-S443 VanDerWaalsContact C-N 3.32Å; S443-E445 VanDerWaalsContact C-N 3.34Å; S443-F446 VanDerWaalsContact OG-CB 3.26Å; S443-F446 WeakPolarHBondContact OG-CB 3.17Å; S443-F446 PolarHBondContact OG-N 3Å; S443-K447 WeakPolarHBondContact O-CG 3.37Å; S443-K447 PolarHBondContact O-N 2.97Å
444	H	96.8	Very high	97.7	Very high	133 Å²	133	58.2 Å²	58.2	62%	0.616	28%	0.284	S	S	*	.	H	α-helix	trans	-61.4	-43.9	175.5	177.8	63.9	0	0	0	111.4	F446 K447 V448	H444-F446 PolarHBondContact O-N 2.93Å; H444-K447 PolarHBondContact O-N 3Å; H444-V448 WeakPolarHBondContact O-CG2 3.37Å; H444-V448 PolarHBondContact O-N 3.1Å
445	E	96.9	Very high	97.7	Very high	53 Å²	53	59.6 Å²	59.6	25%	0.248	29%	0.293	C	S	.	.	H	α-helix	trans	-60.6	-47.2	-178.8	-54.5	-159.3	150.7	0	0	111.7	L439 S443 K447 V448 I449 L598 N599 Y638	L439-E445 HydrophobicContact CD1-CB 4.23Å; S443-E445 VanDerWaalsContact C-N 3.34Å; E445-K447 PolarHBondContact O-N 3Å; E445-V448 PolarHBondContact O-N 3.31Å; E445-I449 VanDerWaalsContact O-CG1 3.3Å; E445-I449 WeakPolarHBondContact O-CG1 3.43Å; E445-I449 PolarHBondContact O-N 2.96Å; E445-L598 HydrophobicContact CB-CD1 4.49Å; E445-L598 HydrophobicContact CG-CD1 4.12Å; E445-N599 PolarHBondContact OE1-ND2 2.92Å; E445-Y638 PolarHBondContact OE1-OH 3.41Å; E445-Y638 WeakPolarHBondContact OE2-CE1 3.44Å; E445-Y638 PolarHBondContact OE2-OH 2.89Å; E445-Y638 VanDerWaalsContact OE2-OH 3.06Å
446	F	98.3	Very high	97.8	Very high	6 Å²	6	55 Å²	55	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-57.7	-47.6	177.4	-172.5	-76.5	0	0	0	111.5	L439 D440 Q441 S443 H444 V448 I449 E450 V468 V471	L439-F446 HydrophobicContact CB-CD2 4.34Å; D440-F446 WeakPolarHBondContact O-CB 3.37Å; Q441-F446 HydrophobicContact CB-CD1 4.34Å; Q441-F446 HydrophobicContact CB-CE1 4.22Å; Q441-F446 HydrophobicContact CB-CE2 4.43Å; Q441-F446 HydrophobicContact CB-CZ 4.27Å; Q441-F446 HydrophobicContact CG-CD2 4.33Å; Q441-F446 HydrophobicContact CG-CE1 4.21Å; Q441-F446 HydrophobicContact CG-CE2 3.81Å; Q441-F446 HydrophobicContact CG-CZ 3.76Å; S443-F446 VanDerWaalsContact OG-CB 3.26Å; S443-F446 WeakPolarHBondContact OG-CB 3.17Å; S443-F446 PolarHBondContact OG-N 3Å; H444-F446 PolarHBondContact O-N 2.93Å; F446-V448 VanDerWaalsContact C-N 3.33Å; F446-V448 PolarHBondContact O-N 3.31Å; F446-I449 PolarHBondContact O-N 3.07Å; F446-E450 HydrophobicContact CD1-CB 4.44Å; F446-E450 HydrophobicContact CE1-CB 4.31Å; F446-E450 WeakPolarHBondContact O-CB 3.27Å; F446-E450 PolarHBondContact O-N 2.94Å; F446-V468 HydrophobicContact CE1-CG1 4.41Å; F446-V468 HydrophobicContact CE2-CG1 4.08Å; F446-V468 HydrophobicContact CZ-CB 4.4Å; F446-V468 HydrophobicContact CZ-CG1 3.62Å; F446-V471 HydrophobicContact CD2-CB 3.82Å; F446-V471 HydrophobicContact CD2-CG2 3.62Å; F446-V471 HydrophobicContact CE2-CB 3.97Å; F446-V471 HydrophobicContact CE2-CG2 3.48Å; F446-V471 VanDerWaalsContact CE2-CG2 3.48Å; F446-V471 HydrophobicContact CG-CG2 4.43Å; F446-V471 HydrophobicContact CZ-CG2 4.18Å
447	K	98.2	Very high	97.8	Very high	105 Å²	105	57 Å²	57	46%	0.457	28%	0.281	S	S	.	.	H	α-helix	trans	-63.7	-36.1	-179.9	-72.5	169.2	177.6	159.5	0	113	S442 S443 H444 E445 R451	S442-K447 WeakPolarHBondContact O-CE 3.24Å; S442-K447 PolarHBondContact O-NZ 3.44Å; S443-K447 WeakPolarHBondContact O-CG 3.37Å; S443-K447 PolarHBondContact O-N 2.97Å; H444-K447 PolarHBondContact O-N 3Å; E445-K447 PolarHBondContact O-N 3Å; K447-R451 VanDerWaalsContact O-CB 3.26Å; K447-R451 WeakPolarHBondContact O-CB 3.38Å; K447-R451 PolarHBondContact O-N 3.43Å
448	V	98.4	Very high	97.8	Very high	12 Å²	12	52.2 Å²	52.2	7%	0.073	26%	0.259	C	S	.	.	H	α-helix	trans	-66.3	-47.9	174.7	170.1	0	0	0	0	109.7	H444 E445 F446 R451 Y452 V596 L598 M605	H444-V448 WeakPolarHBondContact O-CG2 3.37Å; H444-V448 PolarHBondContact O-N 3.1Å; E445-V448 PolarHBondContact O-N 3.31Å; F446-V448 VanDerWaalsContact C-N 3.33Å; F446-V448 PolarHBondContact O-N 3.31Å; V448-R451 PolarHBondContact O-N 2.72Å; V448-Y452 WeakPolarHBondContact O-CB 3.44Å; V448-Y452 PolarHBondContact O-N 2.91Å; V448-V596 HydrophobicContact CG1-CG2 4.18Å; V448-L598 HydrophobicContact CG1-CD2 4.16Å; V448-M605 HydrophobicContact CB-CE 4.44Å; V448-M605 HydrophobicContact CG1-CE 3.48Å; V448-M605 VanDerWaalsContact CG1-CE 3.48Å; V448-M605 WeakPolarHBondContact O-CE 3.44Å
449	I	98.6	Very high	97.6	Very high	1 Å²	1	55 Å²	55	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-44.7	-179.8	-69.3	165.6	0	0	0	111.5	L439 E445 F446 Y452 L453 V471 L554 L598 Y638 L640	L439-I449 HydrophobicContact CD1-CD1 4.35Å; E445-I449 VanDerWaalsContact O-CG1 3.3Å; E445-I449 WeakPolarHBondContact O-CG1 3.43Å; E445-I449 PolarHBondContact O-N 2.96Å; F446-I449 PolarHBondContact O-N 3.07Å; I449-Y452 WeakPolarHBondContact O-CB 3.47Å; I449-Y452 PolarHBondContact O-N 2.91Å; I449-L453 PolarHBondContact O-N 2.88Å; I449-V471 HydrophobicContact CD1-CG1 3.87Å; I449-V471 HydrophobicContact CG2-CG1 4.31Å; I449-V471 HydrophobicContact CG2-CG2 4.23Å; I449-L554 HydrophobicContact CB-CD1 4.5Å; I449-L554 HydrophobicContact CG1-CD1 4.08Å; I449-L554 HydrophobicContact CG2-CD1 3.89Å; I449-L598 HydrophobicContact CG1-CD2 4.35Å; I449-Y638 HydrophobicContact CD1-CD1 3.52Å; I449-Y638 HydrophobicContact CD1-CD2 3.68Å; I449-Y638 HydrophobicContact CD1-CE1 3.8Å; I449-Y638 HydrophobicContact CD1-CE2 3.96Å; I449-Y638 HydrophobicContact CD1-CG 3.44Å; I449-Y638 VanDerWaalsContact CD1-CG 3.44Å; I449-Y638 HydrophobicContact CG1-CD2 4.42Å; I449-L640 HydrophobicContact CG2-CD1 3.97Å; I449-L640 HydrophobicContact CG2-CD2 3.55Å; I449-L640 HydrophobicContact CG2-CG 3.89Å
450	E	98.4	Very high	97.5	Very high	75 Å²	75	57.8 Å²	57.8	35%	0.35	30%	0.295	S	S	.	.	H	α-helix	trans	-61.2	-45.9	176	-178.3	178.5	-124.9	0	0	111.1	F446 Y452 L453 Q454 V468	F446-E450 HydrophobicContact CD1-CB 4.44Å; F446-E450 HydrophobicContact CE1-CB 4.31Å; F446-E450 WeakPolarHBondContact O-CB 3.27Å; F446-E450 PolarHBondContact O-N 2.94Å; E450-Y452 VanDerWaalsContact C-N 3.29Å; E450-Y452 PolarHBondContact O-N 3.4Å; E450-L453 WeakPolarHBondContact O-CB 3.4Å; E450-L453 PolarHBondContact O-N 2.79Å; E450-Q454 WeakPolarHBondContact O-CG 3.47Å; E450-Q454 PolarHBondContact O-N 3.3Å; E450-V468 HydrophobicContact CB-CG2 4.33Å; E450-V468 HydrophobicContact CG-CG2 4.14Å
451	R	98.4	Very high	97.4	Very high	160 Å²	160	54.3 Å²	54.3	60%	0.604	28%	0.275	S	S	*	.	H	α-helix	trans	-61.2	-39.3	174.5	-173.8	-174.1	-59.1	177.1	1.1	111.7	K447 V448 Q454 S455 M605	K447-R451 VanDerWaalsContact O-CB 3.26Å; K447-R451 WeakPolarHBondContact O-CB 3.38Å; K447-R451 PolarHBondContact O-N 3.43Å; V448-R451 PolarHBondContact O-N 2.72Å; R451-Q454 PolarHBondContact O-N 2.8Å; R451-S455 WeakPolarHBondContact O-CB 3.35Å; R451-S455 PolarHBondContact O-N 3.3Å; R451-S455 PolarHBondContact O-OG 3Å; R451-M605 HydrophobicContact CG-SD 4.32Å
452	Y	98.8	Very high	97.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-45.2	178.1	-174.1	-153.8	0	0	0	110.7	V448 I449 E450 Q454 S455 T456 L492 W494 D532 L554 V603 P604 M605	V448-Y452 WeakPolarHBondContact O-CB 3.44Å; V448-Y452 PolarHBondContact O-N 2.91Å; I449-Y452 WeakPolarHBondContact O-CB 3.47Å; I449-Y452 PolarHBondContact O-N 2.91Å; E450-Y452 VanDerWaalsContact C-N 3.29Å; E450-Y452 PolarHBondContact O-N 3.4Å; Y452-Q454 PolarHBondContact O-N 2.81Å; Y452-S455 PolarHBondContact O-OG 3.3Å; Y452-T456 HydrophobicContact CD2-CG2 3.69Å; Y452-T456 HydrophobicContact CE2-CG2 3.55Å; Y452-T456 WeakPolarHBondContact O-CB 3.28Å; Y452-T456 PolarHBondContact O-N 3.03Å; Y452-T456 PolarHBondContact O-OG1 3.09Å; Y452-L492 PolarHBondContact OH-O 3.46Å; Y452-W494 AromaticContact CD1-CE2 3.69Å; Y452-W494 HydrophobicContact CD1-CH2 4.27Å; Y452-W494 AromaticContact CD1-CZ2 3.37Å; Y452-W494 HydrophobicContact CD1-CZ2 3.37Å; Y452-W494 AromaticContact CD1-NE1 3.77Å; Y452-W494 HydrophobicContact CD2-CZ2 4.35Å; Y452-W494 HydrophobicContact CE1-CD2 4.44Å; Y452-W494 AromaticContact CE1-CE2 3.57Å; Y452-W494 AromaticContact CE1-CZ2 3.8Å; Y452-W494 HydrophobicContact CE1-CZ2 3.8Å; Y452-W494 AromaticContact CE1-NE1 3.29Å; Y452-W494 VanDerWaalsContact CE1-NE1 3.29Å; Y452-W494 AromaticContact CE2-NE1 3.54Å; Y452-W494 AromaticContact CG-CZ2 3.68Å; Y452-W494 HydrophobicContact CG-CZ2 3.68Å; Y452-W494 AromaticContact CZ-CD1 3.73Å; Y452-W494 AromaticContact CZ-CE2 3.91Å; Y452-W494 AromaticContact CZ-NE1 3.13Å; Y452-W494 PolarHBondContact OH-NE1 2.98Å; Y452-D532 WeakPolarHBondContact CE2-O 3.49Å; Y452-D532 PolarHBondContact OH-O 2.95Å; Y452-L554 HydrophobicContact CD1-CD1 4.29Å; Y452-L554 HydrophobicContact CD1-CD2 3.99Å; Y452-L554 HydrophobicContact CE1-CD2 3.67Å; Y452-V603 HydrophobicContact CD1-CG1 3.46Å; Y452-V603 VanDerWaalsContact CD1-CG1 3.46Å; Y452-V603 HydrophobicContact CD2-CG1 4.08Å; Y452-V603 HydrophobicContact CE1-CG1 3.85Å; Y452-V603 HydrophobicContact CE2-CG1 4.45Å; Y452-V603 HydrophobicContact CG-CG1 3.61Å; Y452-P604 HydrophobicContact CE2-CG 4.2Å; Y452-P604 WeakPolarHBondContact CE2-O 3.32Å; Y452-P604 WeakPolarHBondContact OH-CG 3.3Å; Y452-M605 VanDerWaalsContact CA-SD 3.59Å; Y452-M605 HydrophobicContact CD2-SD 4.17Å; Y452-M605 HydrophobicContact CG-SD 4.28Å
453	L	98.6	Very high	97.3	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-56.5	-51.4	176.2	-174.6	80.1	0	0	0	111.2	I449 E450 H457 M466 V468 W494 S534 L552 L640 I642	I449-L453 PolarHBondContact O-N 2.88Å; E450-L453 WeakPolarHBondContact O-CB 3.4Å; E450-L453 PolarHBondContact O-N 2.79Å; L453-H457 PolarHBondContact O-N 2.96Å; L453-M466 HydrophobicContact CD1-CE 4.07Å; L453-M466 HydrophobicContact CD1-SD 4.24Å; L453-M466 HydrophobicContact CD2-CB 4.12Å; L453-M466 HydrophobicContact CG-CE 4.38Å; L453-V468 HydrophobicContact CD2-CG2 3.44Å; L453-V468 VanDerWaalsContact CD2-CG2 3.44Å; L453-W494 HydrophobicContact CB-CH2 3.99Å; L453-W494 HydrophobicContact CB-CZ2 4.18Å; L453-W494 HydrophobicContact CD1-CH2 3.84Å; L453-W494 HydrophobicContact CD1-CZ2 4.28Å; L453-W494 HydrophobicContact CD1-CZ3 4.11Å; L453-S534 PolarHBondContact O-OG 2.97Å; L453-L552 HydrophobicContact CD1-CD1 3.7Å; L453-L640 HydrophobicContact CD1-CD2 4.39Å; L453-I642 HydrophobicContact CD2-CG2 4.14Å
454	Q	98.2	Very high	97.2	Very high	92 Å²	92	52.6 Å²	52.6	43%	0.43	27%	0.269	S	S	.	.	H	α-helix	trans	-71	-45.2	-174.8	-63.2	-58.1	-30.7	0	0	112.7	E450 R451 Y452 T456 H457 M466	E450-Q454 WeakPolarHBondContact O-CG 3.47Å; E450-Q454 PolarHBondContact O-N 3.3Å; R451-Q454 PolarHBondContact O-N 2.8Å; Y452-Q454 PolarHBondContact O-N 2.81Å; Q454-T456 PolarHBondContact O-N 3.41Å; Q454-H457 PolarHBondContact O-N 2.77Å; Q454-M466 PolarHBondContact NE2-O 2.81Å
455	S	98.2	Very high	97.2	Very high	34 Å²	34	50.2 Å²	50.2	24%	0.238	26%	0.264	C	S	.	.	H	α-helix	trans	-68.5	-21.9	-176.7	63.3	0	0	0	0	113.2	R451 Y452 G606 P607	R451-S455 WeakPolarHBondContact O-CB 3.35Å; R451-S455 PolarHBondContact O-N 3.3Å; R451-S455 PolarHBondContact O-OG 3Å; Y452-S455 PolarHBondContact O-OG 3.3Å; S455-G606 WeakPolarHBondContact O-CA 3.29Å; S455-G606 PolarHBondContact OG-N 3Å; S455-G606 VanDerWaalsContact OG-N 3.14Å; S455-P607 WeakPolarHBondContact O-CA 3.25Å
456	T	98.5	Very high	97.3	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	18.7	-179.3	66	0	0	0	0	114	Y452 Q454 A458 M533 S534 P590	Y452-T456 HydrophobicContact CD2-CG2 3.69Å; Y452-T456 HydrophobicContact CE2-CG2 3.55Å; Y452-T456 WeakPolarHBondContact O-CB 3.28Å; Y452-T456 PolarHBondContact O-N 3.03Å; Y452-T456 PolarHBondContact O-OG1 3.09Å; Q454-T456 PolarHBondContact O-N 3.41Å; T456-A458 PolarHBondContact O-N 2.61Å; T456-M533 HydrophobicContact CG2-SD 4.47Å; T456-M533 VanDerWaalsContact O-CE 3.32Å; T456-M533 WeakPolarHBondContact O-CE 3.41Å; T456-S534 VanDerWaalsContact C-OG 3.26Å; T456-S534 PolarHBondContact O-N 2.75Å; T456-S534 VanDerWaalsContact O-N 3.08Å; T456-S534 PolarHBondContact O-OG 2.99Å; T456-S534 WeakPolarHBondContact OG1-CB 3.39Å; T456-S534 PolarHBondContact OG1-N 2.72Å; T456-S534 PolarHBondContact OG1-OG 3.23Å; T456-P590 HydrophobicContact CG2-CB 4.4Å; T456-P590 HydrophobicContact CG2-CG 4.08Å
457	H	98.4	Very high	97.2	Very high	45 Å²	45	53.2 Å²	53.2	21%	0.208	28%	0.276	C	S	.	.			trans	-70	113	166.1	-164.6	117.7	0	0	0	109.1	L453 Q454 H461 Y464 M466 S534	L453-H457 PolarHBondContact O-N 2.96Å; Q454-H457 PolarHBondContact O-N 2.77Å; H457-H461 PolarHBondContact NE2-O 3.43Å; H457-Y464 AromaticContact CE1-CD2 3.87Å; H457-Y464 AromaticContact CE1-CE2 3.73Å; H457-Y464 PolarHBondContact CE1-O 2.73Å; H457-Y464 PolarHBondContact NE2-O 2.69Å; H457-M466 WeakPolarHBondContact ND1-CE 3.49Å; H457-S534 PolarHBondContact N-OG 3.25Å
458	A	96.8	Very high	97.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.257	C	S	.	.			trans	-66.6	133.9	-177	0	0	0	0	0	112.3	T456 T460 H461 M533 S535 Y623	T456-A458 PolarHBondContact O-N 2.61Å; A458-T460 PolarHBondContact O-N 3.31Å; A458-T460 VanDerWaalsContact O-N 3.16Å; A458-H461 PolarHBondContact O-N 3.37Å; A458-M533 HydrophobicContact CB-CE 3.84Å; A458-S535 WeakPolarHBondContact CB-OG 3.4Å; A458-S535 PolarHBondContact N-OG 3.35Å; A458-Y623 HydrophobicContact CB-CE1 3.78Å; A458-Y623 HydrophobicContact CB-CE2 4.01Å; A458-Y623 WeakPolarHBondContact CB-OH 3.48Å
459	P	94.1	Very high	97.2	Very high	103 Å²	103	49.9 Å²	49.9	67%	0.669	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-19.3	-174.8	26.8	-35.2	0	0	0	113.9	H461	P459-H461 VanDerWaalsContact C-N 3.32Å
460	T	95.3	Very high	97.2	Very high	82 Å²	82	50.3 Å²	50.3	50%	0.503	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-8.7	175.5	62.4	0	0	0	0	113.6	A458 Y623	A458-T460 PolarHBondContact O-N 3.31Å; A458-T460 VanDerWaalsContact O-N 3.16Å; T460-Y623 WeakPolarHBondContact CB-OH 3.44Å; T460-Y623 VanDerWaalsContact CG2-OH 3.3Å; T460-Y623 WeakPolarHBondContact CG2-OH 3.43Å; T460-Y623 WeakPolarHBondContact OG1-CE2 3.46Å; T460-Y623 PolarHBondContact OG1-OH 3.31Å
461	H	95.6	Very high	97.2	Very high	29 Å²	29	46.8 Å²	46.8	13%	0.134	25%	0.249	C	C	.	.			trans	-104.9	62.7	177.4	-56.9	159.3	0	0	0	108.9	H457 A458 P459 S535 N539	H457-H461 PolarHBondContact NE2-O 3.43Å; A458-H461 PolarHBondContact O-N 3.37Å; P459-H461 VanDerWaalsContact C-N 3.32Å; H461-S535 PolarHBondContact ND1-O 3.05Å; H461-S535 PolarHBondContact ND1-OG 2.67Å; H461-N539 PolarHBondContact CE1-ND2 2.87Å
462	S	94.5	Very high	97.2	Very high	100 Å²	100	39.2 Å²	39.2	70%	0.699	22%	0.22	S	C	*	.			trans	-92.7	-0.5	-171.3	54.3	0	0	0	0	114.2	Y464	S462-Y464 PolarHBondContact O-N 3.5Å
463	D	93.6	Very high	97.2	Very high	67 Å²	67	40.4 Å²	40.4	36%	0.358	23%	0.229	S	C	.	.	S	Bend	trans	-70.3	-18.6	178.6	57.6	-51.1	0	0	0	113.2
464	Y	96.1	Very high	97.2	Very high	7 Å²	7	40.5 Å²	40.5	3%	0.027	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	160.5	173.7	60.6	-92.5	0	0	0	112.7	H457 S462 M466 S535 A538 N539 F644 N645 Y646	H457-Y464 AromaticContact CE1-CD2 3.87Å; H457-Y464 AromaticContact CE1-CE2 3.73Å; H457-Y464 PolarHBondContact CE1-O 2.73Å; H457-Y464 PolarHBondContact NE2-O 2.69Å; S462-Y464 PolarHBondContact O-N 3.5Å; Y464-M466 HydrophobicContact CD2-CG 3.91Å; Y464-M466 HydrophobicContact CE2-CE 4.47Å; Y464-M466 HydrophobicContact CE2-CG 3.87Å; Y464-M466 HydrophobicContact CE2-SD 4.12Å; Y464-S535 PolarHBondContact OH-O 3.27Å; Y464-A538 HydrophobicContact CE2-CB 4.44Å; Y464-N539 WeakPolarHBondContact CE1-OD1 3.28Å; Y464-N539 PolarHBondContact OH-OD1 3.23Å; Y464-F644 AromaticContact CD2-CD1 3.61Å; Y464-F644 HydrophobicContact CD2-CD1 3.61Å; Y464-F644 HydrophobicContact CD2-CE1 4.11Å; Y464-F644 AromaticContact CE2-CD1 3.84Å; Y464-F644 HydrophobicContact CE2-CD1 3.84Å; Y464-F644 AromaticContact CE2-CE1 3.84Å; Y464-F644 HydrophobicContact CE2-CE1 3.84Å; Y464-F644 HydrophobicContact CG-CD1 4.02Å; Y464-N645 VanDerWaalsContact CA-O 3.32Å; Y464-N645 WeakPolarHBondContact CA-O 3.36Å; Y464-Y646 AromaticContact CD1-CE1 3.84Å; Y464-Y646 HydrophobicContact CD1-CE1 3.84Å; Y464-Y646 HydrophobicContact CG-CE1 4.15Å
465	T	97.4	Very high	97.1	Very high	83 Å²	83	39 Å²	39	51%	0.509	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	160.5	161.9	62.6	0	0	0	0	109.9	F644 N645	T465-F644 CarbonylContact O-C 3.58Å; T465-F644 WeakPolarHBondContact O-CA 3.23Å; T465-N645 PolarHBondContact N-O 3.24Å; T465-N645 PolarHBondContact O-N 3.43Å; T465-N645 WeakPolarHBondContact OG1-CB 3.41Å; T465-N645 PolarHBondContact OG1-ND2 2.88Å
466	M	98.1	Very high	97.1	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.03	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.7	178.3	-64.2	-176.6	-75.2	0	0	111.3	L453 Q454 H457 Y464 S534 A538 L552 I642 Q643 F644	L453-M466 HydrophobicContact CD1-CE 4.07Å; L453-M466 HydrophobicContact CD1-SD 4.24Å; L453-M466 HydrophobicContact CD2-CB 4.12Å; L453-M466 HydrophobicContact CG-CE 4.38Å; Q454-M466 PolarHBondContact NE2-O 2.81Å; H457-M466 WeakPolarHBondContact ND1-CE 3.49Å; Y464-M466 HydrophobicContact CD2-CG 3.91Å; Y464-M466 HydrophobicContact CE2-CE 4.47Å; Y464-M466 HydrophobicContact CE2-CG 3.87Å; Y464-M466 HydrophobicContact CE2-SD 4.12Å; M466-S534 WeakPolarHBondContact CE-OG 3.5Å; M466-A538 HydrophobicContact CE-CB 4.21Å; M466-A538 HydrophobicContact SD-CB 3.46Å; M466-A538 WeakPolarHBondContact SD-CB 3.41Å; M466-L552 HydrophobicContact SD-CD1 4.28Å; M466-I642 HydrophobicContact CG-CD1 4.39Å; M466-I642 HydrophobicContact SD-CD1 3.78Å; M466-Q643 CarbonylContact C-O 3.55Å; M466-Q643 WeakPolarHBondContact CA-O 3.49Å; M466-F644 HydrophobicContact CG-CD1 4.25Å; M466-F644 HydrophobicContact CG-CE1 4.28Å; M466-F644 HydrophobicContact SD-CE1 4.22Å
467	K	97.8	Very high	96.8	Very high	116 Å²	116	42 Å²	42	50%	0.504	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.3	172.7	180	-175.4	176.1	-171.8	0	109.7	L469 I642 Q643	K467-L469 PolarHBondContact O-N 2.91Å; K467-I642 CarbonylContact O-C 3.44Å; K467-I642 WeakPolarHBondContact O-CA 3.36Å; K467-Q643 HydrophobicContact CB-CB 4.37Å; K467-Q643 PolarHBondContact N-O 2.94Å; K467-Q643 PolarHBondContact O-N 2.77Å
468	V	98.3	Very high	96.6	Very high	9 Å²	9	41.2 Å²	41.2	6%	0.055	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	126.2	171.9	-177.2	0	0	0	0	108.8	F446 E450 L453 V471 L640	F446-V468 HydrophobicContact CE1-CG1 4.41Å; F446-V468 HydrophobicContact CE2-CG1 4.08Å; F446-V468 HydrophobicContact CZ-CB 4.4Å; F446-V468 HydrophobicContact CZ-CG1 3.62Å; E450-V468 HydrophobicContact CB-CG2 4.33Å; E450-V468 HydrophobicContact CG-CG2 4.14Å; L453-V468 HydrophobicContact CD2-CG2 3.44Å; L453-V468 VanDerWaalsContact CD2-CG2 3.44Å; V468-V471 HydrophobicContact CG1-CG2 3.6Å; V468-L640 HydrophobicContact CG2-CD2 4.5Å
469	L	97.8	Very high	96.5	Very high	38 Å²	38	41.6 Å²	41.6	20%	0.199	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-54.2	170.1	-60.7	-179.3	0	0	0	109.6	K467 V549 R641 Q643	K467-L469 PolarHBondContact O-N 2.91Å; L469-V549 HydrophobicContact CD1-CG1 4.45Å; L469-V549 HydrophobicContact CD1-CG2 4.28Å; L469-R641 HydrophobicContact CB-CG 4.38Å; L469-R641 WeakPolarHBondContact CB-O 3.33Å; L469-R641 HydrophobicContact CD1-CG 4.29Å; L469-R641 PolarHBondContact N-O 3.46Å; L469-Q643 HydrophobicContact CD1-CB 4.05Å; L469-Q643 HydrophobicContact CD2-CB 4.04Å; L469-Q643 HydrophobicContact CG-CB 4.02Å
470	D	97.9	Very high	96.5	Very high	10 Å²	10	38.8 Å²	38.8	5%	0.053	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	154.7	-179.7	-61.2	-75	0	0	0	110.8	K304 F472 L640 R641	K304-D470 VanDerWaalsContact CD-OD1 3.26Å; K304-D470 WeakPolarHBondContact CD-OD1 3.45Å; K304-D470 WeakPolarHBondContact CE-OD1 3.46Å; K304-D470 IonicContact NZ-OD1 3.43Å; K304-D470 PolarHBondContact NZ-OD1 3.2Å; D470-F472 HydrophobicContact CB-CD2 4.48Å; D470-F472 HydrophobicContact CB-CE2 3.69Å; D470-F472 HydrophobicContact CB-CZ 3.99Å; D470-L640 WeakPolarHBondContact O-CA 3.28Å; D470-R641 HydrophobicContact CB-CB 4.28Å; D470-R641 PolarHBondContact N-O 3.29Å; D470-R641 PolarHBondContact O-N 2.94Å; D470-R641 IonicContact OD2-CZ 3.07Å; D470-R641 IonicContact OD2-NE 3.32Å; D470-R641 PolarHBondContact OD2-NE 3Å; D470-R641 IonicContact OD2-NH2 3.27Å; D470-R641 PolarHBondContact OD2-NH2 2.82Å
471	V	98.6	Very high	96.5	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.2	170.7	-175	0	0	0	0	107.2	L439 F446 I449 V468 Y638 L639 L640	L439-V471 HydrophobicContact CB-CB 4.47Å; L439-V471 HydrophobicContact CD1-CB 4.31Å; L439-V471 HydrophobicContact CD1-CG1 3.79Å; L439-V471 HydrophobicContact CG-CG1 4.4Å; L439-V471 PolarHBondContact N-O 3.37Å; F446-V471 HydrophobicContact CD2-CB 3.82Å; F446-V471 HydrophobicContact CD2-CG2 3.62Å; F446-V471 HydrophobicContact CE2-CB 3.97Å; F446-V471 HydrophobicContact CE2-CG2 3.48Å; F446-V471 VanDerWaalsContact CE2-CG2 3.48Å; F446-V471 HydrophobicContact CG-CG2 4.43Å; F446-V471 HydrophobicContact CZ-CG2 4.18Å; I449-V471 HydrophobicContact CD1-CG1 3.87Å; I449-V471 HydrophobicContact CG2-CG1 4.31Å; I449-V471 HydrophobicContact CG2-CG2 4.23Å; V468-V471 HydrophobicContact CG1-CG2 3.6Å; V471-Y638 HydrophobicContact CG1-CD1 4.33Å; V471-L639 WeakPolarHBondContact CA-O 3.45Å; V471-L640 HydrophobicContact CG1-CG 4.42Å; V471-L640 HydrophobicContact CG2-CG 4.15Å
472	F	98.7	Very high	96.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.8	175.6	-56.7	-94.6	0	0	0	108.3	K304 L308 E437 P438 D470 Y638 L639 R641	K304-F472 HydrophobicContact CB-CE1 4.02Å; K304-F472 HydrophobicContact CB-CZ 4.02Å; L308-F472 HydrophobicContact CB-CE2 4.38Å; L308-F472 HydrophobicContact CB-CZ 4.03Å; L308-F472 HydrophobicContact CD2-CD1 4.38Å; L308-F472 HydrophobicContact CD2-CD2 4Å; L308-F472 HydrophobicContact CD2-CE1 4.26Å; L308-F472 HydrophobicContact CD2-CE2 3.88Å; L308-F472 HydrophobicContact CD2-CG 4.26Å; L308-F472 HydrophobicContact CD2-CZ 4.01Å; L308-F472 HydrophobicContact CG-CE2 4.49Å; E437-F472 CarbonylContact O-C 3.47Å; E437-F472 VanDerWaalsContact O-CA 3.22Å; E437-F472 WeakPolarHBondContact O-CA 3.49Å; P438-F472 HydrophobicContact CB-CD1 4.07Å; P438-F472 HydrophobicContact CB-CE1 4.03Å; D470-F472 HydrophobicContact CB-CD2 4.48Å; D470-F472 HydrophobicContact CB-CE2 3.69Å; D470-F472 HydrophobicContact CB-CZ 3.99Å; F472-Y638 CarbonylContact O-C 3.58Å; F472-Y638 WeakPolarHBondContact O-CA 3.39Å; F472-L639 HydrophobicContact CB-CB 4.46Å; F472-L639 PolarHBondContact N-O 2.8Å; F472-L639 PolarHBondContact O-N 3.09Å; F472-R641 HydrophobicContact CE2-CB 4.47Å
473	S	98.4	Very high	96.7	Very high	26 Å²	26	41.5 Å²	41.5	18%	0.182	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	145.8	160.5	65	0	0	0	0	108.6	L436 E437 R637	L436-S473 WeakPolarHBondContact CA-O 3.48Å; E437-S473 WeakPolarHBondContact CB-OG 3.35Å; E437-S473 PolarHBondContact N-O 3.02Å; E437-S473 PolarHBondContact O-N 3.1Å; E437-S473 PolarHBondContact O-OG 2.9Å; S473-R637 CarbonylContact C-O 3.57Å; S473-R637 WeakPolarHBondContact CA-O 3.49Å
474	V	98.5	Very high	96.9	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.7	-177.8	-174	0	0	0	0	108.6	L436 L506 M636 R637 L639	L436-V474 HydrophobicContact CD2-CB 4.26Å; L436-V474 HydrophobicContact CD2-CG1 4.1Å; L436-V474 HydrophobicContact CD2-CG2 3.77Å; V474-L506 HydrophobicContact CG1-CD2 4.45Å; V474-M636 HydrophobicContact CB-CB 4.25Å; V474-M636 HydrophobicContact CG1-CB 3.74Å; V474-M636 HydrophobicContact CG1-CE 4.45Å; V474-R637 PolarHBondContact N-O 2.88Å; V474-L639 HydrophobicContact CG2-CB 3.73Å
475	D	97.5	Very high	96.8	Very high	61 Å²	61	43.5 Å²	43.5	33%	0.326	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	99.3	168.5	-160.7	30.5	0	0	0	109.6	Q435 R635	Q435-D475 HydrophobicContact CB-CB 4.34Å; Q435-D475 PolarHBondContact N-O 2.85Å; Q435-D475 PolarHBondContact O-N 2.9Å; D475-R635 IonicContact OD1-NH2 3.76Å; D475-R635 PolarHBondContact OD1-NH2 2.79Å
476	R	97.1	Very high	96.7	Very high	48 Å²	48	46.4 Å²	46.4	18%	0.181	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	135.9	-178.9	-167	-174.8	62.4	71.7	1.9	110.5	C434 G478 E479 L506 M636	C434-R476 HydrophobicContact CB-CB 4.45Å; C434-R476 HydrophobicContact CB-CG 4.14Å; R476-G478 PolarHBondContact O-N 3.02Å; R476-E479 HydrophobicContact CB-CB 4.07Å; R476-E479 IonicContact CZ-OE1 3.89Å; R476-E479 IonicContact NE-OE1 3.35Å; R476-E479 PolarHBondContact NE-OE1 3.3Å; R476-E479 IonicContact NH2-OE1 3.69Å; R476-E479 PolarHBondContact NH2-OE1 2.93Å; R476-E479 VanDerWaalsContact O-CB 3.31Å; R476-E479 WeakPolarHBondContact O-CB 3.44Å; R476-E479 PolarHBondContact O-N 2.56Å; R476-L506 WeakPolarHBondContact CD-O 3.37Å; R476-L506 WeakPolarHBondContact CG-O 3.11Å; R476-M636 HydrophobicContact CB-CE 3.97Å; R476-M636 HydrophobicContact CG-CE 4.27Å
477	G	93.4	Very high	96.7	Very high	49 Å²	49	47 Å²	47	51%	0.505	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	123.1	-179.4	0	0	0	0	0	113.3	Q433 E479	Q433-G477 PolarHBondContact O-N 3.28Å; G477-E479 PolarHBondContact O-N 2.77Å
478	G	92.9	Very high	96.7	Very high	28 Å²	28	46.1 Å²	46.1	29%	0.289	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	-0.5	179.2	0	0	0	0	0	115.5	R476 N482	R476-G478 PolarHBondContact O-N 3.02Å; G478-N482 PolarHBondContact O-N 3.14Å; G478-N482 PolarHBondContact O-ND2 3.16Å
479	E	94.9	Very high	96.7	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-73.4	-40.1	-179.7	-166.4	164.5	-97.3	0	0	112.2	R476 G477 D481 N482 F483 R635 M636	R476-E479 HydrophobicContact CB-CB 4.07Å; R476-E479 IonicContact CZ-OE1 3.89Å; R476-E479 IonicContact NE-OE1 3.35Å; R476-E479 PolarHBondContact NE-OE1 3.3Å; R476-E479 IonicContact NH2-OE1 3.69Å; R476-E479 PolarHBondContact NH2-OE1 2.93Å; R476-E479 VanDerWaalsContact O-CB 3.31Å; R476-E479 WeakPolarHBondContact O-CB 3.44Å; R476-E479 PolarHBondContact O-N 2.56Å; G477-E479 PolarHBondContact O-N 2.77Å; E479-D481 PolarHBondContact O-N 3.2Å; E479-N482 PolarHBondContact O-N 3.41Å; E479-F483 WeakPolarHBondContact O-CB 3.46Å; E479-F483 PolarHBondContact O-N 3.37Å; E479-R635 HydrophobicContact CG-CG 4.34Å; E479-M636 WeakPolarHBondContact OE2-CB 3.15Å; E479-M636 PolarHBondContact OE2-N 2.78Å
480	S	94.4	Very high	96.7	Very high	45 Å²	45	50.8 Å²	50.8	32%	0.315	28%	0.283	S	S	.	.	H	α-helix	trans	-60	-43.1	174.9	51.6	0	0	0	0	112.5	F483	S480-F483 PolarHBondContact O-N 2.7Å
481	D	95.1	Very high	96.7	Very high	140 Å²	140	50.8 Å²	50.8	75%	0.749	28%	0.283	S	S	*	.	H	α-helix	trans	-68.6	-35.9	-178.9	-61.5	-37.5	0	0	0	112.5	E479	E479-D481 PolarHBondContact O-N 3.2Å
482	N	95.8	Very high	96.7	Very high	112 Å²	112	51 Å²	51	60%	0.599	28%	0.284	S	S	*	.	H	α-helix	trans	-85.4	-11.3	-180	-71.7	-54	0	0	0	113.3	G478 E479 L484 A632	G478-N482 PolarHBondContact O-N 3.14Å; G478-N482 PolarHBondContact O-ND2 3.16Å; E479-N482 PolarHBondContact O-N 3.41Å; N482-L484 PolarHBondContact O-N 2.82Å; N482-A632 WeakPolarHBondContact O-CB 3.47Å
483	F	98	Very high	96.8	Very high	15 Å²	15	51 Å²	51	7%	0.066	28%	0.284	C	S	.	.	S	Bend	trans	-66.2	130.5	-175.1	-178	-120	0	0	0	111.5	E479 S480 S485 E556 A558 A632 Q633 R635	E479-F483 WeakPolarHBondContact O-CB 3.46Å; E479-F483 PolarHBondContact O-N 3.37Å; S480-F483 PolarHBondContact O-N 2.7Å; F483-S485 PolarHBondContact O-N 2.98Å; F483-E556 HydrophobicContact CE1-CG 4.15Å; F483-E556 WeakPolarHBondContact CE2-O 3.17Å; F483-E556 HydrophobicContact CZ-CB 4.36Å; F483-E556 HydrophobicContact CZ-CG 3.76Å; F483-A558 HydrophobicContact CE2-CB 3.91Å; F483-A558 HydrophobicContact CZ-CB 3.81Å; F483-A632 CarbonylContact C-O 3.58Å; F483-A632 WeakPolarHBondContact CA-O 3.47Å; F483-A632 WeakPolarHBondContact CD2-O 3.46Å; F483-Q633 WeakPolarHBondContact CE2-O 3.21Å; F483-R635 HydrophobicContact CB-CB 4.36Å; F483-R635 HydrophobicContact CD1-CB 4.37Å; F483-R635 HydrophobicContact CD2-CB 3.61Å; F483-R635 HydrophobicContact CE2-CB 3.91Å; F483-R635 HydrophobicContact CG-CB 3.87Å; F483-R635 HydrophobicContact CZ-CB 4.44Å
484	L	97.8	Very high	96.8	Very high	44 Å²	44	49.8 Å²	49.8	23%	0.23	28%	0.275	C	S	.	.			trans	-75.7	60.8	178.8	-56	-175.9	0	0	0	111.8	N482 H486 L487 A632 Q633	N482-L484 PolarHBondContact O-N 2.82Å; L484-H486 PolarHBondContact O-N 3Å; L484-H486 VanDerWaalsContact O-N 3.13Å; L484-L487 HydrophobicContact CB-CD1 3.93Å; L484-L487 HydrophobicContact CB-CG 4.24Å; L484-L487 HydrophobicContact CD1-CD1 4.06Å; L484-L487 PolarHBondContact O-N 3.25Å; L484-L487 VanDerWaalsContact O-N 3.13Å; L484-A632 HydrophobicContact CD1-CB 4.24Å; L484-A632 HydrophobicContact CD2-CB 4.14Å; L484-A632 HydrophobicContact CG-CB 3.85Å; L484-A632 PolarHBondContact N-O 2.86Å; L484-Q633 HydrophobicContact CD1-CG 3.82Å
485	S	95.3	Very high	96.8	Very high	72 Å²	72	51.2 Å²	51.2	50%	0.503	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.3	-175.2	59	0	0	0	0	114.6	F483 L487	F483-S485 PolarHBondContact O-N 2.98Å; S485-L487 VanDerWaalsContact C-N 3.33Å
486	H	95.5	Very high	96.8	Very high	145 Å²	145	48.6 Å²	48.6	67%	0.671	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-19.5	175.9	65.6	-87	0	0	0	113.4	L484	L484-H486 PolarHBondContact O-N 3Å; L484-H486 VanDerWaalsContact O-N 3.13Å
487	L	97.3	Very high	96.8	Very high	19 Å²	19	47.2 Å²	47.2	10%	0.099	27%	0.267	C	S	.	.	S	Bend	trans	-72.5	138.4	175	-66.3	176.9	0	0	0	110	L484 S485 R490 A558 Q633	L484-L487 HydrophobicContact CB-CD1 3.93Å; L484-L487 HydrophobicContact CB-CG 4.24Å; L484-L487 HydrophobicContact CD1-CD1 4.06Å; L484-L487 PolarHBondContact O-N 3.25Å; L484-L487 VanDerWaalsContact O-N 3.13Å; S485-L487 VanDerWaalsContact C-N 3.33Å; L487-R490 WeakPolarHBondContact O-CG 3.34Å; L487-A558 HydrophobicContact CB-CB 4.09Å; L487-A558 HydrophobicContact CD1-CB 4.3Å; L487-Q633 HydrophobicContact CD1-CG 4.21Å
488	H	97.4	Very high	96.8	Very high	96 Å²	96	46.5 Å²	46.5	44%	0.444	25%	0.249	S	C	.	.	S	Bend	trans	-74.3	-176.6	173.9	63.2	-74	0	0	0	111.7	R490 G560 D561	H488-R490 VanDerWaalsContact C-N 3.34Å; H488-R490 PolarHBondContact O-N 2.79Å; H488-G560 VanDerWaalsContact O-CA 3.28Å; H488-G560 WeakPolarHBondContact O-CA 3.42Å; H488-G560 PolarHBondContact O-N 3.48Å; H488-D561 VanDerWaalsContact CE1-CG 3.48Å; H488-D561 IonicContact CE1-OD1 3.36Å; H488-D561 PolarHBondContact CE1-OD1 2.91Å; H488-D561 IonicContact CE1-OD2 2.7Å; H488-D561 PolarHBondContact CE1-OD2 3.16Å; H488-D561 IonicContact NE2-OD1 2.82Å; H488-D561 PolarHBondContact NE2-OD1 3.24Å; H488-D561 IonicContact NE2-OD2 2.76Å
489	N	97.9	Very high	96.9	Very high	72 Å²	72	47.2 Å²	47.2	39%	0.385	25%	0.246	S	C	.	.			trans	56	46.9	177.1	-170	20.2	0	0	0	112.7	T491 L559 G560	N489-T491 PolarHBondContact O-N 3.16Å; N489-T491 PolarHBondContact OD1-OG1 3.48Å; N489-L559 HydrophobicContact CB-CB 4.38Å; N489-L559 WeakPolarHBondContact O-CB 3.38Å; N489-L559 PolarHBondContact O-N 2.89Å; N489-G560 WeakPolarHBondContact CB-O 3.43Å; N489-G560 PolarHBondContact ND2-O 3.29Å
490	R	98.5	Very high	96.7	Very high	74 Å²	74	47 Å²	47	28%	0.279	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	112.9	175.8	-63.1	-175	-63.6	152.5	-8.7	108.9	L487 H488 E556 V557 A558 A601 T602	L487-R490 WeakPolarHBondContact O-CG 3.34Å; H488-R490 VanDerWaalsContact C-N 3.34Å; H488-R490 PolarHBondContact O-N 2.79Å; R490-E556 HydrophobicContact CB-CG 4.3Å; R490-E556 WeakPolarHBondContact CD-OE1 3.43Å; R490-E556 IonicContact CZ-OE1 3.13Å; R490-E556 IonicContact NE-OE1 2.84Å; R490-E556 IonicContact NH1-OE1 3.84Å; R490-E556 PolarHBondContact NH1-OE1 2.9Å; R490-V557 WeakPolarHBondContact CA-O 2.97Å; R490-A558 HydrophobicContact CG-CB 4.3Å; R490-A601 WeakPolarHBondContact O-CA 3.43Å; R490-T602 PolarHBondContact O-N 2.82Å
491	T	98.7	Very high	96.8	Very high	10 Å²	10	45.3 Å²	45.3	6%	0.061	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.4	-173.8	-53.2	0	0	0	0	109.8	N489 L493 V557 T602 P604	N489-T491 PolarHBondContact O-N 3.16Å; N489-T491 PolarHBondContact OD1-OG1 3.48Å; T491-L493 HydrophobicContact CG2-CD2 3.61Å; T491-L493 HydrophobicContact CG2-CG 3.85Å; T491-V557 PolarHBondContact N-O 3.45Å; T491-V557 PolarHBondContact O-N 3.4Å; T491-T602 CarbonylContact C-O 3.48Å; T491-T602 WeakPolarHBondContact CA-O 3.49Å; T491-T602 WeakPolarHBondContact CG2-O 3.46Å; T491-P604 HydrophobicContact CG2-CG 4.13Å
492	L	98.8	Very high	96.9	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	113.6	174.1	-163.5	73.7	0	0	0	108.6	Y452 L554 S555 L598 T602 V603 R637 Y638	Y452-L492 PolarHBondContact OH-O 3.46Å; L492-L554 HydrophobicContact CD1-CB 4.18Å; L492-L554 HydrophobicContact CD2-CB 4.31Å; L492-L554 HydrophobicContact CD2-CD1 3.96Å; L492-L554 HydrophobicContact CD2-CD2 4.47Å; L492-L554 HydrophobicContact CD2-CG 4.5Å; L492-L554 HydrophobicContact CG-CB 4.06Å; L492-L554 HydrophobicContact CG-CD1 4.47Å; L492-L554 HydrophobicContact CG-CD2 4.19Å; L492-L554 HydrophobicContact CG-CG 4.48Å; L492-S555 WeakPolarHBondContact CA-O 3.48Å; L492-L598 HydrophobicContact CD2-CD2 4.28Å; L492-T602 PolarHBondContact N-O 2.91Å; L492-V603 HydrophobicContact CB-CG2 4.1Å; L492-V603 HydrophobicContact CD2-CG2 3.97Å; L492-R637 HydrophobicContact CD1-CB 4.1Å; L492-R637 HydrophobicContact CD1-CG 4.18Å; L492-Y638 HydrophobicContact CD1-CD2 4.43Å; L492-Y638 HydrophobicContact CD2-CD2 4.27Å; L492-Y638 HydrophobicContact CD2-CE2 4.25Å
493	L	98.9	Very high	96.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	154.4	-171.5	-62	172.3	0	0	0	112.5	T491 F530 D532 L554 S555 V557 L559 P604 F626	T491-L493 HydrophobicContact CG2-CD2 3.61Å; T491-L493 HydrophobicContact CG2-CG 3.85Å; L493-F530 HydrophobicContact CB-CB 3.7Å; L493-F530 HydrophobicContact CB-CD1 4.17Å; L493-F530 HydrophobicContact CB-CG 4.18Å; L493-F530 HydrophobicContact CD1-CB 3.92Å; L493-F530 HydrophobicContact CG-CB 4.46Å; L493-D532 HydrophobicContact CD2-CB 4Å; L493-L554 WeakPolarHBondContact O-CA 3.44Å; L493-S555 PolarHBondContact N-O 3.18Å; L493-S555 PolarHBondContact O-N 2.86Å; L493-S555 VanDerWaalsContact O-N 3.07Å; L493-V557 HydrophobicContact CB-CG2 4.27Å; L493-V557 HydrophobicContact CD1-CB 4.17Å; L493-V557 HydrophobicContact CD1-CG2 4.19Å; L493-L559 HydrophobicContact CD1-CD1 4.35Å; L493-L559 HydrophobicContact CD1-CD2 4.36Å; L493-P604 HydrophobicContact CD2-CG 4.42Å; L493-F626 HydrophobicContact CD1-CB 3.64Å; L493-F626 HydrophobicContact CD1-CD1 4.19Å; L493-F626 HydrophobicContact CD1-CD2 3.79Å; L493-F626 HydrophobicContact CD1-CG 3.61Å; L493-F626 HydrophobicContact CD2-CD2 4Å; L493-F626 HydrophobicContact CD2-CE2 4.02Å
494	W	98.9	Very high	96.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	136.5	-177.1	-60.9	105.2	0	0	0	112.6	Y452 L453 F530 A531 S537 L552 L553 L554 L640	Y452-W494 AromaticContact CD1-CE2 3.69Å; Y452-W494 HydrophobicContact CD1-CH2 4.27Å; Y452-W494 AromaticContact CD1-CZ2 3.37Å; Y452-W494 HydrophobicContact CD1-CZ2 3.37Å; Y452-W494 AromaticContact CD1-NE1 3.77Å; Y452-W494 HydrophobicContact CD2-CZ2 4.35Å; Y452-W494 HydrophobicContact CE1-CD2 4.44Å; Y452-W494 AromaticContact CE1-CE2 3.57Å; Y452-W494 AromaticContact CE1-CZ2 3.8Å; Y452-W494 HydrophobicContact CE1-CZ2 3.8Å; Y452-W494 AromaticContact CE1-NE1 3.29Å; Y452-W494 VanDerWaalsContact CE1-NE1 3.29Å; Y452-W494 AromaticContact CE2-NE1 3.54Å; Y452-W494 AromaticContact CG-CZ2 3.68Å; Y452-W494 HydrophobicContact CG-CZ2 3.68Å; Y452-W494 AromaticContact CZ-CD1 3.73Å; Y452-W494 AromaticContact CZ-CE2 3.91Å; Y452-W494 AromaticContact CZ-NE1 3.13Å; Y452-W494 PolarHBondContact OH-NE1 2.98Å; L453-W494 HydrophobicContact CB-CH2 3.99Å; L453-W494 HydrophobicContact CB-CZ2 4.18Å; L453-W494 HydrophobicContact CD1-CH2 3.84Å; L453-W494 HydrophobicContact CD1-CZ2 4.28Å; L453-W494 HydrophobicContact CD1-CZ3 4.11Å; W494-F530 WeakPolarHBondContact O-CA 3.4Å; W494-A531 WeakPolarHBondContact CB-O 3.43Å; W494-A531 PolarHBondContact N-O 3.2Å; W494-A531 PolarHBondContact O-N 2.77Å; W494-S537 WeakPolarHBondContact CB-OG 3.48Å; W494-S537 PolarHBondContact O-OG 2.96Å; W494-L552 HydrophobicContact CE3-CB 4.21Å; W494-L552 HydrophobicContact CE3-CD1 4.18Å; W494-L552 HydrophobicContact CZ3-CB 4.29Å; W494-L552 HydrophobicContact CZ3-CD1 4.33Å; W494-L553 CarbonylContact C-O 3.59Å; W494-L553 WeakPolarHBondContact CA-O 3.41Å; W494-L554 HydrophobicContact CD2-CD2 3.4Å; W494-L554 HydrophobicContact CD2-CG 4.19Å; W494-L554 HydrophobicContact CE3-CD1 4.41Å; W494-L554 HydrophobicContact CE3-CD2 3.37Å; W494-L554 HydrophobicContact CE3-CG 3.63Å; W494-L554 HydrophobicContact CG-CD2 4Å; W494-L554 HydrophobicContact CH2-CD1 3.68Å; W494-L554 HydrophobicContact CH2-CD2 3.86Å; W494-L554 HydrophobicContact CH2-CG 3.83Å; W494-L554 HydrophobicContact CZ2-CD1 4.25Å; W494-L554 HydrophobicContact CZ2-CD2 3.89Å; W494-L554 HydrophobicContact CZ2-CG 4.36Å; W494-L554 HydrophobicContact CZ3-CD1 3.78Å; W494-L554 HydrophobicContact CZ3-CD2 3.61Å; W494-L554 HydrophobicContact CZ3-CG 3.43Å; W494-L554 VanDerWaalsContact CZ3-CG 3.43Å; W494-L640 HydrophobicContact CH2-CD1 4.47Å; W494-L640 HydrophobicContact CH2-CD2 3.71Å; W494-L640 HydrophobicContact CZ3-CD1 3.86Å; W494-L640 HydrophobicContact CZ3-CD2 3.63Å; W494-L640 HydrophobicContact CZ3-CG 4.35Å
495	H	98.8	Very high	96.7	Very high	32 Å²	32	30.9 Å²	30.9	15%	0.148	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135	165.6	-176.1	86.5	0	0	0	109.4	Y529 F530 L553	H495-Y529 PolarHBondContact ND1-O 3.02Å; H495-F530 HydrophobicContact CB-CD1 3.92Å; H495-F530 HydrophobicContact CB-CE1 3.96Å; H495-L553 HydrophobicContact CB-CB 4.31Å; H495-L553 HydrophobicContact CB-CD2 4.41Å; H495-L553 PolarHBondContact N-O 2.97Å; H495-L553 PolarHBondContact O-N 2.79Å
496	G	97.9	Very high	96.8	Very high	6 Å²	6	27.5 Å²	27.5	6%	0.062	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	147.3	177.2	0	0	0	0	0	111	S537 Y540	G496-S537 WeakPolarHBondContact CA-O 3.32Å; G496-Y540 VanDerWaalsContact O-CB 3.29Å; G496-Y540 WeakPolarHBondContact O-CB 3.42Å
497	S	96.4	Very high	96.8	Very high	19 Å²	19	21.1 Å²	21.1	13%	0.133	10%	0.104	C	C	.	.			trans	-156.1	159.9	179.8	-153.9	0	0	0	0	110.5	N501 W502 Y540	S497-N501 PolarHBondContact OG-ND2 3.5Å; S497-W502 PolarHBondContact O-NE1 2.87Å; S497-W502 VanDerWaalsContact O-NE1 3.12Å; S497-Y540 CarbonylContact C-O 3.57Å; S497-Y540 VanDerWaalsContact C-O 3.23Å; S497-Y540 WeakPolarHBondContact CA-O 3.27Å
498	R	94.7	Very high	96.6	Very high	34 Å²	34	25.9 Å²	25.9	13%	0.128	12%	0.124	C	C	.	.			trans	-59.4	151.8	176.2	-69.7	-179.8	175.4	-97.8	-1.7	111.1	S500 N501 W502 Y540 F542	R498-S500 PolarHBondContact O-N 3.43Å; R498-N501 WeakPolarHBondContact O-CB 3.49Å; R498-N501 PolarHBondContact O-N 2.9Å; R498-W502 PolarHBondContact O-NE1 3.34Å; R498-Y540 PolarHBondContact N-O 2.67Å; R498-F542 HydrophobicContact CG-CB 4.29Å; R498-F542 HydrophobicContact CG-CD2 3.56Å; R498-F542 HydrophobicContact CG-CE2 4.29Å; R498-F542 HydrophobicContact CG-CG 4.27Å; R498-F542 VanDerWaalsContact CZ-CG 3.42Å; R498-F542 VanDerWaalsContact NH2-CE1 3.32Å
499	L	94.4	Very high	96.6	Very high	44 Å²	44	21.4 Å²	21.4	23%	0.23	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-54.7	-37.8	179.6	-80.3	177.7	0	0	0	113.1	L311 N501 W502 L551	L311-L499 HydrophobicContact CD1-CD1 3.95Å; L311-L499 HydrophobicContact CD2-CD2 4.08Å; L311-L499 HydrophobicContact CG-CD1 4.44Å; L311-L499 HydrophobicContact CG-CD2 4.14Å; L499-N501 PolarHBondContact O-N 2.95Å; L499-N501 VanDerWaalsContact O-N 3.09Å; L499-W502 PolarHBondContact O-N 3.42Å; L499-L551 HydrophobicContact CD2-CD1 4.22Å; L499-L551 HydrophobicContact CD2-CG 3.89Å
500	S	91.4	Very high	96.5	Very high	4 Å²	4	18.5 Å²	18.5	3%	0.028	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-58.3	-21.3	178.2	55.3	0	0	0	0	114.7	R498	R498-S500 PolarHBondContact O-N 3.43Å
501	N	95.1	Very high	96.3	Very high	9 Å²	9	20.1 Å²	20.1	5%	0.048	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-93.7	-16.3	-169.3	-63.5	1.9	0	0	0	112.9	A403 D406 S497 R498 L499 V503 G504 I505	A403-N501 WeakPolarHBondContact CA-OD1 3.24Å; D406-N501 HydrophobicContact CB-CB 4.28Å; D406-N501 VanDerWaalsContact OD2-CB 3.26Å; D406-N501 WeakPolarHBondContact OD2-CB 3.31Å; S497-N501 PolarHBondContact OG-ND2 3.5Å; R498-N501 WeakPolarHBondContact O-CB 3.49Å; R498-N501 PolarHBondContact O-N 2.9Å; L499-N501 PolarHBondContact O-N 2.95Å; L499-N501 VanDerWaalsContact O-N 3.09Å; N501-V503 PolarHBondContact O-N 2.95Å; N501-G504 PolarHBondContact O-N 3.26Å; N501-G504 VanDerWaalsContact O-N 3.11Å; N501-I505 HydrophobicContact CB-CD1 4.12Å; N501-I505 WeakPolarHBondContact O-CG1 3.09Å; N501-I505 PolarHBondContact O-N 3.26Å
502	W	97.2	Very high	96.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-69.8	-30.6	-168.5	-69.7	99.2	0	0	0	114.2	I312 S497 R498 L499 G504 I505 L506 L551 L553 L639	I312-W502 HydrophobicContact CB-CB 4.38Å; I312-W502 HydrophobicContact CG2-CB 4.04Å; S497-W502 PolarHBondContact O-NE1 2.87Å; S497-W502 VanDerWaalsContact O-NE1 3.12Å; R498-W502 PolarHBondContact O-NE1 3.34Å; L499-W502 PolarHBondContact O-N 3.42Å; W502-G504 VanDerWaalsContact C-N 3.31Å; W502-G504 PolarHBondContact O-N 3.02Å; W502-I505 HydrophobicContact CD2-CD1 4.35Å; W502-I505 HydrophobicContact CE3-CB 4.25Å; W502-I505 HydrophobicContact CE3-CD1 4.04Å; W502-I505 HydrophobicContact CE3-CG2 4.13Å; W502-I505 HydrophobicContact CZ3-CD1 4.16Å; W502-I505 HydrophobicContact CZ3-CG2 4.12Å; W502-I505 PolarHBondContact O-N 3.17Å; W502-L506 VanDerWaalsContact O-CB 3.28Å; W502-L506 WeakPolarHBondContact O-CB 2.99Å; W502-L506 WeakPolarHBondContact O-CG 3.22Å; W502-L506 PolarHBondContact O-N 2.9Å; W502-L551 HydrophobicContact CB-CD1 4.15Å; W502-L551 HydrophobicContact CD2-CB 4.06Å; W502-L551 HydrophobicContact CD2-CD1 4.01Å; W502-L551 HydrophobicContact CG-CB 4.39Å; W502-L551 HydrophobicContact CG-CD1 3.65Å; W502-L551 HydrophobicContact CZ2-CB 3.82Å; W502-L551 VanDerWaalsContact CZ2-O 3.24Å; W502-L551 WeakPolarHBondContact CZ2-O 3.44Å; W502-L553 HydrophobicContact CH2-CB 3.58Å; W502-L553 HydrophobicContact CZ3-CB 3.67Å; W502-L553 HydrophobicContact CZ3-CD2 4.21Å; W502-L553 HydrophobicContact CZ3-CG 4.43Å; W502-L639 HydrophobicContact CD2-CD1 4.38Å; W502-L639 HydrophobicContact CE3-CD1 3.75Å; W502-L639 HydrophobicContact CH2-CD1 4.13Å; W502-L639 HydrophobicContact CZ3-CD1 3.62Å
503	V	95.3	Very high	95.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.7	-41.2	172.4	176.6	0	0	0	0	110.6	I312 M318 A410 V413 L432 N501 S507	I312-V503 HydrophobicContact CB-CG2 4.21Å; I312-V503 HydrophobicContact CD1-CG2 4.17Å; I312-V503 HydrophobicContact CG1-CG2 3.99Å; I312-V503 WeakPolarHBondContact O-CG2 3.07Å; M318-V503 HydrophobicContact CE-CG2 4.36Å; A410-V503 HydrophobicContact CB-CB 3.8Å; A410-V503 HydrophobicContact CB-CG1 3.76Å; A410-V503 HydrophobicContact CB-CG2 4.21Å; V413-V503 HydrophobicContact CB-CG1 4.1Å; V413-V503 HydrophobicContact CG1-CG1 4.16Å; V413-V503 HydrophobicContact CG2-CG1 4.07Å; L432-V503 HydrophobicContact CD2-CB 4.49Å; L432-V503 HydrophobicContact CD2-CG1 3.83Å; N501-V503 PolarHBondContact O-N 2.95Å; V503-S507 VanDerWaalsContact O-CB 3.25Å; V503-S507 WeakPolarHBondContact O-CB 3.45Å; V503-S507 PolarHBondContact O-N 3.42Å; V503-S507 VanDerWaalsContact O-N 3.09Å; V503-S507 PolarHBondContact O-OG 3.2Å
504	G	94.5	Very high	95.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.1	-47.1	174	0	0	0	0	0	112.4	N501 W502 S507 K508	N501-G504 PolarHBondContact O-N 3.26Å; N501-G504 VanDerWaalsContact O-N 3.11Å; W502-G504 VanDerWaalsContact C-N 3.31Å; W502-G504 PolarHBondContact O-N 3.02Å; G504-S507 PolarHBondContact O-N 3.49Å; G504-S507 PolarHBondContact O-OG 3.23Å; G504-K508 WeakPolarHBondContact O-CB 3.3Å; G504-K508 PolarHBondContact O-N 2.94Å
505	I	97.1	Very high	94.7	Very high	8 Å²	8	29.1 Å²	29.1	4%	0.041	15%	0.154	C	C	.	.	H	α-helix	trans	-63.3	-47.2	179.4	-66.9	166.6	0	0	0	111.5	N501 W502 S507 G509 L510 L553 M636	N501-I505 HydrophobicContact CB-CD1 4.12Å; N501-I505 WeakPolarHBondContact O-CG1 3.09Å; N501-I505 PolarHBondContact O-N 3.26Å; W502-I505 HydrophobicContact CD2-CD1 4.35Å; W502-I505 HydrophobicContact CE3-CB 4.25Å; W502-I505 HydrophobicContact CE3-CD1 4.04Å; W502-I505 HydrophobicContact CE3-CG2 4.13Å; W502-I505 HydrophobicContact CZ3-CD1 4.16Å; W502-I505 HydrophobicContact CZ3-CG2 4.12Å; W502-I505 PolarHBondContact O-N 3.17Å; I505-S507 PolarHBondContact O-N 3.15Å; I505-G509 CarbonylContact O-C 3.51Å; I505-G509 WeakPolarHBondContact O-CA 3.45Å; I505-G509 PolarHBondContact O-N 2.94Å; I505-L510 HydrophobicContact CD1-CD2 4.47Å; I505-L510 HydrophobicContact CG1-CD2 4.36Å; I505-L510 HydrophobicContact CG2-CD2 3.85Å; I505-L510 HydrophobicContact CG2-CG 4.38Å; I505-L553 HydrophobicContact CG2-CD2 4.36Å; I505-M636 HydrophobicContact CG2-SD 3.87Å
506	L	97.6	Very high	94.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.9	-35.6	-178.2	-68	172.2	0	0	0	112.1	I312 L432 C434 L436 V474 R476 W502 L639	I312-L506 HydrophobicContact CD1-CD1 3.76Å; L432-L506 HydrophobicContact CD1-CD1 4.44Å; L432-L506 HydrophobicContact CD2-CB 4.46Å; C434-L506 WeakPolarHBondContact CB-O 3.34Å; L436-L506 HydrophobicContact CD1-CD1 4.22Å; L436-L506 HydrophobicContact CD2-CD2 4.3Å; V474-L506 HydrophobicContact CG1-CD2 4.45Å; R476-L506 WeakPolarHBondContact CD-O 3.37Å; R476-L506 WeakPolarHBondContact CG-O 3.11Å; W502-L506 VanDerWaalsContact O-CB 3.28Å; W502-L506 WeakPolarHBondContact O-CB 2.99Å; W502-L506 WeakPolarHBondContact O-CG 3.22Å; W502-L506 PolarHBondContact O-N 2.9Å; L506-L639 HydrophobicContact CD1-CD2 4.21Å; L506-L639 HydrophobicContact CD2-CD2 4.38Å
507	S	95.2	Very high	93.8	Very high	11 Å²	11	29.6 Å²	29.6	8%	0.077	16%	0.155	C	C	.	.	H	α-helix	trans	-83	-34.1	-178.8	64.7	0	0	0	0	114.7	I409 L432 V503 G504 I505	I409-S507 WeakPolarHBondContact CG2-OG 3.36Å; L432-S507 WeakPolarHBondContact O-CA 3.42Å; V503-S507 VanDerWaalsContact O-CB 3.25Å; V503-S507 WeakPolarHBondContact O-CB 3.45Å; V503-S507 PolarHBondContact O-N 3.42Å; V503-S507 VanDerWaalsContact O-N 3.09Å; V503-S507 PolarHBondContact O-OG 3.2Å; G504-S507 PolarHBondContact O-N 3.49Å; G504-S507 PolarHBondContact O-OG 3.23Å; I505-S507 PolarHBondContact O-N 3.15Å
508	K	94.7	Very high	93.5	Very high	119 Å²	119	28.7 Å²	28.7	52%	0.517	15%	0.148	S	C	.	.	H	α-helix	trans	-114.4	-6	-175.2	-57.3	-56.8	177.6	-167.3	0	114.3	I409 G504	I409-K508 HydrophobicContact CD1-CG 4.1Å; G504-K508 WeakPolarHBondContact O-CB 3.3Å; G504-K508 PolarHBondContact O-N 2.94Å
509	G	96.3	Very high	93.2	Very high	3 Å²	3	28.2 Å²	28.2	3%	0.031	15%	0.149	C	C	.	.			trans	77.6	174.7	-172.6	0	0	0	0	0	112.9	I505	I505-G509 CarbonylContact O-C 3.51Å; I505-G509 WeakPolarHBondContact O-CA 3.45Å; I505-G509 PolarHBondContact O-N 2.94Å
510	L	96.6	Very high	92.5	Very high	10 Å²	10	26.2 Å²	26.2	5%	0.052	14%	0.139	C	C	.	.	S	Bend	trans	-67.7	132.3	169.8	-65.7	172.4	0	0	0	109.7	I505 I528 F530 L553	I505-L510 HydrophobicContact CD1-CD2 4.47Å; I505-L510 HydrophobicContact CG1-CD2 4.36Å; I505-L510 HydrophobicContact CG2-CD2 3.85Å; I505-L510 HydrophobicContact CG2-CG 4.38Å; L510-I528 HydrophobicContact CB-CD1 3.95Å; L510-I528 HydrophobicContact CB-CG1 4.44Å; L510-I528 HydrophobicContact CB-CG2 3.84Å; L510-I528 HydrophobicContact CD1-CG2 3.82Å; L510-I528 HydrophobicContact CG-CG2 4.33Å; L510-F530 HydrophobicContact CD1-CE1 3.76Å; L510-F530 HydrophobicContact CD1-CZ 3.56Å; L510-L553 HydrophobicContact CD1-CD2 3.87Å; L510-L553 HydrophobicContact CD2-CD2 4.17Å; L510-L553 HydrophobicContact CG-CD2 4.16Å
511	R	94.5	Very high	91.8	Very high	109 Å²	109	27.5 Å²	27.5	41%	0.411	15%	0.153	S	C	.	.			trans	-121.1	145.5	-174.4	-71	166.7	-70	160.7	6.5	110.6	D406	D406-R511 IonicContact OD1-CZ 3.11Å; D406-R511 IonicContact OD1-NH2 3.96Å; D406-R511 PolarHBondContact OD1-NH2 3.44Å
512	V	94.3	Very high	91.4	Very high	45 Å²	45	28.2 Å²	28.2	27%	0.273	16%	0.155	S	C	.	.	P	Polyproline II helix	trans	-72.2	140.4	167.2	179.7	0	0	0	0	108.4	K526 I528 P631	V512-K526 HydrophobicContact CG1-CB 3.98Å; V512-K526 WeakPolarHBondContact CG1-O 3.45Å; V512-I528 HydrophobicContact CG2-CG1 4.07Å; V512-P631 HydrophobicContact CG2-CG 4.3Å
513	A	89.5	Confident	90.9	Very high	15 Å²	15	31.5 Å²	31.5	12%	0.124	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-54.2	140.7	175.4	0	0	0	0	0	111.3	A517 Y522 K526	A513-A517 HydrophobicContact CB-CB 4.4Å; A513-Y522 HydrophobicContact CB-CE1 4.1Å; A513-Y522 HydrophobicContact CB-CE2 3.93Å; A513-Y522 VanDerWaalsContact CB-OH 3.31Å; A513-Y522 WeakPolarHBondContact CB-OH 3.42Å; A513-K526 HydrophobicContact CB-CB 4.31Å; A513-K526 HydrophobicContact CB-CD 4.26Å; A513-K526 HydrophobicContact CB-CG 4.21Å
514	P	89.2	Confident	90.9	Very high	38 Å²	38	31.5 Å²	31.5	25%	0.247	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-69.7	158	-172	31.4	-37.9	0	0	0	112.2	Y346 E516 A517 K526	Y346-P514 HydrophobicContact CD2-CG 4.16Å; Y346-P514 HydrophobicContact CE2-CG 3.99Å; P514-E516 HydrophobicContact CB-CG 4.34Å; P514-E516 WeakPolarHBondContact CB-OE1 3.45Å; P514-E516 HydrophobicContact CG-CG 4.28Å; P514-E516 PolarHBondContact O-N 3.43Å; P514-E516 VanDerWaalsContact O-N 3.14Å; P514-A517 HydrophobicContact CG-CB 4.2Å; P514-A517 WeakPolarHBondContact O-CB 3.27Å; P514-A517 PolarHBondContact O-N 2.87Å; P514-K526 PolarHBondContact O-NZ 2.76Å
515	P	87.8	Confident	90.8	Very high	105 Å²	105	31.5 Å²	31.5	68%	0.682	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-30.9	-175.2	-26.6	35.2	0	0	0	115.1	K350 K526	K350-P515 PolarHBondContact NZ-O 2.95Å; P515-K526 VanDerWaalsContact C-NZ 3.26Å; P515-K526 PolarHBondContact O-NZ 2.83Å
516	E	89.3	Confident	90.7	Very high	48 Å²	48	33 Å²	33	22%	0.224	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-22.2	177.3	60.3	-90.3	-154.5	0	0	114.1	R343 Y346 E347 K350 P514	R343-E516 HydrophobicContact CG-CB 4.43Å; R343-E516 HydrophobicContact CG-CG 3.85Å; R343-E516 WeakPolarHBondContact CG-OE1 3.41Å; Y346-E516 CarbonylContact C-O 3.54Å; Y346-E516 HydrophobicContact CD2-CG 4.21Å; Y346-E516 HydrophobicContact CG-CG 4.2Å; E347-E516 HydrophobicContact CG-CB 4.26Å; K350-E516 WeakPolarHBondContact CD-O 3.2Å; P514-E516 HydrophobicContact CB-CG 4.34Å; P514-E516 WeakPolarHBondContact CB-OE1 3.45Å; P514-E516 HydrophobicContact CG-CG 4.28Å; P514-E516 PolarHBondContact O-N 3.43Å; P514-E516 VanDerWaalsContact O-N 3.14Å
517	A	89.8	Confident	90.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-62.4	150.7	178.4	0	0	0	0	0	111.1	Y346 A513 P514 K526	Y346-A517 HydrophobicContact CD1-CB 3.61Å; Y346-A517 HydrophobicContact CE1-CB 3.86Å; Y346-A517 HydrophobicContact CG-CB 4.2Å; A513-A517 HydrophobicContact CB-CB 4.4Å; P514-A517 HydrophobicContact CG-CB 4.2Å; P514-A517 WeakPolarHBondContact O-CB 3.27Å; P514-A517 PolarHBondContact O-N 2.87Å; A517-K526 WeakPolarHBondContact O-CE 3.44Å; A517-K526 PolarHBondContact O-NZ 2.91Å
518	P	90	Very high	90.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.			trans	-56.9	155.9	166.1	-20.9	31.5	0	0	0	111.7	L349 E353 L394 I398 Y522 K526	L349-P518 HydrophobicContact CB-CG 3.54Å; E353-P518 HydrophobicContact CB-CB 4.12Å; E353-P518 HydrophobicContact CG-CB 4.29Å; E353-P518 VanDerWaalsContact OE2-CA 3.27Å; E353-P518 WeakPolarHBondContact OE2-CA 3.39Å; E353-P518 WeakPolarHBondContact OE2-CB 3.25Å; L394-P518 HydrophobicContact CD1-CG 4.27Å; L394-P518 HydrophobicContact CD2-CB 4.36Å; I398-P518 HydrophobicContact CD1-CB 3.85Å; I398-P518 HydrophobicContact CD1-CG 3.79Å; I398-P518 HydrophobicContact CG1-CG 4.04Å; P518-Y522 WeakPolarHBondContact O-CE2 3.23Å; P518-K526 WeakPolarHBondContact O-CE 3.49Å
519	V	88.3	Confident	90.9	Very high	24 Å²	24	29.4 Å²	29.4	15%	0.145	16%	0.161	C	C	.	.	S	Bend	trans	-90.1	-27.7	169.6	70.9	0	0	0	0	111.7	E353 K357 G521 Y522 Y570	E353-V519 WeakPolarHBondContact OE1-CG1 3.27Å; E353-V519 PolarHBondContact OE1-N 2.84Å; E353-V519 PolarHBondContact OE2-N 3.48Å; K357-V519 VanDerWaalsContact NZ-CG1 3.28Å; V519-G521 PolarHBondContact O-N 3.46Å; V519-Y522 WeakPolarHBondContact O-CD2 3.28Å; V519-Y522 PolarHBondContact O-N 2.79Å; V519-Y570 HydrophobicContact CG1-CD1 4.5Å; V519-Y570 HydrophobicContact CG1-CG 4.42Å; V519-Y570 HydrophobicContact CG2-CD1 4.23Å
520	T	78.9	Confident	91	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.018	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	122.7	168.7	-69.1	0	0	0	0	109.3	E353 K357 E391 L394 I398	E353-T520 WeakPolarHBondContact CG-OG1 3.36Å; E353-T520 WeakPolarHBondContact OE1-CB 3.24Å; E353-T520 PolarHBondContact OE1-N 2.86Å; E353-T520 PolarHBondContact OE1-OG1 3.29Å; K357-T520 WeakPolarHBondContact CE-OG1 3.46Å; E391-T520 HydrophobicContact CB-CG2 3.63Å; E391-T520 HydrophobicContact CG-CG2 3.59Å; L394-T520 HydrophobicContact CD2-CG2 3.76Å; I398-T520 WeakPolarHBondContact CD1-O 3.49Å
521	G	76.5	Confident	91.1	Very high	31 Å²	31	29.1 Å²	29.1	32%	0.32	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	120.1	-32.2	-165.4	0	0	0	0	0	113.3	V519	V519-G521 PolarHBondContact O-N 3.46Å
522	Y	86.6	Confident	91.3	Very high	24 Å²	24	24.1 Å²	24.1	9%	0.094	14%	0.141	C	C	.	.			trans	-112.6	97.4	-178	-49.9	-78.6	0	0	0	109.4	I398 E402 A513 P518 V519 F524 G525 K526 Y529 Y570	I398-Y522 WeakPolarHBondContact CG2-OH 3.48Å; E402-Y522 PolarHBondContact OE1-OH 2.83Å; A513-Y522 HydrophobicContact CB-CE1 4.1Å; A513-Y522 HydrophobicContact CB-CE2 3.93Å; A513-Y522 VanDerWaalsContact CB-OH 3.31Å; A513-Y522 WeakPolarHBondContact CB-OH 3.42Å; P518-Y522 WeakPolarHBondContact O-CE2 3.23Å; V519-Y522 WeakPolarHBondContact O-CD2 3.28Å; V519-Y522 PolarHBondContact O-N 2.79Å; Y522-F524 PolarHBondContact O-N 2.78Å; Y522-G525 VanDerWaalsContact CB-O 3.3Å; Y522-G525 WeakPolarHBondContact CB-O 3.48Å; Y522-G525 PolarHBondContact O-N 2.98Å; Y522-K526 HydrophobicContact CD2-CG 4.09Å; Y522-K526 HydrophobicContact CE2-CG 4.4Å; Y522-Y529 VanDerWaalsContact C-OH 3.24Å; Y522-Y529 HydrophobicContact CD1-CD2 4.48Å; Y522-Y529 AromaticContact CD1-CE2 3.92Å; Y522-Y529 HydrophobicContact CD1-CE2 3.92Å; Y522-Y529 HydrophobicContact CG-CE2 4.45Å; Y522-Y570 VanDerWaalsContact O-CD1 3.24Å; Y522-Y570 WeakPolarHBondContact O-CD1 3.33Å
523	M	87.6	Confident	91.5	Very high	68 Å²	68	22 Å²	22	34%	0.335	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-20.4	-171.8	-166.8	177	-65.5	0	0	114.6	Y529 A568 D569 L621	M523-Y529 PolarHBondContact N-OH 2.82Å; M523-A568 HydrophobicContact CG-CB 3.36Å; M523-A568 CarbonylContact O-C 3.55Å; M523-A568 WeakPolarHBondContact O-CA 3.32Å; M523-A568 HydrophobicContact SD-CB 4.27Å; M523-D569 CarbonylContact O-C 3.58Å; M523-D569 PolarHBondContact O-N 3.13Å; M523-L621 HydrophobicContact CE-CD2 4.09Å; M523-L621 HydrophobicContact SD-CD2 3.5Å; M523-L621 VanDerWaalsContact SD-CD2 3.5Å; M523-L621 HydrophobicContact SD-CG 4.27Å
524	F	93.8	Very high	91.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.6	31	-174.9	-63.5	-69	0	0	0	111.8	Y522 Y529 L565 D567 D569 A572 T582 L621 E625 I627 Y629	Y522-F524 PolarHBondContact O-N 2.78Å; F524-Y529 WeakPolarHBondContact CA-OH 3.34Å; F524-Y529 HydrophobicContact CB-CE1 4.49Å; F524-Y529 HydrophobicContact CD2-CE1 4.31Å; F524-Y529 PolarHBondContact N-OH 2.93Å; F524-L565 HydrophobicContact CD1-CB 4.38Å; F524-L565 HydrophobicContact CD1-CD1 3.72Å; F524-L565 HydrophobicContact CE1-CB 3.76Å; F524-L565 HydrophobicContact CE1-CD1 3.94Å; F524-D567 VanDerWaalsContact CE1-O 3.27Å; F524-D567 WeakPolarHBondContact CE1-O 3.29Å; F524-D569 CarbonylContact C-O 3.54Å; F524-D569 WeakPolarHBondContact CA-O 3.17Å; F524-A572 HydrophobicContact CB-CB 4.12Å; F524-A572 HydrophobicContact CD1-CB 4.32Å; F524-T582 HydrophobicContact CB-CG2 4.09Å; F524-T582 HydrophobicContact CD1-CG2 3.94Å; F524-T582 HydrophobicContact CG-CG2 4.06Å; F524-L621 HydrophobicContact CE2-CD1 3.91Å; F524-L621 HydrophobicContact CZ-CD1 3.73Å; F524-E625 HydrophobicContact CE2-CB 4.48Å; F524-I627 HydrophobicContact CB-CD1 3.82Å; F524-I627 HydrophobicContact CB-CG1 4.07Å; F524-I627 HydrophobicContact CD2-CD1 3.52Å; F524-I627 HydrophobicContact CD2-CG1 4.41Å; F524-I627 HydrophobicContact CE2-CD1 4.38Å; F524-I627 HydrophobicContact CG-CD1 3.88Å; F524-Y629 WeakPolarHBondContact O-CE1 3.41Å; F524-Y629 PolarHBondContact O-OH 2.88Å
525	G	93.3	Very high	92.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	75.1	174.3	-176.8	0	0	0	0	0	113.7	Y522 G527 Y529 Y570	Y522-G525 VanDerWaalsContact CB-O 3.3Å; Y522-G525 WeakPolarHBondContact CB-O 3.48Å; Y522-G525 PolarHBondContact O-N 2.98Å; G525-G527 PolarHBondContact O-N 2.94Å; G525-G527 VanDerWaalsContact O-N 3.11Å; G525-Y529 WeakPolarHBondContact O-CE2 3.3Å; G525-Y529 PolarHBondContact O-OH 2.98Å; G525-Y570 VanDerWaalsContact CA-O 3.23Å; G525-Y570 WeakPolarHBondContact CA-O 3.47Å
526	K	94.5	Very high	92.8	Very high	39 Å²	39	15.8 Å²	15.8	17%	0.17	8%	0.083	C	C	.	.	S	Bend	trans	-71.4	109.5	-175.1	-60.9	177.9	-176.3	-177.9	0	110.8	V512 A513 P514 P515 A517 P518 Y522 Y629	V512-K526 HydrophobicContact CG1-CB 3.98Å; V512-K526 WeakPolarHBondContact CG1-O 3.45Å; A513-K526 HydrophobicContact CB-CB 4.31Å; A513-K526 HydrophobicContact CB-CD 4.26Å; A513-K526 HydrophobicContact CB-CG 4.21Å; P514-K526 PolarHBondContact O-NZ 2.76Å; P515-K526 VanDerWaalsContact C-NZ 3.26Å; P515-K526 PolarHBondContact O-NZ 2.83Å; A517-K526 WeakPolarHBondContact O-CE 3.44Å; A517-K526 PolarHBondContact O-NZ 2.91Å; P518-K526 WeakPolarHBondContact O-CE 3.49Å; Y522-K526 HydrophobicContact CD2-CG 4.09Å; Y522-K526 HydrophobicContact CE2-CG 4.4Å; K526-Y629 WeakPolarHBondContact O-CD1 3.43Å
527	G	95.9	Very high	93.3	Very high	6 Å²	6	13.8 Å²	13.8	6%	0.062	8%	0.075	C	C	.	.	S	Bend	trans	-152.9	-173.9	176.2	0	0	0	0	0	111	G525 Y529 V628	G525-G527 PolarHBondContact O-N 2.94Å; G525-G527 VanDerWaalsContact O-N 3.11Å; G527-Y529 WeakPolarHBondContact O-CD2 3.48Å; G527-V628 CarbonylContact C-O 3.58Å; G527-V628 WeakPolarHBondContact CA-O 3.33Å
528	I	97.9	Very high	93.7	Very high	5 Å²	5	13.9 Å²	13.9	3%	0.026	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.6	171.8	-53.3	170.3	0	0	0	107.5	L510 V512 F530 I627 V628 P631 T634	L510-I528 HydrophobicContact CB-CD1 3.95Å; L510-I528 HydrophobicContact CB-CG1 4.44Å; L510-I528 HydrophobicContact CB-CG2 3.84Å; L510-I528 HydrophobicContact CD1-CG2 3.82Å; L510-I528 HydrophobicContact CG-CG2 4.33Å; V512-I528 HydrophobicContact CG2-CG1 4.07Å; I528-F530 HydrophobicContact CB-CE2 3.99Å; I528-F530 HydrophobicContact CG2-CD2 4.26Å; I528-F530 HydrophobicContact CG2-CE1 4.47Å; I528-F530 HydrophobicContact CG2-CE2 3.39Å; I528-F530 HydrophobicContact CG2-CZ 3.53Å; I528-I627 WeakPolarHBondContact O-CA 3.45Å; I528-V628 HydrophobicContact CB-CG2 3.97Å; I528-V628 HydrophobicContact CD1-CG2 4.48Å; I528-V628 PolarHBondContact N-O 2.65Å; I528-V628 PolarHBondContact O-N 3.46Å; I528-P631 HydrophobicContact CD1-CB 4.16Å; I528-P631 HydrophobicContact CD1-CG 4.25Å; I528-T634 HydrophobicContact CD1-CG2 3.96Å; I528-T634 HydrophobicContact CG2-CG2 4.48Å
529	Y	97.8	Very high	94	Very high	44 Å²	44	17 Å²	17	17%	0.173	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	135.2	-173.8	-78.1	-105.6	0	0	0	111.8	H495 Y522 M523 F524 G525 G527 I627	H495-Y529 PolarHBondContact ND1-O 3.02Å; Y522-Y529 VanDerWaalsContact C-OH 3.24Å; Y522-Y529 HydrophobicContact CD1-CD2 4.48Å; Y522-Y529 AromaticContact CD1-CE2 3.92Å; Y522-Y529 HydrophobicContact CD1-CE2 3.92Å; Y522-Y529 HydrophobicContact CG-CE2 4.45Å; M523-Y529 PolarHBondContact N-OH 2.82Å; F524-Y529 WeakPolarHBondContact CA-OH 3.34Å; F524-Y529 HydrophobicContact CB-CE1 4.49Å; F524-Y529 HydrophobicContact CD2-CE1 4.31Å; F524-Y529 PolarHBondContact N-OH 2.93Å; G525-Y529 WeakPolarHBondContact O-CE2 3.3Å; G525-Y529 PolarHBondContact O-OH 2.98Å; G527-Y529 WeakPolarHBondContact O-CD2 3.48Å; Y529-I627 HydrophobicContact CD1-CD1 4.27Å; Y529-I627 HydrophobicContact CD1-CG1 3.56Å; Y529-I627 HydrophobicContact CD2-CG1 4.4Å; Y529-I627 HydrophobicContact CD2-CG2 4.39Å; Y529-I627 HydrophobicContact CE1-CD1 4.01Å; Y529-I627 HydrophobicContact CE1-CG1 3.39Å; Y529-I627 HydrophobicContact CE2-CG1 4.26Å; Y529-I627 HydrophobicContact CE2-CG2 4.11Å; Y529-I627 HydrophobicContact CG-CG1 4.06Å
530	F	98.8	Very high	94.3	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.018	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	157.1	175.9	-60.9	-87.1	0	0	0	111.3	L493 W494 H495 L510 I528 V557 F626 V628 T634	L493-F530 HydrophobicContact CB-CB 3.7Å; L493-F530 HydrophobicContact CB-CD1 4.17Å; L493-F530 HydrophobicContact CB-CG 4.18Å; L493-F530 HydrophobicContact CD1-CB 3.92Å; L493-F530 HydrophobicContact CG-CB 4.46Å; W494-F530 WeakPolarHBondContact O-CA 3.4Å; H495-F530 HydrophobicContact CB-CD1 3.92Å; H495-F530 HydrophobicContact CB-CE1 3.96Å; L510-F530 HydrophobicContact CD1-CE1 3.76Å; L510-F530 HydrophobicContact CD1-CZ 3.56Å; I528-F530 HydrophobicContact CB-CE2 3.99Å; I528-F530 HydrophobicContact CG2-CD2 4.26Å; I528-F530 HydrophobicContact CG2-CE1 4.47Å; I528-F530 HydrophobicContact CG2-CE2 3.39Å; I528-F530 HydrophobicContact CG2-CZ 3.53Å; F530-V557 HydrophobicContact CD1-CG2 3.92Å; F530-V557 HydrophobicContact CD2-CG1 4.25Å; F530-V557 HydrophobicContact CD2-CG2 3.84Å; F530-V557 HydrophobicContact CE1-CG2 3.81Å; F530-V557 HydrophobicContact CE2-CG1 4.15Å; F530-V557 HydrophobicContact CE2-CG2 3.7Å; F530-V557 HydrophobicContact CG-CG2 3.94Å; F530-V557 HydrophobicContact CZ-CG2 3.68Å; F530-F626 HydrophobicContact CB-CB 4.32Å; F530-F626 PolarHBondContact N-O 3.35Å; F530-F626 PolarHBondContact O-N 3.04Å; F530-V628 HydrophobicContact CE2-CG2 4Å; F530-T634 HydrophobicContact CE2-CG2 3.66Å; F530-T634 HydrophobicContact CZ-CG2 3.61Å
531	A	98.7	Very high	95.1	Very high	3 Å²	3	22.1 Å²	22.1	3%	0.025	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-126.6	153.2	171.7	0	0	0	0	0	111.2	W494 K536 S537	W494-A531 WeakPolarHBondContact CB-O 3.43Å; W494-A531 PolarHBondContact N-O 3.2Å; W494-A531 PolarHBondContact O-N 2.77Å; A531-K536 HydrophobicContact CB-CB 4.15Å; A531-K536 HydrophobicContact CB-CD 3.99Å; A531-K536 HydrophobicContact CB-CG 4.18Å; A531-S537 WeakPolarHBondContact CB-OG 3.18Å
532	D	98.5	Very high	95.9	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.027	12%	0.118	C	C	.	.	S	Bend	trans	-88.2	-14.7	169.3	55.3	4.3	0	0	0	112.5	Y452 L493 P590 P604 N624 F626	Y452-D532 WeakPolarHBondContact CE2-O 3.49Å; Y452-D532 PolarHBondContact OH-O 2.95Å; L493-D532 HydrophobicContact CD2-CB 4Å; D532-P590 HydrophobicContact CB-CG 3.93Å; D532-P590 WeakPolarHBondContact OD2-CD 3.22Å; D532-P604 HydrophobicContact CB-CG 3.96Å; D532-N624 WeakPolarHBondContact OD2-CB 3.08Å; D532-N624 PolarHBondContact OD2-ND2 3.02Å; D532-F626 HydrophobicContact CB-CE2 3.74Å; D532-F626 HydrophobicContact CB-CZ 4.33Å
533	M	98.6	Very high	96.2	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	12%	0.12	C	C	.	.	S	Bend	trans	-98	121.4	174.8	-61.1	-63	-72.3	0	0	111.6	T456 A458 S535 K536 P590 Y623	T456-M533 HydrophobicContact CG2-SD 4.47Å; T456-M533 VanDerWaalsContact O-CE 3.32Å; T456-M533 WeakPolarHBondContact O-CE 3.41Å; A458-M533 HydrophobicContact CB-CE 3.84Å; M533-S535 PolarHBondContact O-N 2.74Å; M533-K536 HydrophobicContact CB-CB 4.19Å; M533-K536 PolarHBondContact O-N 2.91Å; M533-P590 HydrophobicContact SD-CG 4.01Å; M533-Y623 HydrophobicContact CE-CD1 4.44Å; M533-Y623 HydrophobicContact CE-CE1 4.34Å; M533-Y623 HydrophobicContact CG-CD1 3.95Å; M533-Y623 HydrophobicContact CG-CG 4.39Å
534	S	98.6	Very high	96.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-58.6	-49.7	-175.6	62.1	0	0	0	0	113.2	L453 T456 H457 M466 K536 S537 A538	L453-S534 PolarHBondContact O-OG 2.97Å; T456-S534 VanDerWaalsContact C-OG 3.26Å; T456-S534 PolarHBondContact O-N 2.75Å; T456-S534 VanDerWaalsContact O-N 3.08Å; T456-S534 PolarHBondContact O-OG 2.99Å; T456-S534 WeakPolarHBondContact OG1-CB 3.39Å; T456-S534 PolarHBondContact OG1-N 2.72Å; T456-S534 PolarHBondContact OG1-OG 3.23Å; H457-S534 PolarHBondContact N-OG 3.25Å; M466-S534 WeakPolarHBondContact CE-OG 3.5Å; S534-K536 PolarHBondContact O-N 2.96Å; S534-S537 PolarHBondContact O-N 2.81Å; S534-A538 WeakPolarHBondContact O-CB 3.29Å; S534-A538 PolarHBondContact O-N 3.43Å
535	S	98.3	Very high	96.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-69.3	-21.7	-175.4	66	0	0	0	0	113	A458 H461 Y464 M533 A538 N539	A458-S535 WeakPolarHBondContact CB-OG 3.4Å; A458-S535 PolarHBondContact N-OG 3.35Å; H461-S535 PolarHBondContact ND1-O 3.05Å; H461-S535 PolarHBondContact ND1-OG 2.67Å; Y464-S535 PolarHBondContact OH-O 3.27Å; M533-S535 PolarHBondContact O-N 2.74Å; S535-A538 PolarHBondContact O-N 3.01Å; S535-N539 PolarHBondContact O-N 2.91Å; S535-N539 PolarHBondContact O-ND2 3.15Å
536	K	98	Very high	95.8	Very high	26 Å²	26	35.4 Å²	35.4	11%	0.113	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-47.8	172.2	-178.7	173.6	-175.3	176.3	0	111.2	A531 M533 S534 A538 Y540 Y623 N624 E625	A531-K536 HydrophobicContact CB-CB 4.15Å; A531-K536 HydrophobicContact CB-CD 3.99Å; A531-K536 HydrophobicContact CB-CG 4.18Å; M533-K536 HydrophobicContact CB-CB 4.19Å; M533-K536 PolarHBondContact O-N 2.91Å; S534-K536 PolarHBondContact O-N 2.96Å; K536-A538 VanDerWaalsContact C-N 3.34Å; K536-Y540 WeakPolarHBondContact O-CD2 3.02Å; K536-Y623 PolarHBondContact NZ-O 3.09Å; K536-N624 PolarHBondContact NZ-O 3.41Å; K536-E625 WeakPolarHBondContact CE-OE1 3.05Å; K536-E625 VanDerWaalsContact NZ-CD 3.34Å; K536-E625 IonicContact NZ-OE1 2.65Å; K536-E625 PolarHBondContact NZ-OE1 2.89Å
537	S	98.4	Very high	95.6	Very high	7 Å²	7	38.5 Å²	38.5	5%	0.049	19%	0.193	C	C	.	.	H	α-helix	trans	-68.8	-34.6	173.9	-67.3	0	0	0	0	111.6	W494 G496 A531 S534 N539 Y540	W494-S537 WeakPolarHBondContact CB-OG 3.48Å; W494-S537 PolarHBondContact O-OG 2.96Å; G496-S537 WeakPolarHBondContact CA-O 3.32Å; A531-S537 WeakPolarHBondContact CB-OG 3.18Å; S534-S537 PolarHBondContact O-N 2.81Å; S537-N539 VanDerWaalsContact C-N 3.28Å; S537-N539 PolarHBondContact O-N 3.45Å; S537-Y540 WeakPolarHBondContact O-CB 3.48Å; S537-Y540 PolarHBondContact O-N 3.17Å
538	A	98.3	Very high	95.5	Very high	1 Å²	1	42 Å²	42	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-62.8	-29.9	-179.9	0	0	0	0	0	113.9	Y464 M466 S534 S535 K536 Y540 C541 L552 F644	Y464-A538 HydrophobicContact CE2-CB 4.44Å; M466-A538 HydrophobicContact CE-CB 4.21Å; M466-A538 HydrophobicContact SD-CB 3.46Å; M466-A538 WeakPolarHBondContact SD-CB 3.41Å; S534-A538 WeakPolarHBondContact O-CB 3.29Å; S534-A538 PolarHBondContact O-N 3.43Å; S535-A538 PolarHBondContact O-N 3.01Å; K536-A538 VanDerWaalsContact C-N 3.34Å; A538-Y540 PolarHBondContact O-N 2.73Å; A538-C541 WeakPolarHBondContact O-CB 3.38Å; A538-C541 PolarHBondContact O-N 2.75Å; A538-C541 PolarHBondContact O-SG 2.91Å; A538-C541 VanDerWaalsContact O-SG 3.41Å; A538-L552 HydrophobicContact CB-CD1 4.13Å; A538-L552 HydrophobicContact CB-CD2 4.36Å; A538-F644 HydrophobicContact CB-CE1 3.79Å; A538-F644 HydrophobicContact CB-CZ 3.93Å
539	N	96.7	Very high	95.5	Very high	66 Å²	66	43.4 Å²	43.4	35%	0.353	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-59.8	-26	173.7	-72.4	-20.2	0	0	0	112.8	H461 Y464 S535 S537 C541 F542	H461-N539 PolarHBondContact CE1-ND2 2.87Å; Y464-N539 WeakPolarHBondContact CE1-OD1 3.28Å; Y464-N539 PolarHBondContact OH-OD1 3.23Å; S535-N539 PolarHBondContact O-N 2.91Å; S535-N539 PolarHBondContact O-ND2 3.15Å; S537-N539 VanDerWaalsContact C-N 3.28Å; S537-N539 PolarHBondContact O-N 3.45Å; N539-C541 VanDerWaalsContact C-N 3.25Å; N539-C541 PolarHBondContact O-N 2.86Å; N539-F542 PolarHBondContact O-N 3.05Å
540	Y	95.3	Very high	95.4	Very high	126 Å²	126	41.3 Å²	41.3	49%	0.494	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-78.7	-5.6	175.7	-67.2	-93.3	0	0	0	113.6	G496 S497 R498 K536 S537 A538 F542	G496-Y540 VanDerWaalsContact O-CB 3.29Å; G496-Y540 WeakPolarHBondContact O-CB 3.42Å; S497-Y540 CarbonylContact C-O 3.57Å; S497-Y540 VanDerWaalsContact C-O 3.23Å; S497-Y540 WeakPolarHBondContact CA-O 3.27Å; R498-Y540 PolarHBondContact N-O 2.67Å; K536-Y540 WeakPolarHBondContact O-CD2 3.02Å; S537-Y540 WeakPolarHBondContact O-CB 3.48Å; S537-Y540 PolarHBondContact O-N 3.17Å; A538-Y540 PolarHBondContact O-N 2.73Å; Y540-F542 VanDerWaalsContact C-N 3.29Å; Y540-F542 VanDerWaalsContact O-CD2 3.23Å; Y540-F542 WeakPolarHBondContact O-CD2 3.14Å
541	C	95.8	Very high	95.4	Very high	9 Å²	9	41.2 Å²	41.2	6%	0.061	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-73.4	-23.3	170.9	-57.6	0	0	0	0	112.1	A538 N539 A543 L551 F644	A538-C541 WeakPolarHBondContact O-CB 3.38Å; A538-C541 PolarHBondContact O-N 2.75Å; A538-C541 PolarHBondContact O-SG 2.91Å; A538-C541 VanDerWaalsContact O-SG 3.41Å; N539-C541 VanDerWaalsContact C-N 3.25Å; N539-C541 PolarHBondContact O-N 2.86Å; C541-A543 PolarHBondContact O-N 2.9Å; C541-L551 PolarHBondContact SG-O 3.36Å; C541-F644 HydrophobicContact CB-CE2 4.13Å; C541-F644 HydrophobicContact CB-CZ 3.8Å
542	F	93	Very high	95.4	Very high	107 Å²	107	41 Å²	41	47%	0.469	21%	0.207	S	C	.	.			trans	50.8	36.2	-174.2	-64.1	-93.5	0	0	0	113.6	R498 N539 Y540	R498-F542 HydrophobicContact CG-CB 4.29Å; R498-F542 HydrophobicContact CG-CD2 3.56Å; R498-F542 HydrophobicContact CG-CE2 4.29Å; R498-F542 HydrophobicContact CG-CG 4.27Å; R498-F542 VanDerWaalsContact CZ-CG 3.42Å; R498-F542 VanDerWaalsContact NH2-CE1 3.32Å; N539-F542 PolarHBondContact O-N 3.05Å; Y540-F542 VanDerWaalsContact C-N 3.29Å; Y540-F542 VanDerWaalsContact O-CD2 3.23Å; Y540-F542 WeakPolarHBondContact O-CD2 3.14Å
543	A	93.1	Very high	95.5	Very high	17 Å²	17	40.8 Å²	40.8	14%	0.14	21%	0.206	C	C	.	.			trans	-63.9	159	170.8	0	0	0	0	0	110.7	C541 H547 F644 Y646	C541-A543 PolarHBondContact O-N 2.9Å; A543-H547 WeakPolarHBondContact CA-O 3.41Å; A543-H547 WeakPolarHBondContact CB-O 3.31Å; A543-F644 HydrophobicContact CB-CB 4.15Å; A543-F644 HydrophobicContact CB-CD1 4.1Å; A543-F644 HydrophobicContact CB-CD2 3.36Å; A543-F644 HydrophobicContact CB-CE1 4.34Å; A543-F644 HydrophobicContact CB-CE2 3.65Å; A543-F644 HydrophobicContact CB-CG 3.61Å; A543-F644 HydrophobicContact CB-CZ 4.13Å; A543-Y646 HydrophobicContact CB-CE2 4.44Å; A543-Y646 PolarHBondContact O-OH 2.91Å
544	N	90.4	Very high	95.5	Very high	50 Å²	50	40.8 Å²	40.8	27%	0.267	21%	0.206	S	C	.	.			trans	-153.1	179.9	177.1	59.5	65.2	0	0	0	110.5	S546 H547 H548 Y646	N544-S546 VanDerWaalsContact C-N 3.25Å; N544-S546 PolarHBondContact O-N 3.47Å; N544-S546 WeakPolarHBondContact OD1-CB 3.35Å; N544-S546 PolarHBondContact OD1-N 3.35Å; N544-H547 PolarHBondContact N-O 3.19Å; N544-H547 CarbonylContact O-C 3.54Å; N544-H547 PolarHBondContact O-N 3.1Å; N544-H547 VanDerWaalsContact O-O 3.09Å; N544-H547 PolarHBondContact OD1-N 2.9Å; N544-H548 VanDerWaalsContact O-CA 3.23Å; N544-H548 WeakPolarHBondContact O-CA 3.4Å; N544-H548 WeakPolarHBondContact O-CB 3.15Å; N544-H548 PolarHBondContact O-N 2.84Å; N544-H548 VanDerWaalsContact O-N 3.15Å; N544-Y646 VanDerWaalsContact C-CE2 3.47Å; N544-Y646 VanDerWaalsContact CA-CE2 3.49Å
545	Q	88.8	Confident	95.5	Very high	130 Å²	130	40.8 Å²	40.8	61%	0.607	21%	0.206	S	C	*	.	S	Bend	trans	-59.5	-32.7	-177.8	-69.6	176.9	-0.5	0	0	113.8	Y646	Q545-Y646 HydrophobicContact CG-CD2 4.3Å; Q545-Y646 HydrophobicContact CG-CG 4.15Å
546	S	86.8	Confident	95.5	Very high	97 Å²	97	41 Å²	41	68%	0.678	21%	0.207	S	C	*	.	S	Bend	trans	-82.9	-35.7	178.1	-59.4	0	0	0	0	111.6	N544	N544-S546 VanDerWaalsContact C-N 3.25Å; N544-S546 PolarHBondContact O-N 3.47Å; N544-S546 WeakPolarHBondContact OD1-CB 3.35Å; N544-S546 PolarHBondContact OD1-N 3.35Å
547	H	89.1	Confident	95.5	Very high	105 Å²	105	39.8 Å²	39.8	49%	0.486	20%	0.201	S	C	.	.	S	Bend	trans	-121	77.4	-179.6	-60.2	97.5	0	0	0	109.8	A543 N544	A543-H547 WeakPolarHBondContact CA-O 3.41Å; A543-H547 WeakPolarHBondContact CB-O 3.31Å; N544-H547 PolarHBondContact N-O 3.19Å; N544-H547 CarbonylContact O-C 3.54Å; N544-H547 PolarHBondContact O-N 3.1Å; N544-H547 VanDerWaalsContact O-O 3.09Å; N544-H547 PolarHBondContact OD1-N 2.9Å
548	H	94.5	Very high	95.5	Very high	78 Å²	78	39.4 Å²	39.4	36%	0.361	20%	0.199	S	C	.	.			trans	-98.4	6.4	-166.5	63.7	-79.3	0	0	0	113.4	N544 Q643 F644	N544-H548 VanDerWaalsContact O-CA 3.23Å; N544-H548 WeakPolarHBondContact O-CA 3.4Å; N544-H548 WeakPolarHBondContact O-CB 3.15Å; N544-H548 PolarHBondContact O-N 2.84Å; N544-H548 VanDerWaalsContact O-N 3.15Å; H548-Q643 CarbonylContact O-C 3.54Å; H548-Q643 WeakPolarHBondContact O-CA 3.47Å; H548-F644 WeakPolarHBondContact CB-O 3.13Å; H548-F644 PolarHBondContact O-N 3.37Å
549	V	97.2	Very high	95.6	Very high	35 Å²	35	39.4 Å²	39.4	21%	0.212	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	132.3	171.7	177.8	0	0	0	0	108.2	L311 L469 R641 I642	L311-V549 HydrophobicContact CD2-CG1 3.86Å; L469-V549 HydrophobicContact CD1-CG1 4.45Å; L469-V549 HydrophobicContact CD1-CG2 4.28Å; V549-R641 HydrophobicContact CG1-CG 3.92Å; V549-I642 WeakPolarHBondContact CA-O 3.34Å
550	G	97.5	Very high	95.6	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	176.5	174.3	0	0	0	0	0	111.2	I642	G550-I642 PolarHBondContact N-O 2.8Å; G550-I642 VanDerWaalsContact O-CG1 3.28Å; G550-I642 WeakPolarHBondContact O-CG1 3.33Å; G550-I642 PolarHBondContact O-N 3.23Å
551	L	98.7	Very high	95.8	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.7	178.2	-57.3	179.9	0	0	0	110.6	L308 L311 I312 L499 W502 C541 L639 L640 R641	L308-L551 HydrophobicContact CD1-CD1 3.88Å; L308-L551 HydrophobicContact CD1-CD2 3.88Å; L311-L551 HydrophobicContact CD2-CD2 4.44Å; I312-L551 HydrophobicContact CG2-CD1 3.48Å; I312-L551 VanDerWaalsContact CG2-CD1 3.48Å; L499-L551 HydrophobicContact CD2-CD1 4.22Å; L499-L551 HydrophobicContact CD2-CG 3.89Å; W502-L551 HydrophobicContact CB-CD1 4.15Å; W502-L551 HydrophobicContact CD2-CB 4.06Å; W502-L551 HydrophobicContact CD2-CD1 4.01Å; W502-L551 HydrophobicContact CG-CB 4.39Å; W502-L551 HydrophobicContact CG-CD1 3.65Å; W502-L551 HydrophobicContact CZ2-CB 3.82Å; W502-L551 VanDerWaalsContact CZ2-O 3.24Å; W502-L551 WeakPolarHBondContact CZ2-O 3.44Å; C541-L551 PolarHBondContact SG-O 3.36Å; L551-L639 HydrophobicContact CB-CD1 4.18Å; L551-L639 HydrophobicContact CD1-CD1 4.45Å; L551-L639 HydrophobicContact CD1-CD2 4.29Å; L551-L640 VanDerWaalsContact CA-O 3.26Å; L551-L640 WeakPolarHBondContact CA-O 3.49Å; L551-R641 HydrophobicContact CD2-CB 3.8Å; L551-R641 HydrophobicContact CD2-CG 3.9Å
552	L	98.7	Very high	95.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.3	170.9	-82.3	-179.5	0	0	0	109.4	L453 M466 W494 A538 L640 I642	L453-L552 HydrophobicContact CD1-CD1 3.7Å; M466-L552 HydrophobicContact SD-CD1 4.28Å; W494-L552 HydrophobicContact CE3-CB 4.21Å; W494-L552 HydrophobicContact CE3-CD1 4.18Å; W494-L552 HydrophobicContact CZ3-CB 4.29Å; W494-L552 HydrophobicContact CZ3-CD1 4.33Å; A538-L552 HydrophobicContact CB-CD1 4.13Å; A538-L552 HydrophobicContact CB-CD2 4.36Å; L552-L640 HydrophobicContact CB-CB 4.37Å; L552-L640 PolarHBondContact N-O 3.31Å; L552-L640 PolarHBondContact O-N 2.79Å; L552-I642 HydrophobicContact CD1-CD1 3.66Å; L552-I642 HydrophobicContact CG-CD1 3.75Å
553	L	98.9	Very high	96.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.4	178.5	175.5	68.5	0	0	0	109.9	W494 H495 W502 I505 L510 M636	W494-L553 CarbonylContact C-O 3.59Å; W494-L553 WeakPolarHBondContact CA-O 3.41Å; H495-L553 HydrophobicContact CB-CB 4.31Å; H495-L553 HydrophobicContact CB-CD2 4.41Å; H495-L553 PolarHBondContact N-O 2.97Å; H495-L553 PolarHBondContact O-N 2.79Å; W502-L553 HydrophobicContact CH2-CB 3.58Å; W502-L553 HydrophobicContact CZ3-CB 3.67Å; W502-L553 HydrophobicContact CZ3-CD2 4.21Å; W502-L553 HydrophobicContact CZ3-CG 4.43Å; I505-L553 HydrophobicContact CG2-CD2 4.36Å; L510-L553 HydrophobicContact CD1-CD2 3.87Å; L510-L553 HydrophobicContact CD2-CD2 4.17Å; L510-L553 HydrophobicContact CG-CD2 4.16Å; L553-M636 HydrophobicContact CD1-CB 3.95Å; L553-M636 HydrophobicContact CD1-CG 3.98Å; L553-M636 HydrophobicContact CD1-SD 4.03Å; L553-M636 HydrophobicContact CD2-CG 3.85Å; L553-M636 HydrophobicContact CD2-SD 3.65Å; L553-M636 HydrophobicContact CG-CG 4.43Å
554	L	98.8	Very high	96.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.7	162.4	-75.6	173.4	0	0	0	108.9	I449 Y452 L492 L493 W494 R637 Y638 L640	I449-L554 HydrophobicContact CB-CD1 4.5Å; I449-L554 HydrophobicContact CG1-CD1 4.08Å; I449-L554 HydrophobicContact CG2-CD1 3.89Å; Y452-L554 HydrophobicContact CD1-CD1 4.29Å; Y452-L554 HydrophobicContact CD1-CD2 3.99Å; Y452-L554 HydrophobicContact CE1-CD2 3.67Å; L492-L554 HydrophobicContact CD1-CB 4.18Å; L492-L554 HydrophobicContact CD2-CB 4.31Å; L492-L554 HydrophobicContact CD2-CD1 3.96Å; L492-L554 HydrophobicContact CD2-CD2 4.47Å; L492-L554 HydrophobicContact CD2-CG 4.5Å; L492-L554 HydrophobicContact CG-CB 4.06Å; L492-L554 HydrophobicContact CG-CD1 4.47Å; L492-L554 HydrophobicContact CG-CD2 4.19Å; L492-L554 HydrophobicContact CG-CG 4.48Å; L493-L554 WeakPolarHBondContact O-CA 3.44Å; W494-L554 HydrophobicContact CD2-CD2 3.4Å; W494-L554 HydrophobicContact CD2-CG 4.19Å; W494-L554 HydrophobicContact CE3-CD1 4.41Å; W494-L554 HydrophobicContact CE3-CD2 3.37Å; W494-L554 HydrophobicContact CE3-CG 3.63Å; W494-L554 HydrophobicContact CG-CD2 4Å; W494-L554 HydrophobicContact CH2-CD1 3.68Å; W494-L554 HydrophobicContact CH2-CD2 3.86Å; W494-L554 HydrophobicContact CH2-CG 3.83Å; W494-L554 HydrophobicContact CZ2-CD1 4.25Å; W494-L554 HydrophobicContact CZ2-CD2 3.89Å; W494-L554 HydrophobicContact CZ2-CG 4.36Å; W494-L554 HydrophobicContact CZ3-CD1 3.78Å; W494-L554 HydrophobicContact CZ3-CD2 3.61Å; W494-L554 HydrophobicContact CZ3-CG 3.43Å; W494-L554 VanDerWaalsContact CZ3-CG 3.43Å; L554-R637 PolarHBondContact O-N 3.34Å; L554-Y638 HydrophobicContact CB-CD2 4.27Å; L554-Y638 HydrophobicContact CD1-CD2 4.49Å; L554-Y638 PolarHBondContact N-O 2.9Å; L554-Y638 PolarHBondContact O-N 3.23Å; L554-L640 HydrophobicContact CD1-CD1 4.03Å; L554-L640 HydrophobicContact CG-CD1 4.11Å
555	S	98.7	Very high	96.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.1	175.1	-58	0	0	0	0	110.1	L492 L493 V557 R635	L492-S555 WeakPolarHBondContact CA-O 3.48Å; L493-S555 PolarHBondContact N-O 3.18Å; L493-S555 PolarHBondContact O-N 2.86Å; L493-S555 VanDerWaalsContact O-N 3.07Å; S555-V557 PolarHBondContact O-N 3.34Å; S555-R635 CarbonylContact C-O 3.46Å; S555-R635 VanDerWaalsContact CA-O 3.25Å; S555-R635 WeakPolarHBondContact CA-O 3.24Å; S555-R635 WeakPolarHBondContact CB-O 3.44Å
556	E	98.6	Very high	96.7	Very high	5 Å²	5	30.4 Å²	30.4	2%	0.023	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	115.6	163.2	-175.7	-177.7	176	0	0	107.5	F483 R490 A601 R635 R637	F483-E556 HydrophobicContact CE1-CG 4.15Å; F483-E556 WeakPolarHBondContact CE2-O 3.17Å; F483-E556 HydrophobicContact CZ-CB 4.36Å; F483-E556 HydrophobicContact CZ-CG 3.76Å; R490-E556 HydrophobicContact CB-CG 4.3Å; R490-E556 WeakPolarHBondContact CD-OE1 3.43Å; R490-E556 IonicContact CZ-OE1 3.13Å; R490-E556 IonicContact NE-OE1 2.84Å; R490-E556 IonicContact NH1-OE1 3.84Å; R490-E556 PolarHBondContact NH1-OE1 2.9Å; E556-A601 HydrophobicContact CG-CB 3.95Å; E556-R635 HydrophobicContact CB-CB 4.46Å; E556-R635 PolarHBondContact N-O 2.67Å; E556-R635 PolarHBondContact O-N 2.91Å; E556-R637 HydrophobicContact CB-CG 3.81Å
557	V	98.8	Very high	96.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	117.6	-176.7	-171.4	0	0	0	0	109	R490 T491 L493 F530 S555 L559 V628 Q633	R490-V557 WeakPolarHBondContact CA-O 2.97Å; T491-V557 PolarHBondContact N-O 3.45Å; T491-V557 PolarHBondContact O-N 3.4Å; L493-V557 HydrophobicContact CB-CG2 4.27Å; L493-V557 HydrophobicContact CD1-CB 4.17Å; L493-V557 HydrophobicContact CD1-CG2 4.19Å; F530-V557 HydrophobicContact CD1-CG2 3.92Å; F530-V557 HydrophobicContact CD2-CG1 4.25Å; F530-V557 HydrophobicContact CD2-CG2 3.84Å; F530-V557 HydrophobicContact CE1-CG2 3.81Å; F530-V557 HydrophobicContact CE2-CG1 4.15Å; F530-V557 HydrophobicContact CE2-CG2 3.7Å; F530-V557 HydrophobicContact CG-CG2 3.94Å; F530-V557 HydrophobicContact CZ-CG2 3.68Å; S555-V557 PolarHBondContact O-N 3.34Å; V557-L559 HydrophobicContact CB-CD2 4.39Å; V557-L559 HydrophobicContact CG1-CD2 3.67Å; V557-L559 HydrophobicContact CG1-CG 4.26Å; V557-L559 PolarHBondContact O-N 2.84Å; V557-L559 VanDerWaalsContact O-N 3.12Å; V557-V628 HydrophobicContact CG1-CG1 3.54Å; V557-V628 HydrophobicContact CG1-CG2 4.35Å; V557-Q633 CarbonylContact C-O 3.59Å; V557-Q633 WeakPolarHBondContact CA-O 3.3Å
558	A	98.6	Very high	96.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	83.8	176.4	0	0	0	0	0	110.1	F483 L487 R490 Q633	F483-A558 HydrophobicContact CE2-CB 3.91Å; F483-A558 HydrophobicContact CZ-CB 3.81Å; L487-A558 HydrophobicContact CB-CB 4.09Å; L487-A558 HydrophobicContact CD1-CB 4.3Å; R490-A558 HydrophobicContact CG-CB 4.3Å; A558-Q633 HydrophobicContact CB-CB 4.42Å; A558-Q633 PolarHBondContact N-O 2.71Å; A558-Q633 PolarHBondContact O-NE2 3.37Å
559	L	98.6	Very high	96.7	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	15%	0.146	C	C	.	.			trans	-71.1	-34.2	-176.1	-60.9	172.5	0	0	0	112	N489 L493 V557 H580 S581 F626 V628	N489-L559 HydrophobicContact CB-CB 4.38Å; N489-L559 WeakPolarHBondContact O-CB 3.38Å; N489-L559 PolarHBondContact O-N 2.89Å; L493-L559 HydrophobicContact CD1-CD1 4.35Å; L493-L559 HydrophobicContact CD1-CD2 4.36Å; V557-L559 HydrophobicContact CB-CD2 4.39Å; V557-L559 HydrophobicContact CG1-CD2 3.67Å; V557-L559 HydrophobicContact CG1-CG 4.26Å; V557-L559 PolarHBondContact O-N 2.84Å; V557-L559 VanDerWaalsContact O-N 3.12Å; L559-H580 WeakPolarHBondContact O-CB 3.42Å; L559-S581 PolarHBondContact O-OG 2.87Å; L559-F626 HydrophobicContact CD1-CD1 3.64Å; L559-F626 HydrophobicContact CD1-CE1 4.05Å; L559-F626 HydrophobicContact CD1-CG 4.5Å; L559-F626 HydrophobicContact CD2-CB 3.98Å; L559-F626 HydrophobicContact CD2-CD1 4.12Å; L559-F626 HydrophobicContact CD2-CG 4.46Å; L559-V628 HydrophobicContact CD2-CG1 4.24Å
560	G	98.4	Very high	96.3	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.01	15%	0.148	C	C	.	.			trans	54.1	-141.2	-168.7	0	0	0	0	0	111.1	H488 N489 S562	H488-G560 VanDerWaalsContact O-CA 3.28Å; H488-G560 WeakPolarHBondContact O-CA 3.42Å; H488-G560 PolarHBondContact O-N 3.48Å; N489-G560 WeakPolarHBondContact CB-O 3.43Å; N489-G560 PolarHBondContact ND2-O 3.29Å; G560-S562 PolarHBondContact O-N 3.06Å
561	D	98.4	Very high	96	Very high	71 Å²	71	31.5 Å²	31.5	38%	0.38	17%	0.166	S	C	.	.	S	Bend	trans	-79.3	110.8	172.5	-62.2	-47.2	0	0	0	112	H488 K579 H580	H488-D561 VanDerWaalsContact CE1-CG 3.48Å; H488-D561 IonicContact CE1-OD1 3.36Å; H488-D561 PolarHBondContact CE1-OD1 2.91Å; H488-D561 IonicContact CE1-OD2 2.7Å; H488-D561 PolarHBondContact CE1-OD2 3.16Å; H488-D561 IonicContact NE2-OD1 2.82Å; H488-D561 PolarHBondContact NE2-OD1 3.24Å; H488-D561 IonicContact NE2-OD2 2.76Å; D561-K579 HydrophobicContact CB-CD 4.03Å; D561-K579 CarbonylContact O-C 3.59Å; D561-K579 VanDerWaalsContact O-CA 3.27Å; D561-K579 WeakPolarHBondContact O-CA 3.46Å; D561-K579 WeakPolarHBondContact O-CD 3.4Å; D561-H580 PolarHBondContact N-ND1 3.42Å; D561-H580 VanDerWaalsContact N-ND1 3.15Å; D561-H580 PolarHBondContact O-N 3.18Å; D561-H580 IonicContact OD2-CE1 2.71Å
562	S	98.1	Very high	95.8	Very high	13 Å²	13	31.6 Å²	31.6	9%	0.091	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	142.5	177.3	-64.5	0	0	0	0	112.9	G560 K579 S581	G560-S562 PolarHBondContact O-N 3.06Å; S562-K579 WeakPolarHBondContact O-CD 3.02Å; S562-K579 WeakPolarHBondContact O-CE 3.48Å; S562-K579 PolarHBondContact O-NZ 3.49Å; S562-S581 CarbonylContact C-O 3.52Å; S562-S581 WeakPolarHBondContact CA-O 3.17Å; S562-S581 PolarHBondContact OG-OG 2.76Å
563	N	98.1	Very high	95.4	Very high	28 Å²	28	35.2 Å²	35.2	15%	0.15	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	111.6	159.5	-174.9	37.3	0	0	0	108.5	L575 K579 S581 T582 K583	N563-L575 HydrophobicContact CB-CD2 4.09Å; N563-K579 HydrophobicContact CB-CB 4.28Å; N563-K579 HydrophobicContact CB-CG 4.18Å; N563-S581 PolarHBondContact N-O 3.43Å; N563-T582 CarbonylContact O-C 3.54Å; N563-T582 WeakPolarHBondContact O-CA 3.5Å; N563-K583 PolarHBondContact O-N 3.26Å
564	E	96.9	Very high	95.2	Very high	107 Å²	107	42 Å²	42	50%	0.5	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	127.6	-177	-59.8	-164.4	142.1	0	0	110.5	K583 L585	E564-K583 WeakPolarHBondContact CA-O 3.26Å; E564-K583 HydrophobicContact CG-CB 4.43Å; E564-K583 HydrophobicContact CG-CD 4.43Å; E564-K583 IonicContact OE1-NZ 3.24Å; E564-K583 PolarHBondContact OE1-NZ 3.32Å; E564-L585 HydrophobicContact CB-CD1 3.95Å; E564-L585 HydrophobicContact CB-CD2 4.25Å; E564-L585 HydrophobicContact CB-CG 4.08Å; E564-L585 HydrophobicContact CG-CD2 4.34Å
565	L	95.3	Very high	95.1	Very high	32 Å²	32	44.3 Å²	44.3	17%	0.168	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	138.7	-175.8	-64.1	178.6	0	0	0	111	F524 D569 A572 T582 K583 L585	F524-L565 HydrophobicContact CD1-CB 4.38Å; F524-L565 HydrophobicContact CD1-CD1 3.72Å; F524-L565 HydrophobicContact CE1-CB 3.76Å; F524-L565 HydrophobicContact CE1-CD1 3.94Å; L565-D569 HydrophobicContact CD1-CB 3.98Å; L565-A572 HydrophobicContact CD1-CB 3.6Å; L565-T582 HydrophobicContact CD1-CG2 3.7Å; L565-T582 HydrophobicContact CG-CG2 4.23Å; L565-K583 PolarHBondContact N-O 2.81Å; L565-L585 PolarHBondContact O-N 3.22Å
566	L	92.6	Very high	95	Very high	64 Å²	64	47.2 Å²	47.2	34%	0.335	24%	0.244	S	C	.	.	S	Bend	trans	-90.6	-34.6	177.4	-65.6	172.3	0	0	0	112.4	L585 V613	L566-L585 HydrophobicContact CD2-CB 4.14Å; L566-L585 HydrophobicContact CD2-CD1 3.9Å; L566-V613 HydrophobicContact CD2-CG1 3.35Å
567	D	89.6	Confident	94.9	Very high	75 Å²	75	52.1 Å²	52.1	40%	0.401	29%	0.285	S	S	.	.	S	Bend	trans	-116.9	156.8	-176.7	-75.7	-57.3	0	0	0	111	F524 D569 N615	F524-D567 VanDerWaalsContact CE1-O 3.27Å; F524-D567 WeakPolarHBondContact CE1-O 3.29Å; D567-D569 PolarHBondContact O-N 3.41Å; D567-N615 PolarHBondContact OD1-ND2 2.74Å; D567-N615 PolarHBondContact OD2-ND2 2.96Å
568	A	89.3	Confident	94.8	Very high	52 Å²	52	54.7 Å²	54.7	43%	0.43	31%	0.312	S	S	.	.			trans	-56.1	132.9	173.1	0	0	0	0	0	111.1	M523	M523-A568 HydrophobicContact CG-CB 3.36Å; M523-A568 CarbonylContact O-C 3.55Å; M523-A568 WeakPolarHBondContact O-CA 3.32Å; M523-A568 HydrophobicContact SD-CB 4.27Å
569	D	90.5	Very high	94.7	Very high	63 Å²	63	58.5 Å²	58.5	34%	0.337	33%	0.328	S	S	.	.			trans	-138.4	101.4	174.7	178.4	5.7	0	0	0	109.3	M523 F524 L565 D567 E571 A572	M523-D569 CarbonylContact O-C 3.58Å; M523-D569 PolarHBondContact O-N 3.13Å; F524-D569 CarbonylContact C-O 3.54Å; F524-D569 WeakPolarHBondContact CA-O 3.17Å; L565-D569 HydrophobicContact CD1-CB 3.98Å; D567-D569 PolarHBondContact O-N 3.41Å; D569-E571 PolarHBondContact O-N 3.1Å; D569-E571 WeakPolarHBondContact OD1-CA 3.31Å; D569-E571 WeakPolarHBondContact OD1-CB 3.39Å; D569-E571 PolarHBondContact OD1-N 3.09Å; D569-A572 HydrophobicContact CB-CB 4.09Å; D569-A572 WeakPolarHBondContact O-CB 3.31Å; D569-A572 PolarHBondContact O-N 3.09Å
570	Y	89.2	Confident	94.7	Very high	66 Å²	66	61.2 Å²	61.2	26%	0.259	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.5	179.3	-62.2	-62.5	0	0	0	113.3	E391 V519 Y522 G525	E391-Y570 PolarHBondContact OE2-OH 2.91Å; V519-Y570 HydrophobicContact CG1-CD1 4.5Å; V519-Y570 HydrophobicContact CG1-CG 4.42Å; V519-Y570 HydrophobicContact CG2-CD1 4.23Å; Y522-Y570 VanDerWaalsContact O-CD1 3.24Å; Y522-Y570 WeakPolarHBondContact O-CD1 3.33Å; G525-Y570 VanDerWaalsContact CA-O 3.23Å; G525-Y570 WeakPolarHBondContact CA-O 3.47Å
571	E	91.5	Very high	94.8	Very high	83 Å²	83	61.2 Å²	61.2	39%	0.388	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	8	177.4	-60.7	-64.8	124.3	0	0	113	D569 H573 K574	D569-E571 PolarHBondContact O-N 3.1Å; D569-E571 WeakPolarHBondContact OD1-CA 3.31Å; D569-E571 WeakPolarHBondContact OD1-CB 3.39Å; D569-E571 PolarHBondContact OD1-N 3.09Å; E571-H573 PolarHBondContact O-N 2.73Å; E571-H573 IonicContact OE2-CE1 3.61Å; E571-K574 HydrophobicContact CB-CD 4.44Å; E571-K574 WeakPolarHBondContact O-CB 3.25Å; E571-K574 PolarHBondContact O-N 3.12Å; E571-K574 WeakPolarHBondContact OE2-CE 3.29Å; E571-K574 IonicContact OE2-NZ 3.27Å; E571-K574 PolarHBondContact OE2-NZ 2.85Å
572	A	93.9	Very high	94.8	Very high	2 Å²	2	57.8 Å²	57.8	2%	0.017	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-15.3	-176.9	0	0	0	0	0	114.9	F524 L565 D569 K574 T582 Y629	F524-A572 HydrophobicContact CB-CB 4.12Å; F524-A572 HydrophobicContact CD1-CB 4.32Å; L565-A572 HydrophobicContact CD1-CB 3.6Å; D569-A572 HydrophobicContact CB-CB 4.09Å; D569-A572 WeakPolarHBondContact O-CB 3.31Å; D569-A572 PolarHBondContact O-N 3.09Å; A572-K574 PolarHBondContact O-N 2.8Å; A572-T582 HydrophobicContact CB-CG2 4.17Å; A572-T582 PolarHBondContact O-OG1 2.82Å; A572-Y629 VanDerWaalsContact C-OH 3.29Å; A572-Y629 WeakPolarHBondContact CB-OH 3.35Å; A572-Y629 PolarHBondContact O-OH 2.86Å
573	H	91.5	Very high	94.8	Very high	77 Å²	77	59.5 Å²	59.5	36%	0.356	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.2	168.8	70.1	-81.7	0	0	0	113.2	E571 L575 Y629	E571-H573 PolarHBondContact O-N 2.73Å; E571-H573 IonicContact OE2-CE1 3.61Å; H573-L575 PolarHBondContact O-N 2.84Å; H573-Y629 VanDerWaalsContact CA-CE1 3.47Å; H573-Y629 VanDerWaalsContact CA-CZ 3.47Å; H573-Y629 HydrophobicContact CB-CD1 3.52Å; H573-Y629 HydrophobicContact CB-CE1 3.5Å; H573-Y629 VanDerWaalsContact CB-CE1 3.5Å; H573-Y629 HydrophobicContact CB-CG 4.1Å; H573-Y629 PolarHBondContact N-OH 2.88Å
574	K	94.4	Very high	94.7	Very high	142 Å²	142	58.1 Å²	58.1	62%	0.617	32%	0.321	S	S	*	.	S	Bend	trans	-79.8	70.8	170.5	-64.2	176.8	175.9	160.9	0	109.6	E571 A572	E571-K574 HydrophobicContact CB-CD 4.44Å; E571-K574 WeakPolarHBondContact O-CB 3.25Å; E571-K574 PolarHBondContact O-N 3.12Å; E571-K574 WeakPolarHBondContact OE2-CE 3.29Å; E571-K574 IonicContact OE2-NZ 3.27Å; E571-K574 PolarHBondContact OE2-NZ 2.85Å; A572-K574 PolarHBondContact O-N 2.8Å
575	L	95.6	Very high	94.7	Very high	49 Å²	49	54.3 Å²	54.3	26%	0.257	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-58.4	135.9	-176.4	-72.7	172.5	0	0	0	112	N563 H573 K579 H580 S581 Y629	N563-L575 HydrophobicContact CB-CD2 4.09Å; H573-L575 PolarHBondContact O-N 2.84Å; L575-K579 HydrophobicContact CB-CB 4.31Å; L575-K579 HydrophobicContact CD2-CB 4.18Å; L575-H580 VanDerWaalsContact CD1-C 3.46Å; L575-S581 WeakPolarHBondContact CD2-O 3.48Å; L575-Y629 HydrophobicContact CD1-CD2 3.79Å; L575-Y629 HydrophobicContact CD1-CE2 4.24Å; L575-Y629 HydrophobicContact CD2-CD2 4.25Å; L575-Y629 HydrophobicContact CD2-CE2 3.84Å; L575-Y629 HydrophobicContact CG-CD2 3.97Å; L575-Y629 HydrophobicContact CG-CE2 4.01Å
576	P	96.9	Very high	94.7	Very high	61 Å²	61	52.8 Å²	52.8	40%	0.396	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-58.2	157.4	168.4	-22.5	32.9	0	0	0	111.9	G578 K579	P576-G578 PolarHBondContact O-N 2.86Å; P576-K579 HydrophobicContact CB-CG 4.02Å; P576-K579 HydrophobicContact CG-CG 4.28Å; P576-K579 WeakPolarHBondContact O-CB 3.47Å; P576-K579 PolarHBondContact O-N 3.41Å
577	A	96.8	Very high	94.8	Very high	108 Å²	108	51.9 Å²	51.9	89%	0.893	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	130.6	178.7	0	0	0	0	0	111.7	K579	A577-K579 VanDerWaalsContact C-N 3.29Å; A577-K579 PolarHBondContact O-N 2.96Å
578	G	95.9	Very high	95.2	Very high	54 Å²	54	49.1 Å²	49.1	56%	0.557	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	0.2	-178.6	0	0	0	0	0	115.2	P576 H580	P576-G578 PolarHBondContact O-N 2.86Å; G578-H580 PolarHBondContact O-CE1 2.89Å; G578-H580 PolarHBondContact O-ND1 2.78Å
579	K	98.2	Very high	95.5	Very high	80 Å²	80	46.7 Å²	46.7	35%	0.348	26%	0.257	S	S	.	.			trans	-93.8	147.8	172.8	-58.1	-57.5	-168.3	166.7	0	111.1	D561 S562 N563 L575 P576 A577	D561-K579 HydrophobicContact CB-CD 4.03Å; D561-K579 CarbonylContact O-C 3.59Å; D561-K579 VanDerWaalsContact O-CA 3.27Å; D561-K579 WeakPolarHBondContact O-CA 3.46Å; D561-K579 WeakPolarHBondContact O-CD 3.4Å; S562-K579 WeakPolarHBondContact O-CD 3.02Å; S562-K579 WeakPolarHBondContact O-CE 3.48Å; S562-K579 PolarHBondContact O-NZ 3.49Å; N563-K579 HydrophobicContact CB-CB 4.28Å; N563-K579 HydrophobicContact CB-CG 4.18Å; L575-K579 HydrophobicContact CB-CB 4.31Å; L575-K579 HydrophobicContact CD2-CB 4.18Å; P576-K579 HydrophobicContact CB-CG 4.02Å; P576-K579 HydrophobicContact CG-CG 4.28Å; P576-K579 WeakPolarHBondContact O-CB 3.47Å; P576-K579 PolarHBondContact O-N 3.41Å; A577-K579 VanDerWaalsContact C-N 3.29Å; A577-K579 PolarHBondContact O-N 2.96Å
580	H	98.4	Very high	95.9	Very high	58 Å²	58	44.3 Å²	44.3	27%	0.269	25%	0.245	S	C	.	.			trans	-123.9	-19.2	-174.4	-44.3	85.8	0	0	0	113.1	L559 D561 L575 G578 Q633	L559-H580 WeakPolarHBondContact O-CB 3.42Å; D561-H580 PolarHBondContact N-ND1 3.42Å; D561-H580 VanDerWaalsContact N-ND1 3.15Å; D561-H580 PolarHBondContact O-N 3.18Å; D561-H580 IonicContact OD2-CE1 2.71Å; L575-H580 VanDerWaalsContact CD1-C 3.46Å; G578-H580 PolarHBondContact O-CE1 2.89Å; G578-H580 PolarHBondContact O-ND1 2.78Å; H580-Q633 PolarHBondContact O-NE2 2.86Å; H580-Q633 PolarHBondContact O-OE1 3.44Å
581	S	98.6	Very high	96.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	169.6	179	59.4	0	0	0	0	110.5	L559 S562 N563 L575 I627	L559-S581 PolarHBondContact O-OG 2.87Å; S562-S581 CarbonylContact C-O 3.52Å; S562-S581 WeakPolarHBondContact CA-O 3.17Å; S562-S581 PolarHBondContact OG-OG 2.76Å; N563-S581 PolarHBondContact N-O 3.43Å; L575-S581 WeakPolarHBondContact CD2-O 3.48Å; S581-I627 CarbonylContact C-O 3.54Å; S581-I627 WeakPolarHBondContact CA-O 3.43Å; S581-I627 VanDerWaalsContact CB-O 3.24Å; S581-I627 WeakPolarHBondContact CB-O 3.38Å
582	T	98.6	Very high	96.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	141.6	169.9	-67.5	0	0	0	0	109.7	F524 N563 L565 A572 I627 Y629	F524-T582 HydrophobicContact CB-CG2 4.09Å; F524-T582 HydrophobicContact CD1-CG2 3.94Å; F524-T582 HydrophobicContact CG-CG2 4.06Å; N563-T582 CarbonylContact O-C 3.54Å; N563-T582 WeakPolarHBondContact O-CA 3.5Å; L565-T582 HydrophobicContact CD1-CG2 3.7Å; L565-T582 HydrophobicContact CG-CG2 4.23Å; A572-T582 HydrophobicContact CB-CG2 4.17Å; A572-T582 PolarHBondContact O-OG1 2.82Å; T582-I627 HydrophobicContact CG2-CD1 4.26Å; T582-I627 PolarHBondContact N-O 3.26Å; T582-I627 PolarHBondContact O-N 2.94Å; T582-Y629 VanDerWaalsContact CB-OH 3.23Å; T582-Y629 WeakPolarHBondContact CB-OH 3.4Å; T582-Y629 WeakPolarHBondContact OG1-CE2 3.45Å; T582-Y629 PolarHBondContact OG1-OH 2.84Å
583	K	98.2	Very high	96.6	Very high	48 Å²	48	52.5 Å²	52.5	21%	0.209	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	110.5	172.9	-177.7	-175.8	172.4	-163.5	0	109.4	N563 E564 L565 L585 E625 F626	N563-K583 PolarHBondContact O-N 3.26Å; E564-K583 WeakPolarHBondContact CA-O 3.26Å; E564-K583 HydrophobicContact CG-CB 4.43Å; E564-K583 HydrophobicContact CG-CD 4.43Å; E564-K583 IonicContact OE1-NZ 3.24Å; E564-K583 PolarHBondContact OE1-NZ 3.32Å; L565-K583 PolarHBondContact N-O 2.81Å; K583-L585 HydrophobicContact CD-CD2 4.05Å; K583-L585 HydrophobicContact CG-CD2 4.25Å; K583-L585 PolarHBondContact O-N 3.1Å; K583-E625 CarbonylContact C-O 3.57Å; K583-E625 VanDerWaalsContact CA-O 3.26Å; K583-E625 WeakPolarHBondContact CA-O 3.4Å; K583-F626 HydrophobicContact CB-CD1 4.48Å; K583-F626 HydrophobicContact CD-CD1 4.42Å; K583-F626 HydrophobicContact CD-CE1 3.84Å; K583-F626 HydrophobicContact CG-CD1 4.07Å; K583-F626 HydrophobicContact CG-CE1 3.86Å; K583-F626 HydrophobicContact CG-CZ 4.48Å
584	G	97.3	Very high	96.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	120	168	0	0	0	0	0	109.1	G586 N624 E625	G584-G586 PolarHBondContact O-N 2.94Å; G584-N624 VanDerWaalsContact O-CA 3.25Å; G584-N624 WeakPolarHBondContact O-CA 3.31Å; G584-E625 PolarHBondContact N-O 3.1Å; G584-E625 PolarHBondContact O-N 3.13Å; G584-E625 VanDerWaalsContact O-N 3.07Å
585	L	96.6	Very high	97	Very high	27 Å²	27	47.5 Å²	47.5	14%	0.141	28%	0.281	C	S	.	.			trans	-84.4	109.1	-175.7	-68.2	-178.5	0	0	0	111	E564 L565 L566 K583 V613	E564-L585 HydrophobicContact CB-CD1 3.95Å; E564-L585 HydrophobicContact CB-CD2 4.25Å; E564-L585 HydrophobicContact CB-CG 4.08Å; E564-L585 HydrophobicContact CG-CD2 4.34Å; L565-L585 PolarHBondContact O-N 3.22Å; L566-L585 HydrophobicContact CD2-CB 4.14Å; L566-L585 HydrophobicContact CD2-CD1 3.9Å; K583-L585 HydrophobicContact CD-CD2 4.05Å; K583-L585 HydrophobicContact CG-CD2 4.25Å; K583-L585 PolarHBondContact O-N 3.1Å; L585-V613 HydrophobicContact CB-CG1 4.04Å; L585-V613 HydrophobicContact CB-CG2 4.06Å; L585-V613 HydrophobicContact CD1-CG2 4.35Å
586	G	95.8	Very high	97.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	155.1	176.5	0	0	0	0	0	113.7	G584 T588 T611 L621 N624	G584-G586 PolarHBondContact O-N 2.94Å; G586-T588 PolarHBondContact O-N 3.27Å; G586-T611 WeakPolarHBondContact O-CB 3.49Å; G586-T611 VanDerWaalsContact O-CG2 3.31Å; G586-T611 WeakPolarHBondContact O-CG2 3.49Å; G586-T611 PolarHBondContact O-OG1 2.78Å; G586-L621 CarbonylContact C-O 3.48Å; G586-L621 VanDerWaalsContact CA-O 3.25Å; G586-L621 WeakPolarHBondContact CA-O 3.43Å; G586-N624 PolarHBondContact N-OD1 3.27Å
587	L	94.9	Very high	97.2	Very high	45 Å²	45	49.6 Å²	49.6	24%	0.236	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	-24.1	171.3	-65.4	-179.6	0	0	0	112.7	K610 T611 V613 L621 L622	L587-K610 WeakPolarHBondContact O-CA 3.25Å; L587-K610 WeakPolarHBondContact O-CD 3.38Å; L587-T611 PolarHBondContact O-N 3.04Å; L587-T611 PolarHBondContact O-OG1 3.32Å; L587-V613 VanDerWaalsContact CD2-O 3.23Å; L587-V613 WeakPolarHBondContact CD2-O 3.1Å; L587-L621 WeakPolarHBondContact CG-O 3.42Å; L587-L621 PolarHBondContact N-O 3.27Å; L587-L622 HydrophobicContact CD1-CD2 4.38Å; L587-L622 PolarHBondContact N-O 3.03Å
588	T	96.4	Very high	97.2	Very high	16 Å²	16	45 Å²	45	10%	0.098	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133.4	180	-62.7	0	0	0	0	110.5	G586 V609 L622 Y623	G586-T588 PolarHBondContact O-N 3.27Å; T588-V609 WeakPolarHBondContact CA-O 3.13Å; T588-L622 PolarHBondContact N-O 3.11Å; T588-Y623 HydrophobicContact CG2-CD1 4.07Å; T588-Y623 HydrophobicContact CG2-CE1 3.77Å; T588-Y623 WeakPolarHBondContact O-CA 3.48Å
589	G	97.1	Very high	97	Very high	2 Å²	2	46.4 Å²	46.4	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	167	174.4	0	0	0	0	0	110.2	G608 V609	G589-G608 CarbonylContact O-C 3.57Å; G589-G608 WeakPolarHBondContact O-CA 3.35Å; G589-V609 PolarHBondContact N-O 2.8Å; G589-V609 VanDerWaalsContact N-O 3.13Å; G589-V609 PolarHBondContact O-N 2.71Å
590	P	97.9	Very high	96.8	Very high	12 Å²	12	44.8 Å²	44.8	8%	0.078	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	146	179.8	-21	32.7	0	0	0	112.1	T456 D532 M533 P592 P604 M605	T456-P590 HydrophobicContact CG2-CB 4.4Å; T456-P590 HydrophobicContact CG2-CG 4.08Å; D532-P590 HydrophobicContact CB-CG 3.93Å; D532-P590 WeakPolarHBondContact OD2-CD 3.22Å; M533-P590 HydrophobicContact SD-CG 4.01Å; P590-P592 WeakPolarHBondContact O-CD 3.49Å; P590-P604 HydrophobicContact CB-CB 4.16Å; P590-P604 WeakPolarHBondContact CB-O 3.28Å; P590-P604 HydrophobicContact CG-CB 4.15Å; P590-P604 VanDerWaalsContact CG-O 3.32Å; P590-P604 WeakPolarHBondContact CG-O 3.22Å; P590-M605 VanDerWaalsContact CB-O 3.28Å; P590-M605 WeakPolarHBondContact CB-O 3.21Å
591	D	97.4	Very high	96.7	Very high	34 Å²	34	42.2 Å²	42.2	18%	0.182	25%	0.245	C	C	.	.			trans	-63.1	115.2	176.3	-170.6	-20.8	0	0	0	110.6	K593 N594 P607 V609	D591-K593 PolarHBondContact O-N 2.91Å; D591-K593 WeakPolarHBondContact OD1-CB 3.14Å; D591-K593 WeakPolarHBondContact OD1-CG 3.29Å; D591-K593 PolarHBondContact OD1-N 3.43Å; D591-N594 PolarHBondContact O-N 2.65Å; D591-P607 PolarHBondContact N-O 3.35Å; D591-P607 VanDerWaalsContact N-O 3.08Å; D591-V609 HydrophobicContact CB-CG1 3.93Å; D591-V609 HydrophobicContact CB-CG2 4.05Å
592	P	94.9	Very high	96.7	Very high	106 Å²	106	45 Å²	45	69%	0.688	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-58.1	-22.6	-178.9	-24.4	35	0	0	0	113.8	P590 N594 A595	P590-P592 WeakPolarHBondContact O-CD 3.49Å; P592-N594 PolarHBondContact O-N 3.45Å; P592-A595 WeakPolarHBondContact O-CB 3.29Å; P592-A595 PolarHBondContact O-N 3.16Å
593	K	96.8	Very high	96.7	Very high	184 Å²	184	45 Å²	45	80%	0.8	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-69.4	-22.4	177.9	-63.5	173	-176.5	171.3	0	113.2	D591	D591-K593 PolarHBondContact O-N 2.91Å; D591-K593 WeakPolarHBondContact OD1-CB 3.14Å; D591-K593 WeakPolarHBondContact OD1-CG 3.29Å; D591-K593 PolarHBondContact OD1-N 3.43Å
594	N	97.5	Very high	96.7	Very high	68 Å²	68	43.8 Å²	43.8	36%	0.364	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-93.5	-1.8	-178.9	-63.7	-25.3	0	0	0	112.5	D591 P592 V596 M605 G606	D591-N594 PolarHBondContact O-N 2.65Å; P592-N594 PolarHBondContact O-N 3.45Å; N594-V596 PolarHBondContact O-N 2.85Å; N594-M605 HydrophobicContact CB-CB 3.97Å; N594-M605 VanDerWaalsContact O-CB 3.3Å; N594-M605 WeakPolarHBondContact O-CB 3.4Å; N594-M605 WeakPolarHBondContact O-CG 3.43Å; N594-G606 PolarHBondContact ND2-O 2.8Å
595	A	97.4	Very high	96.8	Very high	45 Å²	45	44.2 Å²	44.2	37%	0.372	26%	0.261	S	S	.	.			trans	-56.6	133.1	-179.8	0	0	0	0	0	111.3	P592 T602 V603	P592-A595 WeakPolarHBondContact O-CB 3.29Å; P592-A595 PolarHBondContact O-N 3.16Å; A595-T602 HydrophobicContact CB-CG2 4.16Å; A595-V603 WeakPolarHBondContact CA-O 3.1Å
596	V	98.1	Very high	96.7	Very high	53 Å²	53	43.2 Å²	43.2	32%	0.321	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	170.9	174.3	-57.2	0	0	0	0	109.9	V448 N594 V603 M605	V448-V596 HydrophobicContact CG1-CG2 4.18Å; N594-V596 PolarHBondContact O-N 2.85Å; V596-V603 HydrophobicContact CG2-CB 3.8Å; V596-V603 HydrophobicContact CG2-CG1 4.43Å; V596-V603 HydrophobicContact CG2-CG2 4.34Å; V596-V603 PolarHBondContact N-O 2.88Å; V596-V603 PolarHBondContact O-N 2.87Å; V596-M605 HydrophobicContact CG1-CG 4.33Å; V596-M605 HydrophobicContact CG2-CE 3.48Å; V596-M605 VanDerWaalsContact CG2-CE 3.48Å; V596-M605 HydrophobicContact CG2-CG 4.04Å
597	T	97.7	Very high	96.8	Very high	102 Å²	102	47 Å²	47	63%	0.626	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.7	174.2	-57.5	0	0	0	0	109.6	A601	T597-A601 WeakPolarHBondContact CA-O 3.15Å
598	L	97	Very high	96.9	Very high	10 Å²	10	46.3 Å²	46.3	5%	0.052	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	119.8	172.8	-174.1	65.7	0	0	0	108.2	E445 V448 I449 L492 G600 A601 V603 Y638	E445-L598 HydrophobicContact CB-CD1 4.49Å; E445-L598 HydrophobicContact CG-CD1 4.12Å; V448-L598 HydrophobicContact CG1-CD2 4.16Å; I449-L598 HydrophobicContact CG1-CD2 4.35Å; L492-L598 HydrophobicContact CD2-CD2 4.28Å; L598-G600 PolarHBondContact O-N 2.82Å; L598-G600 VanDerWaalsContact O-N 3.12Å; L598-A601 PolarHBondContact N-O 2.86Å; L598-A601 PolarHBondContact O-N 2.85Å; L598-V603 HydrophobicContact CB-CG2 3.66Å; L598-Y638 HydrophobicContact CD2-CE2 3.89Å
599	N	92.9	Very high	96.9	Very high	85 Å²	85	47.9 Å²	47.9	46%	0.455	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	35.4	-179.7	-66.3	-36.4	0	0	0	114.5	E445 A601 Y638	E445-N599 PolarHBondContact OE1-ND2 2.92Å; N599-A601 VanDerWaalsContact C-N 3.32Å; N599-A601 PolarHBondContact O-N 3.05Å; N599-Y638 PolarHBondContact ND2-OH 3.45Å
600	G	92.3	Very high	96.8	Very high	46 Å²	46	55.2 Å²	55.2	47%	0.474	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	-2.5	178.8	0	0	0	0	0	115.4	L598	L598-G600 PolarHBondContact O-N 2.82Å; L598-G600 VanDerWaalsContact O-N 3.12Å
601	A	97.6	Very high	96.6	Very high	3 Å²	3	57.4 Å²	57.4	3%	0.025	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	146.1	174	0	0	0	0	0	111.4	R490 E556 T597 L598 N599	R490-A601 WeakPolarHBondContact O-CA 3.43Å; E556-A601 HydrophobicContact CG-CB 3.95Å; T597-A601 WeakPolarHBondContact CA-O 3.15Å; L598-A601 PolarHBondContact N-O 2.86Å; L598-A601 PolarHBondContact O-N 2.85Å; N599-A601 VanDerWaalsContact C-N 3.32Å; N599-A601 PolarHBondContact O-N 3.05Å
602	T	98.5	Very high	96.2	Very high	59 Å²	59	59.3 Å²	59.3	36%	0.362	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	132	172.9	-60.1	0	0	0	0	110.3	R490 T491 L492 A595	R490-T602 PolarHBondContact O-N 2.82Å; T491-T602 CarbonylContact C-O 3.48Å; T491-T602 WeakPolarHBondContact CA-O 3.49Å; T491-T602 WeakPolarHBondContact CG2-O 3.46Å; L492-T602 PolarHBondContact N-O 2.91Å; A595-T602 HydrophobicContact CB-CG2 4.16Å
603	V	98.7	Very high	95.9	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	106.6	173	-172.3	0	0	0	0	108	Y452 L492 A595 V596 L598 M605	Y452-V603 HydrophobicContact CD1-CG1 3.46Å; Y452-V603 VanDerWaalsContact CD1-CG1 3.46Å; Y452-V603 HydrophobicContact CD2-CG1 4.08Å; Y452-V603 HydrophobicContact CE1-CG1 3.85Å; Y452-V603 HydrophobicContact CE2-CG1 4.45Å; Y452-V603 HydrophobicContact CG-CG1 3.61Å; L492-V603 HydrophobicContact CB-CG2 4.1Å; L492-V603 HydrophobicContact CD2-CG2 3.97Å; A595-V603 WeakPolarHBondContact CA-O 3.1Å; V596-V603 HydrophobicContact CG2-CB 3.8Å; V596-V603 HydrophobicContact CG2-CG1 4.43Å; V596-V603 HydrophobicContact CG2-CG2 4.34Å; V596-V603 PolarHBondContact N-O 2.88Å; V596-V603 PolarHBondContact O-N 2.87Å; L598-V603 HydrophobicContact CB-CG2 3.66Å; V603-M605 HydrophobicContact CB-CE 4.39Å; V603-M605 HydrophobicContact CG1-CE 3.72Å; V603-M605 HydrophobicContact CG1-SD 4.35Å; V603-M605 PolarHBondContact O-N 3.08Å
604	P	98.2	Very high	95.3	Very high	22 Å²	22	51.3 Å²	51.3	14%	0.143	34%	0.336	C	S	.	.			trans	-79.5	83.8	-174.3	32.2	-34.3	0	0	0	110.7	Y452 T491 L493 D532 P590	Y452-P604 HydrophobicContact CE2-CG 4.2Å; Y452-P604 WeakPolarHBondContact CE2-O 3.32Å; Y452-P604 WeakPolarHBondContact OH-CG 3.3Å; T491-P604 HydrophobicContact CG2-CG 4.13Å; L493-P604 HydrophobicContact CD2-CG 4.42Å; D532-P604 HydrophobicContact CB-CG 3.96Å; P590-P604 HydrophobicContact CB-CB 4.16Å; P590-P604 WeakPolarHBondContact CB-O 3.28Å; P590-P604 HydrophobicContact CG-CB 4.15Å; P590-P604 VanDerWaalsContact CG-O 3.32Å; P590-P604 WeakPolarHBondContact CG-O 3.22Å
605	M	98	Very high	94.5	Very high	8 Å²	8	49 Å²	49	4%	0.039	32%	0.323	C	S	.	.			trans	-66.2	146.3	-179.3	-64.9	-72.4	178.9	0	0	112.2	V448 R451 Y452 P590 N594 V596 V603	V448-M605 HydrophobicContact CB-CE 4.44Å; V448-M605 HydrophobicContact CG1-CE 3.48Å; V448-M605 VanDerWaalsContact CG1-CE 3.48Å; V448-M605 WeakPolarHBondContact O-CE 3.44Å; R451-M605 HydrophobicContact CG-SD 4.32Å; Y452-M605 VanDerWaalsContact CA-SD 3.59Å; Y452-M605 HydrophobicContact CD2-SD 4.17Å; Y452-M605 HydrophobicContact CG-SD 4.28Å; P590-M605 VanDerWaalsContact CB-O 3.28Å; P590-M605 WeakPolarHBondContact CB-O 3.21Å; N594-M605 HydrophobicContact CB-CB 3.97Å; N594-M605 VanDerWaalsContact O-CB 3.3Å; N594-M605 WeakPolarHBondContact O-CB 3.4Å; N594-M605 WeakPolarHBondContact O-CG 3.43Å; V596-M605 HydrophobicContact CG1-CG 4.33Å; V596-M605 HydrophobicContact CG2-CE 3.48Å; V596-M605 VanDerWaalsContact CG2-CE 3.48Å; V596-M605 HydrophobicContact CG2-CG 4.04Å; V603-M605 HydrophobicContact CB-CE 4.39Å; V603-M605 HydrophobicContact CG1-CE 3.72Å; V603-M605 HydrophobicContact CG1-SD 4.35Å; V603-M605 PolarHBondContact O-N 3.08Å
606	G	96.3	Very high	93.5	Very high	6 Å²	6	51.8 Å²	51.8	6%	0.062	34%	0.338	C	S	.	.			trans	-75.6	-167	173.9	0	0	0	0	0	113.7	S455 N594	S455-G606 WeakPolarHBondContact O-CA 3.29Å; S455-G606 PolarHBondContact OG-N 3Å; S455-G606 VanDerWaalsContact OG-N 3.14Å; N594-G606 PolarHBondContact ND2-O 2.8Å
607	P	97.1	Very high	92.3	Very high	80 Å²	80	56.3 Å²	56.3	52%	0.519	36%	0.361	S	S	.	.			cis	-69.5	166	2.8	30.9	-36.3	0	0	0	112.8	S455 D591	S455-P607 WeakPolarHBondContact O-CA 3.25Å; D591-P607 PolarHBondContact N-O 3.35Å; D591-P607 VanDerWaalsContact N-O 3.08Å
608	G	96.1	Very high	91.2	Very high	31 Å²	31	53.5 Å²	53.5	32%	0.32	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	130.4	171.1	0	0	0	0	0	111.5	G589	G589-G608 CarbonylContact O-C 3.57Å; G589-G608 WeakPolarHBondContact O-CA 3.35Å
609	V	97.1	Very high	90.2	Very high	48 Å²	48	63.4 Å²	63.4	29%	0.291	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	162.8	176	-62.4	0	0	0	0	110.5	T588 G589 D591 T611	T588-V609 WeakPolarHBondContact CA-O 3.13Å; G589-V609 PolarHBondContact N-O 2.8Å; G589-V609 VanDerWaalsContact N-O 3.13Å; G589-V609 PolarHBondContact O-N 2.71Å; D591-V609 HydrophobicContact CB-CG1 3.93Å; D591-V609 HydrophobicContact CB-CG2 4.05Å; V609-T611 PolarHBondContact O-N 2.91Å
610	K	96.1	Very high	89.6	Confident	157 Å²	157	61.2 Å²	61.2	68%	0.683	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	128.9	172.3	-66.6	-61.4	-176.1	-174.2	0	109.7	L587 G612	L587-K610 WeakPolarHBondContact O-CA 3.25Å; L587-K610 WeakPolarHBondContact O-CD 3.38Å; K610-G612 VanDerWaalsContact C-N 3.29Å; K610-G612 PolarHBondContact O-N 2.98Å
611	T	92.6	Very high	89.6	Confident	57 Å²	57	60.1 Å²	60.1	35%	0.35	36%	0.364	S	S	.	.			trans	-79.4	-12.7	-177.4	55	0	0	0	0	113.2	G586 L587 V609 V613	G586-T611 WeakPolarHBondContact O-CB 3.49Å; G586-T611 VanDerWaalsContact O-CG2 3.31Å; G586-T611 WeakPolarHBondContact O-CG2 3.49Å; G586-T611 PolarHBondContact O-OG1 2.78Å; L587-T611 PolarHBondContact O-N 3.04Å; L587-T611 PolarHBondContact O-OG1 3.32Å; V609-T611 PolarHBondContact O-N 2.91Å; T611-V613 PolarHBondContact O-N 2.98Å; T611-V613 WeakPolarHBondContact OG1-CB 3.34Å; T611-V613 VanDerWaalsContact OG1-CG2 3.31Å; T611-V613 WeakPolarHBondContact OG1-CG2 3.45Å; T611-V613 PolarHBondContact OG1-N 2.94Å
612	G	89.5	Confident	89.4	Confident	75 Å²	75	64.9 Å²	64.9	77%	0.773	39%	0.388	S	S	*	.			trans	77.9	3.1	-171.7	0	0	0	0	0	113.8	K610	K610-G612 VanDerWaalsContact C-N 3.29Å; K610-G612 PolarHBondContact O-N 2.98Å
613	V	88.6	Confident	89.3	Confident	32 Å²	32	62.6 Å²	62.6	19%	0.194	37%	0.373	C	S	.	.			trans	-69.9	134.7	174.5	175.9	0	0	0	0	109.6	L566 L585 L587 T611	L566-V613 HydrophobicContact CD2-CG1 3.35Å; L585-V613 HydrophobicContact CB-CG1 4.04Å; L585-V613 HydrophobicContact CB-CG2 4.06Å; L585-V613 HydrophobicContact CD1-CG2 4.35Å; L587-V613 VanDerWaalsContact CD2-O 3.23Å; L587-V613 WeakPolarHBondContact CD2-O 3.1Å; T611-V613 PolarHBondContact O-N 2.98Å; T611-V613 WeakPolarHBondContact OG1-CB 3.34Å; T611-V613 VanDerWaalsContact OG1-CG2 3.31Å; T611-V613 WeakPolarHBondContact OG1-CG2 3.45Å; T611-V613 PolarHBondContact OG1-N 2.94Å
614	S	83.6	Confident	89.2	Confident	89 Å²	89	63.1 Å²	63.1	62%	0.622	38%	0.376	S	S	*	.			trans	-136.5	129.6	171.5	63	0	0	0	0	109.5	P616	S614-P616 WeakPolarHBondContact O-CD 3.43Å
615	N	82.1	Confident	89.2	Confident	19 Å²	19	62.9 Å²	62.9	10%	0.102	37%	0.373	C	S	.	.			trans	-96.9	105.6	168.8	-170.3	-2.9	0	0	0	109.9	D567 N617 Y619 S620	D567-N615 PolarHBondContact OD1-ND2 2.74Å; D567-N615 PolarHBondContact OD2-ND2 2.96Å; N615-N617 PolarHBondContact O-N 3.11Å; N615-N617 PolarHBondContact OD1-N 3.11Å; N615-N617 VanDerWaalsContact OD1-N 3.15Å; N615-Y619 PolarHBondContact ND2-O 3.06Å; N615-S620 VanDerWaalsContact CB-OG 3.31Å; N615-S620 WeakPolarHBondContact CB-OG 3.45Å
616	P	76.5	Confident	89.2	Confident	105 Å²	105	63.2 Å²	63.2	68%	0.682	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-14.3	-179	29	-34.2	0	0	0	113.4	S614	S614-P616 WeakPolarHBondContact O-CD 3.43Å
617	N	72.8	Confident	89.3	Confident	148 Å²	148	63 Å²	63	79%	0.791	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	4.7	-167.2	-63.3	-33.5	0	0	0	114	N615	N615-N617 PolarHBondContact O-N 3.11Å; N615-N617 PolarHBondContact OD1-N 3.11Å; N615-N617 VanDerWaalsContact OD1-N 3.15Å
618	G	73.2	Confident	89.4	Confident	42 Å²	42	59.1 Å²	59.1	43%	0.433	35%	0.347	S	S	.	.	S	Bend	trans	175.8	-159	-174.6	0	0	0	0	0	116
619	Y	76.8	Confident	89.5	Confident	219 Å²	219	59.5 Å²	59.5	86%	0.859	34%	0.339	S	S	*	.			trans	-67.4	150.2	176.7	-66.2	-84.9	0	0	0	110.4	N615	N615-Y619 PolarHBondContact ND2-O 3.06Å
620	S	81	Confident	89.5	Confident	39 Å²	39	60.7 Å²	60.7	27%	0.273	34%	0.343	S	S	.	.			trans	-117.1	138.7	175.4	-61.7	0	0	0	0	109.7	N615 L622	N615-S620 VanDerWaalsContact CB-OG 3.31Å; N615-S620 WeakPolarHBondContact CB-OG 3.45Å; S620-L622 PolarHBondContact O-N 3.32Å
621	L	90.8	Very high	89.5	Confident	23 Å²	23	56 Å²	56	12%	0.12	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	132.6	166.7	-81.6	173.5	0	0	0	110.1	M523 F524 G586 L587	M523-L621 HydrophobicContact CE-CD2 4.09Å; M523-L621 HydrophobicContact SD-CD2 3.5Å; M523-L621 VanDerWaalsContact SD-CD2 3.5Å; M523-L621 HydrophobicContact SD-CG 4.27Å; F524-L621 HydrophobicContact CE2-CD1 3.91Å; F524-L621 HydrophobicContact CZ-CD1 3.73Å; G586-L621 CarbonylContact C-O 3.48Å; G586-L621 VanDerWaalsContact CA-O 3.25Å; G586-L621 WeakPolarHBondContact CA-O 3.43Å; L587-L621 WeakPolarHBondContact CG-O 3.42Å; L587-L621 PolarHBondContact N-O 3.27Å
622	L	93.4	Very high	89.8	Confident	102 Å²	102	54.3 Å²	54.3	53%	0.534	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-36.8	175.5	-68.4	178.7	0	0	0	111.8	L587 T588 S620	L587-L622 HydrophobicContact CD1-CD2 4.38Å; L587-L622 PolarHBondContact N-O 3.03Å; T588-L622 PolarHBondContact N-O 3.11Å; S620-L622 PolarHBondContact O-N 3.32Å
623	Y	96.8	Very high	90.2	Very high	12 Å²	12	51.2 Å²	51.2	5%	0.047	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	153	-174.9	-57.1	-69.5	0	0	0	110.8	A458 T460 M533 K536 T588	A458-Y623 HydrophobicContact CB-CE1 3.78Å; A458-Y623 HydrophobicContact CB-CE2 4.01Å; A458-Y623 WeakPolarHBondContact CB-OH 3.48Å; T460-Y623 WeakPolarHBondContact CB-OH 3.44Å; T460-Y623 VanDerWaalsContact CG2-OH 3.3Å; T460-Y623 WeakPolarHBondContact CG2-OH 3.43Å; T460-Y623 WeakPolarHBondContact OG1-CE2 3.46Å; T460-Y623 PolarHBondContact OG1-OH 3.31Å; M533-Y623 HydrophobicContact CE-CD1 4.44Å; M533-Y623 HydrophobicContact CE-CE1 4.34Å; M533-Y623 HydrophobicContact CG-CD1 3.95Å; M533-Y623 HydrophobicContact CG-CG 4.39Å; K536-Y623 PolarHBondContact NZ-O 3.09Å; T588-Y623 HydrophobicContact CG2-CD1 4.07Å; T588-Y623 HydrophobicContact CG2-CE1 3.77Å; T588-Y623 WeakPolarHBondContact O-CA 3.48Å
624	N	97.7	Very high	90.6	Very high	11 Å²	11	49.9 Å²	49.9	6%	0.059	28%	0.278	C	S	.	.			trans	-59.8	157.2	-179.8	-64.8	-35.6	0	0	0	112.8	D532 K536 G584 G586 F626	D532-N624 WeakPolarHBondContact OD2-CB 3.08Å; D532-N624 PolarHBondContact OD2-ND2 3.02Å; K536-N624 PolarHBondContact NZ-O 3.41Å; G584-N624 VanDerWaalsContact O-CA 3.25Å; G584-N624 WeakPolarHBondContact O-CA 3.31Å; G586-N624 PolarHBondContact N-OD1 3.27Å; N624-F626 HydrophobicContact CB-CE2 3.87Å; N624-F626 HydrophobicContact CB-CZ 4.18Å
625	E	97.6	Very high	91.3	Very high	17 Å²	17	47.9 Å²	47.9	8%	0.079	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	145.4	165.4	-63.4	-170.1	168	0	0	109.7	F524 K536 K583 G584 I627	F524-E625 HydrophobicContact CE2-CB 4.48Å; K536-E625 WeakPolarHBondContact CE-OE1 3.05Å; K536-E625 VanDerWaalsContact NZ-CD 3.34Å; K536-E625 IonicContact NZ-OE1 2.65Å; K536-E625 PolarHBondContact NZ-OE1 2.89Å; K583-E625 CarbonylContact C-O 3.57Å; K583-E625 VanDerWaalsContact CA-O 3.26Å; K583-E625 WeakPolarHBondContact CA-O 3.4Å; G584-E625 PolarHBondContact N-O 3.1Å; G584-E625 PolarHBondContact O-N 3.13Å; G584-E625 VanDerWaalsContact O-N 3.07Å; E625-I627 HydrophobicContact CB-CD1 3.87Å
626	F	98.6	Very high	92.1	Very high	16 Å²	16	47 Å²	47	7%	0.07	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.7	176.8	-56.3	-95.9	0	0	0	108.3	L493 F530 D532 L559 K583 N624	L493-F626 HydrophobicContact CD1-CB 3.64Å; L493-F626 HydrophobicContact CD1-CD1 4.19Å; L493-F626 HydrophobicContact CD1-CD2 3.79Å; L493-F626 HydrophobicContact CD1-CG 3.61Å; L493-F626 HydrophobicContact CD2-CD2 4Å; L493-F626 HydrophobicContact CD2-CE2 4.02Å; F530-F626 HydrophobicContact CB-CB 4.32Å; F530-F626 PolarHBondContact N-O 3.35Å; F530-F626 PolarHBondContact O-N 3.04Å; D532-F626 HydrophobicContact CB-CE2 3.74Å; D532-F626 HydrophobicContact CB-CZ 4.33Å; L559-F626 HydrophobicContact CD1-CD1 3.64Å; L559-F626 HydrophobicContact CD1-CE1 4.05Å; L559-F626 HydrophobicContact CD1-CG 4.5Å; L559-F626 HydrophobicContact CD2-CB 3.98Å; L559-F626 HydrophobicContact CD2-CD1 4.12Å; L559-F626 HydrophobicContact CD2-CG 4.46Å; K583-F626 HydrophobicContact CB-CD1 4.48Å; K583-F626 HydrophobicContact CD-CD1 4.42Å; K583-F626 HydrophobicContact CD-CE1 3.84Å; K583-F626 HydrophobicContact CG-CD1 4.07Å; K583-F626 HydrophobicContact CG-CE1 3.86Å; K583-F626 HydrophobicContact CG-CZ 4.48Å; N624-F626 HydrophobicContact CB-CE2 3.87Å; N624-F626 HydrophobicContact CB-CZ 4.18Å
627	I	98.6	Very high	93.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	124.8	-173.8	-53.8	88.2	0	0	0	108.4	F524 I528 Y529 S581 T582 E625 Y629	F524-I627 HydrophobicContact CB-CD1 3.82Å; F524-I627 HydrophobicContact CB-CG1 4.07Å; F524-I627 HydrophobicContact CD2-CD1 3.52Å; F524-I627 HydrophobicContact CD2-CG1 4.41Å; F524-I627 HydrophobicContact CE2-CD1 4.38Å; F524-I627 HydrophobicContact CG-CD1 3.88Å; I528-I627 WeakPolarHBondContact O-CA 3.45Å; Y529-I627 HydrophobicContact CD1-CD1 4.27Å; Y529-I627 HydrophobicContact CD1-CG1 3.56Å; Y529-I627 HydrophobicContact CD2-CG1 4.4Å; Y529-I627 HydrophobicContact CD2-CG2 4.39Å; Y529-I627 HydrophobicContact CE1-CD1 4.01Å; Y529-I627 HydrophobicContact CE1-CG1 3.39Å; Y529-I627 HydrophobicContact CE2-CG1 4.26Å; Y529-I627 HydrophobicContact CE2-CG2 4.11Å; Y529-I627 HydrophobicContact CG-CG1 4.06Å; S581-I627 CarbonylContact C-O 3.54Å; S581-I627 WeakPolarHBondContact CA-O 3.43Å; S581-I627 VanDerWaalsContact CB-O 3.24Å; S581-I627 WeakPolarHBondContact CB-O 3.38Å; T582-I627 HydrophobicContact CG2-CD1 4.26Å; T582-I627 PolarHBondContact N-O 3.26Å; T582-I627 PolarHBondContact O-N 2.94Å; E625-I627 HydrophobicContact CB-CD1 3.87Å; I627-Y629 HydrophobicContact CG2-CD1 4.16Å; I627-Y629 HydrophobicContact CG2-CE1 3.54Å; I627-Y629 HydrophobicContact CG2-CE2 4.42Å
628	V	98.5	Very high	94.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	143.4	169.5	-63.8	0	0	0	0	109.6	G527 I528 F530 V557 L559 Q633 T634	G527-V628 CarbonylContact C-O 3.58Å; G527-V628 WeakPolarHBondContact CA-O 3.33Å; I528-V628 HydrophobicContact CB-CG2 3.97Å; I528-V628 HydrophobicContact CD1-CG2 4.48Å; I528-V628 PolarHBondContact N-O 2.65Å; I528-V628 PolarHBondContact O-N 3.46Å; F530-V628 HydrophobicContact CE2-CG2 4Å; V557-V628 HydrophobicContact CG1-CG1 3.54Å; V557-V628 HydrophobicContact CG1-CG2 4.35Å; L559-V628 HydrophobicContact CD2-CG1 4.24Å; V628-Q633 HydrophobicContact CB-CB 4.01Å; V628-Q633 HydrophobicContact CG1-CB 3.98Å; V628-Q633 HydrophobicContact CG2-CB 4.3Å; V628-T634 HydrophobicContact CG2-CG2 3.5Å; V628-T634 VanDerWaalsContact CG2-CG2 3.5Å
629	Y	97.4	Very high	95.6	Very high	39 Å²	39	35.4 Å²	35.4	15%	0.153	17%	0.171	C	C	.	.	S	Bend	trans	-105.7	-3.7	-174.6	-54.8	-74.6	0	0	0	112.6	F524 K526 A572 H573 L575 T582 I627	F524-Y629 WeakPolarHBondContact O-CE1 3.41Å; F524-Y629 PolarHBondContact O-OH 2.88Å; K526-Y629 WeakPolarHBondContact O-CD1 3.43Å; A572-Y629 VanDerWaalsContact C-OH 3.29Å; A572-Y629 WeakPolarHBondContact CB-OH 3.35Å; A572-Y629 PolarHBondContact O-OH 2.86Å; H573-Y629 VanDerWaalsContact CA-CE1 3.47Å; H573-Y629 VanDerWaalsContact CA-CZ 3.47Å; H573-Y629 HydrophobicContact CB-CD1 3.52Å; H573-Y629 HydrophobicContact CB-CE1 3.5Å; H573-Y629 VanDerWaalsContact CB-CE1 3.5Å; H573-Y629 HydrophobicContact CB-CG 4.1Å; H573-Y629 PolarHBondContact N-OH 2.88Å; L575-Y629 HydrophobicContact CD1-CD2 3.79Å; L575-Y629 HydrophobicContact CD1-CE2 4.24Å; L575-Y629 HydrophobicContact CD2-CD2 4.25Å; L575-Y629 HydrophobicContact CD2-CE2 3.84Å; L575-Y629 HydrophobicContact CG-CD2 3.97Å; L575-Y629 HydrophobicContact CG-CE2 4.01Å; T582-Y629 VanDerWaalsContact CB-OH 3.23Å; T582-Y629 WeakPolarHBondContact CB-OH 3.4Å; T582-Y629 WeakPolarHBondContact OG1-CE2 3.45Å; T582-Y629 PolarHBondContact OG1-OH 2.84Å; I627-Y629 HydrophobicContact CG2-CD1 4.16Å; I627-Y629 HydrophobicContact CG2-CE1 3.54Å; I627-Y629 HydrophobicContact CG2-CE2 4.42Å
630	N	96.9	Very high	96.7	Very high	72 Å²	72	25 Å²	25	39%	0.385	13%	0.13	S	C	.	.	S	Bend	trans	-121.1	119.8	174.2	-177.6	-6.3	0	0	0	109.9	A632 Q633	N630-A632 PolarHBondContact O-N 2.91Å; N630-A632 VanDerWaalsContact O-N 3.1Å; N630-A632 WeakPolarHBondContact OD1-CB 3.23Å; N630-A632 PolarHBondContact OD1-N 2.77Å; N630-A632 VanDerWaalsContact OD1-CB 3.32Å; N630-Q633 HydrophobicContact CB-CG 4.33Å; N630-Q633 WeakPolarHBondContact O-CB 3.08Å; N630-Q633 PolarHBondContact O-N 3.32Å
631	P	96.8	Very high	97.5	Very high	58 Å²	58	24.8 Å²	24.8	38%	0.377	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-53.9	-28.8	176.4	-27.2	35.2	0	0	0	114.5	V512 I528 Q633 T634	V512-P631 HydrophobicContact CG2-CG 4.3Å; I528-P631 HydrophobicContact CD1-CB 4.16Å; I528-P631 HydrophobicContact CD1-CG 4.25Å; P631-Q633 PolarHBondContact O-N 3.1Å; P631-Q633 VanDerWaalsContact O-N 3.14Å; P631-T634 PolarHBondContact O-N 3.27Å; P631-T634 PolarHBondContact O-OG1 3.26Å
632	A	97.7	Very high	97.8	Very high	23 Å²	23	23.7 Å²	23.7	19%	0.19	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-63.9	-15	176.4	0	0	0	0	0	113.7	N482 F483 L484 N630 T634	N482-A632 WeakPolarHBondContact O-CB 3.47Å; F483-A632 CarbonylContact C-O 3.58Å; F483-A632 WeakPolarHBondContact CA-O 3.47Å; F483-A632 WeakPolarHBondContact CD2-O 3.46Å; L484-A632 HydrophobicContact CD1-CB 4.24Å; L484-A632 HydrophobicContact CD2-CB 4.14Å; L484-A632 HydrophobicContact CG-CB 3.85Å; L484-A632 PolarHBondContact N-O 2.86Å; N630-A632 PolarHBondContact O-N 2.91Å; N630-A632 VanDerWaalsContact O-N 3.1Å; N630-A632 WeakPolarHBondContact OD1-CB 3.23Å; N630-A632 PolarHBondContact OD1-N 2.77Å; N630-A632 VanDerWaalsContact OD1-CB 3.32Å; A632-T634 PolarHBondContact O-N 2.81Å
633	Q	98.4	Very high	98.1	Very high	10 Å²	10	21.3 Å²	21.3	5%	0.047	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-79.8	0.2	171.6	-67.6	176.2	-95.3	0	0	113.2	F483 L484 L487 V557 A558 H580 V628 N630 P631	F483-Q633 WeakPolarHBondContact CE2-O 3.21Å; L484-Q633 HydrophobicContact CD1-CG 3.82Å; L487-Q633 HydrophobicContact CD1-CG 4.21Å; V557-Q633 CarbonylContact C-O 3.59Å; V557-Q633 WeakPolarHBondContact CA-O 3.3Å; A558-Q633 HydrophobicContact CB-CB 4.42Å; A558-Q633 PolarHBondContact N-O 2.71Å; A558-Q633 PolarHBondContact O-NE2 3.37Å; H580-Q633 PolarHBondContact O-NE2 2.86Å; H580-Q633 PolarHBondContact O-OE1 3.44Å; V628-Q633 HydrophobicContact CB-CB 4.01Å; V628-Q633 HydrophobicContact CG1-CB 3.98Å; V628-Q633 HydrophobicContact CG2-CB 4.3Å; N630-Q633 HydrophobicContact CB-CG 4.33Å; N630-Q633 WeakPolarHBondContact O-CB 3.08Å; N630-Q633 PolarHBondContact O-N 3.32Å; P631-Q633 PolarHBondContact O-N 3.1Å; P631-Q633 VanDerWaalsContact O-N 3.14Å
634	T	98.2	Very high	98.1	Very high	4 Å²	4	20.9 Å²	20.9	3%	0.025	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	137.2	-177.3	68.4	0	0	0	0	110.7	I528 F530 V628 P631 A632	I528-T634 HydrophobicContact CD1-CG2 3.96Å; I528-T634 HydrophobicContact CG2-CG2 4.48Å; F530-T634 HydrophobicContact CE2-CG2 3.66Å; F530-T634 HydrophobicContact CZ-CG2 3.61Å; V628-T634 HydrophobicContact CG2-CG2 3.5Å; V628-T634 VanDerWaalsContact CG2-CG2 3.5Å; P631-T634 PolarHBondContact O-N 3.27Å; P631-T634 PolarHBondContact O-OG1 3.26Å; A632-T634 PolarHBondContact O-N 2.81Å
635	R	98.2	Very high	98.1	Very high	47 Å²	47	23 Å²	23	18%	0.177	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	118.2	169	-178.5	-178.9	-176.5	-152.5	3.5	109.1	D475 E479 F483 S555 E556 R637	D475-R635 IonicContact OD1-NH2 3.76Å; D475-R635 PolarHBondContact OD1-NH2 2.79Å; E479-R635 HydrophobicContact CG-CG 4.34Å; F483-R635 HydrophobicContact CB-CB 4.36Å; F483-R635 HydrophobicContact CD1-CB 4.37Å; F483-R635 HydrophobicContact CD2-CB 3.61Å; F483-R635 HydrophobicContact CE2-CB 3.91Å; F483-R635 HydrophobicContact CG-CB 3.87Å; F483-R635 HydrophobicContact CZ-CB 4.44Å; S555-R635 CarbonylContact C-O 3.46Å; S555-R635 VanDerWaalsContact CA-O 3.25Å; S555-R635 WeakPolarHBondContact CA-O 3.24Å; S555-R635 WeakPolarHBondContact CB-O 3.44Å; E556-R635 HydrophobicContact CB-CB 4.46Å; E556-R635 PolarHBondContact N-O 2.67Å; E556-R635 PolarHBondContact O-N 2.91Å; R635-R637 PolarHBondContact O-N 3Å
636	M	98.6	Very high	97.8	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	134.2	175.7	-62.4	-166.8	-70.7	0	0	109.2	V474 R476 E479 I505 L553	V474-M636 HydrophobicContact CB-CB 4.25Å; V474-M636 HydrophobicContact CG1-CB 3.74Å; V474-M636 HydrophobicContact CG1-CE 4.45Å; R476-M636 HydrophobicContact CB-CE 3.97Å; R476-M636 HydrophobicContact CG-CE 4.27Å; E479-M636 WeakPolarHBondContact OE2-CB 3.15Å; E479-M636 PolarHBondContact OE2-N 2.78Å; I505-M636 HydrophobicContact CG2-SD 3.87Å; L553-M636 HydrophobicContact CD1-CB 3.95Å; L553-M636 HydrophobicContact CD1-CG 3.98Å; L553-M636 HydrophobicContact CD1-SD 4.03Å; L553-M636 HydrophobicContact CD2-CG 3.85Å; L553-M636 HydrophobicContact CD2-SD 3.65Å; L553-M636 HydrophobicContact CG-CG 4.43Å
637	R	98.4	Very high	97	Very high	46 Å²	46	27 Å²	27	17%	0.174	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	-41.7	-177.3	-64.6	-61.9	-70.9	150.5	-2.2	113.1	S473 V474 L492 L554 E556 R635	S473-R637 CarbonylContact C-O 3.57Å; S473-R637 WeakPolarHBondContact CA-O 3.49Å; V474-R637 PolarHBondContact N-O 2.88Å; L492-R637 HydrophobicContact CD1-CB 4.1Å; L492-R637 HydrophobicContact CD1-CG 4.18Å; L554-R637 PolarHBondContact O-N 3.34Å; E556-R637 HydrophobicContact CB-CG 3.81Å; R635-R637 PolarHBondContact O-N 3Å
638	Y	98.8	Very high	95.4	Very high	5 Å²	5	31.8 Å²	31.8	2%	0.02	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	133.3	-178.6	-50.9	-80.3	0	0	0	112.1	L439 E445 I449 V471 F472 L492 L554 L598 N599	L439-Y638 HydrophobicContact CD1-CD1 3.92Å; L439-Y638 HydrophobicContact CD1-CE1 3.9Å; E445-Y638 PolarHBondContact OE1-OH 3.41Å; E445-Y638 WeakPolarHBondContact OE2-CE1 3.44Å; E445-Y638 PolarHBondContact OE2-OH 2.89Å; E445-Y638 VanDerWaalsContact OE2-OH 3.06Å; I449-Y638 HydrophobicContact CD1-CD1 3.52Å; I449-Y638 HydrophobicContact CD1-CD2 3.68Å; I449-Y638 HydrophobicContact CD1-CE1 3.8Å; I449-Y638 HydrophobicContact CD1-CE2 3.96Å; I449-Y638 HydrophobicContact CD1-CG 3.44Å; I449-Y638 VanDerWaalsContact CD1-CG 3.44Å; I449-Y638 HydrophobicContact CG1-CD2 4.42Å; V471-Y638 HydrophobicContact CG1-CD1 4.33Å; F472-Y638 CarbonylContact O-C 3.58Å; F472-Y638 WeakPolarHBondContact O-CA 3.39Å; L492-Y638 HydrophobicContact CD1-CD2 4.43Å; L492-Y638 HydrophobicContact CD2-CD2 4.27Å; L492-Y638 HydrophobicContact CD2-CE2 4.25Å; L554-Y638 HydrophobicContact CB-CD2 4.27Å; L554-Y638 HydrophobicContact CD1-CD2 4.49Å; L554-Y638 PolarHBondContact N-O 2.9Å; L554-Y638 PolarHBondContact O-N 3.23Å; L598-Y638 HydrophobicContact CD2-CE2 3.89Å; N599-Y638 PolarHBondContact ND2-OH 3.45Å
639	L	98.9	Very high	93.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.9	171.3	-174.6	70.7	0	0	0	108.2	L308 V471 F472 V474 W502 L506 L551	L308-L639 HydrophobicContact CD1-CD2 4.29Å; L308-L639 HydrophobicContact CD2-CD2 3.95Å; V471-L639 WeakPolarHBondContact CA-O 3.45Å; F472-L639 HydrophobicContact CB-CB 4.46Å; F472-L639 PolarHBondContact N-O 2.8Å; F472-L639 PolarHBondContact O-N 3.09Å; V474-L639 HydrophobicContact CG2-CB 3.73Å; W502-L639 HydrophobicContact CD2-CD1 4.38Å; W502-L639 HydrophobicContact CE3-CD1 3.75Å; W502-L639 HydrophobicContact CH2-CD1 4.13Å; W502-L639 HydrophobicContact CZ3-CD1 3.62Å; L506-L639 HydrophobicContact CD1-CD2 4.21Å; L506-L639 HydrophobicContact CD2-CD2 4.38Å; L551-L639 HydrophobicContact CB-CD1 4.18Å; L551-L639 HydrophobicContact CD1-CD1 4.45Å; L551-L639 HydrophobicContact CD1-CD2 4.29Å
640	L	98.8	Very high	91.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.8	179.8	-67.3	74.2	0	0	0	108.9	I449 L453 V468 D470 V471 W494 L551 L552 L554 I642	I449-L640 HydrophobicContact CG2-CD1 3.97Å; I449-L640 HydrophobicContact CG2-CD2 3.55Å; I449-L640 HydrophobicContact CG2-CG 3.89Å; L453-L640 HydrophobicContact CD1-CD2 4.39Å; V468-L640 HydrophobicContact CG2-CD2 4.5Å; D470-L640 WeakPolarHBondContact O-CA 3.28Å; V471-L640 HydrophobicContact CG1-CG 4.42Å; V471-L640 HydrophobicContact CG2-CG 4.15Å; W494-L640 HydrophobicContact CH2-CD1 4.47Å; W494-L640 HydrophobicContact CH2-CD2 3.71Å; W494-L640 HydrophobicContact CZ3-CD1 3.86Å; W494-L640 HydrophobicContact CZ3-CD2 3.63Å; W494-L640 HydrophobicContact CZ3-CG 4.35Å; L551-L640 VanDerWaalsContact CA-O 3.26Å; L551-L640 WeakPolarHBondContact CA-O 3.49Å; L552-L640 HydrophobicContact CB-CB 4.37Å; L552-L640 PolarHBondContact N-O 3.31Å; L552-L640 PolarHBondContact O-N 2.79Å; L554-L640 HydrophobicContact CD1-CD1 4.03Å; L554-L640 HydrophobicContact CG-CD1 4.11Å; L640-I642 HydrophobicContact CB-CG2 3.99Å
641	R	98.5	Very high	91.1	Very high	35 Å²	35	46.8 Å²	46.8	13%	0.132	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	116.2	163.8	-172.5	167.7	71.5	164.5	5.3	108.6	S307 L469 D470 F472 V549 L551	S307-R641 PolarHBondContact OG-NH1 2.92Å; L469-R641 HydrophobicContact CB-CG 4.38Å; L469-R641 WeakPolarHBondContact CB-O 3.33Å; L469-R641 HydrophobicContact CD1-CG 4.29Å; L469-R641 PolarHBondContact N-O 3.46Å; D470-R641 HydrophobicContact CB-CB 4.28Å; D470-R641 PolarHBondContact N-O 3.29Å; D470-R641 PolarHBondContact O-N 2.94Å; D470-R641 IonicContact OD2-CZ 3.07Å; D470-R641 IonicContact OD2-NE 3.32Å; D470-R641 PolarHBondContact OD2-NE 3Å; D470-R641 IonicContact OD2-NH2 3.27Å; D470-R641 PolarHBondContact OD2-NH2 2.82Å; F472-R641 HydrophobicContact CE2-CB 4.47Å; V549-R641 HydrophobicContact CG1-CG 3.92Å; L551-R641 HydrophobicContact CD2-CB 3.8Å; L551-R641 HydrophobicContact CD2-CG 3.9Å
642	I	98.1	Very high	90.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	145.9	-173.6	58.9	163.2	0	0	0	111.4	L453 M466 K467 V549 G550 L552 L640 F644	L453-I642 HydrophobicContact CD2-CG2 4.14Å; M466-I642 HydrophobicContact CG-CD1 4.39Å; M466-I642 HydrophobicContact SD-CD1 3.78Å; K467-I642 CarbonylContact O-C 3.44Å; K467-I642 WeakPolarHBondContact O-CA 3.36Å; V549-I642 WeakPolarHBondContact CA-O 3.34Å; G550-I642 PolarHBondContact N-O 2.8Å; G550-I642 VanDerWaalsContact O-CG1 3.28Å; G550-I642 WeakPolarHBondContact O-CG1 3.33Å; G550-I642 PolarHBondContact O-N 3.23Å; L552-I642 HydrophobicContact CD1-CD1 3.66Å; L552-I642 HydrophobicContact CG-CD1 3.75Å; L640-I642 HydrophobicContact CB-CG2 3.99Å; I642-F644 HydrophobicContact CD1-CD2 4.14Å; I642-F644 HydrophobicContact CG1-CZ 4.23Å; I642-F644 HydrophobicContact CG1-CE2 3.67Å; I642-F644 HydrophobicContact CG1-CD2 4.3Å; I642-F644 HydrophobicContact CD1-CZ 3.35Å; I642-F644 HydrophobicContact CD1-CE2 3.31Å; I642-F644 HydrophobicContact CD1-CE1 4.21Å
643	Q	97.9	Very high	90.4	Very high	51 Å²	51	47.5 Å²	47.5	24%	0.238	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	123.1	170	-167.4	-177.9	-40.1	0	0	109.2	M466 K467 L469 H548 N645	M466-Q643 CarbonylContact C-O 3.55Å; M466-Q643 WeakPolarHBondContact CA-O 3.49Å; K467-Q643 HydrophobicContact CB-CB 4.37Å; K467-Q643 PolarHBondContact N-O 2.94Å; K467-Q643 PolarHBondContact O-N 2.77Å; L469-Q643 HydrophobicContact CD1-CB 4.05Å; L469-Q643 HydrophobicContact CD2-CB 4.04Å; L469-Q643 HydrophobicContact CG-CB 4.02Å; H548-Q643 CarbonylContact O-C 3.54Å; H548-Q643 WeakPolarHBondContact O-CA 3.47Å; Q643-N645 PolarHBondContact NE2-OD1 2.97Å
644	F	98	Very high	89.9	Confident	3 Å²	3	49.7 Å²	49.7	1%	0.013	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	124.7	170.5	-66.8	-101.9	0	0	0	108.9	Y464 T465 M466 A538 C541 A543 H548 I642 Y646	Y464-F644 AromaticContact CD2-CD1 3.61Å; Y464-F644 HydrophobicContact CD2-CD1 3.61Å; Y464-F644 HydrophobicContact CD2-CE1 4.11Å; Y464-F644 AromaticContact CE2-CD1 3.84Å; Y464-F644 HydrophobicContact CE2-CD1 3.84Å; Y464-F644 AromaticContact CE2-CE1 3.84Å; Y464-F644 HydrophobicContact CE2-CE1 3.84Å; Y464-F644 HydrophobicContact CG-CD1 4.02Å; T465-F644 CarbonylContact O-C 3.58Å; T465-F644 WeakPolarHBondContact O-CA 3.23Å; M466-F644 HydrophobicContact CG-CD1 4.25Å; M466-F644 HydrophobicContact CG-CE1 4.28Å; M466-F644 HydrophobicContact SD-CE1 4.22Å; A538-F644 HydrophobicContact CB-CE1 3.79Å; A538-F644 HydrophobicContact CB-CZ 3.93Å; C541-F644 HydrophobicContact CB-CE2 4.13Å; C541-F644 HydrophobicContact CB-CZ 3.8Å; A543-F644 HydrophobicContact CB-CB 4.15Å; A543-F644 HydrophobicContact CB-CD1 4.1Å; A543-F644 HydrophobicContact CB-CD2 3.36Å; A543-F644 HydrophobicContact CB-CE1 4.34Å; A543-F644 HydrophobicContact CB-CE2 3.65Å; A543-F644 HydrophobicContact CB-CG 3.61Å; A543-F644 HydrophobicContact CB-CZ 4.13Å; H548-F644 WeakPolarHBondContact CB-O 3.13Å; H548-F644 PolarHBondContact O-N 3.37Å; I642-F644 HydrophobicContact CD1-CD2 4.14Å; I642-F644 HydrophobicContact CG1-CZ 4.23Å; I642-F644 HydrophobicContact CG1-CE2 3.67Å; I642-F644 HydrophobicContact CG1-CD2 4.3Å; I642-F644 HydrophobicContact CD1-CZ 3.35Å; I642-F644 HydrophobicContact CD1-CE2 3.31Å; I642-F644 HydrophobicContact CD1-CE1 4.21Å; F644-Y646 HydrophobicContact CB-CD2 4.27Å; F644-Y646 HydrophobicContact CB-CE2 3.58Å; F644-Y646 HydrophobicContact CG-CE2 4.44Å
645	N	96.3	Very high	89.4	Confident	56 Å²	56	52.6 Å²	52.6	30%	0.299	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	99	174.6	-42.7	-66.4	0	0	0	108.1	Y464 T465 Q643	Y464-N645 VanDerWaalsContact CA-O 3.32Å; Y464-N645 WeakPolarHBondContact CA-O 3.36Å; T465-N645 PolarHBondContact N-O 3.24Å; T465-N645 PolarHBondContact O-N 3.43Å; T465-N645 WeakPolarHBondContact OG1-CB 3.41Å; T465-N645 PolarHBondContact OG1-ND2 2.88Å; Q643-N645 PolarHBondContact NE2-OD1 2.97Å
646	Y	92.7	Very high	88.8	Confident	58 Å²	58	52.9 Å²	52.9	23%	0.227	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	133.4	172.9	-65.3	-84.5	0	0	0	109.5	Y464 A543 N544 Q545 F644	Y464-Y646 AromaticContact CD1-CE1 3.84Å; Y464-Y646 HydrophobicContact CD1-CE1 3.84Å; Y464-Y646 HydrophobicContact CG-CE1 4.15Å; A543-Y646 HydrophobicContact CB-CE2 4.44Å; A543-Y646 PolarHBondContact O-OH 2.91Å; N544-Y646 VanDerWaalsContact C-CE2 3.47Å; N544-Y646 VanDerWaalsContact CA-CE2 3.49Å; Q545-Y646 HydrophobicContact CG-CD2 4.3Å; Q545-Y646 HydrophobicContact CG-CG 4.15Å; F644-Y646 HydrophobicContact CB-CD2 4.27Å; F644-Y646 HydrophobicContact CB-CE2 3.58Å; F644-Y646 HydrophobicContact CG-CE2 4.44Å
647	S	82	Confident	88.1	Confident	59 Å²	59	56.6 Å²	56.6	41%	0.413	27%	0.27	S	S	.	.			trans	-70.3	140.9	164.1	46.3	0	0	0	0	108.5	L649	S647-L649 PolarHBondContact O-N 3.02Å
648	S	63.3	Low	87.4	Confident	101 Å²	101	57.5 Å²	57.5	71%	0.706	28%	0.278	S	S	*	.			trans	-69.2	84	166.9	-172.5	0	0	0	0	107.2	W650	S648-W650 PolarHBondContact O-N 2.74Å
649	L	57.7	Low	86.4	Confident	88 Å²	88	61.8 Å²	61.8	46%	0.461	30%	0.299	S	S	.	.			trans	-73.3	104.9	164	-69.8	161.5	0	0	0	104.7	S647	S647-L649 PolarHBondContact O-N 3.02Å
650	W	54.7	Low	85.3	Confident	291 Å²	291	67.5 Å²	67.5	100%	1.102	33%	0.327	S	S	*	.			trans	58.9	0	175.2	36.7	70.5	0	0	0	119.3	S648	S648-W650 PolarHBondContact O-N 2.74Å

Retrieved 650 of 650 residues in 1427.4 ms (Link to these results)

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