A0A024FSL3_ORENI Loading...

exo-alpha-sialidase

AlphaFold DB (I3JCG9), UniProt , Accession A0A024FSL3, Species ORENI (Oreochromis niloticus, Nile tilapia), Gene neu3a, Length 408 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	36	Very low	37.1	Very low	250 Å²	250	126.3 Å²	126.3	100%	1.232	78%	0.779	S	S	*	*				0	90	0	-66.3	179.9	-162.4	0	0	107.2
2	G	29	Very low	40.7	Very low	72 Å²	72	130.6 Å²	130.6	74%	0.742	78%	0.783	S	S	*	*			trans	-95.4	116.1	179	0	0	0	0	0	109.2	T4	G2-T4 PolarHBondContact O-N 3.29Å
3	N	31.9	Very low	44.4	Very low	171 Å²	171	125.2 Å²	125.2	91%	0.914	75%	0.745	S	S	*	*			trans	-75.9	100.3	168	-95.6	-5.7	0	0	0	108.3	S5	N3-S5 PolarHBondContact O-N 3.35Å
4	T	30.3	Very low	47.8	Very low	138 Å²	138	118.1 Å²	118.1	85%	0.847	70%	0.703	S	S	*	*			trans	-74.2	107.6	162.1	24.8	0	0	0	0	108.3	G2 S6	G2-T4 PolarHBondContact O-N 3.29Å; T4-S6 PolarHBondContact O-N 2.95Å
5	S	32.1	Very low	50.8	Low	109 Å²	109	117.7 Å²	117.7	76%	0.762	71%	0.705	S	S	*	*			trans	-66.8	116.8	163.8	49.5	0	0	0	0	108.3	N3 K7	N3-S5 PolarHBondContact O-N 3.35Å; S5-K7 PolarHBondContact O-N 3.45Å
6	S	32.8	Very low	53.6	Low	114 Å²	114	115.4 Å²	115.4	80%	0.797	68%	0.683	S	S	*	*			trans	-62.2	105.4	171.4	53.6	0	0	0	0	109.2	T4 G8	T4-S6 PolarHBondContact O-N 2.95Å; S6-G8 PolarHBondContact O-N 3.38Å
7	K	36	Very low	56.2	Low	206 Å²	206	112.5 Å²	112.5	90%	0.896	67%	0.667	S	S	*	*			trans	-63.5	104.4	163.1	-82.7	-179.2	175.1	178.8	0	107.3	S5	S5-K7 PolarHBondContact O-N 3.45Å
8	G	33.3	Very low	58.6	Low	62 Å²	62	109.4 Å²	109.4	64%	0.639	65%	0.649	S	S	*	*			trans	-63.7	132.8	168.8	0	0	0	0	0	109.3	S6 S10	S6-G8 PolarHBondContact O-N 3.38Å; G8-S10 VanDerWaalsContact C-N 3.32Å; G8-S10 PolarHBondContact O-N 3.13Å
9	D	41	Very low	60.7	Low	146 Å²	146	103.8 Å²	103.8	78%	0.781	62%	0.616	S	S	*	*			trans	-57.4	87.5	173.5	-166.3	20.8	0	0	0	109.9	G11	D9-G11 PolarHBondContact O-N 2.9Å
10	S	44.4	Very low	62.5	Low	88 Å²	88	98.8 Å²	98.8	62%	0.615	59%	0.586	S	S	*	*			trans	-96.2	88	179	65.3	0	0	0	0	109	G8 E12	G8-S10 VanDerWaalsContact C-N 3.32Å; G8-S10 PolarHBondContact O-N 3.13Å; S10-E12 PolarHBondContact O-N 3.29Å
11	G	61.8	Low	64.2	Low	33 Å²	33	100.4 Å²	100.4	34%	0.34	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-52.4	131.6	160.7	0	0	0	0	0	109.4	D9	D9-G11 PolarHBondContact O-N 2.9Å
12	E	80	Confident	67.2	Low	178 Å²	178	94 Å²	94	83%	0.832	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-59.3	141.9	-177.8	-161.8	170	-179.6	0	0	110.7	S10	S10-E12 PolarHBondContact O-N 3.29Å
13	E	89.1	Confident	70.5	Confident	61 Å²	61	93.5 Å²	93.5	29%	0.285	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-68.1	137.5	173.3	-75.5	-176.6	-163.8	0	0	109.1	K16 H355 R356	E13-K16 IonicContact OE2-NZ 2.8Å; E13-K16 PolarHBondContact OE2-NZ 3.1Å; E13-H355 IonicContact OE1-ND1 2.61Å; E13-H355 IonicContact OE2-ND1 3.38Å; E13-H355 PolarHBondContact OE2-ND1 3.02Å; E13-R356 VanDerWaalsContact OE1-CB 3.26Å; E13-R356 WeakPolarHBondContact OE1-CB 3.44Å; E13-R356 WeakPolarHBondContact OE1-CG 3.33Å; E13-R356 PolarHBondContact OE1-N 3.03Å
14	P	92	Very high	73.5	Confident	25 Å²	25	92.3 Å²	92.3	16%	0.162	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-60.2	149.8	173.9	26.9	-35.9	0	0	0	111.2	K16 I354 V391	P14-K16 WeakPolarHBondContact O-CG 3.5Å; P14-I354 WeakPolarHBondContact CD-O 3.19Å; P14-I354 HydrophobicContact CG-CB 4Å; P14-I354 HydrophobicContact CG-CG2 4.33Å; P14-V391 HydrophobicContact CB-CG1 3.7Å; P14-V391 HydrophobicContact CG-CG1 3.41Å; P14-V391 VanDerWaalsContact CG-CG1 3.41Å
15	P	93.3	Very high	76.6	Confident	113 Å²	113	89.7 Å²	89.7	73%	0.734	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-61.3	144.3	178.3	26.4	-34	0	0	0	111.1
16	K	95.3	Very high	79.6	Confident	80 Å²	80	85.3 Å²	85.3	35%	0.348	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.8	-173.8	-54.1	-173.8	-76.4	-146.7	0	110.6	E13 P14 H355 M377 A389 V391	E13-K16 IonicContact OE2-NZ 2.8Å; E13-K16 PolarHBondContact OE2-NZ 3.1Å; P14-K16 WeakPolarHBondContact O-CG 3.5Å; K16-H355 PolarHBondContact NZ-CE1 2.75Å; K16-H355 PolarHBondContact NZ-ND1 2.79Å; K16-M377 HydrophobicContact CD-CE 4.29Å; K16-A389 HydrophobicContact CB-CB 4.4Å; K16-V391 HydrophobicContact CB-CG2 4.14Å; K16-V391 HydrophobicContact CD-CG2 4.27Å; K16-V391 HydrophobicContact CG-CG2 3.65Å
17	T	97.6	Very high	82.7	Confident	66 Å²	66	81.8 Å²	81.8	41%	0.405	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	115.2	171.9	-55.2	0	0	0	0	109.7	L19 A389 F390	T17-L19 HydrophobicContact CG2-CD2 4.06Å; T17-L19 PolarHBondContact O-N 2.77Å; T17-A389 CarbonylContact O-C 3.56Å; T17-A389 WeakPolarHBondContact O-CA 3.35Å; T17-F390 PolarHBondContact N-O 2.95Å; T17-F390 PolarHBondContact O-N 3.08Å
18	T	98.3	Very high	85.7	Confident	58 Å²	58	72 Å²	72	36%	0.356	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	120.3	175.3	-52.4	0	0	0	0	110.4	E21 Q387	T18-E21 HydrophobicContact CG2-CB 3.89Å; T18-E21 HydrophobicContact CG2-CG 4.45Å; T18-Q387 HydrophobicContact CG2-CB 3.87Å; T18-Q387 PolarHBondContact OG1-OE1 3.23Å
19	L	98.5	Very high	88.8	Confident	2 Å²	2	70 Å²	70	1%	0.01	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-39.5	177.4	-61.8	-163	0	0	0	112	T17 A45 R64 W76 L376 I388 F390	T17-L19 HydrophobicContact CG2-CD2 4.06Å; T17-L19 PolarHBondContact O-N 2.77Å; L19-A45 HydrophobicContact CD1-CB 3.67Å; L19-R64 PolarHBondContact O-NE 3.28Å; L19-R64 PolarHBondContact O-NH2 3.13Å; L19-W76 HydrophobicContact CD1-CD2 4.15Å; L19-W76 HydrophobicContact CD1-CE3 4Å; L19-W76 HydrophobicContact CD1-CH2 3.56Å; L19-W76 HydrophobicContact CD1-CZ2 3.71Å; L19-W76 HydrophobicContact CD1-CZ3 3.7Å; L19-W76 HydrophobicContact CD2-CD2 3.58Å; L19-W76 HydrophobicContact CD2-CE3 4.14Å; L19-W76 HydrophobicContact CD2-CG 3.8Å; L19-W76 HydrophobicContact CD2-CZ2 4.15Å; L19-L376 HydrophobicContact CD1-CD2 3.65Å; L19-L376 HydrophobicContact CG-CD2 4.47Å; L19-I388 PolarHBondContact N-O 3.5Å; L19-F390 HydrophobicContact CD1-CB 3.86Å; L19-F390 HydrophobicContact CD2-CB 4.23Å; L19-F390 HydrophobicContact CG-CB 3.86Å
20	F	98.5	Very high	91.5	Very high	4 Å²	4	63.9 Å²	63.9	2%	0.018	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	121.8	177.9	-52.1	-77.3	0	0	0	108.2	Y29 A45 A47 V62 R64 Q387 I388	F20-Y29 HydrophobicContact CB-CD1 4.18Å; F20-Y29 HydrophobicContact CB-CD2 3.97Å; F20-Y29 HydrophobicContact CB-CG 3.64Å; F20-Y29 HydrophobicContact CD1-CD1 4.26Å; F20-Y29 HydrophobicContact CG-CD1 4.47Å; F20-Y29 HydrophobicContact CG-CG 4.38Å; F20-A45 HydrophobicContact CE2-CB 4.4Å; F20-A47 HydrophobicContact CD2-CB 3.92Å; F20-A47 HydrophobicContact CE2-CB 4.02Å; F20-A47 HydrophobicContact CG-CB 4.32Å; F20-A47 HydrophobicContact CZ-CB 4.49Å; F20-V62 HydrophobicContact CD1-CB 4.46Å; F20-V62 HydrophobicContact CD1-CG2 3.68Å; F20-V62 HydrophobicContact CE1-CB 3.92Å; F20-V62 HydrophobicContact CE1-CG2 3.45Å; F20-V62 VanDerWaalsContact CE1-CG2 3.45Å; F20-V62 HydrophobicContact CG-CG2 4.48Å; F20-V62 HydrophobicContact CZ-CG2 4.1Å; F20-R64 HydrophobicContact CE1-CG 3.92Å; F20-R64 HydrophobicContact CZ-CB 4.25Å; F20-R64 HydrophobicContact CZ-CG 3.93Å; F20-Q387 CarbonylContact O-C 3.58Å; F20-Q387 WeakPolarHBondContact O-CA 3.48Å; F20-Q387 WeakPolarHBondContact O-CB 3.3Å; F20-I388 HydrophobicContact CB-CB 4.26Å; F20-I388 HydrophobicContact CD2-CB 4.09Å; F20-I388 HydrophobicContact CD2-CD1 4.31Å; F20-I388 HydrophobicContact CD2-CG2 4.25Å; F20-I388 PolarHBondContact N-O 3.06Å; F20-I388 PolarHBondContact O-N 2.92Å
21	E	98.3	Very high	94.1	Very high	133 Å²	133	59.8 Å²	59.8	62%	0.621	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.9	-177.7	-170.7	173.2	-164.5	0	0	108.9	T18 E23 Y29	T18-E21 HydrophobicContact CG2-CB 3.89Å; T18-E21 HydrophobicContact CG2-CG 4.45Å; E21-E23 PolarHBondContact O-N 3.16Å; E21-Y29 VanDerWaalsContact O-CD2 3.27Å; E21-Y29 WeakPolarHBondContact O-CD2 3.44Å; E21-Y29 VanDerWaalsContact O-CE2 3.23Å; E21-Y29 WeakPolarHBondContact O-CE2 3.45Å
22	R	97.9	Very high	95.8	Very high	115 Å²	115	58.2 Å²	58.2	43%	0.434	31%	0.313	S	S	.	.			trans	-59.6	130.8	175.1	-178.6	-179.6	175.2	-169.7	-3	109.5	I27 E386	R22-I27 WeakPolarHBondContact CG-O 3.36Å; R22-E386 VanDerWaalsContact CB-O 3.29Å; R22-E386 WeakPolarHBondContact CB-O 3.42Å; R22-E386 PolarHBondContact N-O 3.08Å
23	E	97.4	Very high	96.7	Very high	61 Å²	61	49.8 Å²	49.8	29%	0.285	27%	0.273	S	S	.	.			trans	-85.1	150.1	-178	-59.6	177.8	-154.4	0	0	111.1	E21 S25 G26 I27 Y29	E21-E23 PolarHBondContact O-N 3.16Å; E23-S25 WeakPolarHBondContact CB-OG 3.45Å; E23-S25 PolarHBondContact O-N 3.3Å; E23-S25 VanDerWaalsContact O-N 3.08Å; E23-S25 PolarHBondContact OE2-OG 2.85Å; E23-G26 PolarHBondContact O-N 3.05Å; E23-I27 HydrophobicContact CB-CB 4.06Å; E23-I27 HydrophobicContact CG-CB 4.13Å; E23-I27 HydrophobicContact CG-CG2 4.3Å; E23-I27 PolarHBondContact N-O 2.93Å; E23-I27 WeakPolarHBondContact OE2-CD1 3.44Å; E23-Y29 HydrophobicContact CG-CE2 4.22Å; E23-Y29 PolarHBondContact OE1-OH 2.86Å
24	P	95.9	Very high	97.2	Very high	146 Å²	146	47 Å²	47	95%	0.948	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-24.6	173.1	-25.9	34.8	0	0	0	113.9	G26	P24-G26 PolarHBondContact O-N 2.62Å
25	S	95.7	Very high	97.5	Very high	83 Å²	83	46.5 Å²	46.5	58%	0.58	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-13	175.5	62.7	0	0	0	0	113.8	E23 I27	E23-S25 WeakPolarHBondContact CB-OG 3.45Å; E23-S25 PolarHBondContact O-N 3.3Å; E23-S25 VanDerWaalsContact O-N 3.08Å; E23-S25 PolarHBondContact OE2-OG 2.85Å; S25-I27 PolarHBondContact OG-N 2.8Å
26	G	94.6	Very high	97.7	Very high	18 Å²	18	42.1 Å²	42.1	19%	0.186	23%	0.226	C	C	.	.	S	Bend	trans	97.8	-7.9	-174.8	0	0	0	0	0	114.2	E23 P24 T28	E23-G26 PolarHBondContact O-N 3.05Å; P24-G26 PolarHBondContact O-N 2.62Å; G26-T28 PolarHBondContact O-N 3.13Å; G26-T28 PolarHBondContact O-OG1 3.03Å
27	I	97.9	Very high	97.7	Very high	39 Å²	39	38.3 Å²	38.3	20%	0.2	21%	0.209	C	C	.	.			trans	-58.4	126.9	172.9	-70.2	169.4	0	0	0	109.1	R22 E23 S25 Y29 K49 R50	R22-I27 WeakPolarHBondContact CG-O 3.36Å; E23-I27 HydrophobicContact CB-CB 4.06Å; E23-I27 HydrophobicContact CG-CB 4.13Å; E23-I27 HydrophobicContact CG-CG2 4.3Å; E23-I27 PolarHBondContact N-O 2.93Å; E23-I27 WeakPolarHBondContact OE2-CD1 3.44Å; S25-I27 PolarHBondContact OG-N 2.8Å; I27-Y29 HydrophobicContact CG2-CE2 3.97Å; I27-K49 HydrophobicContact CG2-CG 3.97Å; I27-R50 VanDerWaalsContact CA-O 3.32Å; I27-R50 WeakPolarHBondContact CA-O 3.48Å
28	T	98.1	Very high	97.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137.4	-175.3	-53.6	0	0	0	0	109.1	G26 R30 R50 L385	G26-T28 PolarHBondContact O-N 3.13Å; G26-T28 PolarHBondContact O-OG1 3.03Å; T28-R30 HydrophobicContact CG2-CG 3.94Å; T28-R50 PolarHBondContact N-O 3.31Å; T28-R50 WeakPolarHBondContact O-CB 3.46Å; T28-R50 PolarHBondContact O-N 2.9Å; T28-L385 HydrophobicContact CG2-CB 4.26Å
29	Y	98.6	Very high	97.2	Very high	21 Å²	21	42.1 Å²	42.1	8%	0.082	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.7	176.6	-60.9	-83.7	0	0	0	109.5	F20 E21 E23 I27 E48 K49 V62	F20-Y29 HydrophobicContact CB-CD1 4.18Å; F20-Y29 HydrophobicContact CB-CD2 3.97Å; F20-Y29 HydrophobicContact CB-CG 3.64Å; F20-Y29 HydrophobicContact CD1-CD1 4.26Å; F20-Y29 HydrophobicContact CG-CD1 4.47Å; F20-Y29 HydrophobicContact CG-CG 4.38Å; E21-Y29 VanDerWaalsContact O-CD2 3.27Å; E21-Y29 WeakPolarHBondContact O-CD2 3.44Å; E21-Y29 VanDerWaalsContact O-CE2 3.23Å; E21-Y29 WeakPolarHBondContact O-CE2 3.45Å; E23-Y29 HydrophobicContact CG-CE2 4.22Å; E23-Y29 PolarHBondContact OE1-OH 2.86Å; I27-Y29 HydrophobicContact CG2-CE2 3.97Å; Y29-E48 VanDerWaalsContact CA-O 3.26Å; Y29-E48 WeakPolarHBondContact CA-O 3.43Å; Y29-K49 HydrophobicContact CD1-CB 4.17Å; Y29-K49 HydrophobicContact CD1-CG 4.37Å; Y29-K49 HydrophobicContact CE1-CB 3.88Å; Y29-K49 HydrophobicContact CE1-CD 3.99Å; Y29-K49 HydrophobicContact CE1-CG 3.72Å; Y29-V62 HydrophobicContact CD1-CG2 3.55Å; Y29-V62 HydrophobicContact CE1-CB 4.45Å; Y29-V62 HydrophobicContact CE1-CG1 4.03Å; Y29-V62 HydrophobicContact CE1-CG2 3.7Å
30	R	98.6	Very high	97	Very high	17 Å²	17	43.8 Å²	43.8	6%	0.064	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	168.9	-174.5	-70.8	-144.8	69.1	-148.6	-11.2	112.4	T28 E48 E378 L385	T28-R30 HydrophobicContact CG2-CG 3.94Å; R30-E48 PolarHBondContact N-O 3.39Å; R30-E48 WeakPolarHBondContact O-CB 3.48Å; R30-E48 PolarHBondContact O-N 2.81Å; R30-E378 VanDerWaalsContact CA-OE1 3.23Å; R30-E378 WeakPolarHBondContact CA-OE1 3.03Å; R30-E378 WeakPolarHBondContact CB-OE1 3.43Å; R30-E378 IonicContact CZ-OE1 2.75Å; R30-E378 VanDerWaalsContact CZ-OE1 3.29Å; R30-E378 IonicContact CZ-OE2 3.19Å; R30-E378 IonicContact NE-OE1 2.7Å; R30-E378 PolarHBondContact NE-OE1 3.02Å; R30-E378 IonicContact NE-OE2 3.6Å; R30-E378 VanDerWaalsContact NH2-CD 3.28Å; R30-E378 IonicContact NH2-OE1 3.56Å; R30-E378 PolarHBondContact NH2-OE1 2.88Å; R30-E378 IonicContact NH2-OE2 3.98Å; R30-E378 PolarHBondContact NH2-OE2 3.07Å; R30-L385 VanDerWaalsContact CD-CD2 3.48Å; R30-L385 HydrophobicContact CG-CD2 4.19Å
31	I	98.6	Very high	96.8	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.5	68.7	170.7	-41.8	-54.4	0	0	0	110.9	E48 R50 P169 Y361 E378	I31-E48 HydrophobicContact CB-CG 4.15Å; I31-E48 HydrophobicContact CG1-CG 4.24Å; I31-E48 WeakPolarHBondContact CG1-OE1 3.46Å; I31-R50 VanDerWaalsContact CG1-NH2 3.32Å; I31-P169 HydrophobicContact CG2-CB 3.25Å; I31-P169 HydrophobicContact CG2-CG 3.47Å; I31-P169 VanDerWaalsContact CG2-CG 3.47Å; I31-Y361 HydrophobicContact CD1-CD2 3.59Å; I31-Y361 HydrophobicContact CD1-CE2 3.5Å; I31-Y361 HydrophobicContact CD1-CG 4.18Å; I31-Y361 HydrophobicContact CG2-CD2 4.31Å; I31-E378 PolarHBondContact N-OE1 2.64Å
32	P	98.8	Very high	96.7	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	143.3	179.6	27.9	-34	0	0	0	111.2	F46 L376 E378 I388	P32-F46 WeakPolarHBondContact CA-O 3.49Å; P32-L376 HydrophobicContact CB-CB 3.57Å; P32-L376 HydrophobicContact CB-CD1 3.88Å; P32-L376 HydrophobicContact CB-CG 4.39Å; P32-L376 HydrophobicContact CG-CB 4.39Å; P32-E378 HydrophobicContact CG-CG 4.43Å; P32-I388 HydrophobicContact CB-CD1 4.4Å; P32-I388 HydrophobicContact CB-CG2 3.94Å
33	A	98.9	Very high	96.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	141	165.1	0	0	0	0	0	109.9	F46 P95 P97 G170 D363 L376	A33-F46 HydrophobicContact CB-CB 4.26Å; A33-F46 PolarHBondContact N-O 3.02Å; A33-F46 PolarHBondContact O-N 2.94Å; A33-P95 HydrophobicContact CB-CB 3.99Å; A33-P95 HydrophobicContact CB-CG 3.8Å; A33-P95 WeakPolarHBondContact CB-O 3.26Å; A33-P97 HydrophobicContact CB-CG 4.34Å; A33-G170 WeakPolarHBondContact CB-O 3.36Å; A33-D363 VanDerWaalsContact CA-OD2 3.26Å; A33-D363 WeakPolarHBondContact CA-OD2 3.32Å; A33-L376 WeakPolarHBondContact O-CD1 3.46Å
34	L	98.7	Very high	96.8	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132.7	-172.1	-172.1	64.8	0	0	0	109.9	F43 A45 D363 A365 L376 F390	L34-F43 HydrophobicContact CD1-CB 4.15Å; L34-F43 HydrophobicContact CD1-CD1 3.81Å; L34-F43 HydrophobicContact CD1-CG 4.42Å; L34-F43 HydrophobicContact CD2-CD1 4.17Å; L34-F43 HydrophobicContact CD2-CE1 4.42Å; L34-F43 HydrophobicContact CG-CD1 4.1Å; L34-A45 HydrophobicContact CD1-CB 4.15Å; L34-D363 HydrophobicContact CB-CB 4.23Å; L34-D363 PolarHBondContact N-OD2 2.94Å; L34-A365 HydrophobicContact CD2-CB 3.68Å; L34-A365 HydrophobicContact CG-CB 4.03Å; L34-L376 HydrophobicContact CB-CD1 3.99Å; L34-L376 HydrophobicContact CB-CG 4.1Å; L34-L376 HydrophobicContact CD1-CD1 4.13Å; L34-L376 HydrophobicContact CD1-CG 4.09Å; L34-L376 HydrophobicContact CD2-CG 4.28Å; L34-L376 HydrophobicContact CG-CG 4.39Å; L34-F390 HydrophobicContact CD2-CE2 4.34Å
35	V	98.2	Very high	96.9	Very high	16 Å²	16	26.1 Å²	26.1	10%	0.097	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	137.2	167.7	63.2	0	0	0	0	109.6	L37 F43 L44 F46 P97 L106	V35-L37 HydrophobicContact CG2-CD2 4.3Å; V35-F43 WeakPolarHBondContact O-CA 3.46Å; V35-L44 HydrophobicContact CG1-CB 3.81Å; V35-L44 HydrophobicContact CG1-CD1 4.18Å; V35-L44 HydrophobicContact CG1-CG 4.29Å; V35-L44 PolarHBondContact N-O 2.94Å; V35-L44 VanDerWaalsContact N-O 3.13Å; V35-L44 PolarHBondContact O-N 2.95Å; V35-F46 HydrophobicContact CG1-CE2 4.17Å; V35-P97 HydrophobicContact CB-CB 4.05Å; V35-P97 HydrophobicContact CB-CG 3.92Å; V35-P97 HydrophobicContact CG1-CB 3.9Å; V35-P97 HydrophobicContact CG1-CG 4.06Å; V35-L106 HydrophobicContact CG1-CD1 4.08Å; V35-L106 HydrophobicContact CG2-CD1 4.5Å
36	Y	97.1	Very high	97	Very high	20 Å²	20	22.2 Å²	22.2	8%	0.078	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.2	174.9	179.4	-124.4	0	0	0	110.6	R38 H41 F43 N367	Y36-R38 HydrophobicContact CD1-CG 3.76Å; Y36-R38 HydrophobicContact CE1-CB 4.36Å; Y36-R38 HydrophobicContact CE1-CG 3.7Å; Y36-R38 PolarHBondContact O-N 3.27Å; Y36-H41 PolarHBondContact OH-ND1 3.02Å; Y36-F43 AromaticContact CD2-CD1 3.89Å; Y36-F43 HydrophobicContact CD2-CD1 3.89Å; Y36-F43 AromaticContact CD2-CD2 3.79Å; Y36-F43 HydrophobicContact CD2-CD2 3.79Å; Y36-F43 AromaticContact CD2-CE1 3.61Å; Y36-F43 HydrophobicContact CD2-CE1 3.61Å; Y36-F43 AromaticContact CD2-CE2 3.44Å; Y36-F43 HydrophobicContact CD2-CE2 3.44Å; Y36-F43 VanDerWaalsContact CD2-CE2 3.44Å; Y36-F43 AromaticContact CD2-CG 3.99Å; Y36-F43 HydrophobicContact CD2-CG 3.99Å; Y36-F43 AromaticContact CD2-CZ 3.37Å; Y36-F43 HydrophobicContact CD2-CZ 3.37Å; Y36-F43 HydrophobicContact CE2-CD2 4.15Å; Y36-F43 HydrophobicContact CE2-CE1 4.5Å; Y36-F43 AromaticContact CE2-CE2 3.61Å; Y36-F43 HydrophobicContact CE2-CE2 3.61Å; Y36-F43 AromaticContact CE2-CZ 3.83Å; Y36-F43 HydrophobicContact CE2-CZ 3.83Å; Y36-F43 HydrophobicContact CG-CD1 4.27Å; Y36-F43 AromaticContact CG-CE1 3.79Å; Y36-F43 HydrophobicContact CG-CE1 3.79Å; Y36-F43 HydrophobicContact CG-CE2 4.36Å; Y36-F43 AromaticContact CG-CZ 3.84Å; Y36-F43 HydrophobicContact CG-CZ 3.84Å; Y36-N367 HydrophobicContact CD1-CB 4.26Å; Y36-N367 HydrophobicContact CE1-CB 3.97Å
37	L	96.3	Very high	97.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	95.6	176.8	-57.4	-175.5	0	0	0	109.1	V35 H39 C40 H41 T42 L44 Y99 D140	V35-L37 HydrophobicContact CG2-CD2 4.3Å; L37-H39 VanDerWaalsContact C-N 3.33Å; L37-H39 PolarHBondContact O-N 2.65Å; L37-C40 PolarHBondContact O-N 2.8Å; L37-H41 PolarHBondContact O-N 2.69Å; L37-T42 WeakPolarHBondContact CB-O 3.42Å; L37-T42 PolarHBondContact N-O 3.14Å; L37-T42 PolarHBondContact O-N 3.44Å; L37-L44 HydrophobicContact CD1-CD1 3.98Å; L37-L44 HydrophobicContact CD1-CG 4.33Å; L37-Y99 HydrophobicContact CD2-CD1 4.37Å; L37-Y99 HydrophobicContact CD2-CD2 3.48Å; L37-Y99 VanDerWaalsContact CD2-CD2 3.48Å; L37-Y99 HydrophobicContact CD2-CE2 3.86Å; L37-Y99 HydrophobicContact CD2-CG 3.76Å; L37-D140 HydrophobicContact CD1-CB 3.7Å
38	R	92.9	Very high	97.3	Very high	119 Å²	119	19.5 Å²	19.5	45%	0.449	9%	0.089	S	C	.	.	G	3₁₀ helix	trans	-59.2	-40.4	-174.2	-65.3	-172.9	-178.6	177.7	-0.1	113.3	Y36 C40 H41 Y366	Y36-R38 HydrophobicContact CD1-CG 3.76Å; Y36-R38 HydrophobicContact CE1-CB 4.36Å; Y36-R38 HydrophobicContact CE1-CG 3.7Å; Y36-R38 PolarHBondContact O-N 3.27Å; R38-C40 PolarHBondContact O-N 3.31Å; R38-C40 VanDerWaalsContact O-N 3.14Å; R38-H41 PolarHBondContact O-N 2.77Å; R38-Y366 PolarHBondContact NH2-O 2.88Å
39	H	92.4	Very high	97.3	Very high	86 Å²	86	21.1 Å²	21.1	40%	0.398	10%	0.096	S	C	.	.	G	3₁₀ helix	trans	-65.9	-18	-174.8	65.9	-78	0	0	0	114.1	L37 Y99 D140	L37-H39 VanDerWaalsContact C-N 3.33Å; L37-H39 PolarHBondContact O-N 2.65Å; H39-Y99 AromaticContact CE1-CZ 3.53Å; H39-Y99 PolarHBondContact CE1-OH 3.25Å; H39-Y99 AromaticContact ND1-CE1 3.98Å; H39-Y99 AromaticContact ND1-CZ 3.78Å; H39-Y99 PolarHBondContact ND1-OH 3.43Å; H39-D140 IonicContact CD2-OD2 3.01Å; H39-D140 IonicContact CE1-OD1 2.65Å; H39-D140 PolarHBondContact CE1-OD1 3.21Å; H39-D140 IonicContact CE1-OD2 3.21Å; H39-D140 IonicContact NE2-OD1 3.09Å; H39-D140 PolarHBondContact NE2-OD1 2.81Å; H39-D140 IonicContact NE2-OD2 2.77Å; H39-D140 PolarHBondContact NE2-OD2 2.95Å
40	C	93.3	Very high	97.3	Very high	36 Å²	36	20.2 Å²	20.2	24%	0.243	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-132	16.5	178.7	63.2	0	0	0	0	112.9	L37 R38 T42 D140	L37-C40 PolarHBondContact O-N 2.8Å; R38-C40 PolarHBondContact O-N 3.31Å; R38-C40 VanDerWaalsContact O-N 3.14Å; C40-T42 PolarHBondContact O-N 3.22Å; C40-T42 VanDerWaalsContact O-N 3.1Å; C40-T42 PolarHBondContact O-OG1 3.12Å; C40-D140 PolarHBondContact SG-OD2 3.01Å; C40-D140 VanDerWaalsContact SG-OD2 3.38Å
41	H	94.4	Very high	97.2	Very high	83 Å²	83	22 Å²	22	38%	0.384	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	46	42.9	178.4	-58.1	-68.5	0	0	0	113.8	Y36 L37 R38 L68 D369	Y36-H41 PolarHBondContact OH-ND1 3.02Å; L37-H41 PolarHBondContact O-N 2.69Å; R38-H41 PolarHBondContact O-N 2.77Å; H41-L68 HydrophobicContact CB-CB 4.36Å; H41-L68 PolarHBondContact O-N 3.14Å; H41-D369 IonicContact CE1-OD2 3.74Å; H41-D369 PolarHBondContact CE1-OD2 3.22Å; H41-D369 IonicContact ND1-OD2 2.98Å
42	T	96.6	Very high	97.1	Very high	6 Å²	6	23.2 Å²	23.2	4%	0.037	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.4	-172.5	-65	0	0	0	0	111.9	L37 C40 L44 G66	L37-T42 WeakPolarHBondContact CB-O 3.42Å; L37-T42 PolarHBondContact N-O 3.14Å; L37-T42 PolarHBondContact O-N 3.44Å; C40-T42 PolarHBondContact O-N 3.22Å; C40-T42 VanDerWaalsContact O-N 3.1Å; C40-T42 PolarHBondContact O-OG1 3.12Å; T42-L44 HydrophobicContact CG2-CD2 4.12Å; T42-G66 CarbonylContact C-O 3.59Å; T42-G66 WeakPolarHBondContact CA-O 3.38Å
43	F	97.9	Very high	97	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	138.7	167.2	-68.1	-88.1	0	0	0	110.6	L34 V35 Y36 R65 G66 L68 M74 W76 A365 N367 F390	L34-F43 HydrophobicContact CD1-CB 4.15Å; L34-F43 HydrophobicContact CD1-CD1 3.81Å; L34-F43 HydrophobicContact CD1-CG 4.42Å; L34-F43 HydrophobicContact CD2-CD1 4.17Å; L34-F43 HydrophobicContact CD2-CE1 4.42Å; L34-F43 HydrophobicContact CG-CD1 4.1Å; V35-F43 WeakPolarHBondContact O-CA 3.46Å; Y36-F43 AromaticContact CD2-CD1 3.89Å; Y36-F43 HydrophobicContact CD2-CD1 3.89Å; Y36-F43 AromaticContact CD2-CD2 3.79Å; Y36-F43 HydrophobicContact CD2-CD2 3.79Å; Y36-F43 AromaticContact CD2-CE1 3.61Å; Y36-F43 HydrophobicContact CD2-CE1 3.61Å; Y36-F43 AromaticContact CD2-CE2 3.44Å; Y36-F43 HydrophobicContact CD2-CE2 3.44Å; Y36-F43 VanDerWaalsContact CD2-CE2 3.44Å; Y36-F43 AromaticContact CD2-CG 3.99Å; Y36-F43 HydrophobicContact CD2-CG 3.99Å; Y36-F43 AromaticContact CD2-CZ 3.37Å; Y36-F43 HydrophobicContact CD2-CZ 3.37Å; Y36-F43 HydrophobicContact CE2-CD2 4.15Å; Y36-F43 HydrophobicContact CE2-CE1 4.5Å; Y36-F43 AromaticContact CE2-CE2 3.61Å; Y36-F43 HydrophobicContact CE2-CE2 3.61Å; Y36-F43 AromaticContact CE2-CZ 3.83Å; Y36-F43 HydrophobicContact CE2-CZ 3.83Å; Y36-F43 HydrophobicContact CG-CD1 4.27Å; Y36-F43 AromaticContact CG-CE1 3.79Å; Y36-F43 HydrophobicContact CG-CE1 3.79Å; Y36-F43 HydrophobicContact CG-CE2 4.36Å; Y36-F43 AromaticContact CG-CZ 3.84Å; Y36-F43 HydrophobicContact CG-CZ 3.84Å; F43-R65 CarbonylContact O-C 3.51Å; F43-R65 WeakPolarHBondContact O-CA 3.42Å; F43-G66 PolarHBondContact N-O 3.3Å; F43-G66 PolarHBondContact O-N 2.94Å; F43-L68 HydrophobicContact CE2-CB 4.48Å; F43-M74 HydrophobicContact CD2-CE 3.53Å; F43-M74 HydrophobicContact CD2-SD 3.92Å; F43-M74 HydrophobicContact CE2-CE 3.4Å; F43-M74 VanDerWaalsContact CE2-CE 3.4Å; F43-M74 HydrophobicContact CE2-SD 4.37Å; F43-M74 HydrophobicContact CZ-CE 4.43Å; F43-W76 HydrophobicContact CB-CH2 3.8Å; F43-W76 HydrophobicContact CB-CZ3 4.32Å; F43-A365 HydrophobicContact CE1-CB 4.01Å; F43-N367 WeakPolarHBondContact CE1-OD1 3.47Å; F43-N367 WeakPolarHBondContact CZ-ND2 3.36Å; F43-N367 VanDerWaalsContact CZ-OD1 3.25Å; F43-N367 WeakPolarHBondContact CZ-OD1 3.15Å; F43-F390 HydrophobicContact CD1-CE2 4.18Å; F43-F390 HydrophobicContact CE1-CE2 4.32Å; F43-F390 HydrophobicContact CE2-CZ 4.44Å; F43-F390 HydrophobicContact CG-CE2 4.32Å; F43-F390 HydrophobicContact CZ-CZ 4.41Å
44	L	98.6	Very high	96.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	112.8	164.3	-52.9	177.3	0	0	0	107.7	V35 L37 T42 F46 M63 R65 L106	V35-L44 HydrophobicContact CG1-CB 3.81Å; V35-L44 HydrophobicContact CG1-CD1 4.18Å; V35-L44 HydrophobicContact CG1-CG 4.29Å; V35-L44 PolarHBondContact N-O 2.94Å; V35-L44 VanDerWaalsContact N-O 3.13Å; V35-L44 PolarHBondContact O-N 2.95Å; L37-L44 HydrophobicContact CD1-CD1 3.98Å; L37-L44 HydrophobicContact CD1-CG 4.33Å; T42-L44 HydrophobicContact CG2-CD2 4.12Å; L44-F46 HydrophobicContact CB-CE2 3.6Å; L44-F46 HydrophobicContact CB-CZ 3.82Å; L44-F46 HydrophobicContact CD1-CZ 4.31Å; L44-M63 HydrophobicContact CB-SD 4.36Å; L44-M63 HydrophobicContact CD2-SD 4.23Å; L44-R65 HydrophobicContact CD2-CB 4.21Å; L44-R65 HydrophobicContact CD2-CG 3.62Å; L44-L106 HydrophobicContact CD1-CD2 3.24Å
45	A	98.8	Very high	96.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.2	179	0	0	0	0	0	109.1	L19 F20 L34 M63 R64 W76 L376	L19-A45 HydrophobicContact CD1-CB 3.67Å; F20-A45 HydrophobicContact CE2-CB 4.4Å; L34-A45 HydrophobicContact CD1-CB 4.15Å; A45-M63 CarbonylContact O-C 3.49Å; A45-M63 WeakPolarHBondContact O-CA 3.4Å; A45-R64 PolarHBondContact N-O 3.44Å; A45-R64 PolarHBondContact O-N 2.89Å; A45-W76 HydrophobicContact CB-CH2 4.05Å; A45-W76 HydrophobicContact CB-CZ3 3.84Å; A45-L376 HydrophobicContact CB-CD1 3.77Å; A45-L376 HydrophobicContact CB-CD2 4.17Å
46	F	98.9	Very high	96.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	150.6	179.6	-55.7	-92	0	0	0	111	P32 A33 V35 L44 V62 M63 L82 P95 P97 L108 W144	P32-F46 WeakPolarHBondContact CA-O 3.49Å; A33-F46 HydrophobicContact CB-CB 4.26Å; A33-F46 PolarHBondContact N-O 3.02Å; A33-F46 PolarHBondContact O-N 2.94Å; V35-F46 HydrophobicContact CG1-CE2 4.17Å; L44-F46 HydrophobicContact CB-CE2 3.6Å; L44-F46 HydrophobicContact CB-CZ 3.82Å; L44-F46 HydrophobicContact CD1-CZ 4.31Å; F46-V62 WeakPolarHBondContact CA-O 3.47Å; F46-M63 HydrophobicContact CD1-CB 3.95Å; F46-M63 HydrophobicContact CD1-CG 3.78Å; F46-M63 HydrophobicContact CD1-SD 4.23Å; F46-M63 HydrophobicContact CE1-CB 4.08Å; F46-M63 HydrophobicContact CE1-CG 3.58Å; F46-M63 HydrophobicContact CE1-SD 3.41Å; F46-M63 WeakPolarHBondContact CE1-SD 3.39Å; F46-M63 HydrophobicContact CG-CG 4.44Å; F46-M63 HydrophobicContact CZ-CG 4.09Å; F46-M63 HydrophobicContact CZ-SD 3.7Å; F46-L82 HydrophobicContact CD1-CD1 4.12Å; F46-L82 HydrophobicContact CE1-CD1 4.01Å; F46-P95 HydrophobicContact CB-CB 4.04Å; F46-P95 HydrophobicContact CB-CG 4.2Å; F46-P97 HydrophobicContact CD2-CG 4.14Å; F46-P97 HydrophobicContact CE2-CB 4.1Å; F46-P97 HydrophobicContact CE2-CG 4.05Å; F46-L108 HydrophobicContact CD1-CD1 4.34Å; F46-L108 HydrophobicContact CD1-CD2 4.02Å; F46-L108 HydrophobicContact CE1-CD1 4.35Å; F46-L108 HydrophobicContact CE1-CD2 3.8Å; F46-L108 HydrophobicContact CG-CD1 4.46Å; F46-L108 HydrophobicContact CZ-CD1 4.49Å; F46-W144 HydrophobicContact CE1-CH2 4.03Å; F46-W144 AromaticContact CE1-CZ2 3.72Å; F46-W144 HydrophobicContact CE1-CZ2 3.72Å; F46-W144 AromaticContact CZ-CH2 3.83Å; F46-W144 HydrophobicContact CZ-CH2 3.83Å; F46-W144 AromaticContact CZ-CZ2 3.78Å; F46-W144 HydrophobicContact CZ-CZ2 3.78Å
47	A	98.8	Very high	96.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	155.9	168.4	0	0	0	0	0	110.8	F20 F61 V62 I388	F20-A47 HydrophobicContact CD2-CB 3.92Å; F20-A47 HydrophobicContact CE2-CB 4.02Å; F20-A47 HydrophobicContact CG-CB 4.32Å; F20-A47 HydrophobicContact CZ-CB 4.49Å; A47-F61 CarbonylContact O-C 3.49Å; A47-F61 WeakPolarHBondContact O-CA 3.48Å; A47-V62 HydrophobicContact CB-CG2 4.01Å; A47-V62 PolarHBondContact N-O 2.89Å; A47-V62 WeakPolarHBondContact O-CG2 3.38Å; A47-V62 PolarHBondContact O-N 2.73Å; A47-I388 HydrophobicContact CB-CD1 3.5Å; A47-I388 VanDerWaalsContact CB-CD1 3.5Å
48	E	98.6	Very high	96.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	129.1	164.5	-68.9	179.3	-162.4	0	0	110.4	Y29 R30 I31 R50 F61 M93 N94	Y29-E48 VanDerWaalsContact CA-O 3.26Å; Y29-E48 WeakPolarHBondContact CA-O 3.43Å; R30-E48 PolarHBondContact N-O 3.39Å; R30-E48 WeakPolarHBondContact O-CB 3.48Å; R30-E48 PolarHBondContact O-N 2.81Å; I31-E48 HydrophobicContact CB-CG 4.15Å; I31-E48 HydrophobicContact CG1-CG 4.24Å; I31-E48 WeakPolarHBondContact CG1-OE1 3.46Å; E48-R50 HydrophobicContact CB-CG 4.17Å; E48-R50 IonicContact OE1-NH2 3.85Å; E48-R50 IonicContact OE2-CZ 3.13Å; E48-R50 IonicContact OE2-NE 2.77Å; E48-R50 PolarHBondContact OE2-NE 2.98Å; E48-R50 IonicContact OE2-NH2 2.69Å; E48-R50 PolarHBondContact OE2-NH2 3.4Å; E48-F61 HydrophobicContact CG-CD1 4.1Å; E48-F61 HydrophobicContact CG-CE1 3.82Å; E48-M93 WeakPolarHBondContact OE1-CA 3.45Å; E48-M93 VanDerWaalsContact OE1-CB 3.29Å; E48-M93 WeakPolarHBondContact OE1-CB 3.44Å; E48-N94 PolarHBondContact OE1-N 3.24Å
49	K	98.3	Very high	96.5	Very high	35 Å²	35	34.2 Å²	34.2	15%	0.152	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	119.1	164	-176.7	171.8	-178.1	163.7	0	109	I27 Y29 K59 I60 V62 E81	I27-K49 HydrophobicContact CG2-CG 3.97Å; Y29-K49 HydrophobicContact CD1-CB 4.17Å; Y29-K49 HydrophobicContact CD1-CG 4.37Å; Y29-K49 HydrophobicContact CE1-CB 3.88Å; Y29-K49 HydrophobicContact CE1-CD 3.99Å; Y29-K49 HydrophobicContact CE1-CG 3.72Å; K49-K59 PolarHBondContact O-N 3.35Å; K49-I60 HydrophobicContact CB-CG1 4.32Å; K49-I60 PolarHBondContact N-O 3.25Å; K49-V62 HydrophobicContact CB-CG1 4.05Å; K49-V62 HydrophobicContact CD-CG1 4.08Å; K49-E81 IonicContact NZ-OE1 2.64Å; K49-E81 PolarHBondContact NZ-OE1 3.42Å
50	R	98.2	Very high	96.7	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143.2	-177.8	-47.7	-172.4	170.2	-174.1	-5.5	110.9	I27 T28 I31 E48 S52 P53 D55 D57 A58	I27-R50 VanDerWaalsContact CA-O 3.32Å; I27-R50 WeakPolarHBondContact CA-O 3.48Å; T28-R50 PolarHBondContact N-O 3.31Å; T28-R50 WeakPolarHBondContact O-CB 3.46Å; T28-R50 PolarHBondContact O-N 2.9Å; I31-R50 VanDerWaalsContact CG1-NH2 3.32Å; E48-R50 HydrophobicContact CB-CG 4.17Å; E48-R50 IonicContact OE1-NH2 3.85Å; E48-R50 IonicContact OE2-CZ 3.13Å; E48-R50 IonicContact OE2-NE 2.77Å; E48-R50 PolarHBondContact OE2-NE 2.98Å; E48-R50 IonicContact OE2-NH2 2.69Å; E48-R50 PolarHBondContact OE2-NH2 3.4Å; R50-S52 WeakPolarHBondContact CB-O 3.43Å; R50-S52 PolarHBondContact O-N 2.96Å; R50-P53 PolarHBondContact NH1-O 2.87Å; R50-D55 IonicContact CZ-OD1 3.43Å; R50-D55 IonicContact NH1-OD1 2.72Å; R50-D55 PolarHBondContact NH1-OD1 3.5Å; R50-D55 IonicContact NH2-OD1 3.34Å; R50-D55 PolarHBondContact NH2-OD1 3.06Å; R50-D57 WeakPolarHBondContact CA-O 3.36Å; R50-A58 HydrophobicContact CG-CB 4.2Å
51	S	97.4	Very high	96.9	Very high	55 Å²	55	29.8 Å²	29.8	39%	0.385	16%	0.163	S	C	.	.	S	Bend	trans	-73	-17.5	174.7	51.9	0	0	0	0	113.3	D57 K59	S51-D57 PolarHBondContact N-O 3.33Å; S51-D57 WeakPolarHBondContact OG-CB 3.33Å; S51-D57 PolarHBondContact OG-O 3.3Å; S51-K59 WeakPolarHBondContact OG-CE 3.26Å
52	S	96.8	Very high	97.1	Very high	26 Å²	26	25.8 Å²	25.8	18%	0.182	15%	0.145	C	C	.	.	S	Bend	trans	-151.2	172.9	169.5	91.3	0	0	0	0	109.2	R50 C54 D57	R50-S52 WeakPolarHBondContact CB-O 3.43Å; R50-S52 PolarHBondContact O-N 2.96Å; S52-C54 PolarHBondContact O-N 3.14Å; S52-C54 VanDerWaalsContact O-N 3.11Å; S52-C54 WeakPolarHBondContact OG-CB 3.23Å; S52-C54 PolarHBondContact OG-N 2.94Å; S52-C54 VanDerWaalsContact OG-N 3.15Å; S52-D57 WeakPolarHBondContact CB-OD2 3.38Å; S52-D57 PolarHBondContact OG-OD2 3.04Å
53	P	95.4	Very high	97.2	Very high	47 Å²	47	25.6 Å²	25.6	31%	0.305	14%	0.143	S	C	.	.	S	Bend	trans	-55	-23.8	173	-32.3	40.2	0	0	0	115.8	R50 L385	R50-P53 PolarHBondContact NH1-O 2.87Å; P53-L385 HydrophobicContact CB-CD1 3.88Å; P53-L385 HydrophobicContact CG-CD1 4.27Å
54	C	96.1	Very high	97.3	Very high	64 Å²	64	28.8 Å²	28.8	43%	0.432	16%	0.155	S	C	.	.	S	Bend	trans	-62.8	140	-175	-64.4	0	0	0	0	112.5	S52 N56 D57	S52-C54 PolarHBondContact O-N 3.14Å; S52-C54 VanDerWaalsContact O-N 3.11Å; S52-C54 WeakPolarHBondContact OG-CB 3.23Å; S52-C54 PolarHBondContact OG-N 2.94Å; S52-C54 VanDerWaalsContact OG-N 3.15Å; C54-N56 VanDerWaalsContact C-N 3.33Å; C54-N56 PolarHBondContact O-N 3.25Å; C54-D57 HydrophobicContact CB-CB 4.29Å; C54-D57 WeakPolarHBondContact O-CB 3.49Å; C54-D57 PolarHBondContact O-N 3.38Å; C54-D57 VanDerWaalsContact O-N 3.11Å
55	D	93.9	Very high	97.2	Very high	88 Å²	88	31.7 Å²	31.7	47%	0.471	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-59	-44	-179.2	-66.1	-23.2	0	0	0	112	R50 D57 A58 R91 M93	R50-D55 IonicContact CZ-OD1 3.43Å; R50-D55 IonicContact NH1-OD1 2.72Å; R50-D55 PolarHBondContact NH1-OD1 3.5Å; R50-D55 IonicContact NH2-OD1 3.34Å; R50-D55 PolarHBondContact NH2-OD1 3.06Å; D55-D57 PolarHBondContact O-N 3.47Å; D55-D57 VanDerWaalsContact O-N 3.07Å; D55-A58 WeakPolarHBondContact O-CB 3.36Å; D55-A58 PolarHBondContact O-N 3.28Å; D55-R91 VanDerWaalsContact C-NH1 3.29Å; D55-R91 PolarHBondContact O-NH1 3.39Å; D55-M93 HydrophobicContact CB-CE 4.03Å
56	N	95.4	Very high	97.2	Very high	48 Å²	48	31.7 Å²	31.7	26%	0.257	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-68.7	-2.8	-179.5	64.4	-67.8	0	0	0	115.1	C54 T118	C54-N56 VanDerWaalsContact C-N 3.33Å; C54-N56 PolarHBondContact O-N 3.25Å; N56-T118 HydrophobicContact CB-CG2 4.1Å
57	D	95.8	Very high	97	Very high	37 Å²	37	34.1 Å²	34.1	20%	0.198	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-102	3.2	177.6	-70.1	-12.2	0	0	0	113.2	R50 S51 S52 C54 D55	R50-D57 WeakPolarHBondContact CA-O 3.36Å; S51-D57 PolarHBondContact N-O 3.33Å; S51-D57 WeakPolarHBondContact OG-CB 3.33Å; S51-D57 PolarHBondContact OG-O 3.3Å; S52-D57 WeakPolarHBondContact CB-OD2 3.38Å; S52-D57 PolarHBondContact OG-OD2 3.04Å; C54-D57 HydrophobicContact CB-CB 4.29Å; C54-D57 WeakPolarHBondContact O-CB 3.49Å; C54-D57 PolarHBondContact O-N 3.38Å; C54-D57 VanDerWaalsContact O-N 3.11Å; D55-D57 PolarHBondContact O-N 3.47Å; D55-D57 VanDerWaalsContact O-N 3.07Å
58	A	96.3	Very high	96.8	Very high	2 Å²	2	35.7 Å²	35.7	2%	0.017	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	142.8	166.5	0	0	0	0	0	111.2	R50 D55 R91 M93	R50-A58 HydrophobicContact CG-CB 4.2Å; D55-A58 WeakPolarHBondContact O-CB 3.36Å; D55-A58 PolarHBondContact O-N 3.28Å; A58-R91 WeakPolarHBondContact O-CB 3.41Å; A58-M93 HydrophobicContact CB-CG 3.94Å
59	K	94.6	Very high	96.4	Very high	103 Å²	103	39.6 Å²	39.6	45%	0.448	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	-66.4	-177.8	-58.1	-61.7	177.8	-174.1	0	111.2	K49 S51	K49-K59 PolarHBondContact O-N 3.35Å; S51-K59 WeakPolarHBondContact OG-CE 3.26Å
60	I	96.8	Very high	95.9	Very high	29 Å²	29	47.2 Å²	47.2	15%	0.149	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	171.5	-171.6	59.8	174.8	0	0	0	109.4	K49 E81	K49-I60 HydrophobicContact CB-CG1 4.32Å; K49-I60 PolarHBondContact N-O 3.25Å; I60-E81 HydrophobicContact CD1-CB 3.79Å; I60-E81 HydrophobicContact CD1-CG 3.89Å; I60-E81 WeakPolarHBondContact CD1-OE2 3.35Å
61	F	98.3	Very high	95.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	149.2	167.7	-59	-45.5	0	0	0	112.2	A47 E48 L82 V85 P95 L108 F110	A47-F61 CarbonylContact O-C 3.49Å; A47-F61 WeakPolarHBondContact O-CA 3.48Å; E48-F61 HydrophobicContact CG-CD1 4.1Å; E48-F61 HydrophobicContact CG-CE1 3.82Å; F61-L82 HydrophobicContact CB-CB 4.3Å; F61-L82 HydrophobicContact CB-CD1 4.24Å; F61-L82 PolarHBondContact O-N 2.9Å; F61-V85 HydrophobicContact CD2-CG1 4.1Å; F61-V85 HydrophobicContact CE2-CG1 4.37Å; F61-P95 HydrophobicContact CD1-CB 4.35Å; F61-P95 HydrophobicContact CD1-CG 4.36Å; F61-P95 HydrophobicContact CE1-CB 4.06Å; F61-P95 HydrophobicContact CE1-CG 4.09Å; F61-P95 HydrophobicContact CE2-CB 4.42Å; F61-P95 HydrophobicContact CZ-CB 4.08Å; F61-L108 HydrophobicContact CD2-CD2 4.23Å; F61-F110 HydrophobicContact CE2-CB 3.53Å; F61-F110 AromaticContact CE2-CD1 4Å; F61-F110 HydrophobicContact CE2-CD1 4Å; F61-F110 HydrophobicContact CE2-CD2 4.22Å; F61-F110 AromaticContact CE2-CG 3.68Å; F61-F110 HydrophobicContact CE2-CG 3.68Å; F61-F110 HydrophobicContact CZ-CB 3.53Å; F61-F110 HydrophobicContact CZ-CG 4.14Å
62	V	98.6	Very high	94.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	149	160.9	-73.2	0	0	0	0	109.6	F20 Y29 F46 A47 K49 Q80 E81	F20-V62 HydrophobicContact CD1-CB 4.46Å; F20-V62 HydrophobicContact CD1-CG2 3.68Å; F20-V62 HydrophobicContact CE1-CB 3.92Å; F20-V62 HydrophobicContact CE1-CG2 3.45Å; F20-V62 VanDerWaalsContact CE1-CG2 3.45Å; F20-V62 HydrophobicContact CG-CG2 4.48Å; F20-V62 HydrophobicContact CZ-CG2 4.1Å; Y29-V62 HydrophobicContact CD1-CG2 3.55Å; Y29-V62 HydrophobicContact CE1-CB 4.45Å; Y29-V62 HydrophobicContact CE1-CG1 4.03Å; Y29-V62 HydrophobicContact CE1-CG2 3.7Å; F46-V62 WeakPolarHBondContact CA-O 3.47Å; A47-V62 HydrophobicContact CB-CG2 4.01Å; A47-V62 PolarHBondContact N-O 2.89Å; A47-V62 WeakPolarHBondContact O-CG2 3.38Å; A47-V62 PolarHBondContact O-N 2.73Å; K49-V62 HydrophobicContact CB-CG1 4.05Å; K49-V62 HydrophobicContact CD-CG1 4.08Å; V62-Q80 CarbonylContact C-O 3.49Å; V62-Q80 VanDerWaalsContact CA-O 3.27Å; V62-Q80 WeakPolarHBondContact CA-O 3.17Å; V62-E81 HydrophobicContact CG1-CG 3.89Å
63	M	98.6	Very high	94.5	Very high	1 Å²	1	54 Å²	54	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	143.8	178.9	-172.2	-170.5	65.5	0	0	110.6	L44 A45 F46 R65 Q80 L82 G141 W144	L44-M63 HydrophobicContact CB-SD 4.36Å; L44-M63 HydrophobicContact CD2-SD 4.23Å; A45-M63 CarbonylContact O-C 3.49Å; A45-M63 WeakPolarHBondContact O-CA 3.4Å; F46-M63 HydrophobicContact CD1-CB 3.95Å; F46-M63 HydrophobicContact CD1-CG 3.78Å; F46-M63 HydrophobicContact CD1-SD 4.23Å; F46-M63 HydrophobicContact CE1-CB 4.08Å; F46-M63 HydrophobicContact CE1-CG 3.58Å; F46-M63 HydrophobicContact CE1-SD 3.41Å; F46-M63 WeakPolarHBondContact CE1-SD 3.39Å; F46-M63 HydrophobicContact CG-CG 4.44Å; F46-M63 HydrophobicContact CZ-CG 4.09Å; F46-M63 HydrophobicContact CZ-SD 3.7Å; M63-R65 HydrophobicContact CE-CG 3.93Å; M63-Q80 PolarHBondContact N-O 3.47Å; M63-Q80 PolarHBondContact O-N 3.49Å; M63-L82 HydrophobicContact CB-CD1 4.08Å; M63-L82 HydrophobicContact CB-CD2 4.44Å; M63-L82 HydrophobicContact CB-CG 4.25Å; M63-G141 WeakPolarHBondContact CE-O 3.46Å; M63-W144 HydrophobicContact SD-CZ2 3.96Å
64	R	98.5	Very high	94.4	Very high	67 Å²	67	54 Å²	54	25%	0.253	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.6	162.9	-73.9	-172	-178.5	-146	10.1	110.3	L19 F20 A45 W76	L19-R64 PolarHBondContact O-NE 3.28Å; L19-R64 PolarHBondContact O-NH2 3.13Å; F20-R64 HydrophobicContact CE1-CG 3.92Å; F20-R64 HydrophobicContact CZ-CB 4.25Å; F20-R64 HydrophobicContact CZ-CG 3.93Å; A45-R64 PolarHBondContact N-O 3.44Å; A45-R64 PolarHBondContact O-N 2.89Å; R64-W76 HydrophobicContact CB-CE3 3.86Å; R64-W76 HydrophobicContact CB-CZ3 4.2Å
65	R	98.1	Very high	94.4	Very high	62 Å²	62	56.4 Å²	56.4	23%	0.234	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.5	174.4	-54.4	-177.3	65.2	-140	4.8	108.8	F43 L44 M63 W76 S77 D140	F43-R65 CarbonylContact O-C 3.51Å; F43-R65 WeakPolarHBondContact O-CA 3.42Å; L44-R65 HydrophobicContact CD2-CB 4.21Å; L44-R65 HydrophobicContact CD2-CG 3.62Å; M63-R65 HydrophobicContact CE-CG 3.93Å; R65-W76 CarbonylContact O-C 3.59Å; R65-W76 WeakPolarHBondContact O-CA 3.14Å; R65-S77 PolarHBondContact N-OG 3.18Å; R65-S77 PolarHBondContact O-N 3.01Å; R65-S77 PolarHBondContact O-OG 3.4Å; R65-D140 PolarHBondContact NH2-O 3.02Å
66	G	97.4	Very high	94.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.3	178.8	0	0	0	0	0	110.3	T42 F43 Q75	T42-G66 CarbonylContact C-O 3.59Å; T42-G66 WeakPolarHBondContact CA-O 3.38Å; F43-G66 PolarHBondContact N-O 3.3Å; F43-G66 PolarHBondContact O-N 2.94Å; G66-Q75 CarbonylContact C-O 3.49Å; G66-Q75 WeakPolarHBondContact CA-O 3.19Å
67	T	95.8	Very high	94.7	Very high	51 Å²	51	54.2 Å²	54.2	31%	0.313	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	121.9	176.2	-55.8	0	0	0	0	109.7	Q75	T67-Q75 PolarHBondContact N-O 3.35Å; T67-Q75 PolarHBondContact O-N 3.44Å
68	L	93.3	Very high	94.7	Very high	33 Å²	33	57.1 Å²	57.1	17%	0.173	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	121.4	171.5	-176.5	64.3	0	0	0	108.9	H41 F43 M74	H41-L68 HydrophobicContact CB-CB 4.36Å; H41-L68 PolarHBondContact O-N 3.14Å; F43-L68 HydrophobicContact CE2-CB 4.48Å; L68-M74 HydrophobicContact CB-CE 3.94Å; L68-M74 HydrophobicContact CB-SD 4.45Å; L68-M74 HydrophobicContact CD1-CE 3.75Å; L68-M74 HydrophobicContact CG-CE 4.41Å
69	K	91.3	Very high	94.7	Very high	82 Å²	82	59.4 Å²	59.4	36%	0.357	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-86	162.3	176.6	-58.9	-60.2	-176.8	-179.7	0	110.8	D71 G72 S73	K69-D71 VanDerWaalsContact CB-OD1 3.23Å; K69-D71 WeakPolarHBondContact CB-OD1 3.45Å; K69-D71 PolarHBondContact O-N 2.89Å; K69-G72 PolarHBondContact O-N 2.93Å; K69-S73 PolarHBondContact N-O 2.79Å
70	E	86.9	Confident	94.9	Very high	194 Å²	194	58.2 Å²	58.2	91%	0.907	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-33.4	179.2	-66	-179	179.2	0	0	112.8	G72	E70-G72 PolarHBondContact O-N 2.96Å
71	D	88	Confident	94.9	Very high	129 Å²	129	61.4 Å²	61.4	69%	0.69	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-0.5	175.6	69.6	-0.2	0	0	0	113.9	K69 S73	K69-D71 VanDerWaalsContact CB-OD1 3.23Å; K69-D71 WeakPolarHBondContact CB-OD1 3.45Å; K69-D71 PolarHBondContact O-N 2.89Å; D71-S73 VanDerWaalsContact C-N 3.3Å; D71-S73 WeakPolarHBondContact OD1-CB 3.32Å; D71-S73 PolarHBondContact OD1-N 2.81Å; D71-S73 PolarHBondContact OD1-OG 2.79Å; D71-S73 PolarHBondContact OD2-OG 3.26Å
72	G	84.9	Confident	94.9	Very high	43 Å²	43	61.6 Å²	61.6	44%	0.443	33%	0.327	S	S	.	.	S	Bend	trans	83.2	-1	-178.5	0	0	0	0	0	114.4	K69 E70	K69-G72 PolarHBondContact O-N 2.93Å; E70-G72 PolarHBondContact O-N 2.96Å
73	S	89.8	Confident	94.6	Very high	54 Å²	54	65.8 Å²	65.8	38%	0.378	36%	0.357	S	S	.	.			trans	-74.4	148.3	175.8	70.9	0	0	0	0	111.8	K69 D71	K69-S73 PolarHBondContact N-O 2.79Å; D71-S73 VanDerWaalsContact C-N 3.3Å; D71-S73 WeakPolarHBondContact OD1-CB 3.32Å; D71-S73 PolarHBondContact OD1-N 2.81Å; D71-S73 PolarHBondContact OD1-OG 2.79Å; D71-S73 PolarHBondContact OD2-OG 3.26Å
74	M	94.4	Very high	94.2	Very high	46 Å²	46	68.8 Å²	68.8	23%	0.227	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122.6	178	-168.8	59.3	63.6	0	0	110.4	F43 L68 W76 F390	F43-M74 HydrophobicContact CD2-CE 3.53Å; F43-M74 HydrophobicContact CD2-SD 3.92Å; F43-M74 HydrophobicContact CE2-CE 3.4Å; F43-M74 VanDerWaalsContact CE2-CE 3.4Å; F43-M74 HydrophobicContact CE2-SD 4.37Å; F43-M74 HydrophobicContact CZ-CE 4.43Å; L68-M74 HydrophobicContact CB-CE 3.94Å; L68-M74 HydrophobicContact CB-SD 4.45Å; L68-M74 HydrophobicContact CD1-CE 3.75Å; L68-M74 HydrophobicContact CG-CE 4.41Å; M74-W76 HydrophobicContact CG-CD2 4.38Å; M74-W76 HydrophobicContact CG-CG 4.46Å; M74-W76 HydrophobicContact CG-CZ2 3.95Å; M74-W76 HydrophobicContact SD-CZ2 4.38Å; M74-F390 HydrophobicContact CE-CE1 4.12Å; M74-F390 HydrophobicContact CE-CZ 3.9Å; M74-F390 HydrophobicContact CG-CE1 4.38Å
75	Q	96.1	Very high	94	Very high	116 Å²	116	65.6 Å²	65.6	54%	0.542	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	111.1	174.8	-172.7	-177.4	-2.1	0	0	110.6	G66 T67	G66-Q75 CarbonylContact C-O 3.49Å; G66-Q75 WeakPolarHBondContact CA-O 3.19Å; T67-Q75 PolarHBondContact N-O 3.35Å; T67-Q75 PolarHBondContact O-N 3.44Å
76	W	97.9	Very high	93.8	Very high	42 Å²	42	64.1 Å²	64.1	16%	0.159	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	137.7	178.3	-68.8	98.9	0	0	0	112.6	L19 F43 A45 R64 R65 M74 F390	L19-W76 HydrophobicContact CD1-CD2 4.15Å; L19-W76 HydrophobicContact CD1-CE3 4Å; L19-W76 HydrophobicContact CD1-CH2 3.56Å; L19-W76 HydrophobicContact CD1-CZ2 3.71Å; L19-W76 HydrophobicContact CD1-CZ3 3.7Å; L19-W76 HydrophobicContact CD2-CD2 3.58Å; L19-W76 HydrophobicContact CD2-CE3 4.14Å; L19-W76 HydrophobicContact CD2-CG 3.8Å; L19-W76 HydrophobicContact CD2-CZ2 4.15Å; F43-W76 HydrophobicContact CB-CH2 3.8Å; F43-W76 HydrophobicContact CB-CZ3 4.32Å; A45-W76 HydrophobicContact CB-CH2 4.05Å; A45-W76 HydrophobicContact CB-CZ3 3.84Å; R64-W76 HydrophobicContact CB-CE3 3.86Å; R64-W76 HydrophobicContact CB-CZ3 4.2Å; R65-W76 CarbonylContact O-C 3.59Å; R65-W76 WeakPolarHBondContact O-CA 3.14Å; M74-W76 HydrophobicContact CG-CD2 4.38Å; M74-W76 HydrophobicContact CG-CG 4.46Å; M74-W76 HydrophobicContact CG-CZ2 3.95Å; M74-W76 HydrophobicContact SD-CZ2 4.38Å; W76-F390 AromaticContact CH2-CD2 3.96Å; W76-F390 HydrophobicContact CH2-CD2 3.96Å; W76-F390 HydrophobicContact CH2-CE2 4.17Å; W76-F390 HydrophobicContact CH2-CG 4.44Å; W76-F390 HydrophobicContact CZ2-CB 4.12Å; W76-F390 AromaticContact CZ2-CD1 3.97Å; W76-F390 HydrophobicContact CZ2-CD1 3.97Å; W76-F390 AromaticContact CZ2-CD2 3.49Å; W76-F390 HydrophobicContact CZ2-CD2 3.49Å; W76-F390 VanDerWaalsContact CZ2-CD2 3.49Å; W76-F390 HydrophobicContact CZ2-CE1 4.23Å; W76-F390 AromaticContact CZ2-CE2 3.75Å; W76-F390 HydrophobicContact CZ2-CE2 3.75Å; W76-F390 AromaticContact CZ2-CG 3.58Å; W76-F390 HydrophobicContact CZ2-CG 3.58Å; W76-F390 HydrophobicContact CZ2-CZ 4.12Å
77	S	96.9	Very high	93.8	Very high	47 Å²	47	65.6 Å²	65.6	33%	0.329	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-71.7	169.3	167.5	74.6	0	0	0	0	111.6	R65	R65-S77 PolarHBondContact N-OG 3.18Å; R65-S77 PolarHBondContact O-N 3.01Å; R65-S77 PolarHBondContact O-OG 3.4Å
78	S	96.6	Very high	93.7	Very high	99 Å²	99	68 Å²	68	69%	0.692	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-60.2	157.3	162.4	53	0	0	0	0	111.1
79	S	96.8	Very high	93.8	Very high	49 Å²	49	72.1 Å²	72.1	34%	0.343	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-68.7	133.2	174	-171	0	0	0	0	110.7
80	Q	97.5	Very high	94.1	Very high	79 Å²	79	70 Å²	70	37%	0.369	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.6	174.8	-179.3	-179	-5.1	0	0	109.7	V62 M63 L82	V62-Q80 CarbonylContact C-O 3.49Å; V62-Q80 VanDerWaalsContact CA-O 3.27Å; V62-Q80 WeakPolarHBondContact CA-O 3.17Å; M63-Q80 PolarHBondContact N-O 3.47Å; M63-Q80 PolarHBondContact O-N 3.49Å; Q80-L82 HydrophobicContact CG-CD2 4.19Å
81	E	97.7	Very high	94.6	Very high	96 Å²	96	61.4 Å²	61.4	45%	0.449	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	129.2	169.5	-73.8	-173.6	-178.5	0	0	110.5	K49 I60 V62 S83	K49-E81 IonicContact NZ-OE1 2.64Å; K49-E81 PolarHBondContact NZ-OE1 3.42Å; I60-E81 HydrophobicContact CD1-CB 3.79Å; I60-E81 HydrophobicContact CD1-CG 3.89Å; I60-E81 WeakPolarHBondContact CD1-OE2 3.35Å; V62-E81 HydrophobicContact CG1-CG 3.89Å; E81-S83 VanDerWaalsContact C-N 3.34Å; E81-S83 PolarHBondContact O-N 2.73Å
82	L	97.3	Very high	95	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.016	33%	0.329	C	S	.	.			trans	-95.3	61	179.4	-58.8	-174	0	0	0	110.5	F46 F61 M63 Q80 S84 V85 L108	F46-L82 HydrophobicContact CD1-CD1 4.12Å; F46-L82 HydrophobicContact CE1-CD1 4.01Å; F61-L82 HydrophobicContact CB-CB 4.3Å; F61-L82 HydrophobicContact CB-CD1 4.24Å; F61-L82 PolarHBondContact O-N 2.9Å; M63-L82 HydrophobicContact CB-CD1 4.08Å; M63-L82 HydrophobicContact CB-CD2 4.44Å; M63-L82 HydrophobicContact CB-CG 4.25Å; Q80-L82 HydrophobicContact CG-CD2 4.19Å; L82-S84 VanDerWaalsContact C-N 3.27Å; L82-S84 PolarHBondContact O-N 2.85Å; L82-V85 HydrophobicContact CB-CB 4.08Å; L82-V85 HydrophobicContact CB-CG2 3.78Å; L82-V85 HydrophobicContact CD1-CG2 4.39Å; L82-V85 WeakPolarHBondContact O-CB 3.35Å; L82-V85 PolarHBondContact O-N 2.97Å; L82-L108 HydrophobicContact CD1-CD2 4.25Å
83	S	91.9	Very high	95.6	Very high	88 Å²	88	53.8 Å²	53.8	62%	0.615	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-25.6	-173	58.2	0	0	0	0	114.5	E81 V85	E81-S83 VanDerWaalsContact C-N 3.34Å; E81-S83 PolarHBondContact O-N 2.73Å; S83-V85 VanDerWaalsContact C-N 3.31Å
84	S	91.6	Very high	96	Very high	65 Å²	65	51.7 Å²	51.7	46%	0.455	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-14.1	174.4	57	0	0	0	0	113.6	L82 C86	L82-S84 VanDerWaalsContact C-N 3.27Å; L82-S84 PolarHBondContact O-N 2.85Å; S84-C86 PolarHBondContact O-N 3.11Å
85	V	94	Very high	96.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.284	C	S	.	.	S	Bend	trans	-87.2	64.7	179.5	-173.1	0	0	0	0	108.5	F61 L82 S83 T92 L108 F110 V135 W144	F61-V85 HydrophobicContact CD2-CG1 4.1Å; F61-V85 HydrophobicContact CE2-CG1 4.37Å; L82-V85 HydrophobicContact CB-CB 4.08Å; L82-V85 HydrophobicContact CB-CG2 3.78Å; L82-V85 HydrophobicContact CD1-CG2 4.39Å; L82-V85 WeakPolarHBondContact O-CB 3.35Å; L82-V85 PolarHBondContact O-N 2.97Å; S83-V85 VanDerWaalsContact C-N 3.31Å; V85-T92 WeakPolarHBondContact O-CG2 3.42Å; V85-T92 PolarHBondContact O-OG1 2.89Å; V85-L108 HydrophobicContact CG1-CD2 4.42Å; V85-F110 HydrophobicContact CG1-CD1 4.03Å; V85-F110 HydrophobicContact CG1-CE1 3.37Å; V85-F110 HydrophobicContact CG1-CE2 4.26Å; V85-F110 HydrophobicContact CG1-CZ 3.5Å; V85-V135 HydrophobicContact CB-CG1 4.47Å; V85-V135 HydrophobicContact CB-CG2 4.47Å; V85-V135 HydrophobicContact CG1-CG1 3.98Å; V85-V135 HydrophobicContact CG1-CG2 3.71Å; V85-V135 HydrophobicContact CG2-CG1 4.16Å; V85-V135 HydrophobicContact CG2-CG2 3.87Å; V85-W144 HydrophobicContact CG2-CB 4.49Å
86	C	94.3	Very high	96.3	Very high	30 Å²	30	44 Å²	44	20%	0.203	26%	0.259	C	S	.	.	S	Bend	trans	-162.7	148.7	176.6	-169	0	0	0	0	111.4	S84 H90 T92	S84-C86 PolarHBondContact O-N 3.11Å; C86-H90 PolarHBondContact SG-O 2.78Å; C86-T92 HydrophobicContact CB-CG2 3.94Å
87	L	96.4	Very high	96.4	Very high	31 Å²	31	42 Å²	42	16%	0.162	25%	0.251	C	S	.	.			trans	-81.6	147.9	167.2	-69	176.9	0	0	0	110.5	N89 H90 C112 R131 V147	L87-N89 PolarHBondContact O-N 3.01Å; L87-H90 HydrophobicContact CB-CB 4.08Å; L87-H90 WeakPolarHBondContact CB-ND1 3.26Å; L87-H90 WeakPolarHBondContact O-CB 3.37Å; L87-H90 PolarHBondContact O-N 3.13Å; L87-C112 HydrophobicContact CB-CB 4.34Å; L87-C112 HydrophobicContact CD1-CB 3.88Å; L87-C112 HydrophobicContact CG-CB 4.23Å; L87-R131 HydrophobicContact CD1-CB 4.08Å; L87-R131 HydrophobicContact CD1-CG 4.12Å; L87-V147 HydrophobicContact CD2-CB 4.26Å; L87-V147 HydrophobicContact CD2-CG1 3.82Å; L87-V147 HydrophobicContact CG-CG1 4.15Å
88	P	95.2	Very high	96.5	Very high	101 Å²	101	39.9 Å²	39.9	66%	0.656	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	133	177	-26.5	34.3	0	0	0	112.5	H90	P88-H90 PolarHBondContact O-CE1 3.12Å; P88-H90 PolarHBondContact O-N 2.94Å; P88-H90 PolarHBondContact O-ND1 3.24Å
89	N	95.3	Very high	96.5	Very high	121 Å²	121	36.7 Å²	36.7	65%	0.647	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	14.2	-177.9	-50.7	-60.7	0	0	0	115.8	L87 W114 G115	L87-N89 PolarHBondContact O-N 3.01Å; N89-W114 HydrophobicContact CB-CE3 4.37Å; N89-W114 HydrophobicContact CB-CH2 3.84Å; N89-W114 HydrophobicContact CB-CZ2 4.36Å; N89-W114 HydrophobicContact CB-CZ3 3.85Å; N89-G115 PolarHBondContact O-N 3.04Å
90	H	97.1	Very high	96.6	Very high	36 Å²	36	34.3 Å²	34.3	17%	0.167	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	161.9	173.3	-62.4	71.7	0	0	0	110.7	C86 L87 P88 C112 V113 W114	C86-H90 PolarHBondContact SG-O 2.78Å; L87-H90 HydrophobicContact CB-CB 4.08Å; L87-H90 WeakPolarHBondContact CB-ND1 3.26Å; L87-H90 WeakPolarHBondContact O-CB 3.37Å; L87-H90 PolarHBondContact O-N 3.13Å; P88-H90 PolarHBondContact O-CE1 3.12Å; P88-H90 PolarHBondContact O-N 2.94Å; P88-H90 PolarHBondContact O-ND1 3.24Å; H90-C112 HydrophobicContact CB-CB 3.82Å; H90-V113 VanDerWaalsContact CA-O 3.27Å; H90-V113 WeakPolarHBondContact CA-O 3.29Å; H90-W114 PolarHBondContact CD2-N 2.71Å; H90-W114 AromaticContact CE1-CE3 3.43Å; H90-W114 VanDerWaalsContact CE1-CE3 3.43Å; H90-W114 AromaticContact CE1-CZ3 3.88Å; H90-W114 AromaticContact NE2-CE3 3.69Å
91	R	96	Very high	96.5	Very high	14 Å²	14	36.6 Å²	36.6	5%	0.053	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	143.4	161.1	59.7	-169.9	176.4	99.7	11.3	109.2	D55 A58 M93 C112 V113 G115 T117	D55-R91 VanDerWaalsContact C-NH1 3.29Å; D55-R91 PolarHBondContact O-NH1 3.39Å; A58-R91 WeakPolarHBondContact O-CB 3.41Å; R91-M93 VanDerWaalsContact CZ-SD 3.59Å; R91-M93 PolarHBondContact NH1-SD 2.88Å; R91-C112 WeakPolarHBondContact O-CA 3.48Å; R91-V113 HydrophobicContact CG-CB 4.06Å; R91-V113 PolarHBondContact N-O 3.14Å; R91-V113 PolarHBondContact O-N 3.34Å; R91-G115 WeakPolarHBondContact CD-O 3.46Å; R91-G115 PolarHBondContact NE-O 2.78Å; R91-T117 PolarHBondContact NH2-O 2.99Å
92	T	96.7	Very high	96.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	141.9	173.5	41.9	0	0	0	0	112.6	V85 C86 F110 I111 C112	V85-T92 WeakPolarHBondContact O-CG2 3.42Å; V85-T92 PolarHBondContact O-OG1 2.89Å; C86-T92 HydrophobicContact CB-CG2 3.94Å; T92-F110 HydrophobicContact CG2-CD2 3.47Å; T92-F110 VanDerWaalsContact CG2-CD2 3.47Å; T92-F110 HydrophobicContact CG2-CE2 3.47Å; T92-F110 VanDerWaalsContact CG2-CE2 3.47Å; T92-I111 WeakPolarHBondContact CA-O 3.12Å; T92-C112 WeakPolarHBondContact CG2-SG 3.36Å
93	M	97.9	Very high	96.4	Very high	13 Å²	13	39.9 Å²	39.9	6%	0.064	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	163.1	-176.2	-56.7	-177.7	82.6	0	0	112.2	E48 D55 A58 R91 F110 I111 V113	E48-M93 WeakPolarHBondContact OE1-CA 3.45Å; E48-M93 VanDerWaalsContact OE1-CB 3.29Å; E48-M93 WeakPolarHBondContact OE1-CB 3.44Å; D55-M93 HydrophobicContact CB-CE 4.03Å; A58-M93 HydrophobicContact CB-CG 3.94Å; R91-M93 VanDerWaalsContact CZ-SD 3.59Å; R91-M93 PolarHBondContact NH1-SD 2.88Å; M93-F110 WeakPolarHBondContact O-CB 3.3Å; M93-I111 HydrophobicContact CB-CD1 4.26Å; M93-I111 HydrophobicContact CB-CG1 3.88Å; M93-I111 PolarHBondContact N-O 2.84Å; M93-I111 PolarHBondContact O-N 2.79Å; M93-I111 HydrophobicContact SD-CD1 4.44Å; M93-V113 HydrophobicContact SD-CG2 4.38Å
94	N	98.4	Very high	96.7	Very high	10 Å²	10	41.6 Å²	41.6	5%	0.053	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.4	67.9	173.5	-64.7	-32.7	0	0	0	112.4	E48 C96 A166 V167 P169	E48-N94 PolarHBondContact OE1-N 3.24Å; N94-C96 PolarHBondContact O-N 2.86Å; N94-A166 VanDerWaalsContact ND2-CB 3.31Å; N94-A166 WeakPolarHBondContact ND2-CB 3.45Å; N94-V167 WeakPolarHBondContact CB-O 3.35Å; N94-V167 WeakPolarHBondContact O-CG2 3.26Å; N94-P169 HydrophobicContact CB-CB 4.06Å
95	P	98.7	Very high	97	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	137.3	174.8	28.6	-32.5	0	0	0	109.9	A33 F46 F61 L108 F109 G170	A33-P95 HydrophobicContact CB-CB 3.99Å; A33-P95 HydrophobicContact CB-CG 3.8Å; A33-P95 WeakPolarHBondContact CB-O 3.26Å; F46-P95 HydrophobicContact CB-CB 4.04Å; F46-P95 HydrophobicContact CB-CG 4.2Å; F61-P95 HydrophobicContact CD1-CB 4.35Å; F61-P95 HydrophobicContact CD1-CG 4.36Å; F61-P95 HydrophobicContact CE1-CB 4.06Å; F61-P95 HydrophobicContact CE1-CG 4.09Å; F61-P95 HydrophobicContact CE2-CB 4.42Å; F61-P95 HydrophobicContact CZ-CB 4.08Å; P95-L108 HydrophobicContact CB-CD1 3.9Å; P95-F109 CarbonylContact C-O 3.54Å; P95-G170 PolarHBondContact O-N 3.48Å
96	C	98.9	Very high	97.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	84.4	178.9	-168.7	0	0	0	0	109.7	N94 F109 V167 G170 H171	N94-C96 PolarHBondContact O-N 2.86Å; C96-F109 HydrophobicContact CB-CB 4.21Å; C96-F109 PolarHBondContact N-O 3.19Å; C96-F109 WeakPolarHBondContact O-CB 3.22Å; C96-F109 PolarHBondContact O-N 3.34Å; C96-V167 HydrophobicContact CB-CB 4.35Å; C96-V167 HydrophobicContact CB-CG2 3.99Å; C96-G170 WeakPolarHBondContact CA-O 3.4Å; C96-H171 VanDerWaalsContact SG-C 3.53Å
97	P	98.8	Very high	97.4	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	146.7	177.5	30	-34.2	0	0	0	112.2	A33 V35 F46 L106 F107 L108 G170 G172	A33-P97 HydrophobicContact CB-CG 4.34Å; V35-P97 HydrophobicContact CB-CB 4.05Å; V35-P97 HydrophobicContact CB-CG 3.92Å; V35-P97 HydrophobicContact CG1-CB 3.9Å; V35-P97 HydrophobicContact CG1-CG 4.06Å; F46-P97 HydrophobicContact CD2-CG 4.14Å; F46-P97 HydrophobicContact CE2-CB 4.1Å; F46-P97 HydrophobicContact CE2-CG 4.05Å; P97-L106 HydrophobicContact CB-CD1 4.22Å; P97-F107 CarbonylContact C-O 3.57Å; P97-F107 WeakPolarHBondContact CA-O 2.82Å; P97-L108 HydrophobicContact CB-CD1 4.25Å; P97-G170 VanDerWaalsContact CD-O 3.26Å; P97-G170 WeakPolarHBondContact CD-O 3.1Å; P97-G172 PolarHBondContact O-N 2.91Å
98	V	98.7	Very high	97.5	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	139.7	166	68	0	0	0	0	109.4	F107 F109 L180 I182	V98-F107 HydrophobicContact CG1-CB 3.91Å; V98-F107 HydrophobicContact CG1-CD2 4.43Å; V98-F107 PolarHBondContact N-O 3.05Å; V98-F107 PolarHBondContact O-N 2.9Å; V98-F109 HydrophobicContact CG1-CD2 4.48Å; V98-F109 HydrophobicContact CG1-CE2 4.39Å; V98-L180 HydrophobicContact CG2-CD2 4.01Å; V98-I182 HydrophobicContact CB-CD1 3.81Å; V98-I182 HydrophobicContact CG1-CD1 3.42Å; V98-I182 VanDerWaalsContact CG1-CD1 3.42Å
99	Y	98.3	Very high	97.7	Very high	32 Å²	32	31.4 Å²	31.4	13%	0.125	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.6	178.4	-171.6	-110.6	0	0	0	110.7	L37 H39 K101 K104 L106 Q174	L37-Y99 HydrophobicContact CD2-CD1 4.37Å; L37-Y99 HydrophobicContact CD2-CD2 3.48Å; L37-Y99 VanDerWaalsContact CD2-CD2 3.48Å; L37-Y99 HydrophobicContact CD2-CE2 3.86Å; L37-Y99 HydrophobicContact CD2-CG 3.76Å; H39-Y99 AromaticContact CE1-CZ 3.53Å; H39-Y99 PolarHBondContact CE1-OH 3.25Å; H39-Y99 AromaticContact ND1-CE1 3.98Å; H39-Y99 AromaticContact ND1-CZ 3.78Å; H39-Y99 PolarHBondContact ND1-OH 3.43Å; Y99-K101 HydrophobicContact CD1-CG 3.95Å; Y99-K101 HydrophobicContact CE1-CG 4.28Å; Y99-K104 WeakPolarHBondContact OH-CA 3.06Å; Y99-K104 VanDerWaalsContact OH-CB 3.28Å; Y99-K104 WeakPolarHBondContact OH-CB 3.36Å; Y99-L106 HydrophobicContact CD2-CB 4.05Å; Y99-L106 HydrophobicContact CD2-CD1 4.42Å; Y99-Q174 PolarHBondContact O-OE1 2.93Å
100	E	98.2	Very high	97.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	105.4	174.2	-161.9	-62.9	111.1	0	0	108.1	N102 T103 K104 T105 F107 Q174 L180 F214	E100-N102 PolarHBondContact O-N 3.46Å; E100-N102 VanDerWaalsContact OE1-CB 3.22Å; E100-N102 WeakPolarHBondContact OE1-CB 3.5Å; E100-N102 PolarHBondContact OE1-N 3.2Å; E100-N102 PolarHBondContact OE1-OD1 3.41Å; E100-N102 PolarHBondContact OE2-N 2.9Å; E100-T103 WeakPolarHBondContact OE2-CA 3.42Å; E100-T103 WeakPolarHBondContact OE2-CB 3.15Å; E100-T103 VanDerWaalsContact OE2-CG2 3.25Å; E100-T103 WeakPolarHBondContact OE2-CG2 3.45Å; E100-T103 PolarHBondContact OE2-N 3.22Å; E100-T103 PolarHBondContact OE2-OG1 3Å; E100-K104 VanDerWaalsContact O-CA 3.29Å; E100-K104 WeakPolarHBondContact O-CA 3.42Å; E100-K104 PolarHBondContact O-N 3.4Å; E100-T105 WeakPolarHBondContact CB-O 2.93Å; E100-T105 PolarHBondContact N-O 2.95Å; E100-T105 PolarHBondContact O-N 2.85Å; E100-T105 VanDerWaalsContact O-N 3.08Å; E100-F107 HydrophobicContact CB-CD2 4.41Å; E100-F107 HydrophobicContact CB-CE2 4.04Å; E100-Q174 PolarHBondContact OE1-NE2 3.14Å; E100-L180 HydrophobicContact CB-CD1 4.01Å; E100-L180 HydrophobicContact CB-CD2 4.01Å; E100-L180 HydrophobicContact CG-CD1 3.78Å; E100-L180 HydrophobicContact CG-CD2 3.94Å; E100-L180 HydrophobicContact CG-CG 4.15Å; E100-F214 HydrophobicContact CG-CB 4.26Å
101	K	95.9	Very high	98	Very high	127 Å²	127	24.2 Å²	24.2	55%	0.552	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-32.2	-168.3	-63.6	164.3	-170.3	164.7	0	113	Y99 Q174	Y99-K101 HydrophobicContact CD1-CG 3.95Å; Y99-K101 HydrophobicContact CE1-CG 4.28Å; K101-Q174 VanDerWaalsContact CB-OE1 3.27Å
102	N	95.8	Very high	98.1	Very high	113 Å²	113	23.6 Å²	23.6	60%	0.604	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-42	-172.8	-63.1	77.2	0	0	0	111.9	E100 Q174 F214	E100-N102 PolarHBondContact O-N 3.46Å; E100-N102 VanDerWaalsContact OE1-CB 3.22Å; E100-N102 WeakPolarHBondContact OE1-CB 3.5Å; E100-N102 PolarHBondContact OE1-N 3.2Å; E100-N102 PolarHBondContact OE1-OD1 3.41Å; E100-N102 PolarHBondContact OE2-N 2.9Å; N102-Q174 PolarHBondContact OD1-NE2 3.15Å; N102-F214 HydrophobicContact CB-CD1 4.02Å; N102-F214 HydrophobicContact CB-CE1 3.94Å
103	T	96.5	Very high	98.2	Very high	54 Å²	54	23.7 Å²	23.7	33%	0.331	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-1.7	178.4	73.2	0	0	0	0	113.1	E100 T105 F214	E100-T103 WeakPolarHBondContact OE2-CA 3.42Å; E100-T103 WeakPolarHBondContact OE2-CB 3.15Å; E100-T103 VanDerWaalsContact OE2-CG2 3.25Å; E100-T103 WeakPolarHBondContact OE2-CG2 3.45Å; E100-T103 PolarHBondContact OE2-N 3.22Å; E100-T103 PolarHBondContact OE2-OG1 3Å; T103-T105 PolarHBondContact O-N 2.7Å; T103-T105 WeakPolarHBondContact OG1-CB 3.34Å; T103-T105 PolarHBondContact OG1-OG1 3.06Å; T103-F214 HydrophobicContact CG2-CB 3.93Å; T103-F214 HydrophobicContact CG2-CG 4.2Å
104	K	97.2	Very high	98.1	Very high	125 Å²	125	29 Å²	29	54%	0.543	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	40.2	-177	-59	-175.1	-178.6	-176.5	0	112.2	Y99 E100	Y99-K104 WeakPolarHBondContact OH-CA 3.06Å; Y99-K104 VanDerWaalsContact OH-CB 3.28Å; Y99-K104 WeakPolarHBondContact OH-CB 3.36Å; E100-K104 VanDerWaalsContact O-CA 3.29Å; E100-K104 WeakPolarHBondContact O-CA 3.42Å; E100-K104 PolarHBondContact O-N 3.4Å
105	T	98.5	Very high	98	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	120.5	-178.9	-54.4	0	0	0	0	109.5	E100 T103 F107 R138	E100-T105 WeakPolarHBondContact CB-O 2.93Å; E100-T105 PolarHBondContact N-O 2.95Å; E100-T105 PolarHBondContact O-N 2.85Å; E100-T105 VanDerWaalsContact O-N 3.08Å; T103-T105 PolarHBondContact O-N 2.7Å; T103-T105 WeakPolarHBondContact OG1-CB 3.34Å; T103-T105 PolarHBondContact OG1-OG1 3.06Å; T105-F107 HydrophobicContact CG2-CD2 4.09Å; T105-F107 HydrophobicContact CG2-CE1 4.13Å; T105-F107 HydrophobicContact CG2-CE2 3.59Å; T105-F107 HydrophobicContact CG2-CZ 3.62Å; T105-R138 PolarHBondContact OG1-NH1 2.61Å
106	L	98.8	Very high	97.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	124.1	168.7	175.3	66.3	0	0	0	108.9	V35 L44 P97 Y99 S136 S137 W144	V35-L106 HydrophobicContact CG1-CD1 4.08Å; V35-L106 HydrophobicContact CG2-CD1 4.5Å; L44-L106 HydrophobicContact CD1-CD2 3.24Å; P97-L106 HydrophobicContact CB-CD1 4.22Å; Y99-L106 HydrophobicContact CD2-CB 4.05Å; Y99-L106 HydrophobicContact CD2-CD1 4.42Å; L106-S136 CarbonylContact O-C 3.47Å; L106-S136 WeakPolarHBondContact O-CA 3.49Å; L106-S137 PolarHBondContact N-O 2.91Å; L106-S137 PolarHBondContact O-N 3.35Å; L106-W144 HydrophobicContact CD2-CH2 3.47Å; L106-W144 VanDerWaalsContact CD2-CH2 3.47Å; L106-W144 HydrophobicContact CD2-CZ2 4.13Å; L106-W144 HydrophobicContact CD2-CZ3 4.11Å; L106-W144 HydrophobicContact CG-CH2 4.02Å; L106-W144 HydrophobicContact CG-CZ3 4.26Å
107	F	98.9	Very high	97.8	Very high	10 Å²	10	35.3 Å²	35.3	4%	0.044	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	137	168.3	-63.5	-88.8	0	0	0	109.3	P97 V98 E100 T105 F109 Y134 L180	P97-F107 CarbonylContact C-O 3.57Å; P97-F107 WeakPolarHBondContact CA-O 2.82Å; V98-F107 HydrophobicContact CG1-CB 3.91Å; V98-F107 HydrophobicContact CG1-CD2 4.43Å; V98-F107 PolarHBondContact N-O 3.05Å; V98-F107 PolarHBondContact O-N 2.9Å; E100-F107 HydrophobicContact CB-CD2 4.41Å; E100-F107 HydrophobicContact CB-CE2 4.04Å; T105-F107 HydrophobicContact CG2-CD2 4.09Å; T105-F107 HydrophobicContact CG2-CE1 4.13Å; T105-F107 HydrophobicContact CG2-CE2 3.59Å; T105-F107 HydrophobicContact CG2-CZ 3.62Å; F107-F109 HydrophobicContact CB-CD2 4.06Å; F107-F109 HydrophobicContact CB-CE2 3.73Å; F107-F109 HydrophobicContact CG-CE2 4.31Å; F107-Y134 AromaticContact CD1-CD2 3.61Å; F107-Y134 HydrophobicContact CD1-CD2 3.61Å; F107-Y134 AromaticContact CD1-CE2 3.66Å; F107-Y134 HydrophobicContact CD1-CE2 3.66Å; F107-Y134 HydrophobicContact CD1-CG 4.3Å; F107-Y134 HydrophobicContact CE1-CD2 4.19Å; F107-Y134 AromaticContact CE1-CE2 3.74Å; F107-Y134 HydrophobicContact CE1-CE2 3.74Å; F107-L180 HydrophobicContact CD2-CD1 4.33Å; F107-L180 HydrophobicContact CE2-CD1 4.17Å
108	L	98.9	Very high	97.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	104.1	167.6	175.1	64.4	0	0	0	108.1	F46 F61 L82 V85 P95 P97 F110 Y134 V135 W144	F46-L108 HydrophobicContact CD1-CD1 4.34Å; F46-L108 HydrophobicContact CD1-CD2 4.02Å; F46-L108 HydrophobicContact CE1-CD1 4.35Å; F46-L108 HydrophobicContact CE1-CD2 3.8Å; F46-L108 HydrophobicContact CG-CD1 4.46Å; F46-L108 HydrophobicContact CZ-CD1 4.49Å; F61-L108 HydrophobicContact CD2-CD2 4.23Å; L82-L108 HydrophobicContact CD1-CD2 4.25Å; V85-L108 HydrophobicContact CG1-CD2 4.42Å; P95-L108 HydrophobicContact CB-CD1 3.9Å; P97-L108 HydrophobicContact CB-CD1 4.25Å; L108-F110 HydrophobicContact CG-CD1 4.4Å; L108-F110 VanDerWaalsContact O-CD1 3.28Å; L108-F110 WeakPolarHBondContact O-CD1 3.47Å; L108-F110 WeakPolarHBondContact O-CE1 2.78Å; L108-Y134 WeakPolarHBondContact O-CA 3.4Å; L108-Y134 WeakPolarHBondContact O-CB 3.19Å; L108-V135 HydrophobicContact CB-CG2 3.95Å; L108-V135 HydrophobicContact CD2-CG2 4.22Å; L108-V135 HydrophobicContact CG-CG2 4.48Å; L108-V135 PolarHBondContact N-O 3.47Å; L108-V135 PolarHBondContact O-N 2.86Å; L108-V135 VanDerWaalsContact O-N 3.09Å; L108-W144 HydrophobicContact CB-CE3 4.42Å; L108-W144 HydrophobicContact CB-CH2 3.78Å; L108-W144 HydrophobicContact CB-CZ3 3.52Å; L108-W144 HydrophobicContact CD2-CH2 4.2Å; L108-W144 HydrophobicContact CD2-CZ3 4.39Å
109	F	98.9	Very high	97.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	148.7	173.3	-79.6	-98.6	0	0	0	111.1	P95 C96 V98 F107 L132 C133 Y134 L150 V167 I182 W218	P95-F109 CarbonylContact C-O 3.54Å; C96-F109 HydrophobicContact CB-CB 4.21Å; C96-F109 PolarHBondContact N-O 3.19Å; C96-F109 WeakPolarHBondContact O-CB 3.22Å; C96-F109 PolarHBondContact O-N 3.34Å; V98-F109 HydrophobicContact CG1-CD2 4.48Å; V98-F109 HydrophobicContact CG1-CE2 4.39Å; F107-F109 HydrophobicContact CB-CD2 4.06Å; F107-F109 HydrophobicContact CB-CE2 3.73Å; F107-F109 HydrophobicContact CG-CE2 4.31Å; F109-L132 HydrophobicContact CD1-CD1 4.31Å; F109-C133 WeakPolarHBondContact CA-O 3.16Å; F109-Y134 HydrophobicContact CE1-CD1 4.08Å; F109-Y134 HydrophobicContact CE1-CG 4.43Å; F109-Y134 AromaticContact CZ-CD1 3.99Å; F109-Y134 HydrophobicContact CZ-CD1 3.99Å; F109-Y134 HydrophobicContact CZ-CG 4.21Å; F109-L150 HydrophobicContact CE1-CD1 3.78Å; F109-L150 HydrophobicContact CZ-CD1 4.36Å; F109-V167 HydrophobicContact CB-CG2 4.23Å; F109-I182 HydrophobicContact CB-CG2 4.09Å; F109-I182 HydrophobicContact CD1-CG1 4.24Å; F109-I182 HydrophobicContact CD1-CG2 4.41Å; F109-I182 HydrophobicContact CD2-CD1 3.45Å; F109-I182 VanDerWaalsContact CD2-CD1 3.45Å; F109-I182 HydrophobicContact CD2-CG1 3.73Å; F109-I182 HydrophobicContact CE1-CG1 4.28Å; F109-I182 HydrophobicContact CE2-CD1 3.72Å; F109-I182 HydrophobicContact CE2-CG1 3.8Å; F109-I182 HydrophobicContact CG-CD1 4.06Å; F109-I182 HydrophobicContact CG-CG1 3.97Å; F109-I182 HydrophobicContact CG-CG2 4.11Å; F109-I182 HydrophobicContact CZ-CD1 4.5Å; F109-I182 HydrophobicContact CZ-CG1 4.1Å; F109-W218 HydrophobicContact CE1-CD2 4.39Å; F109-W218 HydrophobicContact CE1-CE3 4.46Å; F109-W218 AromaticContact CE2-CH2 3.5Å; F109-W218 HydrophobicContact CE2-CH2 3.5Å; F109-W218 VanDerWaalsContact CE2-CH2 3.5Å; F109-W218 AromaticContact CE2-CZ2 3.61Å; F109-W218 HydrophobicContact CE2-CZ2 3.61Å; F109-W218 HydrophobicContact CE2-CZ3 4.11Å; F109-W218 AromaticContact CZ-CD2 3.81Å; F109-W218 HydrophobicContact CZ-CD2 3.81Å; F109-W218 AromaticContact CZ-CE2 3.5Å; F109-W218 VanDerWaalsContact CZ-CE2 3.5Å; F109-W218 AromaticContact CZ-CE3 3.94Å; F109-W218 HydrophobicContact CZ-CE3 3.94Å; F109-W218 AromaticContact CZ-CH2 3.44Å; F109-W218 HydrophobicContact CZ-CH2 3.44Å; F109-W218 VanDerWaalsContact CZ-CH2 3.44Å; F109-W218 AromaticContact CZ-CZ2 3.32Å; F109-W218 HydrophobicContact CZ-CZ2 3.32Å; F109-W218 AromaticContact CZ-CZ3 3.77Å; F109-W218 HydrophobicContact CZ-CZ3 3.77Å
110	F	98.9	Very high	97.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	174.2	177.3	54	-85.5	0	0	0	111	F61 V85 T92 M93 L108 C133 V135 V147	F61-F110 HydrophobicContact CE2-CB 3.53Å; F61-F110 AromaticContact CE2-CD1 4Å; F61-F110 HydrophobicContact CE2-CD1 4Å; F61-F110 HydrophobicContact CE2-CD2 4.22Å; F61-F110 AromaticContact CE2-CG 3.68Å; F61-F110 HydrophobicContact CE2-CG 3.68Å; F61-F110 HydrophobicContact CZ-CB 3.53Å; F61-F110 HydrophobicContact CZ-CG 4.14Å; V85-F110 HydrophobicContact CG1-CD1 4.03Å; V85-F110 HydrophobicContact CG1-CE1 3.37Å; V85-F110 HydrophobicContact CG1-CE2 4.26Å; V85-F110 HydrophobicContact CG1-CZ 3.5Å; T92-F110 HydrophobicContact CG2-CD2 3.47Å; T92-F110 VanDerWaalsContact CG2-CD2 3.47Å; T92-F110 HydrophobicContact CG2-CE2 3.47Å; T92-F110 VanDerWaalsContact CG2-CE2 3.47Å; M93-F110 WeakPolarHBondContact O-CB 3.3Å; L108-F110 HydrophobicContact CG-CD1 4.4Å; L108-F110 VanDerWaalsContact O-CD1 3.28Å; L108-F110 WeakPolarHBondContact O-CD1 3.47Å; L108-F110 WeakPolarHBondContact O-CE1 2.78Å; F110-C133 HydrophobicContact CD2-CB 3.78Å; F110-C133 HydrophobicContact CE1-CB 4.21Å; F110-C133 HydrophobicContact CE2-CB 3.34Å; F110-C133 HydrophobicContact CG-CB 4.39Å; F110-C133 HydrophobicContact CZ-CB 3.58Å; F110-C133 PolarHBondContact N-O 2.9Å; F110-C133 PolarHBondContact O-N 3.44Å; F110-C133 VanDerWaalsContact O-O 3.06Å; F110-V135 HydrophobicContact CE1-CG1 4.21Å; F110-V135 HydrophobicContact CE1-CG2 4.19Å; F110-V135 HydrophobicContact CZ-CG1 4.34Å; F110-V147 HydrophobicContact CE2-CG1 4.37Å; F110-V147 HydrophobicContact CZ-CG1 3.94Å; F110-V147 HydrophobicContact CZ-CG2 4.17Å
111	I	98.7	Very high	97.6	Very high	7 Å²	7	48.9 Å²	48.9	4%	0.036	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	146	165.9	58.6	168.6	0	0	0	112.4	T92 M93 V113 T130 R131 F165 A166	T92-I111 WeakPolarHBondContact CA-O 3.12Å; M93-I111 HydrophobicContact CB-CD1 4.26Å; M93-I111 HydrophobicContact CB-CG1 3.88Å; M93-I111 PolarHBondContact N-O 2.84Å; M93-I111 PolarHBondContact O-N 2.79Å; M93-I111 HydrophobicContact SD-CD1 4.44Å; I111-V113 HydrophobicContact CD1-CG2 4Å; I111-V113 HydrophobicContact CG1-CG2 4.5Å; I111-T130 HydrophobicContact CB-CG2 3.72Å; I111-T130 HydrophobicContact CD1-CG2 3.96Å; I111-T130 HydrophobicContact CG1-CG2 4.41Å; I111-T130 HydrophobicContact CG2-CG2 3.82Å; I111-R131 VanDerWaalsContact CA-O 3.26Å; I111-R131 WeakPolarHBondContact CA-O 3.23Å; I111-F165 HydrophobicContact CG2-CD2 4.18Å; I111-F165 HydrophobicContact CG2-CE2 3.92Å; I111-A166 HydrophobicContact CD1-CB 3.86Å; I111-A166 HydrophobicContact CG2-CB 4.31Å
112	C	98.4	Very high	97.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124	166.9	-84.2	0	0	0	0	109.2	L87 H90 R91 T92 T130 R131	L87-C112 HydrophobicContact CB-CB 4.34Å; L87-C112 HydrophobicContact CD1-CB 3.88Å; L87-C112 HydrophobicContact CG-CB 4.23Å; H90-C112 HydrophobicContact CB-CB 3.82Å; R91-C112 WeakPolarHBondContact O-CA 3.48Å; T92-C112 WeakPolarHBondContact CG2-SG 3.36Å; C112-T130 CarbonylContact O-C 3.54Å; C112-T130 WeakPolarHBondContact O-CA 3.39Å; C112-R131 HydrophobicContact CB-CB 4.09Å; C112-R131 PolarHBondContact N-O 3.19Å; C112-R131 PolarHBondContact O-N 2.62Å
113	V	98.3	Very high	97.8	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131.4	176.7	-173.4	0	0	0	0	110.1	H90 R91 M93 I111 G115 T130	H90-V113 VanDerWaalsContact CA-O 3.27Å; H90-V113 WeakPolarHBondContact CA-O 3.29Å; R91-V113 HydrophobicContact CG-CB 4.06Å; R91-V113 PolarHBondContact N-O 3.14Å; R91-V113 PolarHBondContact O-N 3.34Å; M93-V113 HydrophobicContact SD-CG2 4.38Å; I111-V113 HydrophobicContact CD1-CG2 4Å; I111-V113 HydrophobicContact CG1-CG2 4.5Å; V113-G115 PolarHBondContact O-N 2.98Å; V113-T130 HydrophobicContact CG2-CG2 4.17Å
114	W	97.7	Very high	97.8	Very high	125 Å²	125	43.1 Å²	43.1	47%	0.473	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	121.8	-178.7	-179.8	-91.3	0	0	0	112.3	N89 H90 T116 T117 K129	N89-W114 HydrophobicContact CB-CE3 4.37Å; N89-W114 HydrophobicContact CB-CH2 3.84Å; N89-W114 HydrophobicContact CB-CZ2 4.36Å; N89-W114 HydrophobicContact CB-CZ3 3.85Å; H90-W114 PolarHBondContact CD2-N 2.71Å; H90-W114 AromaticContact CE1-CE3 3.43Å; H90-W114 VanDerWaalsContact CE1-CE3 3.43Å; H90-W114 AromaticContact CE1-CZ3 3.88Å; H90-W114 AromaticContact NE2-CE3 3.69Å; W114-T116 PolarHBondContact O-N 2.91Å; W114-T117 WeakPolarHBondContact O-CB 3.1Å; W114-T117 PolarHBondContact O-N 2.85Å; W114-T117 PolarHBondContact O-OG1 3.35Å; W114-K129 HydrophobicContact CB-CB 4.12Å; W114-K129 HydrophobicContact CB-CD 4.41Å; W114-K129 PolarHBondContact N-O 3.11Å
115	G	95.7	Very high	97.8	Very high	29 Å²	29	38.6 Å²	38.6	30%	0.299	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	-133.7	179.9	0	0	0	0	0	112.7	N89 R91 V113	N89-G115 PolarHBondContact O-N 3.04Å; R91-G115 WeakPolarHBondContact CD-O 3.46Å; R91-G115 PolarHBondContact NE-O 2.78Å; V113-G115 PolarHBondContact O-N 2.98Å
116	T	95	Very high	97.7	Very high	92 Å²	92	38.9 Å²	38.9	56%	0.564	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	22.7	179.1	56.4	0	0	0	0	112.8	W114 T118	W114-T116 PolarHBondContact O-N 2.91Å; T116-T118 PolarHBondContact O-N 3.29Å
117	T	97.3	Very high	97.6	Very high	22 Å²	22	45.2 Å²	45.2	14%	0.135	24%	0.241	C	C	.	.			trans	-59.2	122.5	-177.6	-54.5	0	0	0	0	110.4	R91 W114 K121 Q122 K129	R91-T117 PolarHBondContact NH2-O 2.99Å; W114-T117 WeakPolarHBondContact O-CB 3.1Å; W114-T117 PolarHBondContact O-N 2.85Å; W114-T117 PolarHBondContact O-OG1 3.35Å; T117-K121 HydrophobicContact CG2-CD 4.48Å; T117-Q122 HydrophobicContact CG2-CG 3.68Å; T117-K129 HydrophobicContact CG2-CB 4.17Å; T117-K129 HydrophobicContact CG2-CG 4.17Å
118	T	97.9	Very high	97.5	Very high	53 Å²	53	46.3 Å²	46.3	33%	0.325	25%	0.248	S	C	.	.			trans	-81.9	151	-178.4	65.1	0	0	0	0	111.8	N56 T116 A120 K121 Q122	N56-T118 HydrophobicContact CB-CG2 4.1Å; T116-T118 PolarHBondContact O-N 3.29Å; T118-A120 VanDerWaalsContact C-N 3.31Å; T118-A120 PolarHBondContact O-N 2.88Å; T118-K121 PolarHBondContact O-N 3.38Å; T118-K121 VanDerWaalsContact OG1-CB 3.28Å; T118-K121 WeakPolarHBondContact OG1-CB 3.36Å; T118-K121 PolarHBondContact OG1-N 3Å; T118-Q122 WeakPolarHBondContact O-CG 3.15Å; T118-Q122 PolarHBondContact O-N 2.85Å
119	E	97.3	Very high	97.5	Very high	75 Å²	75	51 Å²	51	35%	0.35	27%	0.268	S	S	.	.	H	α-helix	trans	-55.2	-47.6	172.6	-168.5	-161.5	66.6	0	0	111.1	K121 Q122 I123 T164 Y187	E119-K121 VanDerWaalsContact C-N 3.31Å; E119-K121 PolarHBondContact O-N 2.86Å; E119-Q122 WeakPolarHBondContact O-CB 3.27Å; E119-Q122 PolarHBondContact O-N 2.79Å; E119-I123 HydrophobicContact CG-CD1 3.83Å; E119-I123 HydrophobicContact CG-CG1 4.41Å; E119-I123 WeakPolarHBondContact O-CG1 3.41Å; E119-I123 PolarHBondContact O-N 2.83Å; E119-T164 HydrophobicContact CG-CG2 3.73Å; E119-Y187 VanDerWaalsContact CD-OH 3.26Å; E119-Y187 HydrophobicContact CG-CE2 4.07Å; E119-Y187 PolarHBondContact OE1-OH 3.06Å; E119-Y187 WeakPolarHBondContact OE2-CE2 3.47Å; E119-Y187 PolarHBondContact OE2-OH 2.83Å
120	A	97.2	Very high	97.5	Very high	66 Å²	66	51.1 Å²	51.1	55%	0.545	27%	0.269	S	S	.	.	H	α-helix	trans	-56.4	-40.9	178.8	0	0	0	0	0	113	T118 Q122 I123 L124	T118-A120 VanDerWaalsContact C-N 3.31Å; T118-A120 PolarHBondContact O-N 2.88Å; A120-Q122 VanDerWaalsContact C-N 3.35Å; A120-I123 PolarHBondContact O-N 2.94Å; A120-L124 VanDerWaalsContact O-CB 3.27Å; A120-L124 WeakPolarHBondContact O-CB 3.25Å; A120-L124 PolarHBondContact O-N 2.83Å
121	K	97.4	Very high	97.4	Very high	124 Å²	124	55.1 Å²	55.1	54%	0.539	28%	0.284	S	S	.	.	H	α-helix	trans	-65.2	-39.9	176.5	-178.7	175.1	179.7	177.8	0	111.5	T117 T118 E119 T125	T117-K121 HydrophobicContact CG2-CD 4.48Å; T118-K121 PolarHBondContact O-N 3.38Å; T118-K121 VanDerWaalsContact OG1-CB 3.28Å; T118-K121 WeakPolarHBondContact OG1-CB 3.36Å; T118-K121 PolarHBondContact OG1-N 3Å; E119-K121 VanDerWaalsContact C-N 3.31Å; E119-K121 PolarHBondContact O-N 2.86Å; K121-T125 HydrophobicContact CG-CG2 4.38Å; K121-T125 WeakPolarHBondContact O-CB 3.48Å; K121-T125 VanDerWaalsContact O-CG2 3.3Å; K121-T125 WeakPolarHBondContact O-CG2 3.49Å; K121-T125 PolarHBondContact O-N 2.89Å; K121-T125 PolarHBondContact O-OG1 2.96Å
122	Q	98.1	Very high	97.5	Very high	2 Å²	2	55 Å²	55	1%	0.009	28%	0.283	C	S	.	.	H	α-helix	trans	-67.3	-44.4	177.5	-64.6	-173	84.7	0	0	111.4	T117 T118 E119 A120 L124 T125 G126 T130 A163 T164	T117-Q122 HydrophobicContact CG2-CG 3.68Å; T118-Q122 WeakPolarHBondContact O-CG 3.15Å; T118-Q122 PolarHBondContact O-N 2.85Å; E119-Q122 WeakPolarHBondContact O-CB 3.27Å; E119-Q122 PolarHBondContact O-N 2.79Å; A120-Q122 VanDerWaalsContact C-N 3.35Å; Q122-L124 PolarHBondContact O-N 2.98Å; Q122-T125 PolarHBondContact O-N 3.2Å; Q122-G126 VanDerWaalsContact O-CA 3.25Å; Q122-G126 WeakPolarHBondContact O-CA 3.39Å; Q122-G126 PolarHBondContact O-N 3.28Å; Q122-T130 PolarHBondContact NE2-OG1 2.86Å; Q122-T130 PolarHBondContact OE1-OG1 3.38Å; Q122-A163 WeakPolarHBondContact CB-O 3.16Å; Q122-T164 HydrophobicContact CB-CG2 4.47Å; Q122-T164 PolarHBondContact NE2-OG1 2.88Å
123	I	97.6	Very high	97.5	Very high	39 Å²	39	55 Å²	55	20%	0.2	28%	0.283	C	S	.	.	H	α-helix	trans	-57.8	-47.7	173.9	-68.3	169.7	0	0	0	111.2	E119 A120 A163 Y187 V202	E119-I123 HydrophobicContact CG-CD1 3.83Å; E119-I123 HydrophobicContact CG-CG1 4.41Å; E119-I123 WeakPolarHBondContact O-CG1 3.41Å; E119-I123 PolarHBondContact O-N 2.83Å; A120-I123 PolarHBondContact O-N 2.94Å; I123-A163 HydrophobicContact CG1-CB 4.35Å; I123-Y187 HydrophobicContact CD1-CD1 3.59Å; I123-Y187 HydrophobicContact CD1-CD2 4.33Å; I123-Y187 HydrophobicContact CD1-CE1 3.49Å; I123-Y187 VanDerWaalsContact CD1-CE1 3.49Å; I123-Y187 HydrophobicContact CD1-CE2 4.22Å; I123-Y187 HydrophobicContact CD1-CG 4.01Å; I123-Y187 HydrophobicContact CG1-CD1 3.96Å; I123-Y187 HydrophobicContact CG1-CE1 4.37Å; I123-Y187 HydrophobicContact CG1-CG 4.04Å; I123-V202 HydrophobicContact CG2-CB 4.08Å; I123-V202 HydrophobicContact CG2-CG1 4.03Å
124	L	96.9	Very high	97.5	Very high	132 Å²	132	56.3 Å²	56.3	69%	0.691	29%	0.288	S	S	*	.	H	α-helix	trans	-66.4	-43.6	-178.5	-179.7	65.5	0	0	0	112.4	A120 Q122	A120-L124 VanDerWaalsContact O-CB 3.27Å; A120-L124 WeakPolarHBondContact O-CB 3.25Å; A120-L124 PolarHBondContact O-N 2.83Å; Q122-L124 PolarHBondContact O-N 2.98Å
125	T	96.6	Very high	97.6	Very high	30 Å²	30	50.3 Å²	50.3	18%	0.184	27%	0.266	C	S	.	.	H	α-helix	trans	-92.2	-18.1	-172.6	62.2	0	0	0	0	113.6	K121 Q122 K127	K121-T125 HydrophobicContact CG-CG2 4.38Å; K121-T125 WeakPolarHBondContact O-CB 3.48Å; K121-T125 VanDerWaalsContact O-CG2 3.3Å; K121-T125 WeakPolarHBondContact O-CG2 3.49Å; K121-T125 PolarHBondContact O-N 2.89Å; K121-T125 PolarHBondContact O-OG1 2.96Å; Q122-T125 PolarHBondContact O-N 3.2Å; T125-K127 PolarHBondContact O-N 3.2Å; T125-K127 WeakPolarHBondContact OG1-CB 3.46Å; T125-K127 PolarHBondContact OG1-N 2.98Å
126	G	96.4	Very high	97.7	Very high	8 Å²	8	50.1 Å²	50.1	8%	0.082	26%	0.26	C	S	.	.			trans	62.4	19.3	-170	0	0	0	0	0	113.8	Q122 R192	Q122-G126 VanDerWaalsContact O-CA 3.25Å; Q122-G126 WeakPolarHBondContact O-CA 3.39Å; Q122-G126 PolarHBondContact O-N 3.28Å; G126-R192 PolarHBondContact O-NH2 2.77Å
127	K	96.6	Very high	97.9	Very high	133 Å²	133	45.9 Å²	45.9	58%	0.578	23%	0.234	S	C	*	.			trans	-98.5	94.5	177.9	-65.1	-177.3	179.4	-177.9	0	109.3	T125	T125-K127 PolarHBondContact O-N 3.2Å; T125-K127 WeakPolarHBondContact OG1-CB 3.46Å; T125-K127 PolarHBondContact OG1-N 2.98Å
128	N	98.1	Very high	97.9	Very high	33 Å²	33	53.4 Å²	53.4	18%	0.176	26%	0.26	C	S	.	.			trans	-67.5	134.2	178.6	-164.8	-40.7	0	0	0	111.1	T130 I159 W162 A163	N128-T130 PolarHBondContact OD1-N 2.99Å; N128-T130 PolarHBondContact OD1-O 2.93Å; N128-I159 HydrophobicContact CB-CG1 4.41Å; N128-I159 WeakPolarHBondContact ND2-CD1 3.19Å; N128-W162 PolarHBondContact ND2-O 3.46Å; N128-W162 VanDerWaalsContact ND2-O 3.13Å; N128-A163 VanDerWaalsContact CA-O 3.32Å; N128-A163 WeakPolarHBondContact CA-O 3.32Å; N128-A163 WeakPolarHBondContact CB-O 3.35Å
129	K	98.1	Very high	97.8	Very high	100 Å²	100	53.1 Å²	53.1	44%	0.435	26%	0.256	S	S	.	.			trans	-133	17.7	-179.4	-68.5	-61.5	-177.4	-176.2	0	111.7	W114 T117	W114-K129 HydrophobicContact CB-CB 4.12Å; W114-K129 HydrophobicContact CB-CD 4.41Å; W114-K129 PolarHBondContact N-O 3.11Å; T117-K129 HydrophobicContact CG2-CB 4.17Å; T117-K129 HydrophobicContact CG2-CG 4.17Å
130	T	98.5	Very high	97.8	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137	-175.8	-54.9	0	0	0	0	109.8	I111 C112 V113 Q122 N128 T164 F165	I111-T130 HydrophobicContact CB-CG2 3.72Å; I111-T130 HydrophobicContact CD1-CG2 3.96Å; I111-T130 HydrophobicContact CG1-CG2 4.41Å; I111-T130 HydrophobicContact CG2-CG2 3.82Å; C112-T130 CarbonylContact O-C 3.54Å; C112-T130 WeakPolarHBondContact O-CA 3.39Å; V113-T130 HydrophobicContact CG2-CG2 4.17Å; Q122-T130 PolarHBondContact NE2-OG1 2.86Å; Q122-T130 PolarHBondContact OE1-OG1 3.38Å; N128-T130 PolarHBondContact OD1-N 2.99Å; N128-T130 PolarHBondContact OD1-O 2.93Å; T130-T164 PolarHBondContact OG1-OG1 2.76Å; T130-F165 HydrophobicContact CG2-CD1 4.3Å; T130-F165 HydrophobicContact CG2-CD2 4.4Å; T130-F165 HydrophobicContact CG2-CE1 3.95Å; T130-F165 HydrophobicContact CG2-CE2 4.05Å; T130-F165 HydrophobicContact CG2-CZ 3.83Å; T130-F165 WeakPolarHBondContact CG2-O 3.27Å; T130-F165 WeakPolarHBondContact O-CE1 3.24Å
131	R	98.7	Very high	97.7	Very high	84 Å²	84	48 Å²	48	32%	0.317	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	140.7	176.4	-58.1	-63.2	-174.9	172.7	4.6	110.2	L87 I111 C112 T151 E152	L87-R131 HydrophobicContact CD1-CB 4.08Å; L87-R131 HydrophobicContact CD1-CG 4.12Å; I111-R131 VanDerWaalsContact CA-O 3.26Å; I111-R131 WeakPolarHBondContact CA-O 3.23Å; C112-R131 HydrophobicContact CB-CB 4.09Å; C112-R131 PolarHBondContact N-O 3.19Å; C112-R131 PolarHBondContact O-N 2.62Å; R131-T151 WeakPolarHBondContact CA-OG1 3.22Å; R131-T151 WeakPolarHBondContact CB-OG1 3.33Å; R131-T151 VanDerWaalsContact CD-OG1 3.31Å; R131-T151 WeakPolarHBondContact CD-OG1 3.11Å; R131-E152 IonicContact NH1-OE1 2.91Å; R131-E152 PolarHBondContact NH1-OE1 3.19Å
132	L	98.8	Very high	97.7	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.5	173.2	178	60.7	0	0	0	108.3	F109 L150 T151 V154 I155 F165 V167 V209	F109-L132 HydrophobicContact CD1-CD1 4.31Å; L132-L150 HydrophobicContact CB-CB 4.43Å; L132-L150 HydrophobicContact CD2-CB 4.1Å; L132-L150 HydrophobicContact CG-CB 4.1Å; L132-L150 PolarHBondContact O-N 3.08Å; L132-T151 PolarHBondContact N-OG1 3.35Å; L132-V154 HydrophobicContact CD2-CB 4.46Å; L132-V154 HydrophobicContact CD2-CG1 4.24Å; L132-I155 HydrophobicContact CB-CD1 3.92Å; L132-I155 HydrophobicContact CD2-CD1 4.27Å; L132-I155 HydrophobicContact CD2-CG1 4.38Å; L132-F165 HydrophobicContact CB-CE2 3.74Å; L132-F165 HydrophobicContact CB-CZ 4.05Å; L132-F165 HydrophobicContact CD1-CE2 4.5Å; L132-V167 HydrophobicContact CD1-CG1 3.46Å; L132-V167 VanDerWaalsContact CD1-CG1 3.46Å; L132-V209 HydrophobicContact CD2-CG1 4.5Å
133	C	98.8	Very high	97.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	156.1	-174.2	-61.9	0	0	0	0	111.5	F109 F110 V147 T148	F109-C133 WeakPolarHBondContact CA-O 3.16Å; F110-C133 HydrophobicContact CD2-CB 3.78Å; F110-C133 HydrophobicContact CE1-CB 4.21Å; F110-C133 HydrophobicContact CE2-CB 3.34Å; F110-C133 HydrophobicContact CG-CB 4.39Å; F110-C133 HydrophobicContact CZ-CB 3.58Å; F110-C133 PolarHBondContact N-O 2.9Å; F110-C133 PolarHBondContact O-N 3.44Å; F110-C133 VanDerWaalsContact O-O 3.06Å; C133-V147 HydrophobicContact CB-CG1 3.83Å; C133-T148 VanDerWaalsContact CA-O 3.25Å; C133-T148 WeakPolarHBondContact CA-O 3.27Å
134	Y	98.8	Very high	97.6	Very high	30 Å²	30	51 Å²	51	12%	0.118	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	161.7	160	75.2	-96.2	0	0	0	112.1	F107 L108 F109 T148 L150	F107-Y134 AromaticContact CD1-CD2 3.61Å; F107-Y134 HydrophobicContact CD1-CD2 3.61Å; F107-Y134 AromaticContact CD1-CE2 3.66Å; F107-Y134 HydrophobicContact CD1-CE2 3.66Å; F107-Y134 HydrophobicContact CD1-CG 4.3Å; F107-Y134 HydrophobicContact CE1-CD2 4.19Å; F107-Y134 AromaticContact CE1-CE2 3.74Å; F107-Y134 HydrophobicContact CE1-CE2 3.74Å; L108-Y134 WeakPolarHBondContact O-CA 3.4Å; L108-Y134 WeakPolarHBondContact O-CB 3.19Å; F109-Y134 HydrophobicContact CE1-CD1 4.08Å; F109-Y134 HydrophobicContact CE1-CG 4.43Å; F109-Y134 AromaticContact CZ-CD1 3.99Å; F109-Y134 HydrophobicContact CZ-CD1 3.99Å; F109-Y134 HydrophobicContact CZ-CG 4.21Å; Y134-T148 HydrophobicContact CD1-CG2 4.33Å; Y134-T148 HydrophobicContact CE1-CG2 3.62Å; Y134-T148 PolarHBondContact N-O 2.87Å; Y134-T148 PolarHBondContact O-N 2.8Å; Y134-L150 HydrophobicContact CD1-CD1 3.5Å; Y134-L150 VanDerWaalsContact CD1-CD1 3.5Å; Y134-L150 HydrophobicContact CD1-CD2 4.49Å; Y134-L150 HydrophobicContact CD1-CG 3.89Å; Y134-L150 HydrophobicContact CE1-CD1 3.71Å; Y134-L150 HydrophobicContact CE1-CD2 4Å; Y134-L150 HydrophobicContact CE1-CG 3.9Å
135	V	98.8	Very high	97.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	157.6	158.8	-67.9	0	0	0	0	108.8	V85 L108 F110 W144 S145 V147	V85-V135 HydrophobicContact CB-CG1 4.47Å; V85-V135 HydrophobicContact CB-CG2 4.47Å; V85-V135 HydrophobicContact CG1-CG1 3.98Å; V85-V135 HydrophobicContact CG1-CG2 3.71Å; V85-V135 HydrophobicContact CG2-CG1 4.16Å; V85-V135 HydrophobicContact CG2-CG2 3.87Å; L108-V135 HydrophobicContact CB-CG2 3.95Å; L108-V135 HydrophobicContact CD2-CG2 4.22Å; L108-V135 HydrophobicContact CG-CG2 4.48Å; L108-V135 PolarHBondContact N-O 3.47Å; L108-V135 PolarHBondContact O-N 2.86Å; L108-V135 VanDerWaalsContact O-N 3.09Å; F110-V135 HydrophobicContact CE1-CG1 4.21Å; F110-V135 HydrophobicContact CE1-CG2 4.19Å; F110-V135 HydrophobicContact CZ-CG1 4.34Å; V135-W144 HydrophobicContact CB-CB 4.44Å; V135-W144 HydrophobicContact CB-CE3 4.09Å; V135-W144 HydrophobicContact CG2-CB 4.4Å; V135-W144 HydrophobicContact CG2-CD2 4.02Å; V135-W144 HydrophobicContact CG2-CE3 3.37Å; V135-W144 HydrophobicContact CG2-CG 4.48Å; V135-W144 HydrophobicContact CG2-CZ3 3.91Å; V135-S145 WeakPolarHBondContact CG1-O 3.31Å; V135-V147 HydrophobicContact CG1-CB 4.39Å; V135-V147 HydrophobicContact CG1-CG2 3.85Å
136	S	98.6	Very high	97.8	Very high	25 Å²	25	52.7 Å²	52.7	18%	0.175	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	151	-179.9	61.1	0	0	0	0	111.8	L106 W144 S145	L106-S136 CarbonylContact O-C 3.47Å; L106-S136 WeakPolarHBondContact O-CA 3.49Å; S136-W144 CarbonylContact O-C 3.59Å; S136-W144 WeakPolarHBondContact O-CA 3.41Å; S136-S145 PolarHBondContact N-OG 3.08Å; S136-S145 PolarHBondContact O-N 2.61Å; S136-S145 PolarHBondContact OG-OG 3.31Å
137	S	98.6	Very high	97.9	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	138.1	175.1	171.1	0	0	0	0	109.5	L106 D139 G141 T143	L106-S137 PolarHBondContact N-O 2.91Å; L106-S137 PolarHBondContact O-N 3.35Å; S137-D139 PolarHBondContact OG-N 3.38Å; S137-D139 PolarHBondContact OG-OD1 2.91Å; S137-G141 WeakPolarHBondContact OG-CA 3.29Å; S137-G141 PolarHBondContact OG-N 2.95Å; S137-T143 WeakPolarHBondContact CB-O 3.36Å; S137-T143 PolarHBondContact OG-O 2.83Å
138	R	97.7	Very high	98	Very high	180 Å²	180	49.6 Å²	49.6	68%	0.679	24%	0.24	S	C	*	.	S	Bend	trans	-113.5	9	174.7	-66.7	-177.6	177.3	-89.5	-0.3	112.4	T105	T105-R138 PolarHBondContact OG1-NH1 2.61Å
139	D	97.2	Very high	98	Very high	46 Å²	46	51 Å²	51	25%	0.246	25%	0.247	C	C	.	.	S	Bend	trans	-132	35.8	-174.9	64.3	-1	0	0	0	111.7	S137 G141 Q142 T143	S137-D139 PolarHBondContact OG-N 3.38Å; S137-D139 PolarHBondContact OG-OD1 2.91Å; D139-G141 PolarHBondContact O-N 2.68Å; D139-Q142 HydrophobicContact CB-CB 4.44Å; D139-Q142 WeakPolarHBondContact O-CB 3.47Å; D139-Q142 VanDerWaalsContact O-CG 3.29Å; D139-Q142 WeakPolarHBondContact O-CG 3.5Å; D139-Q142 PolarHBondContact O-N 3.5Å; D139-Q142 PolarHBondContact O-NE2 2.52Å; D139-Q142 PolarHBondContact OD1-N 3.45Å; D139-T143 PolarHBondContact OD1-N 3.22Å; D139-T143 PolarHBondContact OD1-OG1 2.81Å; D139-T143 VanDerWaalsContact OD2-CB 3.31Å; D139-T143 WeakPolarHBondContact OD2-CB 3.46Å; D139-T143 WeakPolarHBondContact OD2-CG2 3.41Å; D139-T143 PolarHBondContact OD2-N 2.92Å; D139-T143 VanDerWaalsContact OD2-N 3.14Å; D139-T143 PolarHBondContact OD2-OG1 2.81Å
140	D	96.3	Very high	98	Very high	35 Å²	35	46.9 Å²	46.9	19%	0.187	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	42.5	174.6	-58.3	-28.5	0	0	0	113.9	L37 H39 C40 R65 Q142	L37-D140 HydrophobicContact CD1-CB 3.7Å; H39-D140 IonicContact CD2-OD2 3.01Å; H39-D140 IonicContact CE1-OD1 2.65Å; H39-D140 PolarHBondContact CE1-OD1 3.21Å; H39-D140 IonicContact CE1-OD2 3.21Å; H39-D140 IonicContact NE2-OD1 3.09Å; H39-D140 PolarHBondContact NE2-OD1 2.81Å; H39-D140 IonicContact NE2-OD2 2.77Å; H39-D140 PolarHBondContact NE2-OD2 2.95Å; C40-D140 PolarHBondContact SG-OD2 3.01Å; C40-D140 VanDerWaalsContact SG-OD2 3.38Å; R65-D140 PolarHBondContact NH2-O 3.02Å; D140-Q142 VanDerWaalsContact C-N 3.35Å
141	G	96.2	Very high	98	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	11.6	175.6	0	0	0	0	0	114.5	M63 S137 D139 W144	M63-G141 WeakPolarHBondContact CE-O 3.46Å; S137-G141 WeakPolarHBondContact OG-CA 3.29Å; S137-G141 PolarHBondContact OG-N 2.95Å; D139-G141 PolarHBondContact O-N 2.68Å; G141-W144 PolarHBondContact O-NE1 3.5Å
142	Q	95.8	Very high	98	Very high	106 Å²	106	48.6 Å²	48.6	50%	0.495	24%	0.241	S	C	.	.	S	Bend	trans	-75.2	-44.7	179.1	-69.9	177.5	87.9	0	0	111.7	D139 D140	D139-Q142 HydrophobicContact CB-CB 4.44Å; D139-Q142 WeakPolarHBondContact O-CB 3.47Å; D139-Q142 VanDerWaalsContact O-CG 3.29Å; D139-Q142 WeakPolarHBondContact O-CG 3.5Å; D139-Q142 PolarHBondContact O-N 3.5Å; D139-Q142 PolarHBondContact O-NE2 2.52Å; D139-Q142 PolarHBondContact OD1-N 3.45Å; D140-Q142 VanDerWaalsContact C-N 3.35Å
143	T	96.8	Very high	98	Very high	89 Å²	89	52.8 Å²	52.8	55%	0.546	27%	0.27	S	S	.	.	S	Bend	trans	-125.2	154.7	173.4	70	0	0	0	0	110.7	S137 D139	S137-T143 WeakPolarHBondContact CB-O 3.36Å; S137-T143 PolarHBondContact OG-O 2.83Å; D139-T143 PolarHBondContact OD1-N 3.22Å; D139-T143 PolarHBondContact OD1-OG1 2.81Å; D139-T143 VanDerWaalsContact OD2-CB 3.31Å; D139-T143 WeakPolarHBondContact OD2-CB 3.46Å; D139-T143 WeakPolarHBondContact OD2-CG2 3.41Å; D139-T143 PolarHBondContact OD2-N 2.92Å; D139-T143 VanDerWaalsContact OD2-N 3.14Å; D139-T143 PolarHBondContact OD2-OG1 2.81Å
144	W	98.3	Very high	97.9	Very high	33 Å²	33	53.5 Å²	53.5	13%	0.125	28%	0.275	C	S	.	.			trans	-126.8	140.5	-175.8	-64	91.9	0	0	0	109.8	F46 M63 V85 L106 L108 V135 S136 G141	F46-W144 HydrophobicContact CE1-CH2 4.03Å; F46-W144 AromaticContact CE1-CZ2 3.72Å; F46-W144 HydrophobicContact CE1-CZ2 3.72Å; F46-W144 AromaticContact CZ-CH2 3.83Å; F46-W144 HydrophobicContact CZ-CH2 3.83Å; F46-W144 AromaticContact CZ-CZ2 3.78Å; F46-W144 HydrophobicContact CZ-CZ2 3.78Å; M63-W144 HydrophobicContact SD-CZ2 3.96Å; V85-W144 HydrophobicContact CG2-CB 4.49Å; L106-W144 HydrophobicContact CD2-CH2 3.47Å; L106-W144 VanDerWaalsContact CD2-CH2 3.47Å; L106-W144 HydrophobicContact CD2-CZ2 4.13Å; L106-W144 HydrophobicContact CD2-CZ3 4.11Å; L106-W144 HydrophobicContact CG-CH2 4.02Å; L106-W144 HydrophobicContact CG-CZ3 4.26Å; L108-W144 HydrophobicContact CB-CE3 4.42Å; L108-W144 HydrophobicContact CB-CH2 3.78Å; L108-W144 HydrophobicContact CB-CZ3 3.52Å; L108-W144 HydrophobicContact CD2-CH2 4.2Å; L108-W144 HydrophobicContact CD2-CZ3 4.39Å; V135-W144 HydrophobicContact CB-CB 4.44Å; V135-W144 HydrophobicContact CB-CE3 4.09Å; V135-W144 HydrophobicContact CG2-CB 4.4Å; V135-W144 HydrophobicContact CG2-CD2 4.02Å; V135-W144 HydrophobicContact CG2-CE3 3.37Å; V135-W144 HydrophobicContact CG2-CG 4.48Å; V135-W144 HydrophobicContact CG2-CZ3 3.91Å; S136-W144 CarbonylContact O-C 3.59Å; S136-W144 WeakPolarHBondContact O-CA 3.41Å; G141-W144 PolarHBondContact O-NE1 3.5Å
145	S	98.4	Very high	97.9	Very high	41 Å²	41	52.5 Å²	52.5	29%	0.287	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-62.7	170.2	172.5	73.1	0	0	0	0	111.6	V135 S136	V135-S145 WeakPolarHBondContact CG1-O 3.31Å; S136-S145 PolarHBondContact N-OG 3.08Å; S136-S145 PolarHBondContact O-N 2.61Å; S136-S145 PolarHBondContact OG-OG 3.31Å
146	Q	98	Very high	97.8	Very high	155 Å²	155	53.4 Å²	53.4	72%	0.724	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-61.8	154.8	164	-64.2	-61	-19	0	0	110.9	T148	Q146-T148 PolarHBondContact O-N 3.48Å
147	V	98.6	Very high	97.7	Very high	28 Å²	28	59.5 Å²	59.5	17%	0.17	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-64.4	126.8	178	-179.9	0	0	0	0	109.9	L87 F110 C133 V135	L87-V147 HydrophobicContact CD2-CB 4.26Å; L87-V147 HydrophobicContact CD2-CG1 3.82Å; L87-V147 HydrophobicContact CG-CG1 4.15Å; F110-V147 HydrophobicContact CE2-CG1 4.37Å; F110-V147 HydrophobicContact CZ-CG1 3.94Å; F110-V147 HydrophobicContact CZ-CG2 4.17Å; C133-V147 HydrophobicContact CB-CG1 3.83Å; V135-V147 HydrophobicContact CG1-CB 4.39Å; V135-V147 HydrophobicContact CG1-CG2 3.85Å
148	T	98.6	Very high	97.7	Very high	49 Å²	49	60.7 Å²	60.7	30%	0.301	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	118.7	170.4	-57.9	0	0	0	0	108.8	C133 Y134 Q146 L150	C133-T148 VanDerWaalsContact CA-O 3.25Å; C133-T148 WeakPolarHBondContact CA-O 3.27Å; Y134-T148 HydrophobicContact CD1-CG2 4.33Å; Y134-T148 HydrophobicContact CE1-CG2 3.62Å; Y134-T148 PolarHBondContact N-O 2.87Å; Y134-T148 PolarHBondContact O-N 2.8Å; Q146-T148 PolarHBondContact O-N 3.48Å; T148-L150 HydrophobicContact CG2-CD2 4.08Å; T148-L150 HydrophobicContact CG2-CG 4.45Å
149	D	98.6	Very high	97.6	Very high	63 Å²	63	53.3 Å²	53.3	34%	0.337	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	116	173.9	-172.6	-16.7	0	0	0	109.5	T151	D149-T151 WeakPolarHBondContact OD1-CB 3.36Å; D149-T151 PolarHBondContact OD1-N 3.04Å; D149-T151 PolarHBondContact OD1-OG1 2.8Å
150	L	98.6	Very high	97.5	Very high	12 Å²	12	56.6 Å²	56.6	6%	0.063	30%	0.304	C	S	.	.			trans	-98.4	2.3	-178.8	-71.4	-176.6	0	0	0	113.1	F109 L132 Y134 T148 E152 S153 V154 W218	F109-L150 HydrophobicContact CE1-CD1 3.78Å; F109-L150 HydrophobicContact CZ-CD1 4.36Å; L132-L150 HydrophobicContact CB-CB 4.43Å; L132-L150 HydrophobicContact CD2-CB 4.1Å; L132-L150 HydrophobicContact CG-CB 4.1Å; L132-L150 PolarHBondContact O-N 3.08Å; Y134-L150 HydrophobicContact CD1-CD1 3.5Å; Y134-L150 VanDerWaalsContact CD1-CD1 3.5Å; Y134-L150 HydrophobicContact CD1-CD2 4.49Å; Y134-L150 HydrophobicContact CD1-CG 3.89Å; Y134-L150 HydrophobicContact CE1-CD1 3.71Å; Y134-L150 HydrophobicContact CE1-CD2 4Å; Y134-L150 HydrophobicContact CE1-CG 3.9Å; T148-L150 HydrophobicContact CG2-CD2 4.08Å; T148-L150 HydrophobicContact CG2-CG 4.45Å; L150-E152 PolarHBondContact O-N 3Å; L150-S153 PolarHBondContact O-N 2.86Å; L150-S153 PolarHBondContact O-OG 2.92Å; L150-V154 HydrophobicContact CB-CB 4.27Å; L150-V154 HydrophobicContact CB-CG2 3.75Å; L150-V154 HydrophobicContact CD1-CG2 4.18Å; L150-V154 HydrophobicContact CD2-CG2 4Å; L150-V154 HydrophobicContact CG-CG2 4.2Å; L150-V154 VanDerWaalsContact O-CB 3.25Å; L150-V154 WeakPolarHBondContact O-CB 3.26Å; L150-V154 PolarHBondContact O-N 3.4Å; L150-W218 HydrophobicContact CD1-CB 4.33Å; L150-W218 HydrophobicContact CD1-CG 4.02Å
151	T	98.4	Very high	97.6	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.006	32%	0.32	C	S	.	.	I	π-helix	trans	-57.9	-50.6	-170.5	-52.2	0	0	0	0	111.8	R131 L132 D149 I155 G156 I159	R131-T151 WeakPolarHBondContact CA-OG1 3.22Å; R131-T151 WeakPolarHBondContact CB-OG1 3.33Å; R131-T151 VanDerWaalsContact CD-OG1 3.31Å; R131-T151 WeakPolarHBondContact CD-OG1 3.11Å; L132-T151 PolarHBondContact N-OG1 3.35Å; D149-T151 WeakPolarHBondContact OD1-CB 3.36Å; D149-T151 PolarHBondContact OD1-N 3.04Å; D149-T151 PolarHBondContact OD1-OG1 2.8Å; T151-I155 WeakPolarHBondContact O-CA 3.1Å; T151-I155 VanDerWaalsContact O-CB 3.27Å; T151-I155 WeakPolarHBondContact O-CB 3.48Å; T151-I155 PolarHBondContact O-N 3.35Å; T151-I155 VanDerWaalsContact O-N 3.07Å; T151-G156 PolarHBondContact O-N 2.98Å; T151-I159 HydrophobicContact CG2-CD1 3.96Å
152	E	98.1	Very high	97.7	Very high	122 Å²	122	61.4 Å²	61.4	57%	0.57	32%	0.323	S	S	*	.	I	π-helix	trans	-74.8	-40.3	-176.3	-56.8	-57.4	149.2	0	0	112	R131 L150 G156	R131-E152 IonicContact NH1-OE1 2.91Å; R131-E152 PolarHBondContact NH1-OE1 3.19Å; L150-E152 PolarHBondContact O-N 3Å; E152-G156 VanDerWaalsContact O-CA 3.27Å; E152-G156 WeakPolarHBondContact O-CA 3.34Å; E152-G156 PolarHBondContact O-N 3.33Å
153	S	98.1	Very high	97.8	Very high	90 Å²	90	56.4 Å²	56.4	63%	0.629	30%	0.299	S	S	*	.	I	π-helix	trans	-75.5	-29.7	-175.9	53.2	0	0	0	0	114	L150	L150-S153 PolarHBondContact O-N 2.86Å; L150-S153 PolarHBondContact O-OG 2.92Å
154	V	98.1	Very high	97.9	Very high	16 Å²	16	52.5 Å²	52.5	10%	0.097	28%	0.275	C	S	.	.	I	π-helix	trans	-108.3	-43.7	-173	-179.8	0	0	0	0	112.2	L132 L150 V209 W218 I220	L132-V154 HydrophobicContact CD2-CB 4.46Å; L132-V154 HydrophobicContact CD2-CG1 4.24Å; L150-V154 HydrophobicContact CB-CB 4.27Å; L150-V154 HydrophobicContact CB-CG2 3.75Å; L150-V154 HydrophobicContact CD1-CG2 4.18Å; L150-V154 HydrophobicContact CD2-CG2 4Å; L150-V154 HydrophobicContact CG-CG2 4.2Å; L150-V154 VanDerWaalsContact O-CB 3.25Å; L150-V154 WeakPolarHBondContact O-CB 3.26Å; L150-V154 PolarHBondContact O-N 3.4Å; V154-V209 HydrophobicContact CG1-CG1 4.02Å; V154-W218 HydrophobicContact CG1-CB 4.26Å; V154-W218 HydrophobicContact CG2-CB 3.62Å; V154-I220 HydrophobicContact CG1-CG2 3.65Å
155	I	98.1	Very high	97.9	Very high	9 Å²	9	51.3 Å²	51.3	5%	0.046	27%	0.271	C	S	.	.	I	π-helix	trans	-88.2	-45.1	179.5	-57.9	172	0	0	0	110.2	L132 T151 E157 A158 I159 W162 F165	L132-I155 HydrophobicContact CB-CD1 3.92Å; L132-I155 HydrophobicContact CD2-CD1 4.27Å; L132-I155 HydrophobicContact CD2-CG1 4.38Å; T151-I155 WeakPolarHBondContact O-CA 3.1Å; T151-I155 VanDerWaalsContact O-CB 3.27Å; T151-I155 WeakPolarHBondContact O-CB 3.48Å; T151-I155 PolarHBondContact O-N 3.35Å; T151-I155 VanDerWaalsContact O-N 3.07Å; I155-E157 PolarHBondContact O-N 2.91Å; I155-A158 HydrophobicContact CG2-CB 4.11Å; I155-A158 VanDerWaalsContact O-CB 3.27Å; I155-A158 WeakPolarHBondContact O-CB 3.47Å; I155-A158 PolarHBondContact O-N 3.18Å; I155-A158 VanDerWaalsContact O-N 3.13Å; I155-I159 HydrophobicContact CD1-CD1 4.5Å; I155-I159 HydrophobicContact CG2-CB 3.94Å; I155-I159 HydrophobicContact CG2-CD1 3.93Å; I155-W162 HydrophobicContact CB-CZ3 4.35Å; I155-W162 HydrophobicContact CD1-CE3 4.37Å; I155-W162 HydrophobicContact CD1-CZ3 3.78Å; I155-W162 HydrophobicContact CG1-CH2 4.29Å; I155-W162 HydrophobicContact CG1-CZ3 3.86Å; I155-W162 HydrophobicContact CG2-CD2 4.35Å; I155-W162 HydrophobicContact CG2-CE3 3.78Å; I155-W162 HydrophobicContact CG2-CH2 3.98Å; I155-W162 HydrophobicContact CG2-CZ2 4.49Å; I155-W162 HydrophobicContact CG2-CZ3 3.59Å; I155-F165 HydrophobicContact CD1-CD1 4.15Å; I155-F165 HydrophobicContact CD1-CD2 4.05Å; I155-F165 HydrophobicContact CD1-CE1 3.64Å; I155-F165 HydrophobicContact CD1-CE2 3.54Å; I155-F165 HydrophobicContact CD1-CG 4.33Å; I155-F165 HydrophobicContact CD1-CZ 3.3Å
156	G	97.6	Very high	97.9	Very high	18 Å²	18	49.4 Å²	49.4	19%	0.186	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	48.5	-134	179.1	0	0	0	0	0	112.5	T151 E152 A158 I159	T151-G156 PolarHBondContact O-N 2.98Å; E152-G156 VanDerWaalsContact O-CA 3.27Å; E152-G156 WeakPolarHBondContact O-CA 3.34Å; E152-G156 PolarHBondContact O-N 3.33Å; G156-A158 PolarHBondContact O-N 3.38Å; G156-I159 VanDerWaalsContact O-CB 3.27Å; G156-I159 WeakPolarHBondContact O-CB 3.3Å; G156-I159 WeakPolarHBondContact O-CG2 3.42Å; G156-I159 PolarHBondContact O-N 3.28Å
157	E	96.9	Very high	97.9	Very high	153 Å²	153	42 Å²	42	72%	0.715	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-57.8	-22.1	-177.7	-66.5	-59.3	137.4	0	0	114.7	I155 I159 H160	I155-E157 PolarHBondContact O-N 2.91Å; E157-I159 PolarHBondContact O-N 3.49Å; E157-I159 VanDerWaalsContact O-N 3.16Å; E157-H160 PolarHBondContact O-N 2.92Å; E157-H160 IonicContact OE2-CD2 3.36Å; E157-H160 PolarHBondContact OE2-CD2 3.08Å; E157-H160 IonicContact OE2-NE2 3.74Å
158	A	96.7	Very high	97.7	Very high	28 Å²	28	40.7 Å²	40.7	23%	0.231	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-60.8	-25.7	177	0	0	0	0	0	112	I155 G156 H160 K161 W162 I220	I155-A158 HydrophobicContact CG2-CB 4.11Å; I155-A158 VanDerWaalsContact O-CB 3.27Å; I155-A158 WeakPolarHBondContact O-CB 3.47Å; I155-A158 PolarHBondContact O-N 3.18Å; I155-A158 VanDerWaalsContact O-N 3.13Å; G156-A158 PolarHBondContact O-N 3.38Å; A158-H160 PolarHBondContact O-N 2.68Å; A158-H160 VanDerWaalsContact O-N 3.1Å; A158-K161 PolarHBondContact O-N 3.1Å; A158-W162 HydrophobicContact CB-CZ2 4Å; A158-W162 PolarHBondContact O-NE1 3.16Å; A158-I220 HydrophobicContact CB-CD1 4.14Å
159	I	97.2	Very high	97.6	Very high	25 Å²	25	38.4 Å²	38.4	13%	0.128	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-53.8	-32.9	178.8	-159.5	77.7	0	0	0	112	N128 T151 I155 G156 E157 K161 W162 F165	N128-I159 HydrophobicContact CB-CG1 4.41Å; N128-I159 WeakPolarHBondContact ND2-CD1 3.19Å; T151-I159 HydrophobicContact CG2-CD1 3.96Å; I155-I159 HydrophobicContact CD1-CD1 4.5Å; I155-I159 HydrophobicContact CG2-CB 3.94Å; I155-I159 HydrophobicContact CG2-CD1 3.93Å; G156-I159 VanDerWaalsContact O-CB 3.27Å; G156-I159 WeakPolarHBondContact O-CB 3.3Å; G156-I159 WeakPolarHBondContact O-CG2 3.42Å; G156-I159 PolarHBondContact O-N 3.28Å; E157-I159 PolarHBondContact O-N 3.49Å; E157-I159 VanDerWaalsContact O-N 3.16Å; I159-K161 VanDerWaalsContact C-N 3.25Å; I159-K161 PolarHBondContact O-N 2.9Å; I159-W162 PolarHBondContact O-N 2.88Å; I159-W162 VanDerWaalsContact O-N 3.08Å; I159-W162 VanDerWaalsContact O-O 3.07Å; I159-F165 HydrophobicContact CD1-CD1 4.19Å; I159-F165 HydrophobicContact CD1-CE1 3.6Å
160	H	95.3	Very high	97.6	Very high	115 Å²	115	35.4 Å²	35.4	53%	0.532	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-70.8	-21.2	-178.8	-64.6	-51.6	0	0	0	113.6	E157 A158 R192	E157-H160 PolarHBondContact O-N 2.92Å; E157-H160 IonicContact OE2-CD2 3.36Å; E157-H160 PolarHBondContact OE2-CD2 3.08Å; E157-H160 IonicContact OE2-NE2 3.74Å; A158-H160 PolarHBondContact O-N 2.68Å; A158-H160 VanDerWaalsContact O-N 3.1Å; H160-R192 PolarHBondContact O-NH2 2.79Å
161	K	97	Very high	97.6	Very high	124 Å²	124	35.7 Å²	35.7	54%	0.539	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-94.3	-0.1	174	-63.4	-175.9	-178.6	174.3	0	112.2	A158 I159 Y188 I189	A158-K161 PolarHBondContact O-N 3.1Å; I159-K161 VanDerWaalsContact C-N 3.25Å; I159-K161 PolarHBondContact O-N 2.9Å; K161-Y188 HydrophobicContact CB-CD2 4.23Å; K161-Y188 HydrophobicContact CB-CE2 3.92Å; K161-Y188 HydrophobicContact CD-CE2 4.14Å; K161-I189 PolarHBondContact O-N 3.36Å
162	W	98.1	Very high	97.6	Very high	13 Å²	13	36.1 Å²	36.1	5%	0.049	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.8	-175.7	-59.8	2	0	0	0	109.8	N128 I155 A158 I159 F165 A186 Y187 L207 I220 M223	N128-W162 PolarHBondContact ND2-O 3.46Å; N128-W162 VanDerWaalsContact ND2-O 3.13Å; I155-W162 HydrophobicContact CB-CZ3 4.35Å; I155-W162 HydrophobicContact CD1-CE3 4.37Å; I155-W162 HydrophobicContact CD1-CZ3 3.78Å; I155-W162 HydrophobicContact CG1-CH2 4.29Å; I155-W162 HydrophobicContact CG1-CZ3 3.86Å; I155-W162 HydrophobicContact CG2-CD2 4.35Å; I155-W162 HydrophobicContact CG2-CE3 3.78Å; I155-W162 HydrophobicContact CG2-CH2 3.98Å; I155-W162 HydrophobicContact CG2-CZ2 4.49Å; I155-W162 HydrophobicContact CG2-CZ3 3.59Å; A158-W162 HydrophobicContact CB-CZ2 4Å; A158-W162 PolarHBondContact O-NE1 3.16Å; I159-W162 PolarHBondContact O-N 2.88Å; I159-W162 VanDerWaalsContact O-N 3.08Å; I159-W162 VanDerWaalsContact O-O 3.07Å; W162-F165 HydrophobicContact CE3-CB 3.79Å; W162-F165 AromaticContact CE3-CD1 3.76Å; W162-F165 HydrophobicContact CE3-CD1 3.76Å; W162-F165 AromaticContact CE3-CG 3.87Å; W162-F165 HydrophobicContact CE3-CG 3.87Å; W162-F165 HydrophobicContact CZ3-CB 4.07Å; W162-F165 HydrophobicContact CZ3-CD1 4.26Å; W162-F165 HydrophobicContact CZ3-CG 4.05Å; W162-A186 HydrophobicContact CB-CB 4.38Å; W162-A186 HydrophobicContact CD2-CB 3.48Å; W162-A186 VanDerWaalsContact CD2-CB 3.48Å; W162-A186 HydrophobicContact CE3-CB 3.66Å; W162-A186 HydrophobicContact CG-CB 3.79Å; W162-A186 HydrophobicContact CH2-CB 4.37Å; W162-A186 HydrophobicContact CZ2-CB 4.25Å; W162-A186 HydrophobicContact CZ3-CB 4.09Å; W162-Y187 CarbonylContact C-O 3.52Å; W162-Y187 WeakPolarHBondContact CA-O 3.4Å; W162-L207 HydrophobicContact CH2-CD2 4.02Å; W162-L207 HydrophobicContact CZ2-CD2 4.1Å; W162-I220 HydrophobicContact CH2-CD1 4.07Å; W162-I220 HydrophobicContact CZ2-CD1 4.04Å; W162-M223 HydrophobicContact CD2-CE 4.29Å; W162-M223 HydrophobicContact CG-CE 4.47Å; W162-M223 HydrophobicContact CZ2-CE 3.59Å
163	A	98.3	Very high	97.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	-44.1	174.8	0	0	0	0	0	110.9	Q122 I123 N128 Y187 I189 V202	Q122-A163 WeakPolarHBondContact CB-O 3.16Å; I123-A163 HydrophobicContact CG1-CB 4.35Å; N128-A163 VanDerWaalsContact CA-O 3.32Å; N128-A163 WeakPolarHBondContact CA-O 3.32Å; N128-A163 WeakPolarHBondContact CB-O 3.35Å; A163-Y187 PolarHBondContact N-O 2.77Å; A163-I189 HydrophobicContact CB-CD1 3.83Å; A163-I189 HydrophobicContact CB-CG1 3.97Å; A163-V202 HydrophobicContact CB-CG1 4.11Å
164	T	98.6	Very high	97.6	Very high	7 Å²	7	28 Å²	28	4%	0.043	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	172.5	170.4	-175.2	0	0	0	0	107.9	E119 Q122 T130 Y187	E119-T164 HydrophobicContact CG-CG2 3.73Å; Q122-T164 HydrophobicContact CB-CG2 4.47Å; Q122-T164 PolarHBondContact NE2-OG1 2.88Å; T130-T164 PolarHBondContact OG1-OG1 2.76Å; T164-Y187 HydrophobicContact CG2-CD2 3.59Å; T164-Y187 HydrophobicContact CG2-CE2 4.19Å; T164-Y187 HydrophobicContact CG2-CG 4.31Å; T164-Y187 PolarHBondContact O-N 3.34Å
165	F	98.8	Very high	97.6	Very high	8 Å²	8	27.5 Å²	27.5	4%	0.035	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	170.2	177.8	63.3	-87	0	0	0	110.3	I111 T130 L132 I155 I159 W162 Y185 A186	I111-F165 HydrophobicContact CG2-CD2 4.18Å; I111-F165 HydrophobicContact CG2-CE2 3.92Å; T130-F165 HydrophobicContact CG2-CD1 4.3Å; T130-F165 HydrophobicContact CG2-CD2 4.4Å; T130-F165 HydrophobicContact CG2-CE1 3.95Å; T130-F165 HydrophobicContact CG2-CE2 4.05Å; T130-F165 HydrophobicContact CG2-CZ 3.83Å; T130-F165 WeakPolarHBondContact CG2-O 3.27Å; T130-F165 WeakPolarHBondContact O-CE1 3.24Å; L132-F165 HydrophobicContact CB-CE2 3.74Å; L132-F165 HydrophobicContact CB-CZ 4.05Å; L132-F165 HydrophobicContact CD1-CE2 4.5Å; I155-F165 HydrophobicContact CD1-CD1 4.15Å; I155-F165 HydrophobicContact CD1-CD2 4.05Å; I155-F165 HydrophobicContact CD1-CE1 3.64Å; I155-F165 HydrophobicContact CD1-CE2 3.54Å; I155-F165 HydrophobicContact CD1-CG 4.33Å; I155-F165 HydrophobicContact CD1-CZ 3.3Å; I159-F165 HydrophobicContact CD1-CD1 4.19Å; I159-F165 HydrophobicContact CD1-CE1 3.6Å; W162-F165 HydrophobicContact CE3-CB 3.79Å; W162-F165 AromaticContact CE3-CD1 3.76Å; W162-F165 HydrophobicContact CE3-CD1 3.76Å; W162-F165 AromaticContact CE3-CG 3.87Å; W162-F165 HydrophobicContact CE3-CG 3.87Å; W162-F165 HydrophobicContact CZ3-CB 4.07Å; W162-F165 HydrophobicContact CZ3-CD1 4.26Å; W162-F165 HydrophobicContact CZ3-CG 4.05Å; F165-Y185 CarbonylContact C-O 3.56Å; F165-Y185 WeakPolarHBondContact CA-O 3.46Å; F165-Y185 WeakPolarHBondContact CB-O 3.42Å; F165-A186 HydrophobicContact CB-CB 3.87Å
166	A	98.6	Very high	97.4	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.008	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	166.3	166.4	0	0	0	0	0	112.1	N94 I111 A184 Y185	N94-A166 VanDerWaalsContact ND2-CB 3.31Å; N94-A166 WeakPolarHBondContact ND2-CB 3.45Å; I111-A166 HydrophobicContact CD1-CB 3.86Å; I111-A166 HydrophobicContact CG2-CB 4.31Å; A166-A184 CarbonylContact O-C 3.56Å; A166-A184 VanDerWaalsContact O-CA 3.28Å; A166-A184 WeakPolarHBondContact O-CA 3.29Å; A166-A184 WeakPolarHBondContact O-CB 3.25Å; A166-Y185 HydrophobicContact CB-CD1 4.41Å; A166-Y185 HydrophobicContact CB-CE1 3.64Å; A166-Y185 HydrophobicContact CB-CE2 4.38Å; A166-Y185 PolarHBondContact N-O 3.45Å; A166-Y185 PolarHBondContact O-N 3.04Å
167	V	98.2	Very high	97.3	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	154.5	165.7	-65	0	0	0	0	110	N94 C96 F109 L132 I182 P183 A184	N94-V167 WeakPolarHBondContact CB-O 3.35Å; N94-V167 WeakPolarHBondContact O-CG2 3.26Å; C96-V167 HydrophobicContact CB-CB 4.35Å; C96-V167 HydrophobicContact CB-CG2 3.99Å; F109-V167 HydrophobicContact CB-CG2 4.23Å; L132-V167 HydrophobicContact CD1-CG1 3.46Å; L132-V167 VanDerWaalsContact CD1-CG1 3.46Å; V167-I182 HydrophobicContact CB-CG2 3.94Å; V167-I182 HydrophobicContact CG1-CG2 3.89Å; V167-P183 CarbonylContact C-O 3.58Å; V167-P183 WeakPolarHBondContact CA-O 3.43Å; V167-A184 HydrophobicContact CG1-CB 4.38Å
168	G	93.4	Very high	97.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.			trans	39	-117.4	-178.5	0	0	0	0	0	112.9	P183	G168-P183 PolarHBondContact N-O 2.72Å
169	P	97.6	Very high	97.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.156	C	C	.	.	S	Bend	cis	-75.4	172.3	-2.8	30.9	-32.9	0	0	0	112	I31 N94 Q285 Y361	I31-P169 HydrophobicContact CG2-CB 3.25Å; I31-P169 HydrophobicContact CG2-CG 3.47Å; I31-P169 VanDerWaalsContact CG2-CG 3.47Å; N94-P169 HydrophobicContact CB-CB 4.06Å; P169-Q285 HydrophobicContact CG-CG 4.11Å; P169-Y361 HydrophobicContact CG-CD2 3.92Å; P169-Y361 HydrophobicContact CG-CE2 3.79Å
170	G	98.5	Very high	97.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	124.2	-126	-174.7	0	0	0	0	0	109.3	A33 P95 C96 P97 E232 D363	A33-G170 WeakPolarHBondContact CB-O 3.36Å; P95-G170 PolarHBondContact O-N 3.48Å; C96-G170 WeakPolarHBondContact CA-O 3.4Å; P97-G170 VanDerWaalsContact CD-O 3.26Å; P97-G170 WeakPolarHBondContact CD-O 3.1Å; G170-E232 WeakPolarHBondContact CA-OE1 3.18Å; G170-D363 VanDerWaalsContact CA-CG 3.48Å; G170-D363 WeakPolarHBondContact CA-OD2 3.33Å
171	H	98.8	Very high	97.6	Very high	19 Å²	19	24.8 Å²	24.8	9%	0.088	13%	0.125	C	C	.	.			trans	-128.6	162.1	177.5	62.6	-81.1	0	0	0	113.1	C96 P183 E232 I288 D363	C96-H171 VanDerWaalsContact SG-C 3.53Å; H171-P183 WeakPolarHBondContact O-CG 3.38Å; H171-E232 IonicContact CE1-OE2 3.14Å; H171-E232 PolarHBondContact CE1-OE2 3.39Å; H171-E232 IonicContact ND1-OE2 3.8Å; H171-I288 PolarHBondContact CE1-O 3.15Å; H171-I288 VanDerWaalsContact CE1-O 3.29Å; H171-I288 PolarHBondContact NE2-O 3.38Å; H171-D363 IonicContact CE1-OD1 3.22Å; H171-D363 IonicContact CG-OD1 3.83Å; H171-D363 PolarHBondContact N-OD2 2.85Å; H171-D363 IonicContact ND1-OD1 3.42Å; H171-D363 PolarHBondContact ND1-OD1 2.76Å; H171-D363 IonicContact ND1-OD2 3.14Å
172	G	98.6	Very high	97.6	Very high	9 Å²	9	18.9 Å²	18.9	9%	0.093	10%	0.099	C	C	.	.			trans	-97.7	171.9	165.1	0	0	0	0	0	111.6	P97 I181	P97-G172 PolarHBondContact O-N 2.91Å; G172-I181 CarbonylContact C-O 3.57Å; G172-I181 WeakPolarHBondContact CA-O 3.42Å
173	V	98.3	Very high	97.7	Very high	28 Å²	28	18.3 Å²	18.3	17%	0.17	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.9	-177.6	62.7	0	0	0	0	111.1	L175 I181 L245	V173-L175 HydrophobicContact CG1-CD2 4Å; V173-L175 HydrophobicContact CG2-CD2 4.36Å; V173-I181 HydrophobicContact CG1-CB 3.79Å; V173-I181 HydrophobicContact CG1-CG1 4.26Å; V173-I181 HydrophobicContact CG1-CG2 4.35Å; V173-I181 PolarHBondContact N-O 2.98Å; V173-I181 PolarHBondContact O-N 3.25Å; V173-L245 HydrophobicContact CG1-CD1 4.33Å
174	Q	98.2	Very high	97.7	Very high	14 Å²	14	18.6 Å²	18.6	7%	0.065	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	121	163.8	-175.3	173.8	33.6	0	0	108.7	Y99 E100 K101 N102 G178 R179 L180	Y99-Q174 PolarHBondContact O-OE1 2.93Å; E100-Q174 PolarHBondContact OE1-NE2 3.14Å; K101-Q174 VanDerWaalsContact CB-OE1 3.27Å; N102-Q174 PolarHBondContact OD1-NE2 3.15Å; Q174-G178 PolarHBondContact NE2-O 3.01Å; Q174-R179 WeakPolarHBondContact CA-O 3.4Å; Q174-L180 HydrophobicContact CB-CD2 3.68Å; Q174-L180 HydrophobicContact CG-CD2 3.76Å
175	L	97.6	Very high	97.7	Very high	5 Å²	5	18.8 Å²	18.8	3%	0.026	10%	0.1	C	C	.	.			trans	-73.9	164.6	179.9	-54.9	-171.7	0	0	0	111.9	V173 N177 G178 R179 I181 E235 L245 S264	V173-L175 HydrophobicContact CG1-CD2 4Å; V173-L175 HydrophobicContact CG2-CD2 4.36Å; L175-N177 WeakPolarHBondContact CB-OD1 3.45Å; L175-N177 PolarHBondContact O-N 2.9Å; L175-G178 WeakPolarHBondContact O-CA 3.4Å; L175-G178 PolarHBondContact O-N 2.9Å; L175-R179 HydrophobicContact CD1-CB 4.27Å; L175-R179 PolarHBondContact N-O 2.76Å; L175-I181 HydrophobicContact CD1-CD1 4.2Å; L175-I181 HydrophobicContact CD1-CG1 3.93Å; L175-I181 HydrophobicContact CD2-CG1 4.07Å; L175-I181 HydrophobicContact CG-CG1 3.9Å; L175-E235 VanDerWaalsContact CA-OE2 3.26Å; L175-E235 WeakPolarHBondContact CA-OE2 3.26Å; L175-E235 WeakPolarHBondContact CB-OE1 3.35Å; L175-E235 HydrophobicContact CD2-CB 3.74Å; L175-E235 HydrophobicContact CD2-CG 3.98Å; L175-L245 HydrophobicContact CD2-CD1 3.92Å; L175-S264 VanDerWaalsContact CD1-CB 3.49Å
176	E	94.2	Very high	97.7	Very high	150 Å²	150	18.4 Å²	18.4	70%	0.701	10%	0.098	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-32.8	176.4	-74.6	-153.2	154.3	0	0	112.7	G178 E235 I237	E176-G178 PolarHBondContact O-N 2.77Å; E176-E235 VanDerWaalsContact N-CD 3.33Å; E176-E235 PolarHBondContact N-OE1 2.9Å; E176-E235 PolarHBondContact N-OE2 3.47Å; E176-I237 HydrophobicContact CG-CD1 4.05Å; E176-I237 HydrophobicContact CG-CG1 4.41Å
177	N	93.7	Very high	97.7	Very high	94 Å²	94	19.9 Å²	19.9	50%	0.503	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	3.1	174.3	71	11.5	0	0	0	114	L175 R179 S264	L175-N177 WeakPolarHBondContact CB-OD1 3.45Å; L175-N177 PolarHBondContact O-N 2.9Å; N177-R179 VanDerWaalsContact C-N 3.32Å; N177-R179 PolarHBondContact O-N 3.06Å; N177-R179 WeakPolarHBondContact OD1-CB 3.11Å; N177-R179 PolarHBondContact OD1-N 3.13Å; N177-S264 PolarHBondContact ND2-OG 2.86Å
178	G	96.8	Very high	97.7	Very high	18 Å²	18	22.7 Å²	22.7	19%	0.186	11%	0.114	C	C	.	.	S	Bend	trans	86.6	-9.8	178.3	0	0	0	0	0	114.9	Q174 L175 E176 L180	Q174-G178 PolarHBondContact NE2-O 3.01Å; L175-G178 WeakPolarHBondContact O-CA 3.4Å; L175-G178 PolarHBondContact O-N 2.9Å; E176-G178 PolarHBondContact O-N 2.77Å; G178-L180 PolarHBondContact O-N 3.07Å
179	R	98	Very high	97.9	Very high	30 Å²	30	23 Å²	23	11%	0.113	12%	0.116	C	C	.	.			trans	-64.1	132.4	179.3	-173	-179.2	-71	-177.5	3.2	110.5	Q174 L175 N177 I181 Y210 S211 E212 N263 S264	Q174-R179 WeakPolarHBondContact CA-O 3.4Å; L175-R179 HydrophobicContact CD1-CB 4.27Å; L175-R179 PolarHBondContact N-O 2.76Å; N177-R179 VanDerWaalsContact C-N 3.32Å; N177-R179 PolarHBondContact O-N 3.06Å; N177-R179 WeakPolarHBondContact OD1-CB 3.11Å; N177-R179 PolarHBondContact OD1-N 3.13Å; R179-I181 HydrophobicContact CG-CD1 4.03Å; R179-Y210 HydrophobicContact CG-CD2 4.47Å; R179-S211 WeakPolarHBondContact CA-O 3.44Å; R179-S211 VanDerWaalsContact CG-O 3.27Å; R179-S211 WeakPolarHBondContact CG-O 3.23Å; R179-E212 HydrophobicContact CG-CG 4.21Å; R179-E212 IonicContact CZ-OE1 3.93Å; R179-E212 VanDerWaalsContact CZ-OE1 3.32Å; R179-E212 IonicContact NE-OE1 3.32Å; R179-E212 PolarHBondContact NE-OE1 3.44Å; R179-E212 IonicContact NH2-OE1 3.04Å; R179-E212 PolarHBondContact NH2-OE1 2.89Å; R179-N263 PolarHBondContact NH1-O 3.23Å; R179-S264 WeakPolarHBondContact CD-O 3.32Å; R179-S264 VanDerWaalsContact NH1-CB 3.3Å; R179-S264 PolarHBondContact NH1-O 2.81Å
180	L	98.8	Very high	97.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	137.1	171.2	-60.4	176.5	0	0	0	109.9	V98 E100 F107 Q174 G178 Y210 S211 W218	V98-L180 HydrophobicContact CG2-CD2 4.01Å; E100-L180 HydrophobicContact CB-CD1 4.01Å; E100-L180 HydrophobicContact CB-CD2 4.01Å; E100-L180 HydrophobicContact CG-CD1 3.78Å; E100-L180 HydrophobicContact CG-CD2 3.94Å; E100-L180 HydrophobicContact CG-CG 4.15Å; F107-L180 HydrophobicContact CD2-CD1 4.33Å; F107-L180 HydrophobicContact CE2-CD1 4.17Å; Q174-L180 HydrophobicContact CB-CD2 3.68Å; Q174-L180 HydrophobicContact CG-CD2 3.76Å; G178-L180 PolarHBondContact O-N 3.07Å; L180-Y210 CarbonylContact O-C 3.54Å; L180-Y210 WeakPolarHBondContact O-CA 3.49Å; L180-Y210 VanDerWaalsContact O-CB 3.26Å; L180-Y210 WeakPolarHBondContact O-CB 3.17Å; L180-S211 PolarHBondContact N-O 2.83Å; L180-S211 PolarHBondContact O-N 3.12Å; L180-W218 HydrophobicContact CB-CH2 3.83Å; L180-W218 HydrophobicContact CB-CZ3 4.06Å; L180-W218 HydrophobicContact CD1-CH2 3.72Å; L180-W218 HydrophobicContact CD1-CZ2 4.03Å; L180-W218 HydrophobicContact CG-CH2 4.45Å
181	I	98.8	Very high	97.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.4	176.9	-55.1	-62.8	0	0	0	109	G172 V173 L175 R179 M233 L245 S264	G172-I181 CarbonylContact C-O 3.57Å; G172-I181 WeakPolarHBondContact CA-O 3.42Å; V173-I181 HydrophobicContact CG1-CB 3.79Å; V173-I181 HydrophobicContact CG1-CG1 4.26Å; V173-I181 HydrophobicContact CG1-CG2 4.35Å; V173-I181 PolarHBondContact N-O 2.98Å; V173-I181 PolarHBondContact O-N 3.25Å; L175-I181 HydrophobicContact CD1-CD1 4.2Å; L175-I181 HydrophobicContact CD1-CG1 3.93Å; L175-I181 HydrophobicContact CD2-CG1 4.07Å; L175-I181 HydrophobicContact CG-CG1 3.9Å; R179-I181 HydrophobicContact CG-CD1 4.03Å; I181-M233 HydrophobicContact CG2-CB 4.38Å; I181-M233 HydrophobicContact CG2-SD 3.57Å; I181-M233 VanDerWaalsContact CG2-SD 3.57Å; I181-L245 HydrophobicContact CD1-CD2 4.13Å; I181-L245 HydrophobicContact CG1-CD1 4.38Å; I181-L245 HydrophobicContact CG1-CD2 4.13Å; I181-L245 HydrophobicContact CG2-CD2 3.96Å; I181-S264 WeakPolarHBondContact CD1-O 3.47Å
182	I	98.9	Very high	97.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	118.5	168.3	-49.3	-59	0	0	0	107.4	V98 F109 V167 V209 W218	V98-I182 HydrophobicContact CB-CD1 3.81Å; V98-I182 HydrophobicContact CG1-CD1 3.42Å; V98-I182 VanDerWaalsContact CG1-CD1 3.42Å; F109-I182 HydrophobicContact CB-CG2 4.09Å; F109-I182 HydrophobicContact CD1-CG1 4.24Å; F109-I182 HydrophobicContact CD1-CG2 4.41Å; F109-I182 HydrophobicContact CD2-CD1 3.45Å; F109-I182 VanDerWaalsContact CD2-CD1 3.45Å; F109-I182 HydrophobicContact CD2-CG1 3.73Å; F109-I182 HydrophobicContact CE1-CG1 4.28Å; F109-I182 HydrophobicContact CE2-CD1 3.72Å; F109-I182 HydrophobicContact CE2-CG1 3.8Å; F109-I182 HydrophobicContact CG-CD1 4.06Å; F109-I182 HydrophobicContact CG-CG1 3.97Å; F109-I182 HydrophobicContact CG-CG2 4.11Å; F109-I182 HydrophobicContact CZ-CD1 4.5Å; F109-I182 HydrophobicContact CZ-CG1 4.1Å; V167-I182 HydrophobicContact CB-CG2 3.94Å; V167-I182 HydrophobicContact CG1-CG2 3.89Å; I182-V209 HydrophobicContact CB-CB 4.19Å; I182-V209 PolarHBondContact N-O 3.5Å; I182-V209 PolarHBondContact O-N 2.59Å; I182-W218 HydrophobicContact CD1-CH2 4.39Å; I182-W218 HydrophobicContact CD1-CZ3 4.38Å; I182-W218 HydrophobicContact CG1-CH2 4.16Å; I182-W218 HydrophobicContact CG1-CZ3 3.71Å
183	P	98.8	Very high	97.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	142.5	172.7	26.4	-32.8	0	0	0	110.4	V167 G168 H171 C231 M233	V167-P183 CarbonylContact C-O 3.58Å; V167-P183 WeakPolarHBondContact CA-O 3.43Å; G168-P183 PolarHBondContact N-O 2.72Å; H171-P183 WeakPolarHBondContact O-CG 3.38Å; P183-C231 VanDerWaalsContact CB-O 3.23Å; P183-C231 WeakPolarHBondContact CB-O 3.38Å; P183-M233 HydrophobicContact CB-CE 4.28Å; P183-M233 HydrophobicContact CB-CG 4.17Å; P183-M233 HydrophobicContact CB-SD 4.36Å
184	A	98.8	Very high	96.8	Very high	6 Å²	6	43 Å²	43	5%	0.05	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	167.1	179.4	0	0	0	0	0	111.9	A166 V167 A206 L207 V209 C231	A166-A184 CarbonylContact O-C 3.56Å; A166-A184 VanDerWaalsContact O-CA 3.28Å; A166-A184 WeakPolarHBondContact O-CA 3.29Å; A166-A184 WeakPolarHBondContact O-CB 3.25Å; V167-A184 HydrophobicContact CG1-CB 4.38Å; A184-A206 CarbonylContact O-C 3.05Å; A184-A206 VanDerWaalsContact O-CA 3.27Å; A184-A206 WeakPolarHBondContact O-CA 3.48Å; A184-L207 CarbonylContact C-O 3.56Å; A184-L207 HydrophobicContact CB-CD1 3.96Å; A184-L207 HydrophobicContact CB-CG 4.19Å; A184-L207 PolarHBondContact N-O 2.91Å; A184-L207 PolarHBondContact O-N 3.49Å; A184-V209 HydrophobicContact CB-CG2 3.94Å; A184-C231 PolarHBondContact O-SG 3.04Å; A184-C231 VanDerWaalsContact O-SG 3.42Å
185	Y	98.8	Very high	96.3	Very high	11 Å²	11	46.9 Å²	46.9	4%	0.043	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	155.5	170.6	67	-86.6	0	0	0	111.4	F165 A166 Y187 P204 R205 C229 E230	F165-Y185 CarbonylContact C-O 3.56Å; F165-Y185 WeakPolarHBondContact CA-O 3.46Å; F165-Y185 WeakPolarHBondContact CB-O 3.42Å; A166-Y185 HydrophobicContact CB-CD1 4.41Å; A166-Y185 HydrophobicContact CB-CE1 3.64Å; A166-Y185 HydrophobicContact CB-CE2 4.38Å; A166-Y185 PolarHBondContact N-O 3.45Å; A166-Y185 PolarHBondContact O-N 3.04Å; Y185-Y187 HydrophobicContact CD2-CE2 4.38Å; Y185-Y187 HydrophobicContact CE2-CD2 4.31Å; Y185-Y187 AromaticContact CE2-CE2 3.81Å; Y185-Y187 HydrophobicContact CE2-CE2 3.81Å; Y185-P204 HydrophobicContact CD2-CB 4.39Å; Y185-R205 CarbonylContact C-O 3.56Å; Y185-R205 VanDerWaalsContact CA-O 3.23Å; Y185-R205 WeakPolarHBondContact CA-O 3.33Å; Y185-R205 WeakPolarHBondContact CB-O 3.05Å; Y185-C229 WeakPolarHBondContact CE2-SG 3.33Å; Y185-E230 HydrophobicContact CD1-CG 4.4Å; Y185-E230 HydrophobicContact CE1-CB 4.22Å; Y185-E230 HydrophobicContact CE1-CG 3.58Å
186	A	98.6	Very high	96.1	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	142.2	175.3	0	0	0	0	0	111.9	W162 F165 Y188 P204 R205 L207 M223	W162-A186 HydrophobicContact CB-CB 4.38Å; W162-A186 HydrophobicContact CD2-CB 3.48Å; W162-A186 VanDerWaalsContact CD2-CB 3.48Å; W162-A186 HydrophobicContact CE3-CB 3.66Å; W162-A186 HydrophobicContact CG-CB 3.79Å; W162-A186 HydrophobicContact CH2-CB 4.37Å; W162-A186 HydrophobicContact CZ2-CB 4.25Å; W162-A186 HydrophobicContact CZ3-CB 4.09Å; F165-A186 HydrophobicContact CB-CB 3.87Å; A186-Y188 PolarHBondContact O-N 2.97Å; A186-P204 CarbonylContact O-C 3.38Å; A186-P204 WeakPolarHBondContact O-CA 3.36Å; A186-R205 PolarHBondContact N-O 3.21Å; A186-R205 PolarHBondContact O-N 2.96Å; A186-L207 HydrophobicContact CB-CD2 4.16Å; A186-M223 HydrophobicContact CB-CE 3.8Å
187	Y	98.5	Very high	96.2	Very high	31 Å²	31	45.3 Å²	45.3	12%	0.122	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	95.8	168.7	-77.1	-90.7	0	0	0	109.6	E119 I123 W162 A163 T164 Y185 V202 P204	E119-Y187 VanDerWaalsContact CD-OH 3.26Å; E119-Y187 HydrophobicContact CG-CE2 4.07Å; E119-Y187 PolarHBondContact OE1-OH 3.06Å; E119-Y187 WeakPolarHBondContact OE2-CE2 3.47Å; E119-Y187 PolarHBondContact OE2-OH 2.83Å; I123-Y187 HydrophobicContact CD1-CD1 3.59Å; I123-Y187 HydrophobicContact CD1-CD2 4.33Å; I123-Y187 HydrophobicContact CD1-CE1 3.49Å; I123-Y187 VanDerWaalsContact CD1-CE1 3.49Å; I123-Y187 HydrophobicContact CD1-CE2 4.22Å; I123-Y187 HydrophobicContact CD1-CG 4.01Å; I123-Y187 HydrophobicContact CG1-CD1 3.96Å; I123-Y187 HydrophobicContact CG1-CE1 4.37Å; I123-Y187 HydrophobicContact CG1-CG 4.04Å; W162-Y187 CarbonylContact C-O 3.52Å; W162-Y187 WeakPolarHBondContact CA-O 3.4Å; A163-Y187 PolarHBondContact N-O 2.77Å; T164-Y187 HydrophobicContact CG2-CD2 3.59Å; T164-Y187 HydrophobicContact CG2-CE2 4.19Å; T164-Y187 HydrophobicContact CG2-CG 4.31Å; T164-Y187 PolarHBondContact O-N 3.34Å; Y185-Y187 HydrophobicContact CD2-CE2 4.38Å; Y185-Y187 HydrophobicContact CE2-CD2 4.31Å; Y185-Y187 AromaticContact CE2-CE2 3.81Å; Y185-Y187 HydrophobicContact CE2-CE2 3.81Å; Y187-V202 HydrophobicContact CD1-CG1 4.3Å; Y187-P204 HydrophobicContact CD1-CB 4.03Å; Y187-P204 HydrophobicContact CD1-CG 4.44Å; Y187-P204 HydrophobicContact CE1-CB 3.88Å; Y187-P204 HydrophobicContact CE1-CG 4.02Å; Y187-P204 HydrophobicContact CE2-CB 4.46Å; Y187-P204 HydrophobicContact CG-CB 4.39Å
188	Y	97.9	Very high	96.3	Very high	61 Å²	61	44.1 Å²	44.1	24%	0.239	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	133.7	-175.9	-179.2	-111.8	0	0	0	111.8	K161 A186 P190 V202 Y203 M223	K161-Y188 HydrophobicContact CB-CD2 4.23Å; K161-Y188 HydrophobicContact CB-CE2 3.92Å; K161-Y188 HydrophobicContact CD-CE2 4.14Å; A186-Y188 PolarHBondContact O-N 2.97Å; Y188-P190 HydrophobicContact CD1-CB 4.16Å; Y188-P190 HydrophobicContact CE1-CB 3.72Å; Y188-P190 VanDerWaalsContact O-CD 3.23Å; Y188-P190 WeakPolarHBondContact O-CD 3.2Å; Y188-V202 WeakPolarHBondContact O-CA 3.26Å; Y188-Y203 AromaticContact CD1-CE2 3.65Å; Y188-Y203 HydrophobicContact CD1-CE2 3.65Å; Y188-Y203 AromaticContact CD1-CZ 3.85Å; Y188-Y203 HydrophobicContact CG-CE2 4.38Å; Y188-Y203 PolarHBondContact N-O 2.86Å; Y188-Y203 PolarHBondContact O-N 3.37Å; Y188-M223 HydrophobicContact CD2-CE 4.3Å; Y188-M223 HydrophobicContact CD2-SD 4.13Å; Y188-M223 HydrophobicContact CG-SD 4.29Å
189	I	97.9	Very high	96	Very high	6 Å²	6	48.3 Å²	48.3	3%	0.031	26%	0.255	C	S	.	.			trans	-103.1	97.6	175.5	-58.3	163.2	0	0	0	108.1	K161 A163 Y191 R192 P197 V202	K161-I189 PolarHBondContact O-N 3.36Å; A163-I189 HydrophobicContact CB-CD1 3.83Å; A163-I189 HydrophobicContact CB-CG1 3.97Å; I189-Y191 WeakPolarHBondContact CG2-O 3.27Å; I189-R192 HydrophobicContact CG2-CG 3.83Å; I189-P197 HydrophobicContact CD1-CG 4.03Å; I189-P197 HydrophobicContact CG1-CB 4.49Å; I189-P197 HydrophobicContact CG1-CG 4.23Å; I189-P197 HydrophobicContact CG2-CB 3.94Å; I189-P197 HydrophobicContact CG2-CG 4.19Å; I189-V202 HydrophobicContact CG1-CG1 4.39Å; I189-V202 HydrophobicContact CG1-CG2 4.04Å
190	P	95.7	Very high	95.6	Very high	29 Å²	29	53.4 Å²	53.4	19%	0.188	29%	0.294	C	S	.	.			trans	-72.5	-33	178.8	27.7	-34.8	0	0	0	112.7	Y188 T201 Y203	Y188-P190 HydrophobicContact CD1-CB 4.16Å; Y188-P190 HydrophobicContact CE1-CB 3.72Å; Y188-P190 VanDerWaalsContact O-CD 3.23Å; Y188-P190 WeakPolarHBondContact O-CD 3.2Å; P190-T201 VanDerWaalsContact CD-O 3.23Å; P190-T201 WeakPolarHBondContact CD-O 3.35Å; P190-T201 VanDerWaalsContact CG-O 3.23Å; P190-T201 WeakPolarHBondContact CG-O 3.45Å; P190-Y203 HydrophobicContact CG-CE1 3.95Å
191	Y	95.3	Very high	95.5	Very high	147 Å²	147	54.9 Å²	54.9	58%	0.576	30%	0.303	S	S	*	.			trans	-138.1	139.9	-170.6	-50.4	-66.5	0	0	0	111.4	I189 P197 I198 T201	I189-Y191 WeakPolarHBondContact CG2-O 3.27Å; Y191-P197 WeakPolarHBondContact O-CA 3.21Å; Y191-I198 VanDerWaalsContact CB-CD1 3.48Å; Y191-I198 HydrophobicContact CG-CD1 4.32Å; Y191-I198 PolarHBondContact O-N 3.46Å; Y191-I198 VanDerWaalsContact O-N 3.14Å; Y191-T201 HydrophobicContact CD2-CG2 4.17Å
192	R	95.6	Very high	95.4	Very high	105 Å²	105	56.1 Å²	56.1	40%	0.396	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144.3	172.4	-67.4	-176.3	177.7	-98.7	5	110.7	G126 H160 I189 S195 F196	G126-R192 PolarHBondContact O-NH2 2.77Å; H160-R192 PolarHBondContact O-NH2 2.79Å; I189-R192 HydrophobicContact CG2-CG 3.83Å; R192-S195 PolarHBondContact NH1-O 3.17Å; R192-F196 CarbonylContact C-O 3.48Å; R192-F196 WeakPolarHBondContact CA-O 3.29Å
193	C	92.8	Very high	95.2	Very high	81 Å²	81	58.4 Å²	58.4	55%	0.547	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	126.9	167.1	-176.3	0	0	0	0	108.2	S195 F196 I198	C193-S195 PolarHBondContact O-N 2.89Å; C193-S195 VanDerWaalsContact O-N 3.16Å; C193-F196 PolarHBondContact N-O 3.32Å; C193-F196 PolarHBondContact O-N 3.28Å; C193-I198 HydrophobicContact CB-CG1 4.39Å
194	C	89.3	Confident	95.2	Very high	113 Å²	113	59.5 Å²	59.5	76%	0.764	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	43.5	-177	-59.2	0	0	0	0	113.3	F196	C194-F196 WeakPolarHBondContact O-CD2 3.27Å; C194-F196 PolarHBondContact O-N 3.32Å
195	S	88.6	Confident	95.1	Very high	96 Å²	96	61.8 Å²	61.8	67%	0.671	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	-5	-176.6	-53.6	0	0	0	0	116.8	R192 C193	R192-S195 PolarHBondContact NH1-O 3.17Å; C193-S195 PolarHBondContact O-N 2.89Å; C193-S195 VanDerWaalsContact O-N 3.16Å
196	F	93.2	Very high	95.1	Very high	112 Å²	112	61.2 Å²	61.2	49%	0.491	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	145.3	175.3	-67.2	-85.9	0	0	0	111.7	R192 C193 C194	R192-F196 CarbonylContact C-O 3.48Å; R192-F196 WeakPolarHBondContact CA-O 3.29Å; C193-F196 PolarHBondContact N-O 3.32Å; C193-F196 PolarHBondContact O-N 3.28Å; C194-F196 WeakPolarHBondContact O-CD2 3.27Å; C194-F196 PolarHBondContact O-N 3.32Å
197	P	96.1	Very high	95.1	Very high	11 Å²	11	61.4 Å²	61.4	7%	0.071	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	143.2	169.5	-20.7	32.3	0	0	0	111.5	I189 Y191 V202	I189-P197 HydrophobicContact CD1-CG 4.03Å; I189-P197 HydrophobicContact CG1-CB 4.49Å; I189-P197 HydrophobicContact CG1-CG 4.23Å; I189-P197 HydrophobicContact CG2-CB 3.94Å; I189-P197 HydrophobicContact CG2-CG 4.19Å; Y191-P197 WeakPolarHBondContact O-CA 3.21Å; P197-V202 HydrophobicContact CB-CG2 3.58Å; P197-V202 HydrophobicContact CG-CG2 4.31Å
198	I	95.8	Very high	95.1	Very high	68 Å²	68	59.9 Å²	59.9	35%	0.349	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-67.6	130.1	171.2	-60.1	-173.9	0	0	0	108.6	Y191 C193 T201	Y191-I198 VanDerWaalsContact CB-CD1 3.48Å; Y191-I198 HydrophobicContact CG-CD1 4.32Å; Y191-I198 PolarHBondContact O-N 3.46Å; Y191-I198 VanDerWaalsContact O-N 3.14Å; C193-I198 HydrophobicContact CB-CG1 4.39Å; I198-T201 HydrophobicContact CB-CG2 3.78Å; I198-T201 HydrophobicContact CG2-CG2 3.66Å; I198-T201 WeakPolarHBondContact O-CB 3.1Å; I198-T201 PolarHBondContact O-N 3.27Å; I198-T201 PolarHBondContact O-OG1 2.9Å
199	P	90.6	Very high	95.1	Very high	107 Å²	107	57.2 Å²	57.2	70%	0.695	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	142.6	179.4	-28.6	35.3	0	0	0	113	T201	P199-T201 PolarHBondContact O-N 3.5Å
200	C	89.9	Confident	95.2	Very high	137 Å²	137	58.2 Å²	58.2	93%	0.926	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	8.9	179.4	-55.5	0	0	0	0	116.1
201	T	95.3	Very high	95.3	Very high	31 Å²	31	56.9 Å²	56.9	19%	0.19	31%	0.311	C	S	.	.			trans	-99.7	-13.9	176.8	70.3	0	0	0	0	114.1	P190 Y191 I198 P199 Y203	P190-T201 VanDerWaalsContact CD-O 3.23Å; P190-T201 WeakPolarHBondContact CD-O 3.35Å; P190-T201 VanDerWaalsContact CG-O 3.23Å; P190-T201 WeakPolarHBondContact CG-O 3.45Å; Y191-T201 HydrophobicContact CD2-CG2 4.17Å; I198-T201 HydrophobicContact CB-CG2 3.78Å; I198-T201 HydrophobicContact CG2-CG2 3.66Å; I198-T201 WeakPolarHBondContact O-CB 3.1Å; I198-T201 PolarHBondContact O-N 3.27Å; I198-T201 PolarHBondContact O-OG1 2.9Å; P199-T201 PolarHBondContact O-N 3.5Å; T201-Y203 WeakPolarHBondContact O-CD1 3.32Å; T201-Y203 WeakPolarHBondContact O-CE1 3.37Å
202	V	97	Very high	95.4	Very high	26 Å²	26	55.3 Å²	55.3	16%	0.158	31%	0.309	C	S	.	.			trans	-78.2	130	176.2	-175.3	0	0	0	0	109.4	I123 A163 Y187 Y188 I189 P197	I123-V202 HydrophobicContact CG2-CB 4.08Å; I123-V202 HydrophobicContact CG2-CG1 4.03Å; A163-V202 HydrophobicContact CB-CG1 4.11Å; Y187-V202 HydrophobicContact CD1-CG1 4.3Å; Y188-V202 WeakPolarHBondContact O-CA 3.26Å; I189-V202 HydrophobicContact CG1-CG1 4.39Å; I189-V202 HydrophobicContact CG1-CG2 4.04Å; P197-V202 HydrophobicContact CB-CG2 3.58Å; P197-V202 HydrophobicContact CG-CG2 4.31Å
203	Y	95.9	Very high	95.5	Very high	47 Å²	47	52.3 Å²	52.3	18%	0.184	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	147.1	179.9	44.3	-104.1	0	0	0	111.7	Y188 P190 T201 R205	Y188-Y203 AromaticContact CD1-CE2 3.65Å; Y188-Y203 HydrophobicContact CD1-CE2 3.65Å; Y188-Y203 AromaticContact CD1-CZ 3.85Å; Y188-Y203 HydrophobicContact CG-CE2 4.38Å; Y188-Y203 PolarHBondContact N-O 2.86Å; Y188-Y203 PolarHBondContact O-N 3.37Å; P190-Y203 HydrophobicContact CG-CE1 3.95Å; T201-Y203 WeakPolarHBondContact O-CD1 3.32Å; T201-Y203 WeakPolarHBondContact O-CE1 3.37Å; Y203-R205 HydrophobicContact CD2-CG 4.02Å; Y203-R205 HydrophobicContact CE2-CG 4.28Å; Y203-R205 PolarHBondContact OH-NH2 2.8Å
204	P	97.4	Very high	95.7	Very high	25 Å²	25	53 Å²	53	16%	0.162	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	144	177.3	33.6	-35.9	0	0	0	110.6	Y185 A186 Y187 K227 S228 C229	Y185-P204 HydrophobicContact CD2-CB 4.39Å; A186-P204 CarbonylContact O-C 3.38Å; A186-P204 WeakPolarHBondContact O-CA 3.36Å; Y187-P204 HydrophobicContact CD1-CB 4.03Å; Y187-P204 HydrophobicContact CD1-CG 4.44Å; Y187-P204 HydrophobicContact CE1-CB 3.88Å; Y187-P204 HydrophobicContact CE1-CG 4.02Å; Y187-P204 HydrophobicContact CE2-CB 4.46Å; Y187-P204 HydrophobicContact CG-CB 4.39Å; P204-K227 WeakPolarHBondContact O-CA 3.25Å; P204-S228 CarbonylContact C-O 3.57Å; P204-S228 WeakPolarHBondContact CB-O 3.47Å; P204-S228 PolarHBondContact O-N 2.74Å; P204-C229 HydrophobicContact CB-CB 4.07Å; P204-C229 HydrophobicContact CG-CB 4.07Å
205	R	97.7	Very high	96.2	Very high	53 Å²	53	47.8 Å²	47.8	20%	0.2	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	128	169.2	-66.1	179.6	167.7	-154.4	17	110.7	Y185 A186 Y203 M223 L224 S228	Y185-R205 CarbonylContact C-O 3.56Å; Y185-R205 VanDerWaalsContact CA-O 3.23Å; Y185-R205 WeakPolarHBondContact CA-O 3.33Å; Y185-R205 WeakPolarHBondContact CB-O 3.05Å; A186-R205 PolarHBondContact N-O 3.21Å; A186-R205 PolarHBondContact O-N 2.96Å; Y203-R205 HydrophobicContact CD2-CG 4.02Å; Y203-R205 HydrophobicContact CE2-CG 4.28Å; Y203-R205 PolarHBondContact OH-NH2 2.8Å; R205-M223 HydrophobicContact CB-CB 3.84Å; R205-M223 HydrophobicContact CB-CG 4.08Å; R205-M223 HydrophobicContact CB-SD 3.96Å; R205-L224 WeakPolarHBondContact CD-O 3.08Å; R205-L224 PolarHBondContact NE-O 3.13Å; R205-L224 PolarHBondContact NH1-O 2.84Å; R205-L224 VanDerWaalsContact NH1-O 3.13Å; R205-S228 CarbonylContact C-O 3.52Å; R205-S228 VanDerWaalsContact C-O 3.27Å; R205-S228 WeakPolarHBondContact CA-O 3.23Å; R205-S228 PolarHBondContact N-O 2.85Å
206	A	98.3	Very high	96.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	150.7	171.3	0	0	0	0	0	111.1	A184 M223 L224 S228 C231 A249	A184-A206 CarbonylContact O-C 3.05Å; A184-A206 VanDerWaalsContact O-CA 3.27Å; A184-A206 WeakPolarHBondContact O-CA 3.48Å; A206-M223 CarbonylContact O-C 3.54Å; A206-M223 WeakPolarHBondContact O-CA 3.21Å; A206-L224 HydrophobicContact CB-CD1 4.11Å; A206-L224 HydrophobicContact CB-CD2 4.32Å; A206-L224 WeakPolarHBondContact O-CD1 3.35Å; A206-L224 PolarHBondContact O-N 2.88Å; A206-S228 PolarHBondContact N-O 2.87Å; A206-S228 PolarHBondContact N-OG 3.33Å; A206-C231 HydrophobicContact CB-CB 4.08Å; A206-A249 HydrophobicContact CB-CB 4.16Å
207	L	98.6	Very high	96.8	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	170.5	176.8	63.2	103.2	0	0	0	108.8	W162 A184 A186 V209 I220 M223 M233	W162-L207 HydrophobicContact CH2-CD2 4.02Å; W162-L207 HydrophobicContact CZ2-CD2 4.1Å; A184-L207 CarbonylContact C-O 3.56Å; A184-L207 HydrophobicContact CB-CD1 3.96Å; A184-L207 HydrophobicContact CB-CG 4.19Å; A184-L207 PolarHBondContact N-O 2.91Å; A184-L207 PolarHBondContact O-N 3.49Å; A186-L207 HydrophobicContact CB-CD2 4.16Å; L207-V209 HydrophobicContact CD1-CG2 4.27Å; L207-I220 HydrophobicContact CD1-CB 4.31Å; L207-I220 HydrophobicContact CD1-CG2 4.47Å; L207-M223 HydrophobicContact CB-CG 4.38Å; L207-M223 HydrophobicContact CD2-CE 4.11Å; L207-M223 HydrophobicContact CD2-CG 3.85Å; L207-M233 VanDerWaalsContact O-CE 3.3Å; L207-M233 WeakPolarHBondContact O-CE 3.39Å
208	S	98.4	Very high	96.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	147.4	171.9	65.1	0	0	0	0	110.1	G221 G265	S208-G221 PolarHBondContact O-N 2.89Å; S208-G265 PolarHBondContact OG-O 2.83Å
209	V	98.8	Very high	97	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.024	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.1	156.7	-174.4	0	0	0	0	106.2	L132 V154 I182 A184 L207 W218 H219 I220	L132-V209 HydrophobicContact CD2-CG1 4.5Å; V154-V209 HydrophobicContact CG1-CG1 4.02Å; I182-V209 HydrophobicContact CB-CB 4.19Å; I182-V209 PolarHBondContact N-O 3.5Å; I182-V209 PolarHBondContact O-N 2.59Å; A184-V209 HydrophobicContact CB-CG2 3.94Å; L207-V209 HydrophobicContact CD1-CG2 4.27Å; V209-W218 HydrophobicContact CG1-CB 4.38Å; V209-W218 HydrophobicContact CG1-CE3 4.03Å; V209-H219 CarbonylContact C-O 3.58Å; V209-H219 VanDerWaalsContact CA-O 3.25Å; V209-H219 WeakPolarHBondContact CA-O 3.28Å; V209-H219 WeakPolarHBondContact CG1-O 3.34Å; V209-I220 HydrophobicContact CG2-CG2 4.29Å
210	Y	98.8	Very high	97.4	Very high	28 Å²	28	46 Å²	46	11%	0.11	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	156.5	-172.4	66	-88	0	0	0	113.4	R179 L180 E212 W218 H219 V266	R179-Y210 HydrophobicContact CG-CD2 4.47Å; L180-Y210 CarbonylContact O-C 3.54Å; L180-Y210 WeakPolarHBondContact O-CA 3.49Å; L180-Y210 VanDerWaalsContact O-CB 3.26Å; L180-Y210 WeakPolarHBondContact O-CB 3.17Å; Y210-E212 HydrophobicContact CD2-CG 4.22Å; Y210-E212 HydrophobicContact CE2-CG 4.4Å; Y210-W218 CarbonylContact O-C 3.59Å; Y210-W218 WeakPolarHBondContact O-CA 3.4Å; Y210-H219 HydrophobicContact CD1-CB 4.29Å; Y210-H219 HydrophobicContact CD2-CB 4.25Å; Y210-H219 HydrophobicContact CE1-CB 3.78Å; Y210-H219 HydrophobicContact CE2-CB 3.75Å; Y210-H219 AromaticContact CE2-CD2 3.99Å; Y210-H219 HydrophobicContact CG-CB 4.5Å; Y210-H219 VanDerWaalsContact CZ-CB 3.47Å; Y210-H219 PolarHBondContact N-O 2.85Å; Y210-H219 PolarHBondContact O-N 2.76Å; Y210-V266 HydrophobicContact CE1-CG2 4.3Å; Y210-V266 HydrophobicContact CE2-CG2 4.43Å
211	S	98.7	Very high	97.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137.8	175.9	174.4	0	0	0	0	110.4	R179 L180 D213 G215 T217	R179-S211 WeakPolarHBondContact CA-O 3.44Å; R179-S211 VanDerWaalsContact CG-O 3.27Å; R179-S211 WeakPolarHBondContact CG-O 3.23Å; L180-S211 PolarHBondContact N-O 2.83Å; L180-S211 PolarHBondContact O-N 3.12Å; S211-D213 PolarHBondContact OG-OD1 3.39Å; S211-G215 WeakPolarHBondContact OG-CA 3.34Å; S211-G215 PolarHBondContact OG-N 3.07Å; S211-T217 WeakPolarHBondContact CA-O 3.25Å; S211-T217 WeakPolarHBondContact CB-O 3.36Å; S211-T217 PolarHBondContact OG-O 2.77Å
212	E	97.3	Very high	97.9	Very high	115 Å²	115	45.1 Å²	45.1	54%	0.537	22%	0.217	S	C	.	.	S	Bend	trans	-110	-2.3	-179.1	-58.4	-171.6	95.3	0	0	113	R179 Y210	R179-E212 HydrophobicContact CG-CG 4.21Å; R179-E212 IonicContact CZ-OE1 3.93Å; R179-E212 VanDerWaalsContact CZ-OE1 3.32Å; R179-E212 IonicContact NE-OE1 3.32Å; R179-E212 PolarHBondContact NE-OE1 3.44Å; R179-E212 IonicContact NH2-OE1 3.04Å; R179-E212 PolarHBondContact NH2-OE1 2.89Å; Y210-E212 HydrophobicContact CD2-CG 4.22Å; Y210-E212 HydrophobicContact CE2-CG 4.4Å
213	D	97.8	Very high	97.9	Very high	41 Å²	41	46 Å²	46	22%	0.219	22%	0.219	C	C	.	.	S	Bend	trans	-126.9	40.3	-170.3	62.8	1.2	0	0	0	111.8	S211 G215 Q216 T217	S211-D213 PolarHBondContact OG-OD1 3.39Å; D213-G215 VanDerWaalsContact C-N 3.29Å; D213-G215 PolarHBondContact O-N 2.87Å; D213-Q216 HydrophobicContact CB-CB 4.49Å; D213-Q216 WeakPolarHBondContact O-CG 3.29Å; D213-Q216 PolarHBondContact O-N 2.83Å; D213-Q216 PolarHBondContact O-NE2 2.77Å; D213-Q216 PolarHBondContact OD1-N 3.02Å; D213-T217 VanDerWaalsContact CG-OG1 3.31Å; D213-T217 PolarHBondContact OD1-N 2.93Å; D213-T217 PolarHBondContact OD1-OG1 3.37Å; D213-T217 WeakPolarHBondContact OD2-CB 3.49Å; D213-T217 WeakPolarHBondContact OD2-CG2 3.28Å; D213-T217 PolarHBondContact OD2-N 3.35Å; D213-T217 VanDerWaalsContact OD2-N 3.12Å; D213-T217 PolarHBondContact OD2-OG1 2.8Å
214	F	97.6	Very high	98	Very high	96 Å²	96	43.8 Å²	43.8	42%	0.421	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	30.4	178.8	-44	-74.1	0	0	0	113.9	E100 N102 T103	E100-F214 HydrophobicContact CG-CB 4.26Å; N102-F214 HydrophobicContact CB-CD1 4.02Å; N102-F214 HydrophobicContact CB-CE1 3.94Å; T103-F214 HydrophobicContact CG2-CB 3.93Å; T103-F214 HydrophobicContact CG2-CG 4.2Å
215	G	97.8	Very high	97.8	Very high	4 Å²	4	52.8 Å²	52.8	4%	0.041	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	15.4	177.7	0	0	0	0	0	114.6	S211 D213 W218	S211-G215 WeakPolarHBondContact OG-CA 3.34Å; S211-G215 PolarHBondContact OG-N 3.07Å; D213-G215 VanDerWaalsContact C-N 3.29Å; D213-G215 PolarHBondContact O-N 2.87Å; G215-W218 PolarHBondContact O-NE1 2.84Å
216	Q	97.4	Very high	97.6	Very high	150 Å²	150	55 Å²	55	70%	0.701	25%	0.253	S	S	*	.	S	Bend	trans	-78.1	-43	177.1	-69.3	175.2	85.3	0	0	111.7	D213	D213-Q216 HydrophobicContact CB-CB 4.49Å; D213-Q216 WeakPolarHBondContact O-CG 3.29Å; D213-Q216 PolarHBondContact O-N 2.83Å; D213-Q216 PolarHBondContact O-NE2 2.77Å; D213-Q216 PolarHBondContact OD1-N 3.02Å
217	T	98	Very high	97.5	Very high	69 Å²	69	61.1 Å²	61.1	42%	0.423	28%	0.279	S	S	.	.	S	Bend	trans	-125.5	153.2	173.7	68.2	0	0	0	0	110.9	S211 D213	S211-T217 WeakPolarHBondContact CA-O 3.25Å; S211-T217 WeakPolarHBondContact CB-O 3.36Å; S211-T217 PolarHBondContact OG-O 2.77Å; D213-T217 VanDerWaalsContact CG-OG1 3.31Å; D213-T217 PolarHBondContact OD1-N 2.93Å; D213-T217 PolarHBondContact OD1-OG1 3.37Å; D213-T217 WeakPolarHBondContact OD2-CB 3.49Å; D213-T217 WeakPolarHBondContact OD2-CG2 3.28Å; D213-T217 PolarHBondContact OD2-N 3.35Å; D213-T217 VanDerWaalsContact OD2-N 3.12Å; D213-T217 PolarHBondContact OD2-OG1 2.8Å
218	W	98.6	Very high	97.4	Very high	10 Å²	10	61 Å²	61	4%	0.038	28%	0.279	C	S	.	.			trans	-134.3	145.8	-172.9	-66.8	87.7	0	0	0	110.5	F109 L150 V154 L180 I182 V209 Y210 G215	F109-W218 HydrophobicContact CE1-CD2 4.39Å; F109-W218 HydrophobicContact CE1-CE3 4.46Å; F109-W218 AromaticContact CE2-CH2 3.5Å; F109-W218 HydrophobicContact CE2-CH2 3.5Å; F109-W218 VanDerWaalsContact CE2-CH2 3.5Å; F109-W218 AromaticContact CE2-CZ2 3.61Å; F109-W218 HydrophobicContact CE2-CZ2 3.61Å; F109-W218 HydrophobicContact CE2-CZ3 4.11Å; F109-W218 AromaticContact CZ-CD2 3.81Å; F109-W218 HydrophobicContact CZ-CD2 3.81Å; F109-W218 AromaticContact CZ-CE2 3.5Å; F109-W218 VanDerWaalsContact CZ-CE2 3.5Å; F109-W218 AromaticContact CZ-CE3 3.94Å; F109-W218 HydrophobicContact CZ-CE3 3.94Å; F109-W218 AromaticContact CZ-CH2 3.44Å; F109-W218 HydrophobicContact CZ-CH2 3.44Å; F109-W218 VanDerWaalsContact CZ-CH2 3.44Å; F109-W218 AromaticContact CZ-CZ2 3.32Å; F109-W218 HydrophobicContact CZ-CZ2 3.32Å; F109-W218 AromaticContact CZ-CZ3 3.77Å; F109-W218 HydrophobicContact CZ-CZ3 3.77Å; L150-W218 HydrophobicContact CD1-CB 4.33Å; L150-W218 HydrophobicContact CD1-CG 4.02Å; V154-W218 HydrophobicContact CG1-CB 4.26Å; V154-W218 HydrophobicContact CG2-CB 3.62Å; L180-W218 HydrophobicContact CB-CH2 3.83Å; L180-W218 HydrophobicContact CB-CZ3 4.06Å; L180-W218 HydrophobicContact CD1-CH2 3.72Å; L180-W218 HydrophobicContact CD1-CZ2 4.03Å; L180-W218 HydrophobicContact CG-CH2 4.45Å; I182-W218 HydrophobicContact CD1-CH2 4.39Å; I182-W218 HydrophobicContact CD1-CZ3 4.38Å; I182-W218 HydrophobicContact CG1-CH2 4.16Å; I182-W218 HydrophobicContact CG1-CZ3 3.71Å; V209-W218 HydrophobicContact CG1-CB 4.38Å; V209-W218 HydrophobicContact CG1-CE3 4.03Å; Y210-W218 CarbonylContact O-C 3.59Å; Y210-W218 WeakPolarHBondContact O-CA 3.4Å; G215-W218 PolarHBondContact O-NE1 2.84Å
219	H	98.4	Very high	97.3	Very high	78 Å²	78	61.6 Å²	61.6	36%	0.361	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.3	-176.8	-56.6	-72.7	0	0	0	110.6	V209 Y210	V209-H219 CarbonylContact C-O 3.58Å; V209-H219 VanDerWaalsContact CA-O 3.25Å; V209-H219 WeakPolarHBondContact CA-O 3.28Å; V209-H219 WeakPolarHBondContact CG1-O 3.34Å; Y210-H219 HydrophobicContact CD1-CB 4.29Å; Y210-H219 HydrophobicContact CD2-CB 4.25Å; Y210-H219 HydrophobicContact CE1-CB 3.78Å; Y210-H219 HydrophobicContact CE2-CB 3.75Å; Y210-H219 AromaticContact CE2-CD2 3.99Å; Y210-H219 HydrophobicContact CG-CB 4.5Å; Y210-H219 VanDerWaalsContact CZ-CB 3.47Å; Y210-H219 PolarHBondContact N-O 2.85Å; Y210-H219 PolarHBondContact O-N 2.76Å
220	I	98.2	Very high	97.3	Very high	50 Å²	50	61.8 Å²	61.8	26%	0.256	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.9	172.2	61.5	176.7	0	0	0	111.3	V154 A158 W162 L207 V209	V154-I220 HydrophobicContact CG1-CG2 3.65Å; A158-I220 HydrophobicContact CB-CD1 4.14Å; W162-I220 HydrophobicContact CH2-CD1 4.07Å; W162-I220 HydrophobicContact CZ2-CD1 4.04Å; L207-I220 HydrophobicContact CD1-CB 4.31Å; L207-I220 HydrophobicContact CD1-CG2 4.47Å; V209-I220 HydrophobicContact CG2-CG2 4.29Å
221	G	97.8	Very high	97.3	Very high	9 Å²	9	60.5 Å²	60.5	9%	0.093	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-76.6	171.5	170	0	0	0	0	0	112.5	S208	S208-G221 PolarHBondContact O-N 2.89Å
222	K	97.7	Very high	97.3	Very high	140 Å²	140	60.5 Å²	60.5	61%	0.609	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-71.6	138.8	173.5	-65.7	-174.8	-175.4	169.1	0	110.4	V266	K222-V266 PolarHBondContact N-O 2.96Å
223	M	97.4	Very high	97.3	Very high	43 Å²	43	55.1 Å²	55.1	21%	0.212	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-61.3	143.4	172.2	-69.2	-178.4	-171	0	0	112.6	W162 A186 Y188 R205 A206 L207	W162-M223 HydrophobicContact CD2-CE 4.29Å; W162-M223 HydrophobicContact CG-CE 4.47Å; W162-M223 HydrophobicContact CZ2-CE 3.59Å; A186-M223 HydrophobicContact CB-CE 3.8Å; Y188-M223 HydrophobicContact CD2-CE 4.3Å; Y188-M223 HydrophobicContact CD2-SD 4.13Å; Y188-M223 HydrophobicContact CG-SD 4.29Å; R205-M223 HydrophobicContact CB-CB 3.84Å; R205-M223 HydrophobicContact CB-CG 4.08Å; R205-M223 HydrophobicContact CB-SD 3.96Å; A206-M223 CarbonylContact O-C 3.54Å; A206-M223 WeakPolarHBondContact O-CA 3.21Å; L207-M223 HydrophobicContact CB-CG 4.38Å; L207-M223 HydrophobicContact CD2-CE 4.11Å; L207-M223 HydrophobicContact CD2-CG 3.85Å
224	L	96.9	Very high	97.4	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-56.1	145.8	168.8	-90.2	69.1	0	0	0	111	R205 A206 K226 A259 F268 P271	R205-L224 WeakPolarHBondContact CD-O 3.08Å; R205-L224 PolarHBondContact NE-O 3.13Å; R205-L224 PolarHBondContact NH1-O 2.84Å; R205-L224 VanDerWaalsContact NH1-O 3.13Å; A206-L224 HydrophobicContact CB-CD1 4.11Å; A206-L224 HydrophobicContact CB-CD2 4.32Å; A206-L224 WeakPolarHBondContact O-CD1 3.35Å; A206-L224 PolarHBondContact O-N 2.88Å; L224-K226 VanDerWaalsContact C-N 3.32Å; L224-A259 HydrophobicContact CD2-CB 4.03Å; L224-A259 HydrophobicContact CG-CB 4.44Å; L224-F268 HydrophobicContact CD1-CB 3.89Å; L224-F268 HydrophobicContact CD1-CD2 3.5Å; L224-F268 VanDerWaalsContact CD1-CD2 3.5Å; L224-F268 HydrophobicContact CD1-CE2 4.22Å; L224-F268 HydrophobicContact CD1-CG 3.78Å; L224-F268 HydrophobicContact CG-CB 4.22Å; L224-P271 HydrophobicContact CD2-CB 4.12Å; L224-P271 HydrophobicContact CG-CB 4.43Å
225	R	93.9	Very high	97.4	Very high	215 Å²	215	49.9 Å²	49.9	81%	0.811	23%	0.229	S	C	*	.	S	Bend	trans	-75.8	-20	178.5	-71.7	-177.8	167.1	-174	-2.8	113.5	P271	R225-P271 HydrophobicContact CB-CG 4.29Å
226	K	93.9	Very high	97.3	Very high	98 Å²	98	49.7 Å²	49.7	43%	0.426	23%	0.227	S	C	.	.	S	Bend	trans	-100.6	154.7	176.6	-75.3	-172.6	-174.5	-82.8	0	111.4	L224 S228 P271 M273	L224-K226 VanDerWaalsContact C-N 3.32Å; K226-S228 PolarHBondContact O-N 2.91Å; K226-S228 PolarHBondContact O-OG 2.79Å; K226-P271 HydrophobicContact CB-CB 4.24Å; K226-P271 HydrophobicContact CB-CG 4.14Å; K226-P271 HydrophobicContact CD-CB 4.28Å; K226-P271 HydrophobicContact CD-CG 4.37Å; K226-P271 WeakPolarHBondContact CD-O 2.98Å; K226-P271 WeakPolarHBondContact CE-O 3.23Å; K226-P271 HydrophobicContact CG-CB 4.32Å; K226-P271 HydrophobicContact CG-CG 4Å; K226-M273 HydrophobicContact CD-CE 4.01Å
227	K	94.9	Very high	97.2	Very high	129 Å²	129	43 Å²	43	56%	0.561	20%	0.196	S	C	*	.			trans	-57.3	125.3	172.8	-64.4	-174.4	-179.9	179.6	0	109.1	P204 N251	P204-K227 WeakPolarHBondContact O-CA 3.25Å; K227-N251 PolarHBondContact O-OD1 2.76Å
228	S	96.6	Very high	97	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.007	18%	0.177	C	C	.	.			trans	-158.9	132	-173.3	39	0	0	0	0	108.2	P204 R205 A206 K226	P204-S228 CarbonylContact C-O 3.57Å; P204-S228 WeakPolarHBondContact CB-O 3.47Å; P204-S228 PolarHBondContact O-N 2.74Å; R205-S228 CarbonylContact C-O 3.52Å; R205-S228 VanDerWaalsContact C-O 3.27Å; R205-S228 WeakPolarHBondContact CA-O 3.23Å; R205-S228 PolarHBondContact N-O 2.85Å; A206-S228 PolarHBondContact N-O 2.87Å; A206-S228 PolarHBondContact N-OG 3.33Å; K226-S228 PolarHBondContact O-N 2.91Å; K226-S228 PolarHBondContact O-OG 2.79Å
229	C	97.5	Very high	96.5	Very high	12 Å²	12	44.4 Å²	44.4	8%	0.081	20%	0.199	C	C	.	.			trans	-111.3	-137.7	-177.9	-160.8	0	0	0	0	109.6	Y185 P204 C231 R250	Y185-C229 WeakPolarHBondContact CE2-SG 3.33Å; P204-C229 HydrophobicContact CB-CB 4.07Å; P204-C229 HydrophobicContact CG-CB 4.07Å; C229-C231 PolarHBondContact O-N 3.18Å; C229-R250 HydrophobicContact CB-CB 4.24Å; C229-R250 HydrophobicContact CB-CG 4.42Å; C229-R250 PolarHBondContact N-O 2.88Å
230	E	98.4	Very high	96.1	Very high	9 Å²	9	46.3 Å²	46.3	4%	0.042	21%	0.207	C	C	.	.	S	Bend	trans	-37.7	127.8	171	-64.5	166.4	156.6	0	0	111.2	Y185 R250 Q285 Y361	Y185-E230 HydrophobicContact CD1-CG 4.4Å; Y185-E230 HydrophobicContact CE1-CB 4.22Å; Y185-E230 HydrophobicContact CE1-CG 3.58Å; E230-R250 HydrophobicContact CB-CB 4.25Å; E230-R250 VanDerWaalsContact O-CB 3.28Å; E230-R250 WeakPolarHBondContact O-CB 3.33Å; E230-R250 PolarHBondContact O-N 2.92Å; E230-R250 IonicContact OE1-NH1 3.05Å; E230-R250 WeakPolarHBondContact OE2-CD 3.26Å; E230-R250 IonicContact OE2-CZ 3.62Å; E230-R250 IonicContact OE2-NE 3Å; E230-R250 IonicContact OE2-NH1 3.29Å; E230-R250 PolarHBondContact OE2-NH1 2.95Å; E230-Q285 HydrophobicContact CB-CB 4.38Å; E230-Y361 VanDerWaalsContact OE1-CE2 3.3Å; E230-Y361 WeakPolarHBondContact OE1-CE2 3.48Å; E230-Y361 PolarHBondContact OE1-OH 3Å; E230-Y361 PolarHBondContact OE2-OH 2.88Å
231	C	98.6	Very high	95.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	159.4	-174.8	63.8	0	0	0	0	110.3	P183 A184 A206 C229 N248 A249	P183-C231 VanDerWaalsContact CB-O 3.23Å; P183-C231 WeakPolarHBondContact CB-O 3.38Å; A184-C231 PolarHBondContact O-SG 3.04Å; A184-C231 VanDerWaalsContact O-SG 3.42Å; A206-C231 HydrophobicContact CB-CB 4.08Å; C229-C231 PolarHBondContact O-N 3.18Å; C231-N248 VanDerWaalsContact CA-O 3.24Å; C231-N248 WeakPolarHBondContact CA-O 3.27Å; C231-N248 WeakPolarHBondContact CB-O 3.23Å; C231-A249 HydrophobicContact CB-CB 3.61Å
232	E	98.5	Very high	95.6	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	162.9	164.8	-77	-175.7	-150.7	0	0	109.5	G170 H171 N248 Q285 S287 I288	G170-E232 WeakPolarHBondContact CA-OE1 3.18Å; H171-E232 IonicContact CE1-OE2 3.14Å; H171-E232 PolarHBondContact CE1-OE2 3.39Å; H171-E232 IonicContact ND1-OE2 3.8Å; E232-N248 PolarHBondContact N-O 3.42Å; E232-N248 VanDerWaalsContact N-O 3.08Å; E232-N248 PolarHBondContact O-N 2.79Å; E232-Q285 PolarHBondContact OE1-NE2 3.31Å; E232-S287 VanDerWaalsContact CD-CA 3.44Å; E232-S287 WeakPolarHBondContact OE1-CA 3.43Å; E232-S287 WeakPolarHBondContact OE1-CB 3.04Å; E232-S287 PolarHBondContact OE1-OG 3.17Å; E232-S287 WeakPolarHBondContact OE2-CA 3.41Å; E232-S287 WeakPolarHBondContact OE2-CB 3.3Å; E232-S287 PolarHBondContact OE2-OG 2.94Å; E232-I288 HydrophobicContact CB-CG2 3.56Å; E232-I288 PolarHBondContact OE2-N 3.2Å
233	M	98.5	Very high	95.5	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141.5	-173.5	-61.8	176	-175	0	0	111.1	I181 P183 L207 L245 Y246 C247 F268	I181-M233 HydrophobicContact CG2-CB 4.38Å; I181-M233 HydrophobicContact CG2-SD 3.57Å; I181-M233 VanDerWaalsContact CG2-SD 3.57Å; P183-M233 HydrophobicContact CB-CE 4.28Å; P183-M233 HydrophobicContact CB-CG 4.17Å; P183-M233 HydrophobicContact CB-SD 4.36Å; L207-M233 VanDerWaalsContact O-CE 3.3Å; L207-M233 WeakPolarHBondContact O-CE 3.39Å; M233-L245 HydrophobicContact CB-CD1 3.93Å; M233-L245 HydrophobicContact CB-CG 4.37Å; M233-L245 HydrophobicContact SD-CD2 3.94Å; M233-Y246 CarbonylContact C-O 3.5Å; M233-Y246 WeakPolarHBondContact CA-O 3.41Å; M233-Y246 WeakPolarHBondContact CB-O 3.26Å; M233-C247 HydrophobicContact CE-CB 4.3Å; M233-C247 HydrophobicContact CG-CB 4.06Å; M233-F268 HydrophobicContact CE-CE2 3.92Å; M233-F268 HydrophobicContact CE-CZ 3.66Å; M233-F268 HydrophobicContact SD-CE2 4.48Å; M233-F268 HydrophobicContact SD-CZ 3.77Å
234	A	98.1	Very high	95.4	Very high	3 Å²	3	43.7 Å²	43.7	3%	0.025	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145.4	177.6	0	0	0	0	0	110.1	Y246 I288 L320	A234-Y246 PolarHBondContact N-O 2.94Å; A234-Y246 WeakPolarHBondContact O-CB 3.34Å; A234-Y246 PolarHBondContact O-N 2.95Å; A234-I288 HydrophobicContact CB-CG1 4.12Å; A234-I288 HydrophobicContact CB-CG2 4.22Å; A234-L320 HydrophobicContact CB-CD2 3.79Å
235	E	97.6	Very high	95.4	Very high	23 Å²	23	43.7 Å²	43.7	11%	0.107	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	140.8	170.7	-167.3	171.8	-146.3	0	0	109.9	L175 E176 I237 S243 T318	L175-E235 VanDerWaalsContact CA-OE2 3.26Å; L175-E235 WeakPolarHBondContact CA-OE2 3.26Å; L175-E235 WeakPolarHBondContact CB-OE1 3.35Å; L175-E235 HydrophobicContact CD2-CB 3.74Å; L175-E235 HydrophobicContact CD2-CG 3.98Å; E176-E235 VanDerWaalsContact N-CD 3.33Å; E176-E235 PolarHBondContact N-OE1 2.9Å; E176-E235 PolarHBondContact N-OE2 3.47Å; E235-I237 HydrophobicContact CG-CD1 3.85Å; E235-S243 WeakPolarHBondContact OE1-CB 3.39Å; E235-S243 PolarHBondContact OE1-OG 3.05Å; E235-T318 WeakPolarHBondContact O-CG2 3.28Å
236	I	96.6	Very high	95.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.5	168.4	-59.6	163.9	0	0	0	106.7	H244 Y246 L260 T316 L320 P342 L343	I236-H244 HydrophobicContact CB-CB 4.24Å; I236-H244 PolarHBondContact N-O 2.9Å; I236-H244 PolarHBondContact O-N 2.84Å; I236-Y246 HydrophobicContact CD1-CD2 4.27Å; I236-Y246 HydrophobicContact CD1-CG 4.15Å; I236-L260 HydrophobicContact CD1-CD2 3.86Å; I236-T316 HydrophobicContact CG2-CG2 3.82Å; I236-L320 HydrophobicContact CD1-CD1 4.14Å; I236-L320 HydrophobicContact CG1-CD1 4.32Å; I236-L320 HydrophobicContact CG1-CD2 4.08Å; I236-L320 HydrophobicContact CG1-CG 4.35Å; I236-P342 HydrophobicContact CD1-CB 3.67Å; I236-P342 HydrophobicContact CD1-CG 3.93Å; I236-P342 HydrophobicContact CG1-CB 4.18Å; I236-P342 HydrophobicContact CG1-CG 4.02Å; I236-P342 HydrophobicContact CG2-CG 3.79Å; I236-L343 HydrophobicContact CD1-CD2 4.23Å; I236-L343 HydrophobicContact CG2-CD2 4.14Å; I236-L343 HydrophobicContact CG2-CG 4.23Å
237	I	95.5	Very high	95.8	Very high	9 Å²	9	29 Å²	29	5%	0.046	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	121.9	168.4	-53.7	-54.8	0	0	0	108.3	E176 E235 R242 T316 Q317 T318	E176-I237 HydrophobicContact CG-CD1 4.05Å; E176-I237 HydrophobicContact CG-CG1 4.41Å; E235-I237 HydrophobicContact CG-CD1 3.85Å; I237-R242 WeakPolarHBondContact CA-O 3.11Å; I237-T316 CarbonylContact O-C 3.57Å; I237-T316 WeakPolarHBondContact O-CA 3.41Å; I237-T316 WeakPolarHBondContact O-CB 3.37Å; I237-Q317 HydrophobicContact CB-CB 4.3Å; I237-Q317 HydrophobicContact CG2-CB 4.26Å; I237-Q317 PolarHBondContact O-N 3.16Å; I237-T318 PolarHBondContact N-OG1 2.81Å; I237-T318 PolarHBondContact O-N 3.13Å
238	D	92.6	Very high	95.9	Very high	3 Å²	3	23 Å²	23	2%	0.016	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-77	171.2	175.7	76.5	14.9	0	0	0	112.1	E240 G241 R242 H244 Q317 L343	D238-E240 PolarHBondContact O-N 2.84Å; D238-E240 VanDerWaalsContact O-N 3.13Å; D238-E240 WeakPolarHBondContact OD1-CA 3.19Å; D238-E240 WeakPolarHBondContact OD1-CB 3.46Å; D238-E240 PolarHBondContact OD1-N 2.8Å; D238-G241 PolarHBondContact O-N 2.89Å; D238-G241 PolarHBondContact OD1-N 2.92Å; D238-G241 VanDerWaalsContact OD1-N 3.07Å; D238-R242 PolarHBondContact N-O 2.9Å; D238-R242 PolarHBondContact OD1-N 2.86Å; D238-R242 IonicContact OD1-NE 2.85Å; D238-R242 WeakPolarHBondContact OD2-CB 3.49Å; D238-R242 IonicContact OD2-CZ 2.77Å; D238-R242 IonicContact OD2-NE 3.57Å; D238-R242 PolarHBondContact OD2-NE 2.69Å; D238-R242 IonicContact OD2-NH2 3.41Å; D238-R242 PolarHBondContact OD2-NH2 2.68Å; D238-H244 IonicContact OD2-CD2 2.68Å; D238-H244 IonicContact OD2-NE2 3.73Å; D238-H244 PolarHBondContact OD2-NE2 2.75Å; D238-Q317 PolarHBondContact O-NE2 3.39Å; D238-L343 HydrophobicContact CB-CD1 3.78Å
239	H	89.3	Confident	96	Very high	107 Å²	107	22.9 Å²	22.9	50%	0.495	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.9	-179.9	74	-79.3	0	0	0	114	G241 D315	H239-G241 VanDerWaalsContact C-N 3.33Å; H239-D315 PolarHBondContact N-O 2.96Å; H239-D315 PolarHBondContact ND1-O 3.25Å
240	E	90.7	Very high	96	Very high	117 Å²	117	24.5 Å²	24.5	55%	0.547	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	1.2	175.5	-59.8	-178.2	-126.4	0	0	112.3	D238 R242	D238-E240 PolarHBondContact O-N 2.84Å; D238-E240 VanDerWaalsContact O-N 3.13Å; D238-E240 WeakPolarHBondContact OD1-CA 3.19Å; D238-E240 WeakPolarHBondContact OD1-CB 3.46Å; D238-E240 PolarHBondContact OD1-N 2.8Å; E240-R242 VanDerWaalsContact CD-CZ 3.45Å; E240-R242 IonicContact OE1-CZ 3.84Å; E240-R242 IonicContact OE1-NH1 3.5Å; E240-R242 PolarHBondContact OE1-NH1 2.71Å; E240-R242 IonicContact OE1-NH2 3.16Å; E240-R242 PolarHBondContact OE1-NH2 2.81Å; E240-R242 IonicContact OE2-CZ 3.41Å; E240-R242 IonicContact OE2-NH1 3.22Å; E240-R242 PolarHBondContact OE2-NH1 3.02Å; E240-R242 IonicContact OE2-NH2 3.23Å
241	G	90.9	Very high	95.8	Very high	41 Å²	41	25 Å²	25	42%	0.423	13%	0.125	S	C	.	.	S	Bend	trans	80.6	13.4	-179.2	0	0	0	0	0	113.9	D238 H239	D238-G241 PolarHBondContact O-N 2.89Å; D238-G241 PolarHBondContact OD1-N 2.92Å; D238-G241 VanDerWaalsContact OD1-N 3.07Å; H239-G241 VanDerWaalsContact C-N 3.33Å
242	R	93.3	Very high	95.1	Very high	113 Å²	113	28.6 Å²	28.6	43%	0.426	16%	0.155	S	C	.	.			trans	-81.1	136.4	174.4	-59.3	179.8	-70.3	-106.1	-9.5	110.3	I237 D238 E240 H244	I237-R242 WeakPolarHBondContact CA-O 3.11Å; D238-R242 PolarHBondContact N-O 2.9Å; D238-R242 PolarHBondContact OD1-N 2.86Å; D238-R242 IonicContact OD1-NE 2.85Å; D238-R242 WeakPolarHBondContact OD2-CB 3.49Å; D238-R242 IonicContact OD2-CZ 2.77Å; D238-R242 IonicContact OD2-NE 3.57Å; D238-R242 PolarHBondContact OD2-NE 2.69Å; D238-R242 IonicContact OD2-NH2 3.41Å; D238-R242 PolarHBondContact OD2-NH2 2.68Å; E240-R242 VanDerWaalsContact CD-CZ 3.45Å; E240-R242 IonicContact OE1-CZ 3.84Å; E240-R242 IonicContact OE1-NH1 3.5Å; E240-R242 PolarHBondContact OE1-NH1 2.71Å; E240-R242 IonicContact OE1-NH2 3.16Å; E240-R242 PolarHBondContact OE1-NH2 2.81Å; E240-R242 IonicContact OE2-CZ 3.41Å; E240-R242 IonicContact OE2-NH1 3.22Å; E240-R242 PolarHBondContact OE2-NH1 3.02Å; E240-R242 IonicContact OE2-NH2 3.23Å; R242-H244 PolarHBondContact O-CD2 3.19Å; R242-H244 VanDerWaalsContact O-CD2 3.3Å
243	S	95.1	Very high	94.3	Very high	27 Å²	27	31.1 Å²	31.1	19%	0.189	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.3	175.7	140.3	0	0	0	0	111.2	E235	E235-S243 WeakPolarHBondContact OE1-CB 3.39Å; E235-S243 PolarHBondContact OE1-OG 3.05Å
244	H	95.9	Very high	93.9	Very high	7 Å²	7	32.1 Å²	32.1	3%	0.032	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.3	171.3	-57.4	-94	0	0	0	109	I236 D238 R242 L260 E262 L343	I236-H244 HydrophobicContact CB-CB 4.24Å; I236-H244 PolarHBondContact N-O 2.9Å; I236-H244 PolarHBondContact O-N 2.84Å; D238-H244 IonicContact OD2-CD2 2.68Å; D238-H244 IonicContact OD2-NE2 3.73Å; D238-H244 PolarHBondContact OD2-NE2 2.75Å; R242-H244 PolarHBondContact O-CD2 3.19Å; R242-H244 VanDerWaalsContact O-CD2 3.3Å; H244-L260 HydrophobicContact CB-CD2 4.45Å; H244-E262 IonicContact CE1-OE1 3.83Å; H244-E262 PolarHBondContact CE1-OE1 2.81Å; H244-E262 IonicContact CE1-OE2 3.51Å; H244-E262 PolarHBondContact CE1-OE2 3.46Å; H244-E262 VanDerWaalsContact ND1-CD 3.25Å; H244-E262 IonicContact ND1-OE1 2.81Å; H244-E262 PolarHBondContact ND1-OE1 2.85Å; H244-E262 VanDerWaalsContact ND1-OE1 3.14Å; H244-E262 IonicContact ND1-OE2 3.77Å; H244-E262 PolarHBondContact ND1-OE2 2.73Å; H244-E262 VanDerWaalsContact ND1-OE2 3.14Å; H244-L343 HydrophobicContact CB-CD2 4.21Å
245	L	97.8	Very high	93.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	116.9	172.6	-177.2	70.6	0	0	0	109.7	V173 L175 I181 M233 L260 S261 G265 F268	V173-L245 HydrophobicContact CG1-CD1 4.33Å; L175-L245 HydrophobicContact CD2-CD1 3.92Å; I181-L245 HydrophobicContact CD1-CD2 4.13Å; I181-L245 HydrophobicContact CG1-CD1 4.38Å; I181-L245 HydrophobicContact CG1-CD2 4.13Å; I181-L245 HydrophobicContact CG2-CD2 3.96Å; M233-L245 HydrophobicContact CB-CD1 3.93Å; M233-L245 HydrophobicContact CB-CG 4.37Å; M233-L245 HydrophobicContact SD-CD2 3.94Å; L245-L260 CarbonylContact O-C 3.51Å; L245-L260 WeakPolarHBondContact O-CA 3.16Å; L245-S261 PolarHBondContact N-O 3.17Å; L245-S261 PolarHBondContact O-N 3.07Å; L245-G265 VanDerWaalsContact CD2-CA 3.44Å; L245-F268 HydrophobicContact CD2-CE1 4.24Å; L245-F268 HydrophobicContact CD2-CZ 3.8Å; L245-F268 HydrophobicContact CG-CE1 4.28Å; L245-F268 HydrophobicContact CG-CZ 4.31Å
246	Y	97.7	Very high	93.7	Very high	6 Å²	6	33.6 Å²	33.6	2%	0.024	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	135.7	176.3	175.1	-96.1	0	0	0	111	M233 A234 I236 N248 E258 L260 I288 L320	M233-Y246 CarbonylContact C-O 3.5Å; M233-Y246 WeakPolarHBondContact CA-O 3.41Å; M233-Y246 WeakPolarHBondContact CB-O 3.26Å; A234-Y246 PolarHBondContact N-O 2.94Å; A234-Y246 WeakPolarHBondContact O-CB 3.34Å; A234-Y246 PolarHBondContact O-N 2.95Å; I236-Y246 HydrophobicContact CD1-CD2 4.27Å; I236-Y246 HydrophobicContact CD1-CG 4.15Å; Y246-N248 HydrophobicContact CE1-CB 3.81Å; Y246-E258 HydrophobicContact CE2-CB 4.1Å; Y246-E258 HydrophobicContact CE2-CG 4.17Å; Y246-E258 WeakPolarHBondContact OH-CG 3.31Å; Y246-E258 PolarHBondContact OH-OE1 3.33Å; Y246-L260 HydrophobicContact CD2-CD2 3.81Å; Y246-L260 HydrophobicContact CD2-CG 4.47Å; Y246-L260 HydrophobicContact CG-CD2 4.39Å; Y246-I288 HydrophobicContact CD1-CG1 4.11Å; Y246-I288 HydrophobicContact CE1-CD1 4.04Å; Y246-I288 HydrophobicContact CE1-CG1 3.92Å; Y246-L320 HydrophobicContact CD1-CD1 3.65Å; Y246-L320 HydrophobicContact CD2-CD1 4.31Å; Y246-L320 HydrophobicContact CE1-CD1 3.76Å; Y246-L320 HydrophobicContact CE2-CD1 4.43Å; Y246-L320 HydrophobicContact CG-CD1 3.91Å
247	C	98	Very high	93.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128	176.7	173.2	0	0	0	0	110	M233 E258 A259 F268	M233-C247 HydrophobicContact CE-CB 4.3Å; M233-C247 HydrophobicContact CG-CB 4.06Å; C247-E258 VanDerWaalsContact O-CA 3.3Å; C247-E258 WeakPolarHBondContact O-CA 3.4Å; C247-A259 PolarHBondContact N-O 3.07Å; C247-A259 PolarHBondContact O-N 3.38Å; C247-F268 HydrophobicContact CB-CD1 3.8Å; C247-F268 HydrophobicContact CB-CE1 3.35Å; C247-F268 HydrophobicContact CB-CZ 3.83Å
248	N	97.6	Very high	93.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116	171.8	-174.4	-75.7	0	0	0	109.7	C231 E232 Y246 R256 L277 F322	C231-N248 VanDerWaalsContact CA-O 3.24Å; C231-N248 WeakPolarHBondContact CA-O 3.27Å; C231-N248 WeakPolarHBondContact CB-O 3.23Å; E232-N248 PolarHBondContact N-O 3.42Å; E232-N248 VanDerWaalsContact N-O 3.08Å; E232-N248 PolarHBondContact O-N 2.79Å; Y246-N248 HydrophobicContact CE1-CB 3.81Å; N248-R256 VanDerWaalsContact OD1-CZ 3.24Å; N248-R256 PolarHBondContact OD1-NE 3.11Å; N248-R256 PolarHBondContact OD1-NH2 2.99Å; N248-L277 VanDerWaalsContact ND2-CD1 3.29Å; N248-L277 WeakPolarHBondContact ND2-CD1 3.19Å; N248-F322 VanDerWaalsContact OD1-CE2 3.26Å; N248-F322 WeakPolarHBondContact OD1-CE2 3.39Å
249	A	97.8	Very high	93.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.9	-172	0	0	0	0	0	113.2	A206 C231 C257	A206-A249 HydrophobicContact CB-CB 4.16Å; C231-A249 HydrophobicContact CB-CB 3.61Å; A249-C257 HydrophobicContact CB-CB 4.3Å; A249-C257 PolarHBondContact N-O 3.13Å; A249-C257 PolarHBondContact O-N 2.99Å
250	R	97.4	Very high	94.2	Very high	45 Å²	45	30.5 Å²	30.5	17%	0.17	19%	0.185	C	C	.	.			trans	-60.1	135.4	170.9	177.6	-179.3	170.3	-175.8	-5.5	109.9	C229 E230 R256 Y282 G283 C284 Y361	C229-R250 HydrophobicContact CB-CB 4.24Å; C229-R250 HydrophobicContact CB-CG 4.42Å; C229-R250 PolarHBondContact N-O 2.88Å; E230-R250 HydrophobicContact CB-CB 4.25Å; E230-R250 VanDerWaalsContact O-CB 3.28Å; E230-R250 WeakPolarHBondContact O-CB 3.33Å; E230-R250 PolarHBondContact O-N 2.92Å; E230-R250 IonicContact OE1-NH1 3.05Å; E230-R250 WeakPolarHBondContact OE2-CD 3.26Å; E230-R250 IonicContact OE2-CZ 3.62Å; E230-R250 IonicContact OE2-NE 3Å; E230-R250 IonicContact OE2-NH1 3.29Å; E230-R250 PolarHBondContact OE2-NH1 2.95Å; R250-R256 VanDerWaalsContact CA-NH1 3.27Å; R250-Y282 PolarHBondContact NE-O 2.8Å; R250-Y282 PolarHBondContact NH2-O 3.2Å; R250-G283 VanDerWaalsContact NE-C 3.31Å; R250-C284 WeakPolarHBondContact CD-O 3.44Å; R250-C284 WeakPolarHBondContact CG-O 3.39Å; R250-Y361 PolarHBondContact NH1-OH 3.49Å
251	N	93.5	Very high	94.5	Very high	20 Å²	20	24.9 Å²	24.9	11%	0.107	16%	0.159	C	C	.	.			trans	-145.6	138.7	177.6	165.4	65	0	0	0	110.9	K227 G253 H255 C257 M273 E279	K227-N251 PolarHBondContact O-OD1 2.76Å; N251-G253 VanDerWaalsContact ND2-CA 3.32Å; N251-G253 WeakPolarHBondContact ND2-CA 3.42Å; N251-G253 PolarHBondContact ND2-N 2.87Å; N251-G253 PolarHBondContact O-N 3.08Å; N251-G253 VanDerWaalsContact O-N 3.13Å; N251-H255 WeakPolarHBondContact CB-O 3.25Å; N251-H255 PolarHBondContact ND2-O 2.89Å; N251-C257 HydrophobicContact CB-CB 4.2Å; N251-M273 PolarHBondContact ND2-SD 3.18Å; N251-E279 WeakPolarHBondContact O-CG 3.26Å
252	A	84.4	Confident	94.7	Very high	75 Å²	75	28.1 Å²	28.1	62%	0.62	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	13	-178.5	0	0	0	0	0	113.8
253	G	81.2	Confident	94.8	Very high	55 Å²	55	24.7 Å²	24.7	57%	0.567	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	14.7	-179.5	0	0	0	0	0	114.5	N251 H255	N251-G253 VanDerWaalsContact ND2-CA 3.32Å; N251-G253 WeakPolarHBondContact ND2-CA 3.42Å; N251-G253 PolarHBondContact ND2-N 2.87Å; N251-G253 PolarHBondContact O-N 3.08Å; N251-G253 VanDerWaalsContact O-N 3.13Å; G253-H255 VanDerWaalsContact C-N 3.27Å; G253-H255 PolarHBondContact O-N 3.13Å
254	G	91.8	Very high	94.7	Very high	23 Å²	23	23.9 Å²	23.9	24%	0.237	15%	0.148	C	C	.	.	S	Bend	trans	83.6	-7.1	176.6	0	0	0	0	0	115.3	E279	G254-E279 CarbonylContact C-O 3.51Å; G254-E279 WeakPolarHBondContact CA-O 3.45Å; G254-E279 PolarHBondContact O-N 2.92Å; G254-E279 VanDerWaalsContact O-O 3.12Å
255	H	94.9	Very high	94.5	Very high	57 Å²	57	23.6 Å²	23.6	26%	0.264	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	154.6	175.4	-62.4	-22.5	0	0	0	110.6	N251 G253 M273 A274 L277	N251-H255 WeakPolarHBondContact CB-O 3.25Å; N251-H255 PolarHBondContact ND2-O 2.89Å; G253-H255 VanDerWaalsContact C-N 3.27Å; G253-H255 PolarHBondContact O-N 3.13Å; H255-M273 HydrophobicContact CB-CB 4.34Å; H255-A274 WeakPolarHBondContact CB-O 3.23Å; H255-L277 WeakPolarHBondContact CA-O 3.47Å
256	R	96.4	Very high	94.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	151	172	-56.8	-61.2	-66.1	-173	-6.2	111	N248 R250 M273 A274 L277 E279 C284 F322	N248-R256 VanDerWaalsContact OD1-CZ 3.24Å; N248-R256 PolarHBondContact OD1-NE 3.11Å; N248-R256 PolarHBondContact OD1-NH2 2.99Å; R250-R256 VanDerWaalsContact CA-NH1 3.27Å; R256-M273 WeakPolarHBondContact O-CA 3.47Å; R256-A274 PolarHBondContact O-N 2.86Å; R256-L277 HydrophobicContact CB-CB 3.91Å; R256-L277 HydrophobicContact CB-CD1 4.29Å; R256-L277 HydrophobicContact CG-CB 3.54Å; R256-L277 HydrophobicContact CG-CD1 4.15Å; R256-L277 PolarHBondContact N-O 3.17Å; R256-E279 WeakPolarHBondContact CD-OE2 3.19Å; R256-E279 IonicContact CZ-OE2 3.95Å; R256-E279 IonicContact NH1-OE2 3.21Å; R256-E279 PolarHBondContact NH1-OE2 3.04Å; R256-C284 PolarHBondContact NH1-O 3.31Å; R256-F322 HydrophobicContact CG-CE1 4.2Å; R256-F322 HydrophobicContact CG-CZ 3.96Å
257	C	96.1	Very high	94.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	123.8	170.8	-175.2	0	0	0	0	109.3	A249 N251 H272 M273	A249-C257 HydrophobicContact CB-CB 4.3Å; A249-C257 PolarHBondContact N-O 3.13Å; A249-C257 PolarHBondContact O-N 2.99Å; N251-C257 HydrophobicContact CB-CB 4.2Å; C257-H272 CarbonylContact C-O 3.56Å; C257-H272 WeakPolarHBondContact CA-O 3.23Å; C257-M273 HydrophobicContact CB-CE 3.45Å; C257-M273 VanDerWaalsContact CB-CE 3.45Å; C257-M273 VanDerWaalsContact SG-CE 3.5Å
258	E	96.3	Very high	94.3	Very high	8 Å²	8	30.1 Å²	30.1	4%	0.037	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	147.3	179.7	-64.6	179.6	172	0	0	110.6	Y246 C247 P271 H272 A274 L277 W348	Y246-E258 HydrophobicContact CE2-CB 4.1Å; Y246-E258 HydrophobicContact CE2-CG 4.17Å; Y246-E258 WeakPolarHBondContact OH-CG 3.31Å; Y246-E258 PolarHBondContact OH-OE1 3.33Å; C247-E258 VanDerWaalsContact O-CA 3.3Å; C247-E258 WeakPolarHBondContact O-CA 3.4Å; E258-P271 CarbonylContact O-C 2.91Å; E258-P271 VanDerWaalsContact O-CA 3.22Å; E258-P271 WeakPolarHBondContact O-CA 3.1Å; E258-H272 PolarHBondContact N-O 3.31Å; E258-H272 PolarHBondContact O-N 3.28Å; E258-H272 IonicContact OE2-NE2 3.62Å; E258-A274 HydrophobicContact CG-CB 3.77Å; E258-A274 WeakPolarHBondContact OE1-CB 3.43Å; E258-L277 WeakPolarHBondContact OE1-CD1 3.08Å; E258-W348 PolarHBondContact OE1-NE1 3.49Å
259	A	96.1	Very high	93.9	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	150	173.5	0	0	0	0	0	111.3	L224 C247 F268 P271	L224-A259 HydrophobicContact CD2-CB 4.03Å; L224-A259 HydrophobicContact CG-CB 4.44Å; C247-A259 PolarHBondContact N-O 3.07Å; C247-A259 PolarHBondContact O-N 3.38Å; A259-F268 HydrophobicContact CB-CB 3.74Å; A259-F268 HydrophobicContact CB-CD1 4Å; A259-F268 HydrophobicContact CB-CG 4.2Å; A259-P271 HydrophobicContact CB-CB 3.95Å
260	L	96	Very high	93.5	Very high	44 Å²	44	42.2 Å²	42.2	23%	0.23	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	150.9	175.9	-72.1	167.7	0	0	0	110.4	I236 H244 L245 Y246 F268 D269 L343	I236-L260 HydrophobicContact CD1-CD2 3.86Å; H244-L260 HydrophobicContact CB-CD2 4.45Å; L245-L260 CarbonylContact O-C 3.51Å; L245-L260 WeakPolarHBondContact O-CA 3.16Å; Y246-L260 HydrophobicContact CD2-CD2 3.81Å; Y246-L260 HydrophobicContact CD2-CG 4.47Å; Y246-L260 HydrophobicContact CG-CD2 4.39Å; L260-F268 CarbonylContact O-C 3.27Å; L260-F268 WeakPolarHBondContact O-CA 3.36Å; L260-D269 PolarHBondContact O-N 2.88Å; L260-L343 HydrophobicContact CD1-CD2 4.05Å; L260-L343 HydrophobicContact CD2-CD2 4.23Å
261	S	96.7	Very high	93.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	117.9	176.1	173	0	0	0	0	109.9	L245 N263 G265 Y267	L245-S261 PolarHBondContact N-O 3.17Å; L245-S261 PolarHBondContact O-N 3.07Å; S261-N263 PolarHBondContact O-N 2.88Å; S261-N263 PolarHBondContact OG-OD1 2.9Å; S261-G265 WeakPolarHBondContact OG-CA 3.5Å; S261-G265 PolarHBondContact OG-N 2.95Å; S261-Y267 WeakPolarHBondContact CB-O 3.28Å; S261-Y267 PolarHBondContact OG-O 3.43Å
262	E	95.1	Very high	93.2	Very high	108 Å²	108	42.9 Å²	42.9	51%	0.505	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-1.2	177.3	-63.1	-73.3	172.9	0	0	112.8	H244	H244-E262 IonicContact CE1-OE1 3.83Å; H244-E262 PolarHBondContact CE1-OE1 2.81Å; H244-E262 IonicContact CE1-OE2 3.51Å; H244-E262 PolarHBondContact CE1-OE2 3.46Å; H244-E262 VanDerWaalsContact ND1-CD 3.25Å; H244-E262 IonicContact ND1-OE1 2.81Å; H244-E262 PolarHBondContact ND1-OE1 2.85Å; H244-E262 VanDerWaalsContact ND1-OE1 3.14Å; H244-E262 IonicContact ND1-OE2 3.77Å; H244-E262 PolarHBondContact ND1-OE2 2.73Å; H244-E262 VanDerWaalsContact ND1-OE2 3.14Å
263	N	94.4	Very high	93.7	Very high	42 Å²	42	42.2 Å²	42.2	23%	0.225	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.6	35.5	-175.6	64.6	9.3	0	0	0	112.9	R179 S261 G265 V266 Y267	R179-N263 PolarHBondContact NH1-O 3.23Å; S261-N263 PolarHBondContact O-N 2.88Å; S261-N263 PolarHBondContact OG-OD1 2.9Å; N263-G265 VanDerWaalsContact C-N 3.28Å; N263-G265 PolarHBondContact O-N 3.36Å; N263-V266 WeakPolarHBondContact O-CG2 3.33Å; N263-V266 PolarHBondContact O-N 3.01Å; N263-V266 PolarHBondContact OD1-N 2.79Å; N263-Y267 WeakPolarHBondContact ND2-CD1 3.45Å; N263-Y267 WeakPolarHBondContact ND2-CE1 3.43Å; N263-Y267 PolarHBondContact OD1-N 3.39Å; N263-Y267 PolarHBondContact OD1-O 3.3Å
264	S	93.3	Very high	94.3	Very high	10 Å²	10	39.6 Å²	39.6	7%	0.07	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	46	172.1	-56.9	0	0	0	0	112.1	L175 N177 R179 I181	L175-S264 VanDerWaalsContact CD1-CB 3.49Å; N177-S264 PolarHBondContact ND2-OG 2.86Å; R179-S264 WeakPolarHBondContact CD-O 3.32Å; R179-S264 VanDerWaalsContact NH1-CB 3.3Å; R179-S264 PolarHBondContact NH1-O 2.81Å; I181-S264 WeakPolarHBondContact CD1-O 3.47Å
265	G	92.6	Very high	94.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.4	-1.4	169.9	0	0	0	0	0	116.6	S208 L245 S261 N263 Y267	S208-G265 PolarHBondContact OG-O 2.83Å; L245-G265 VanDerWaalsContact CD2-CA 3.44Å; S261-G265 WeakPolarHBondContact OG-CA 3.5Å; S261-G265 PolarHBondContact OG-N 2.95Å; N263-G265 VanDerWaalsContact C-N 3.28Å; N263-G265 PolarHBondContact O-N 3.36Å; G265-Y267 VanDerWaalsContact C-N 3.3Å; G265-Y267 PolarHBondContact O-N 3.36Å
266	V	96.3	Very high	94.3	Very high	42 Å²	42	42.6 Å²	42.6	26%	0.255	21%	0.21	S	C	.	.	S	Bend	trans	-64.2	-37.5	178.3	175.9	0	0	0	0	111.1	Y210 K222 N263	Y210-V266 HydrophobicContact CE1-CG2 4.3Å; Y210-V266 HydrophobicContact CE2-CG2 4.43Å; K222-V266 PolarHBondContact N-O 2.96Å; N263-V266 WeakPolarHBondContact O-CG2 3.33Å; N263-V266 PolarHBondContact O-N 3.01Å; N263-V266 PolarHBondContact OD1-N 2.79Å
267	Y	95.9	Very high	94.2	Very high	85 Å²	85	42.6 Å²	42.6	33%	0.333	21%	0.21	S	C	.	.			trans	-150.6	161	164.9	70.3	-102.6	0	0	0	111.1	S261 N263 G265 D269	S261-Y267 WeakPolarHBondContact CB-O 3.28Å; S261-Y267 PolarHBondContact OG-O 3.43Å; N263-Y267 WeakPolarHBondContact ND2-CD1 3.45Å; N263-Y267 WeakPolarHBondContact ND2-CE1 3.43Å; N263-Y267 PolarHBondContact OD1-N 3.39Å; N263-Y267 PolarHBondContact OD1-O 3.3Å; G265-Y267 VanDerWaalsContact C-N 3.3Å; G265-Y267 PolarHBondContact O-N 3.36Å; Y267-D269 WeakPolarHBondContact CE2-OD1 3.29Å; Y267-D269 WeakPolarHBondContact CE2-OD2 3.47Å
268	F	95.8	Very high	94.1	Very high	16 Å²	16	43.3 Å²	43.3	7%	0.07	21%	0.214	C	C	.	.			trans	-113.2	135	176.2	-68	-92.1	0	0	0	111.4	L224 M233 L245 C247 A259 L260	L224-F268 HydrophobicContact CD1-CB 3.89Å; L224-F268 HydrophobicContact CD1-CD2 3.5Å; L224-F268 VanDerWaalsContact CD1-CD2 3.5Å; L224-F268 HydrophobicContact CD1-CE2 4.22Å; L224-F268 HydrophobicContact CD1-CG 3.78Å; L224-F268 HydrophobicContact CG-CB 4.22Å; M233-F268 HydrophobicContact CE-CE2 3.92Å; M233-F268 HydrophobicContact CE-CZ 3.66Å; M233-F268 HydrophobicContact SD-CE2 4.48Å; M233-F268 HydrophobicContact SD-CZ 3.77Å; L245-F268 HydrophobicContact CD2-CE1 4.24Å; L245-F268 HydrophobicContact CD2-CZ 3.8Å; L245-F268 HydrophobicContact CG-CE1 4.28Å; L245-F268 HydrophobicContact CG-CZ 4.31Å; C247-F268 HydrophobicContact CB-CD1 3.8Å; C247-F268 HydrophobicContact CB-CE1 3.35Å; C247-F268 HydrophobicContact CB-CZ 3.83Å; A259-F268 HydrophobicContact CB-CB 3.74Å; A259-F268 HydrophobicContact CB-CD1 4Å; A259-F268 HydrophobicContact CB-CG 4.2Å; L260-F268 CarbonylContact O-C 3.27Å; L260-F268 WeakPolarHBondContact O-CA 3.36Å
269	D	90.1	Very high	93.9	Very high	68 Å²	68	43 Å²	43	36%	0.364	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	141.9	-179.8	-79.4	-46.1	0	0	0	112.5	L260 Y267 P271	L260-D269 PolarHBondContact O-N 2.88Å; Y267-D269 WeakPolarHBondContact CE2-OD1 3.29Å; Y267-D269 WeakPolarHBondContact CE2-OD2 3.47Å; D269-P271 VanDerWaalsContact O-N 3.11Å
270	K	88.3	Confident	93.6	Very high	188 Å²	188	43.4 Å²	43.4	82%	0.817	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	35.8	59.7	168.8	-60.1	176.2	-174.6	168.7	0	114	H272	K270-H272 PolarHBondContact O-N 2.87Å
271	P	93.2	Very high	93	Very high	12 Å²	12	50.3 Å²	50.3	8%	0.078	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	137.8	177.5	23.8	-34.3	0	0	0	110.1	L224 R225 K226 E258 A259 D269	L224-P271 HydrophobicContact CD2-CB 4.12Å; L224-P271 HydrophobicContact CG-CB 4.43Å; R225-P271 HydrophobicContact CB-CG 4.29Å; K226-P271 HydrophobicContact CB-CB 4.24Å; K226-P271 HydrophobicContact CB-CG 4.14Å; K226-P271 HydrophobicContact CD-CB 4.28Å; K226-P271 HydrophobicContact CD-CG 4.37Å; K226-P271 WeakPolarHBondContact CD-O 2.98Å; K226-P271 WeakPolarHBondContact CE-O 3.23Å; K226-P271 HydrophobicContact CG-CB 4.32Å; K226-P271 HydrophobicContact CG-CG 4Å; E258-P271 CarbonylContact O-C 2.91Å; E258-P271 VanDerWaalsContact O-CA 3.22Å; E258-P271 WeakPolarHBondContact O-CA 3.1Å; A259-P271 HydrophobicContact CB-CB 3.95Å; D269-P271 VanDerWaalsContact O-N 3.11Å
272	H	93.1	Very high	92.5	Very high	67 Å²	67	58.4 Å²	58.4	31%	0.31	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	166.4	-177.6	63.7	-79.4	0	0	0	111.3	C257 E258 K270	C257-H272 CarbonylContact C-O 3.56Å; C257-H272 WeakPolarHBondContact CA-O 3.23Å; E258-H272 PolarHBondContact N-O 3.31Å; E258-H272 PolarHBondContact O-N 3.28Å; E258-H272 IonicContact OE2-NE2 3.62Å; K270-H272 PolarHBondContact O-N 2.87Å
273	M	94.1	Very high	92.3	Very high	60 Å²	60	53.2 Å²	53.2	30%	0.296	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	136.5	174.8	-59.3	-66.7	92.1	0	0	108.2	K226 N251 H255 R256 C257 P275	K226-M273 HydrophobicContact CD-CE 4.01Å; N251-M273 PolarHBondContact ND2-SD 3.18Å; H255-M273 HydrophobicContact CB-CB 4.34Å; R256-M273 WeakPolarHBondContact O-CA 3.47Å; C257-M273 HydrophobicContact CB-CE 3.45Å; C257-M273 VanDerWaalsContact CB-CE 3.45Å; C257-M273 VanDerWaalsContact SG-CE 3.5Å; M273-P275 VanDerWaalsContact O-CD 3.26Å; M273-P275 WeakPolarHBondContact O-CD 3.37Å
274	A	93.7	Very high	92.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	102.2	178.2	0	0	0	0	0	110.5	H255 R256 E258 E276 L277	H255-A274 WeakPolarHBondContact CB-O 3.23Å; R256-A274 PolarHBondContact O-N 2.86Å; E258-A274 HydrophobicContact CG-CB 3.77Å; E258-A274 WeakPolarHBondContact OE1-CB 3.43Å; A274-E276 PolarHBondContact O-N 2.95Å; A274-L277 HydrophobicContact CB-CB 4.11Å; A274-L277 HydrophobicContact CB-CD1 4.45Å; A274-L277 HydrophobicContact CB-CG 4.23Å; A274-L277 PolarHBondContact O-N 3.42Å; A274-L277 VanDerWaalsContact O-N 3.13Å
275	P	92.3	Very high	92.6	Very high	77 Å²	77	50.8 Å²	50.8	50%	0.5	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	-27.5	-173.5	-23.4	36.1	0	0	0	114.1	M273	M273-P275 VanDerWaalsContact O-CD 3.26Å; M273-P275 WeakPolarHBondContact O-CD 3.37Å
276	E	93.6	Very high	92.8	Very high	67 Å²	67	50.8 Å²	50.8	31%	0.313	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-29.2	179.7	-60.1	75.6	-164.4	0	0	112.1	A274 V278 W348	A274-E276 PolarHBondContact O-N 2.95Å; E276-V278 PolarHBondContact O-N 3.47Å; E276-W348 HydrophobicContact CB-CB 3.79Å; E276-W348 HydrophobicContact CB-CG 4.49Å; E276-W348 HydrophobicContact CG-CB 4.31Å
277	L	95.1	Very high	92.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	86.6	-178.6	-57.9	-168.6	0	0	0	110.9	N248 H255 R256 E258 A274 F322 Y337 W348	N248-L277 VanDerWaalsContact ND2-CD1 3.29Å; N248-L277 WeakPolarHBondContact ND2-CD1 3.19Å; H255-L277 WeakPolarHBondContact CA-O 3.47Å; R256-L277 HydrophobicContact CB-CB 3.91Å; R256-L277 HydrophobicContact CB-CD1 4.29Å; R256-L277 HydrophobicContact CG-CB 3.54Å; R256-L277 HydrophobicContact CG-CD1 4.15Å; R256-L277 PolarHBondContact N-O 3.17Å; E258-L277 WeakPolarHBondContact OE1-CD1 3.08Å; A274-L277 HydrophobicContact CB-CB 4.11Å; A274-L277 HydrophobicContact CB-CD1 4.45Å; A274-L277 HydrophobicContact CB-CG 4.23Å; A274-L277 PolarHBondContact O-N 3.42Å; A274-L277 VanDerWaalsContact O-N 3.13Å; L277-F322 HydrophobicContact CB-CE1 4.39Å; L277-F322 HydrophobicContact CD1-CD1 3.75Å; L277-F322 HydrophobicContact CD1-CE1 3.9Å; L277-F322 HydrophobicContact CD1-CG 4.2Å; L277-F322 HydrophobicContact CD1-CZ 4.5Å; L277-F322 HydrophobicContact CD2-CD1 3.74Å; L277-F322 HydrophobicContact CD2-CE1 4.16Å; L277-F322 HydrophobicContact CG-CD1 4.29Å; L277-F322 HydrophobicContact CG-CE1 4.4Å; L277-Y337 HydrophobicContact CD2-CD1 3.69Å; L277-Y337 HydrophobicContact CD2-CD2 4.34Å; L277-Y337 HydrophobicContact CD2-CE1 3.99Å; L277-Y337 HydrophobicContact CD2-CG 3.88Å; L277-W348 HydrophobicContact CD1-CD2 4.22Å; L277-W348 HydrophobicContact CD1-CG 4.47Å; L277-W348 HydrophobicContact CD1-CZ2 4.14Å; L277-W348 HydrophobicContact CD2-CB 4.17Å; L277-W348 HydrophobicContact CD2-CD2 3.78Å; L277-W348 HydrophobicContact CD2-CE3 4.26Å; L277-W348 HydrophobicContact CD2-CG 3.72Å; L277-W348 HydrophobicContact CG-CD2 4.23Å; L277-W348 HydrophobicContact CG-CG 4.04Å
278	V	94.6	Very high	93	Very high	15 Å²	15	44.8 Å²	44.8	9%	0.091	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	154.4	179.8	-60.2	0	0	0	0	112.3	E276 H324 T326 K328	E276-V278 PolarHBondContact O-N 3.47Å; V278-H324 PolarHBondContact O-CE1 2.6Å; V278-H324 PolarHBondContact O-ND1 2.93Å; V278-T326 VanDerWaalsContact CG2-O 3.31Å; V278-T326 WeakPolarHBondContact CG2-O 3.33Å; V278-K328 HydrophobicContact CB-CG 3.97Å; V278-K328 HydrophobicContact CG1-CD 4.37Å; V278-K328 HydrophobicContact CG1-CG 3.97Å; V278-K328 HydrophobicContact CG2-CG 4.35Å
279	E	92.5	Very high	93.1	Very high	2 Å²	2	45 Å²	45	1%	0.009	21%	0.206	C	C	.	.			trans	-144.3	151.3	-178	-174.9	57.2	-84.7	0	0	109.7	N251 G254 R256 G283 C284 H324	N251-E279 WeakPolarHBondContact O-CG 3.26Å; G254-E279 CarbonylContact C-O 3.51Å; G254-E279 WeakPolarHBondContact CA-O 3.45Å; G254-E279 PolarHBondContact O-N 2.92Å; G254-E279 VanDerWaalsContact O-O 3.12Å; R256-E279 WeakPolarHBondContact CD-OE2 3.19Å; R256-E279 IonicContact CZ-OE2 3.95Å; R256-E279 IonicContact NH1-OE2 3.21Å; R256-E279 PolarHBondContact NH1-OE2 3.04Å; E279-G283 VanDerWaalsContact CD-CA 3.41Å; E279-G283 VanDerWaalsContact OE1-CA 3.27Å; E279-G283 WeakPolarHBondContact OE1-CA 3.47Å; E279-C284 VanDerWaalsContact CD-N 3.26Å; E279-C284 PolarHBondContact OE1-N 2.7Å; E279-C284 PolarHBondContact OE2-N 2.88Å; E279-H324 IonicContact OE1-CE1 2.68Å; E279-H324 PolarHBondContact OE1-CE1 2.98Å; E279-H324 VanDerWaalsContact OE1-CE1 3.32Å; E279-H324 IonicContact OE1-NE2 3.32Å; E279-H324 PolarHBondContact OE1-NE2 3.08Å; E279-H324 IonicContact OE2-CD2 3.65Å; E279-H324 IonicContact OE2-CE1 2.84Å; E279-H324 IonicContact OE2-NE2 3.85Å; E279-H324 PolarHBondContact OE2-NE2 2.92Å
280	T	88	Confident	93.4	Very high	8 Å²	8	42.9 Å²	42.9	5%	0.049	20%	0.2	C	C	.	.			trans	-73.9	163.4	176.3	65.3	0	0	0	0	111.3	Y282 G283 R331	T280-Y282 PolarHBondContact O-N 3.41Å; T280-Y282 VanDerWaalsContact O-N 3.11Å; T280-G283 PolarHBondContact O-N 3.04Å; T280-G283 WeakPolarHBondContact OG1-CA 3.38Å; T280-G283 PolarHBondContact OG1-N 2.94Å; T280-G283 VanDerWaalsContact OG1-N 3.08Å; T280-R331 HydrophobicContact CG2-CG 4.49Å
281	R	83.9	Confident	93.7	Very high	190 Å²	190	34.1 Å²	34.1	72%	0.717	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-36.6	177.9	-178.4	178.2	178.2	-179.8	-0.3	113.7
282	Y	86.1	Confident	93.7	Very high	169 Å²	169	37.3 Å²	37.3	66%	0.663	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-8	178.3	-60	-65.7	0	0	0	112.8	R250 T280	R250-Y282 PolarHBondContact NE-O 2.8Å; R250-Y282 PolarHBondContact NH2-O 3.2Å; T280-Y282 PolarHBondContact O-N 3.41Å; T280-Y282 VanDerWaalsContact O-N 3.11Å
283	G	91.9	Very high	93.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.			trans	73.9	165.6	-175.2	0	0	0	0	0	115.2	R250 E279 T280 R331	R250-G283 VanDerWaalsContact NE-C 3.31Å; E279-G283 VanDerWaalsContact CD-CA 3.41Å; E279-G283 VanDerWaalsContact OE1-CA 3.27Å; E279-G283 WeakPolarHBondContact OE1-CA 3.47Å; T280-G283 PolarHBondContact O-N 3.04Å; T280-G283 WeakPolarHBondContact OG1-CA 3.38Å; T280-G283 PolarHBondContact OG1-N 2.94Å; T280-G283 VanDerWaalsContact OG1-N 3.08Å; G283-R331 PolarHBondContact O-NE 3.05Å; G283-R331 PolarHBondContact O-NH2 2.75Å
284	C	96.2	Very high	93	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.176	C	C	.	.			trans	-137.8	156	170.9	-163.6	0	0	0	0	108.5	R250 R256 E279 R331	R250-C284 WeakPolarHBondContact CD-O 3.44Å; R250-C284 WeakPolarHBondContact CG-O 3.39Å; R256-C284 PolarHBondContact NH1-O 3.31Å; E279-C284 VanDerWaalsContact CD-N 3.26Å; E279-C284 PolarHBondContact OE1-N 2.7Å; E279-C284 PolarHBondContact OE2-N 2.88Å; C284-R331 HydrophobicContact CB-CG 4.32Å
285	Q	97.2	Very high	91.9	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.216	C	C	.	.			trans	-66	154.7	161.3	178	-86.2	-5.7	0	0	108.5	P169 E230 E232 H324 Y361 S362	P169-Q285 HydrophobicContact CG-CG 4.11Å; E230-Q285 HydrophobicContact CB-CB 4.38Å; E232-Q285 PolarHBondContact OE1-NE2 3.31Å; Q285-H324 PolarHBondContact O-CD2 3.14Å; Q285-Y361 HydrophobicContact CB-CD1 4.3Å; Q285-Y361 HydrophobicContact CB-CD2 3.4Å; Q285-Y361 HydrophobicContact CB-CE1 4.32Å; Q285-Y361 HydrophobicContact CB-CE2 3.41Å; Q285-Y361 VanDerWaalsContact CB-CE2 3.41Å; Q285-Y361 HydrophobicContact CB-CG 3.85Å; Q285-Y361 HydrophobicContact CG-CD2 4.02Å; Q285-Y361 HydrophobicContact CG-CE2 4.27Å; Q285-S362 PolarHBondContact NE2-O 3.27Å; Q285-S362 PolarHBondContact OE1-O 3.49Å; Q285-S362 VanDerWaalsContact OE1-O 3.05Å
286	G	97.3	Very high	90	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.227	C	C	.	.			trans	-149.6	155.4	171.7	0	0	0	0	0	108.3	M323	G286-M323 CarbonylContact C-O 3.56Å; G286-M323 VanDerWaalsContact CA-O 3.29Å; G286-M323 WeakPolarHBondContact CA-O 3.31Å
287	S	98.6	Very high	87.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	141.3	-170.7	179.3	0	0	0	0	112.8	E232 F322 M323 S362 D363 L364	E232-S287 VanDerWaalsContact CD-CA 3.44Å; E232-S287 WeakPolarHBondContact OE1-CA 3.43Å; E232-S287 WeakPolarHBondContact OE1-CB 3.04Å; E232-S287 PolarHBondContact OE1-OG 3.17Å; E232-S287 WeakPolarHBondContact OE2-CA 3.41Å; E232-S287 WeakPolarHBondContact OE2-CB 3.3Å; E232-S287 PolarHBondContact OE2-OG 2.94Å; S287-F322 CarbonylContact O-C 3.53Å; S287-F322 VanDerWaalsContact O-CA 3.27Å; S287-F322 WeakPolarHBondContact O-CA 3.34Å; S287-F322 WeakPolarHBondContact O-CD2 3.21Å; S287-M323 PolarHBondContact N-O 2.84Å; S287-M323 PolarHBondContact O-N 2.98Å; S287-S362 WeakPolarHBondContact CB-O 3.42Å; S287-D363 PolarHBondContact OG-OD1 2.79Å; S287-D363 VanDerWaalsContact OG-OD1 3.14Å; S287-L364 PolarHBondContact OG-N 2.59Å
288	I	98.4	Very high	84.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.5	179.4	-167.7	73.3	0	0	0	110.4	H171 E232 A234 Y246 L320 L321 F322 W348	H171-I288 PolarHBondContact CE1-O 3.15Å; H171-I288 VanDerWaalsContact CE1-O 3.29Å; H171-I288 PolarHBondContact NE2-O 3.38Å; E232-I288 HydrophobicContact CB-CG2 3.56Å; E232-I288 PolarHBondContact OE2-N 3.2Å; A234-I288 HydrophobicContact CB-CG1 4.12Å; A234-I288 HydrophobicContact CB-CG2 4.22Å; Y246-I288 HydrophobicContact CD1-CG1 4.11Å; Y246-I288 HydrophobicContact CE1-CD1 4.04Å; Y246-I288 HydrophobicContact CE1-CG1 3.92Å; I288-L320 HydrophobicContact CD1-CB 4.16Å; I288-L320 HydrophobicContact CD1-CD1 4.37Å; I288-L321 WeakPolarHBondContact CA-O 3.12Å; I288-L321 WeakPolarHBondContact CD1-O 3.41Å; I288-F322 HydrophobicContact CB-CD2 4.44Å; I288-F322 HydrophobicContact CD1-CB 3.7Å; I288-F322 HydrophobicContact CD1-CD2 4.17Å; I288-F322 HydrophobicContact CD1-CG 4.39Å; I288-W348 HydrophobicContact CD1-CH2 3.51Å; I288-W348 HydrophobicContact CD1-CZ2 4.03Å
289	I	97.6	Very high	82	Confident	21 Å²	21	59.2 Å²	59.2	11%	0.108	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	141.9	170.9	-163.8	159	0	0	0	111.1	L320 L321 L364 Y366 F373	I289-L320 WeakPolarHBondContact O-CA 3.3Å; I289-L321 HydrophobicContact CG2-CB 4.07Å; I289-L321 PolarHBondContact N-O 3.09Å; I289-L321 PolarHBondContact O-N 2.92Å; I289-L364 HydrophobicContact CB-CB 4.33Å; I289-L364 HydrophobicContact CG2-CB 4.11Å; I289-L364 HydrophobicContact CG2-CD1 4.08Å; I289-Y366 VanDerWaalsContact CD1-N 3.26Å; I289-F373 HydrophobicContact CG2-CD1 4.47Å; I289-F373 HydrophobicContact CG2-CE1 4.48Å
290	G	96	Very high	79.7	Confident	24 Å²	24	66.8 Å²	66.8	25%	0.247	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	140.1	169.1	0	0	0	0	0	110.8	W319	G290-W319 WeakPolarHBondContact CA-O 3.27Å
291	F	94.9	Very high	77.5	Confident	4 Å²	4	73.7 Å²	73.7	2%	0.018	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	153	176.7	65.4	-78.2	0	0	0	110.6	A293 T318 W319 L321 L338 Y366 F373 L395	F291-A293 PolarHBondContact O-N 2.87Å; F291-T318 WeakPolarHBondContact O-CA 3.28Å; F291-T318 WeakPolarHBondContact O-CG2 3.41Å; F291-W319 HydrophobicContact CD1-CB 4.41Å; F291-W319 VanDerWaalsContact CD1-O 3.32Å; F291-W319 WeakPolarHBondContact CD1-O 3.09Å; F291-W319 HydrophobicContact CE1-CB 3.72Å; F291-W319 HydrophobicContact CE2-CB 3.94Å; F291-W319 HydrophobicContact CE2-CE3 4.09Å; F291-W319 HydrophobicContact CZ-CB 3.48Å; F291-W319 VanDerWaalsContact CZ-CB 3.48Å; F291-W319 HydrophobicContact CZ-CE3 4.02Å; F291-W319 HydrophobicContact CZ-CG 4.42Å; F291-W319 PolarHBondContact N-O 2.88Å; F291-W319 PolarHBondContact O-N 3.04Å; F291-L321 HydrophobicContact CD1-CG 4.32Å; F291-L321 HydrophobicContact CE1-CB 4.38Å; F291-L321 HydrophobicContact CE1-CD1 4.49Å; F291-L321 HydrophobicContact CE1-CD2 4.28Å; F291-L321 HydrophobicContact CE1-CG 3.64Å; F291-L321 HydrophobicContact CZ-CG 4.28Å; F291-L338 HydrophobicContact CE1-CD1 4.23Å; F291-L338 HydrophobicContact CZ-CD1 3.8Å; F291-Y366 HydrophobicContact CB-CD1 3.69Å; F291-Y366 HydrophobicContact CB-CD2 4.08Å; F291-Y366 HydrophobicContact CB-CE1 3.73Å; F291-Y366 HydrophobicContact CB-CE2 4.07Å; F291-Y366 HydrophobicContact CB-CG 3.89Å; F291-F373 HydrophobicContact CB-CE1 4.26Å; F291-F373 HydrophobicContact CB-CZ 4.48Å; F291-F373 AromaticContact CD1-CE1 3.84Å; F291-F373 HydrophobicContact CD1-CE1 3.84Å; F291-F373 AromaticContact CD1-CZ 3.9Å; F291-F373 HydrophobicContact CD1-CZ 3.9Å; F291-F373 HydrophobicContact CD2-CE1 4.38Å; F291-F373 AromaticContact CD2-CZ 3.8Å; F291-F373 HydrophobicContact CD2-CZ 3.8Å; F291-F373 HydrophobicContact CE1-CE1 4.3Å; F291-F373 HydrophobicContact CE1-CZ 4.05Å; F291-F373 AromaticContact CE2-CZ 3.92Å; F291-F373 HydrophobicContact CE2-CZ 3.92Å; F291-F373 AromaticContact CG-CE1 3.89Å; F291-F373 HydrophobicContact CG-CE1 3.89Å; F291-F373 AromaticContact CG-CZ 3.79Å; F291-F373 HydrophobicContact CG-CZ 3.79Å; F291-F373 HydrophobicContact CZ-CZ 4.02Å; F291-L395 HydrophobicContact CE2-CD1 4.01Å; F291-L395 HydrophobicContact CE2-CD2 4.05Å; F291-L395 HydrophobicContact CZ-CD1 3.86Å
292	P	92.6	Very high	75.6	Confident	78 Å²	78	68.5 Å²	68.5	51%	0.506	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	134.2	178.5	-24.2	35	0	0	0	111.4	Q317	P292-Q317 WeakPolarHBondContact CA-O 3.42Å
293	A	89.2	Confident	73.4	Confident	19 Å²	19	69.2 Å²	69.2	16%	0.157	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-62.3	132.3	170.9	0	0	0	0	0	108.8	F291 E295 Q317 W319	F291-A293 PolarHBondContact O-N 2.87Å; A293-E295 PolarHBondContact O-N 2.79Å; A293-Q317 PolarHBondContact N-O 3.1Å; A293-W319 HydrophobicContact CB-CD2 4.23Å; A293-W319 HydrophobicContact CB-CG 4.08Å
294	P	83.4	Confident	71.1	Confident	47 Å²	47	74.3 Å²	74.3	31%	0.305	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-57.1	137.5	175.7	-23.7	32.7	0	0	0	111.2	F296 W319 L395	P294-F296 PolarHBondContact O-N 3.48Å; P294-F296 VanDerWaalsContact O-N 3.16Å; P294-W319 HydrophobicContact CG-CE3 4.45Å; P294-W319 HydrophobicContact CG-CH2 4.31Å; P294-W319 HydrophobicContact CG-CZ3 4.01Å; P294-L395 HydrophobicContact CG-CD2 3.49Å; P294-L395 VanDerWaalsContact CG-CD2 3.49Å
295	E	69.8	Low	68.1	Low	183 Å²	183	84 Å²	84	86%	0.855	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-59.9	119.3	174.7	-71.1	-174.7	175.1	0	0	109.8	A293 V297	A293-E295 PolarHBondContact O-N 2.79Å; E295-V297 PolarHBondContact O-N 2.76Å; E295-V297 VanDerWaalsContact O-N 3.08Å
296	F	52.3	Low	65.1	Low	163 Å²	163	88.8 Å²	88.8	72%	0.715	50%	0.504	S	S	*	.			trans	-78.4	93.3	173.9	-149	-87.8	0	0	0	107.7	P294 P298 L311	P294-F296 PolarHBondContact O-N 3.48Å; P294-F296 VanDerWaalsContact O-N 3.16Å; F296-P298 WeakPolarHBondContact O-CD 3.32Å; F296-L311 HydrophobicContact CE1-CD2 4.19Å; F296-L311 HydrophobicContact CZ-CD2 4.14Å
297	V	41.3	Very low	62.1	Low	112 Å²	112	94.5 Å²	94.5	68%	0.679	54%	0.542	S	S	*	.			trans	-75	111.3	168.6	-174.4	0	0	0	0	106.9	E295 N299	E295-V297 PolarHBondContact O-N 2.76Å; E295-V297 VanDerWaalsContact O-N 3.08Å; V297-N299 PolarHBondContact O-N 3.36Å; V297-N299 VanDerWaalsContact O-N 3.1Å
298	P	40.5	Very low	59	Low	95 Å²	95	98.4 Å²	98.4	62%	0.617	58%	0.582	S	S	*	*			trans	-63.9	117.2	173	-11.2	27.7	0	0	0	107.1	F296 D300	F296-P298 WeakPolarHBondContact O-CD 3.32Å; P298-D300 PolarHBondContact O-N 3.02Å
299	N	34.8	Very low	56	Low	128 Å²	128	104.5 Å²	104.5	68%	0.684	62%	0.62	S	S	*	*			trans	-75.4	112.5	170.7	-130.1	11.6	0	0	0	106.7	V297 D301 A302	V297-N299 PolarHBondContact O-N 3.36Å; V297-N299 VanDerWaalsContact O-N 3.1Å; N299-D301 PolarHBondContact O-N 3.42Å; N299-A302 PolarHBondContact O-N 3.03Å
300	D	43.1	Very low	53	Low	161 Å²	161	108 Å²	108	86%	0.861	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	-6.3	-179.8	-84.5	-29.2	0	0	0	113.8	P298	P298-D300 PolarHBondContact O-N 3.02Å
301	D	43.1	Very low	50.3	Low	153 Å²	153	114 Å²	114	82%	0.818	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	6.4	-177	-71.3	-34.9	0	0	0	115.3	N299	N299-D301 PolarHBondContact O-N 3.42Å
302	A	42.6	Very low	47.9	Very low	81 Å²	81	120 Å²	120	67%	0.669	70%	0.703	S	S	*	*			trans	-110.9	52.6	-176.7	0	0	0	0	0	113.9	N299 S304	N299-A302 PolarHBondContact O-N 3.03Å; A302-S304 PolarHBondContact O-N 3.13Å
303	E	40.6	Very low	45.9	Very low	183 Å²	183	120.9 Å²	120.9	86%	0.855	71%	0.711	S	S	*	*			trans	-64.8	128.5	154.1	-84.5	-168.2	155.6	0	0	109.7
304	S	44	Very low	44.5	Very low	108 Å²	108	122.8 Å²	122.8	76%	0.755	72%	0.722	S	S	*	*	S	Bend	trans	79.4	87.1	166.1	81	0	0	0	0	118.5	A302	A302-S304 PolarHBondContact O-N 3.13Å
305	K	33.3	Very low	43.9	Very low	203 Å²	203	123.7 Å²	123.7	88%	0.883	73%	0.725	S	S	*	*				172.7	80.2	116.8	-91.7	168.9	-172	176.2	0	109.7	C307	K305-C307 PolarHBondContact O-N 3.34Å; K305-C307 VanDerWaalsContact O-N 3.13Å
306	A	34.3	Very low	44.4	Very low	102 Å²	102	115 Å²	115	84%	0.843	68%	0.684	S	S	*	*			trans	-65.1	110.5	175	0	0	0	0	0	110.8	G308	A306-G308 PolarHBondContact O-N 3Å
307	C	33.6	Very low	46.2	Very low	119 Å²	119	112.1 Å²	112.1	80%	0.804	67%	0.673	S	S	*	*			trans	-81.7	91.4	155.8	-175	0	0	0	0	107.6	K305 T309	K305-C307 PolarHBondContact O-N 3.34Å; K305-C307 VanDerWaalsContact O-N 3.13Å; C307-T309 VanDerWaalsContact C-N 3.29Å; C307-T309 PolarHBondContact O-N 2.92Å
308	G	32.9	Very low	48.7	Very low	82 Å²	82	107.4 Å²	107.4	85%	0.845	64%	0.644	S	S	*	*	S	Bend	trans	52.8	-0.9	143.4	0	0	0	0	0	123.5	A306	A306-G308 PolarHBondContact O-N 3Å
309	T	36.8	Very low	51.3	Low	128 Å²	128	104.2 Å²	104.2	79%	0.785	62%	0.62	S	S	*	*			trans	-109	114.5	171.6	48	0	0	0	0	108.9	C307 L311	C307-T309 VanDerWaalsContact C-N 3.29Å; C307-T309 PolarHBondContact O-N 2.92Å; T309-L311 PolarHBondContact O-N 3.45Å
310	S	34.6	Very low	54.2	Low	96 Å²	96	98.1 Å²	98.1	67%	0.671	59%	0.587	S	S	*	*			trans	-49.4	124.8	-179.2	-162.2	0	0	0	0	111.2	L312	S310-L312 PolarHBondContact O-N 3.37Å; S310-L312 WeakPolarHBondContact OG-CG 3.23Å
311	L	39.5	Very low	56.8	Low	150 Å²	150	90.5 Å²	90.5	79%	0.785	55%	0.546	S	S	*	.			trans	-70.7	60.7	167.9	-72.1	162.3	0	0	0	109.7	F296 T309	F296-L311 HydrophobicContact CE1-CD2 4.19Å; F296-L311 HydrophobicContact CZ-CD2 4.14Å; T309-L311 PolarHBondContact O-N 3.45Å
312	L	44.6	Very low	59.4	Low	129 Å²	129	83.2 Å²	83.2	68%	0.675	51%	0.507	S	S	*	.			trans	-83.5	132.6	167.5	-71.8	164.2	0	0	0	107.4	S310	S310-L312 PolarHBondContact O-N 3.37Å; S310-L312 WeakPolarHBondContact OG-CG 3.23Å
313	S	50.3	Low	62.1	Low	96 Å²	96	79.3 Å²	79.3	67%	0.671	48%	0.475	S	S	*	.			trans	-42.3	133.7	162.6	178.6	0	0	0	0	108.4	D315	S313-D315 PolarHBondContact O-N 3.42Å; S313-D315 VanDerWaalsContact O-N 3.13Å
314	P	58.6	Low	64.8	Low	60 Å²	60	70.6 Å²	70.6	39%	0.39	44%	0.435	S	S	.	.			trans	-58.2	126.1	178.8	25.2	-32.4	0	0	0	108.5	T316	P314-T316 WeakPolarHBondContact CB-O 3.17Å; P314-T316 PolarHBondContact O-N 3.32Å
315	D	71.2	Confident	67.4	Low	66 Å²	66	65.5 Å²	65.5	35%	0.353	40%	0.399	S	S	.	.	S	Bend	trans	-63.7	-11.6	179	-69.2	-41.9	0	0	0	112.1	H239 S313 H344	H239-D315 PolarHBondContact N-O 2.96Å; H239-D315 PolarHBondContact ND1-O 3.25Å; S313-D315 PolarHBondContact O-N 3.42Å; S313-D315 VanDerWaalsContact O-N 3.13Å; D315-H344 IonicContact OD2-CD2 3.93Å; D315-H344 IonicContact OD2-CE1 2.8Å; D315-H344 IonicContact OD2-NE2 2.62Å; D315-H344 PolarHBondContact OD2-NE2 2.95Å
316	T	80.7	Confident	70.3	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.006	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-135.3	148.7	-178.6	63.6	0	0	0	0	111.8	I236 I237 P314 T318 P342 L343	I236-T316 HydrophobicContact CG2-CG2 3.82Å; I237-T316 CarbonylContact O-C 3.57Å; I237-T316 WeakPolarHBondContact O-CA 3.41Å; I237-T316 WeakPolarHBondContact O-CB 3.37Å; P314-T316 WeakPolarHBondContact CB-O 3.17Å; P314-T316 PolarHBondContact O-N 3.32Å; T316-T318 WeakPolarHBondContact CB-O 3.4Å; T316-T318 PolarHBondContact OG1-O 2.85Å; T316-P342 HydrophobicContact CG2-CG 4.13Å; T316-P342 WeakPolarHBondContact OG1-CD 3.5Å; T316-L343 HydrophobicContact CG2-CB 4.4Å; T316-L343 HydrophobicContact CG2-CD1 3.66Å; T316-L343 HydrophobicContact CG2-CG 3.68Å
317	Q	90	Very high	73.2	Confident	101 Å²	101	53.6 Å²	53.6	47%	0.472	33%	0.334	S	S	.	.	S	Bend	trans	-82.7	-6.8	169.5	-61.4	175.8	53	0	0	111.9	I237 D238 P292 A293	I237-Q317 HydrophobicContact CB-CB 4.3Å; I237-Q317 HydrophobicContact CG2-CB 4.26Å; I237-Q317 PolarHBondContact O-N 3.16Å; D238-Q317 PolarHBondContact O-NE2 3.39Å; P292-Q317 WeakPolarHBondContact CA-O 3.42Å; A293-Q317 PolarHBondContact N-O 3.1Å
318	T	93.8	Very high	76	Confident	13 Å²	13	55 Å²	55	8%	0.08	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.5	-178.6	-51.4	0	0	0	0	110.9	E235 I237 F291 T316 P342	E235-T318 WeakPolarHBondContact O-CG2 3.28Å; I237-T318 PolarHBondContact N-OG1 2.81Å; I237-T318 PolarHBondContact O-N 3.13Å; F291-T318 WeakPolarHBondContact O-CA 3.28Å; F291-T318 WeakPolarHBondContact O-CG2 3.41Å; T316-T318 WeakPolarHBondContact CB-O 3.4Å; T316-T318 PolarHBondContact OG1-O 2.85Å; T318-P342 WeakPolarHBondContact O-CG 3.39Å
319	W	94.8	Very high	78.7	Confident	29 Å²	29	55.5 Å²	55.5	11%	0.11	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	159.6	165.9	-70.3	0.9	0	0	0	110	G290 F291 A293 P294 L338 N339 R340 L395 M399	G290-W319 WeakPolarHBondContact CA-O 3.27Å; F291-W319 HydrophobicContact CD1-CB 4.41Å; F291-W319 VanDerWaalsContact CD1-O 3.32Å; F291-W319 WeakPolarHBondContact CD1-O 3.09Å; F291-W319 HydrophobicContact CE1-CB 3.72Å; F291-W319 HydrophobicContact CE2-CB 3.94Å; F291-W319 HydrophobicContact CE2-CE3 4.09Å; F291-W319 HydrophobicContact CZ-CB 3.48Å; F291-W319 VanDerWaalsContact CZ-CB 3.48Å; F291-W319 HydrophobicContact CZ-CE3 4.02Å; F291-W319 HydrophobicContact CZ-CG 4.42Å; F291-W319 PolarHBondContact N-O 2.88Å; F291-W319 PolarHBondContact O-N 3.04Å; A293-W319 HydrophobicContact CB-CD2 4.23Å; A293-W319 HydrophobicContact CB-CG 4.08Å; P294-W319 HydrophobicContact CG-CE3 4.45Å; P294-W319 HydrophobicContact CG-CH2 4.31Å; P294-W319 HydrophobicContact CG-CZ3 4.01Å; W319-L338 HydrophobicContact CB-CD1 4.43Å; W319-L338 HydrophobicContact CE3-CD1 4.04Å; W319-N339 WeakPolarHBondContact CA-O 3.4Å; W319-R340 HydrophobicContact CD2-CB 4.12Å; W319-R340 HydrophobicContact CD2-CG 3.84Å; W319-R340 HydrophobicContact CE3-CG 3.97Å; W319-R340 HydrophobicContact CG-CB 4.41Å; W319-R340 HydrophobicContact CG-CG 4.48Å; W319-R340 HydrophobicContact CH2-CG 4.03Å; W319-R340 HydrophobicContact CZ2-CB 4.1Å; W319-R340 HydrophobicContact CZ2-CG 3.88Å; W319-R340 HydrophobicContact CZ3-CG 4.06Å; W319-R340 PolarHBondContact NE1-O 3.34Å; W319-L395 HydrophobicContact CZ3-CD2 4.25Å; W319-M399 HydrophobicContact CZ3-SD 4.33Å
320	L	96.8	Very high	81.4	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.7	177.8	-63.5	-176.6	0	0	0	111.5	A234 I236 Y246 I288 I289 N339 P342 W348	A234-L320 HydrophobicContact CB-CD2 3.79Å; I236-L320 HydrophobicContact CD1-CD1 4.14Å; I236-L320 HydrophobicContact CG1-CD1 4.32Å; I236-L320 HydrophobicContact CG1-CD2 4.08Å; I236-L320 HydrophobicContact CG1-CG 4.35Å; Y246-L320 HydrophobicContact CD1-CD1 3.65Å; Y246-L320 HydrophobicContact CD2-CD1 4.31Å; Y246-L320 HydrophobicContact CE1-CD1 3.76Å; Y246-L320 HydrophobicContact CE2-CD1 4.43Å; Y246-L320 HydrophobicContact CG-CD1 3.91Å; I288-L320 HydrophobicContact CD1-CB 4.16Å; I288-L320 HydrophobicContact CD1-CD1 4.37Å; I289-L320 WeakPolarHBondContact O-CA 3.3Å; L320-N339 HydrophobicContact CB-CB 4.29Å; L320-N339 PolarHBondContact N-O 2.83Å; L320-N339 PolarHBondContact O-N 3.39Å; L320-P342 HydrophobicContact CB-CB 4.44Å; L320-P342 HydrophobicContact CD1-CB 3.47Å; L320-P342 VanDerWaalsContact CD1-CB 3.47Å; L320-P342 HydrophobicContact CD1-CG 4.47Å; L320-P342 HydrophobicContact CG-CB 3.61Å; L320-P342 HydrophobicContact CG-CG 4.15Å; L320-W348 HydrophobicContact CB-CH2 3.8Å; L320-W348 HydrophobicContact CB-CZ3 4.47Å; L320-W348 HydrophobicContact CD1-CH2 4.45Å; L320-W348 HydrophobicContact CD1-CZ2 4.4Å
321	L	97.4	Very high	84.3	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136.3	161.5	-74.6	-170.9	0	0	0	110.2	I288 I289 F291 V336 Y337 L338 L364 F373 F393 V398	I288-L321 WeakPolarHBondContact CA-O 3.12Å; I288-L321 WeakPolarHBondContact CD1-O 3.41Å; I289-L321 HydrophobicContact CG2-CB 4.07Å; I289-L321 PolarHBondContact N-O 3.09Å; I289-L321 PolarHBondContact O-N 2.92Å; F291-L321 HydrophobicContact CD1-CG 4.32Å; F291-L321 HydrophobicContact CE1-CB 4.38Å; F291-L321 HydrophobicContact CE1-CD1 4.49Å; F291-L321 HydrophobicContact CE1-CD2 4.28Å; F291-L321 HydrophobicContact CE1-CG 3.64Å; F291-L321 HydrophobicContact CZ-CG 4.28Å; L321-V336 HydrophobicContact CD1-CG1 4.11Å; L321-V336 HydrophobicContact CD2-CG1 3.92Å; L321-V336 HydrophobicContact CG-CG1 4.42Å; L321-Y337 WeakPolarHBondContact CA-O 3.32Å; L321-Y337 WeakPolarHBondContact CD2-O 3.44Å; L321-L338 HydrophobicContact CD2-CB 3.91Å; L321-L338 HydrophobicContact CD2-CD1 3.68Å; L321-L338 HydrophobicContact CD2-CG 4.36Å; L321-L364 HydrophobicContact CB-CD1 4.21Å; L321-F373 HydrophobicContact CD1-CD1 3.5Å; L321-F373 HydrophobicContact CD1-CD2 3.76Å; L321-F373 HydrophobicContact CD1-CE1 3.47Å; L321-F373 VanDerWaalsContact CD1-CE1 3.47Å; L321-F373 HydrophobicContact CD1-CE2 3.75Å; L321-F373 HydrophobicContact CD1-CG 3.64Å; L321-F373 HydrophobicContact CD1-CZ 3.6Å; L321-F373 HydrophobicContact CG-CE1 4.2Å; L321-F373 HydrophobicContact CG-CZ 4.29Å; L321-F393 HydrophobicContact CD1-CE2 4.04Å; L321-F393 HydrophobicContact CD1-CZ 4.46Å; L321-V398 HydrophobicContact CD2-CG1 4.25Å
322	F	98.1	Very high	87.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.5	171.9	178.6	-116.1	0	0	0	110.3	N248 R256 L277 S287 I288 H324 V336 Y337 W348	N248-F322 VanDerWaalsContact OD1-CE2 3.26Å; N248-F322 WeakPolarHBondContact OD1-CE2 3.39Å; R256-F322 HydrophobicContact CG-CE1 4.2Å; R256-F322 HydrophobicContact CG-CZ 3.96Å; L277-F322 HydrophobicContact CB-CE1 4.39Å; L277-F322 HydrophobicContact CD1-CD1 3.75Å; L277-F322 HydrophobicContact CD1-CE1 3.9Å; L277-F322 HydrophobicContact CD1-CG 4.2Å; L277-F322 HydrophobicContact CD1-CZ 4.5Å; L277-F322 HydrophobicContact CD2-CD1 3.74Å; L277-F322 HydrophobicContact CD2-CE1 4.16Å; L277-F322 HydrophobicContact CG-CD1 4.29Å; L277-F322 HydrophobicContact CG-CE1 4.4Å; S287-F322 CarbonylContact O-C 3.53Å; S287-F322 VanDerWaalsContact O-CA 3.27Å; S287-F322 WeakPolarHBondContact O-CA 3.34Å; S287-F322 WeakPolarHBondContact O-CD2 3.21Å; I288-F322 HydrophobicContact CB-CD2 4.44Å; I288-F322 HydrophobicContact CD1-CB 3.7Å; I288-F322 HydrophobicContact CD1-CD2 4.17Å; I288-F322 HydrophobicContact CD1-CG 4.39Å; F322-H324 HydrophobicContact CD1-CB 4.03Å; F322-H324 HydrophobicContact CE1-CB 3.24Å; F322-H324 AromaticContact CE1-CG 3.8Å; F322-H324 HydrophobicContact CE2-CB 4.25Å; F322-H324 HydrophobicContact CZ-CB 3.38Å; F322-H324 AromaticContact CZ-CD2 3.98Å; F322-H324 AromaticContact CZ-CG 3.74Å; F322-V336 CarbonylContact O-C 3.53Å; F322-V336 WeakPolarHBondContact O-CA 3.27Å; F322-Y337 AromaticContact CD1-CD2 3.75Å; F322-Y337 HydrophobicContact CD1-CD2 3.75Å; F322-Y337 HydrophobicContact CD1-CE2 4.19Å; F322-Y337 HydrophobicContact CD1-CG 4.33Å; F322-Y337 HydrophobicContact CE1-CD2 4.49Å; F322-Y337 PolarHBondContact N-O 2.87Å; F322-Y337 PolarHBondContact O-N 2.78Å; F322-W348 HydrophobicContact CB-CE3 4.33Å; F322-W348 HydrophobicContact CB-CH2 3.5Å; F322-W348 HydrophobicContact CB-CZ2 4.24Å; F322-W348 HydrophobicContact CB-CZ3 3.54Å
323	M	97.9	Very high	89.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.1	178.1	-178.7	174.4	167.7	0	0	110.8	G286 S287 M334 G335 V336 I354 S362 L364 C375 M377	G286-M323 CarbonylContact C-O 3.56Å; G286-M323 VanDerWaalsContact CA-O 3.29Å; G286-M323 WeakPolarHBondContact CA-O 3.31Å; S287-M323 PolarHBondContact N-O 2.84Å; S287-M323 PolarHBondContact O-N 2.98Å; M323-M334 HydrophobicContact CE-CE 4.15Å; M323-M334 HydrophobicContact CE-CG 3.3Å; M323-M334 HydrophobicContact CE-SD 3.7Å; M323-M334 HydrophobicContact CG-CG 4.04Å; M323-M334 HydrophobicContact CG-SD 3.53Å; M323-M334 VanDerWaalsContact CG-SD 3.53Å; M323-M334 HydrophobicContact SD-CG 4.48Å; M323-M334 HydrophobicContact SD-SD 4.48Å; M323-G335 WeakPolarHBondContact CA-O 3.27Å; M323-V336 HydrophobicContact CG-CG2 4.44Å; M323-I354 HydrophobicContact CE-CD1 3.65Å; M323-I354 HydrophobicContact SD-CD1 4.03Å; M323-S362 PolarHBondContact O-OG 3.28Å; M323-L364 HydrophobicContact CB-CD1 3.71Å; M323-L364 HydrophobicContact CB-CD2 4.21Å; M323-L364 HydrophobicContact CB-CG 3.88Å; M323-L364 HydrophobicContact SD-CD2 3.96Å; M323-L364 HydrophobicContact SD-CG 4.24Å; M323-C375 HydrophobicContact CE-CB 3.9Å; M323-C375 VanDerWaalsContact CE-SG 3.5Å; M323-C375 HydrophobicContact SD-CB 3.46Å; M323-C375 WeakPolarHBondContact SD-CB 3.44Å; M323-C375 VanDerWaalsContact SD-SG 3.65Å; M323-M377 HydrophobicContact CE-CB 3.74Å; M323-M377 HydrophobicContact CE-CG 4.28Å; M323-M377 HydrophobicContact CE-SD 4.1Å
324	H	97.9	Very high	91.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	153.2	-174.4	-179.2	-93.4	0	0	0	112.9	V278 E279 Q285 F322 T326 M334 G335	V278-H324 PolarHBondContact O-CE1 2.6Å; V278-H324 PolarHBondContact O-ND1 2.93Å; E279-H324 IonicContact OE1-CE1 2.68Å; E279-H324 PolarHBondContact OE1-CE1 2.98Å; E279-H324 VanDerWaalsContact OE1-CE1 3.32Å; E279-H324 IonicContact OE1-NE2 3.32Å; E279-H324 PolarHBondContact OE1-NE2 3.08Å; E279-H324 IonicContact OE2-CD2 3.65Å; E279-H324 IonicContact OE2-CE1 2.84Å; E279-H324 IonicContact OE2-NE2 3.85Å; E279-H324 PolarHBondContact OE2-NE2 2.92Å; Q285-H324 PolarHBondContact O-CD2 3.14Å; F322-H324 HydrophobicContact CD1-CB 4.03Å; F322-H324 HydrophobicContact CE1-CB 3.24Å; F322-H324 AromaticContact CE1-CG 3.8Å; F322-H324 HydrophobicContact CE2-CB 4.25Å; F322-H324 HydrophobicContact CZ-CB 3.38Å; F322-H324 AromaticContact CZ-CD2 3.98Å; F322-H324 AromaticContact CZ-CG 3.74Å; H324-T326 PolarHBondContact O-N 2.59Å; H324-M334 VanDerWaalsContact C-SD 3.51Å; H324-G335 PolarHBondContact N-O 2.81Å; H324-G335 PolarHBondContact O-N 2.69Å; H324-G335 VanDerWaalsContact O-N 3.08Å
325	P	97.4	Very high	93.7	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	121.3	171.7	-25.7	35.8	0	0	0	114	S327 M334 S359	P325-S327 VanDerWaalsContact C-N 3.33Å; P325-S327 PolarHBondContact O-N 2.85Å; P325-M334 HydrophobicContact CG-CE 4.15Å; P325-S359 WeakPolarHBondContact CG-O 3.27Å
326	T	96.2	Very high	94.9	Very high	31 Å²	31	37.9 Å²	37.9	19%	0.19	18%	0.176	C	C	.	.			trans	-81.2	-5	-168.7	60.3	0	0	0	0	115.4	V278 H324 R332 D333 Y337 P351 I353	V278-T326 VanDerWaalsContact CG2-O 3.31Å; V278-T326 WeakPolarHBondContact CG2-O 3.33Å; H324-T326 PolarHBondContact O-N 2.59Å; T326-R332 PolarHBondContact N-O 3.46Å; T326-D333 WeakPolarHBondContact CB-O 3.45Å; T326-D333 WeakPolarHBondContact CG2-O 3.27Å; T326-D333 PolarHBondContact N-O 2.83Å; T326-D333 WeakPolarHBondContact OG1-CB 3.45Å; T326-D333 PolarHBondContact OG1-O 3.13Å; T326-Y337 HydrophobicContact CG2-CE2 4.09Å; T326-Y337 WeakPolarHBondContact CG2-OH 3.43Å; T326-P351 HydrophobicContact CG2-CB 3.81Å; T326-P351 HydrophobicContact CG2-CG 3.62Å; T326-I353 HydrophobicContact CG2-CD1 3.64Å
327	S	93.9	Very high	95.7	Very high	24 Å²	24	38.1 Å²	38.1	17%	0.168	18%	0.177	C	C	.	.			trans	-87.9	131.5	-178.8	177.2	0	0	0	0	113	P325 S329 R330	P325-S327 VanDerWaalsContact C-N 3.33Å; P325-S327 PolarHBondContact O-N 2.85Å; S327-S329 PolarHBondContact O-N 2.99Å; S327-S329 PolarHBondContact OG-N 2.66Å; S327-R330 VanDerWaalsContact CB-O 3.29Å; S327-R330 WeakPolarHBondContact CB-O 3.25Å; S327-R330 PolarHBondContact OG-N 2.95Å
328	K	92.3	Very high	96	Very high	150 Å²	150	33.5 Å²	33.5	65%	0.652	16%	0.155	S	C	*	.	S	Bend	trans	-63.7	-19.2	176.9	-62.7	-175.2	177.8	-175.7	0	114.6	V278	V278-K328 HydrophobicContact CB-CG 3.97Å; V278-K328 HydrophobicContact CG1-CD 4.37Å; V278-K328 HydrophobicContact CG1-CG 3.97Å; V278-K328 HydrophobicContact CG2-CG 4.35Å
329	S	90.3	Very high	96.1	Very high	91 Å²	91	33 Å²	33	64%	0.636	15%	0.152	S	C	*	.	S	Bend	trans	-120.1	-23	-169.4	63	0	0	0	0	114.4	S327	S327-S329 PolarHBondContact O-N 2.99Å; S327-S329 PolarHBondContact OG-N 2.66Å
330	R	93.5	Very high	96	Very high	173 Å²	173	35.2 Å²	35.2	65%	0.653	16%	0.161	S	C	*	.	S	Bend	trans	-141.8	154.2	-175.2	-63.4	-174.8	-176.7	-172.2	1.2	110.6	S327 R332	S327-R330 VanDerWaalsContact CB-O 3.29Å; S327-R330 WeakPolarHBondContact CB-O 3.25Å; S327-R330 PolarHBondContact OG-N 2.95Å; R330-R332 VanDerWaalsContact C-N 3.32Å; R330-R332 HydrophobicContact CB-CG 4.03Å; R330-R332 PolarHBondContact O-N 2.82Å
331	R	95.9	Very high	95.7	Very high	53 Å²	53	37 Å²	37	20%	0.2	17%	0.173	C	C	.	.	S	Bend	trans	-74.2	83.9	171	-78.7	-173.5	-173.8	-178.9	-2.4	109.8	T280 G283 C284 S359	T280-R331 HydrophobicContact CG2-CG 4.49Å; G283-R331 PolarHBondContact O-NE 3.05Å; G283-R331 PolarHBondContact O-NH2 2.75Å; C284-R331 HydrophobicContact CB-CG 4.32Å; R331-S359 CarbonylContact C-O 3.4Å; R331-S359 WeakPolarHBondContact CA-O 3.26Å; R331-S359 WeakPolarHBondContact CB-O 3.27Å; R331-S359 PolarHBondContact O-N 3.14Å
332	R	96.7	Very high	95.4	Very high	101 Å²	101	37.2 Å²	37.2	38%	0.381	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	159.7	-177.1	62.4	176.9	-69.5	152.8	10.2	112.1	T326 R330 G357	T326-R332 PolarHBondContact N-O 3.46Å; R330-R332 VanDerWaalsContact C-N 3.32Å; R330-R332 HydrophobicContact CB-CG 4.03Å; R330-R332 PolarHBondContact O-N 2.82Å; R332-G357 CarbonylContact C-O 3.49Å; R332-G357 WeakPolarHBondContact CA-O 3.2Å; R332-G357 VanDerWaalsContact CB-O 3.26Å; R332-G357 WeakPolarHBondContact CB-O 3.47Å
333	D	97.1	Very high	95.1	Very high	28 Å²	28	39.8 Å²	39.8	15%	0.15	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	59.2	80.7	176.2	-53.7	-46.6	0	0	0	110.4	T326 G335 I353 H355 R356 G357	T326-D333 WeakPolarHBondContact CB-O 3.45Å; T326-D333 WeakPolarHBondContact CG2-O 3.27Å; T326-D333 PolarHBondContact N-O 2.83Å; T326-D333 WeakPolarHBondContact OG1-CB 3.45Å; T326-D333 PolarHBondContact OG1-O 3.13Å; D333-G335 PolarHBondContact O-N 2.77Å; D333-I353 HydrophobicContact CB-CD1 4.37Å; D333-H355 CarbonylContact C-O 3.57Å; D333-H355 VanDerWaalsContact CA-O 3.27Å; D333-H355 WeakPolarHBondContact CA-O 3.47Å; D333-R356 WeakPolarHBondContact OD1-CA 3.35Å; D333-G357 PolarHBondContact N-O 3.03Å; D333-G357 PolarHBondContact OD1-N 3.35Å
334	M	97.9	Very high	94.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	119.4	179.5	-172.5	56.4	78.8	0	0	110.6	M323 H324 P325 I354 H355 S359 G360 M377	M323-M334 HydrophobicContact CE-CE 4.15Å; M323-M334 HydrophobicContact CE-CG 3.3Å; M323-M334 HydrophobicContact CE-SD 3.7Å; M323-M334 HydrophobicContact CG-CG 4.04Å; M323-M334 HydrophobicContact CG-SD 3.53Å; M323-M334 VanDerWaalsContact CG-SD 3.53Å; M323-M334 HydrophobicContact SD-CG 4.48Å; M323-M334 HydrophobicContact SD-SD 4.48Å; H324-M334 VanDerWaalsContact C-SD 3.51Å; P325-M334 HydrophobicContact CG-CE 4.15Å; M334-I354 HydrophobicContact CB-CG1 4.42Å; M334-I354 HydrophobicContact CG-CD1 4.28Å; M334-I354 HydrophobicContact CG-CG1 4.11Å; M334-I354 PolarHBondContact O-N 3.03Å; M334-H355 HydrophobicContact CB-CB 4.14Å; M334-H355 PolarHBondContact N-O 3.03Å; M334-H355 PolarHBondContact O-N 3.2Å; M334-S359 PolarHBondContact N-OG 2.79Å; M334-G360 WeakPolarHBondContact CE-O 3.31Å; M334-M377 HydrophobicContact CB-SD 3.99Å; M334-M377 HydrophobicContact CE-CB 4.1Å; M334-M377 HydrophobicContact CG-SD 3.85Å
335	G	97.2	Very high	93.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	151.6	-177.7	0	0	0	0	0	112.8	M323 H324 D333 R352	M323-G335 WeakPolarHBondContact CA-O 3.27Å; H324-G335 PolarHBondContact N-O 2.81Å; H324-G335 PolarHBondContact O-N 2.69Å; H324-G335 VanDerWaalsContact O-N 3.08Å; D333-G335 PolarHBondContact O-N 2.77Å; G335-R352 CarbonylContact C-O 3.55Å; G335-R352 VanDerWaalsContact CA-O 3.29Å; G335-R352 WeakPolarHBondContact CA-O 3.29Å
336	V	97.7	Very high	91.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	118.8	174	-177.6	0	0	0	0	108.3	L321 F322 M323 P351 R352 I354 F393 V398	L321-V336 HydrophobicContact CD1-CG1 4.11Å; L321-V336 HydrophobicContact CD2-CG1 3.92Å; L321-V336 HydrophobicContact CG-CG1 4.42Å; F322-V336 CarbonylContact O-C 3.53Å; F322-V336 WeakPolarHBondContact O-CA 3.27Å; M323-V336 HydrophobicContact CG-CG2 4.44Å; V336-P351 CarbonylContact O-C 3.51Å; V336-P351 VanDerWaalsContact O-CA 3.26Å; V336-P351 WeakPolarHBondContact O-CA 3.41Å; V336-R352 PolarHBondContact N-O 3.32Å; V336-R352 PolarHBondContact O-N 3.23Å; V336-I354 HydrophobicContact CG2-CD1 3.66Å; V336-I354 HydrophobicContact CG2-CG1 4.05Å; V336-I354 HydrophobicContact CG2-CG2 3.94Å; V336-F393 HydrophobicContact CG1-CE2 4.01Å; V336-F393 HydrophobicContact CG1-CZ 4.07Å; V336-F393 HydrophobicContact CG2-CE1 4.17Å; V336-F393 HydrophobicContact CG2-CE2 4.24Å; V336-F393 HydrophobicContact CG2-CZ 3.77Å; V336-V398 HydrophobicContact CB-CG2 4.45Å; V336-V398 HydrophobicContact CG1-CG1 4.16Å; V336-V398 HydrophobicContact CG1-CG2 3.92Å
337	Y	97	Very high	91.2	Very high	7 Å²	7	51.1 Å²	51.1	3%	0.027	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	142.5	176.6	-56.9	-108.3	0	0	0	109	L277 L321 F322 T326 D349 P351	L277-Y337 HydrophobicContact CD2-CD1 3.69Å; L277-Y337 HydrophobicContact CD2-CD2 4.34Å; L277-Y337 HydrophobicContact CD2-CE1 3.99Å; L277-Y337 HydrophobicContact CD2-CG 3.88Å; L321-Y337 WeakPolarHBondContact CA-O 3.32Å; L321-Y337 WeakPolarHBondContact CD2-O 3.44Å; F322-Y337 AromaticContact CD1-CD2 3.75Å; F322-Y337 HydrophobicContact CD1-CD2 3.75Å; F322-Y337 HydrophobicContact CD1-CE2 4.19Å; F322-Y337 HydrophobicContact CD1-CG 4.33Å; F322-Y337 HydrophobicContact CE1-CD2 4.49Å; F322-Y337 PolarHBondContact N-O 2.87Å; F322-Y337 PolarHBondContact O-N 2.78Å; T326-Y337 HydrophobicContact CG2-CE2 4.09Å; T326-Y337 WeakPolarHBondContact CG2-OH 3.43Å; Y337-D349 WeakPolarHBondContact CD1-O 3.2Å; Y337-P351 HydrophobicContact CD1-CB 3.81Å; Y337-P351 HydrophobicContact CD1-CG 4.12Å; Y337-P351 HydrophobicContact CD2-CB 3.89Å; Y337-P351 HydrophobicContact CE1-CB 3.67Å; Y337-P351 HydrophobicContact CE1-CG 3.56Å; Y337-P351 HydrophobicContact CE2-CB 3.75Å; Y337-P351 HydrophobicContact CE2-CG 4.24Å; Y337-P351 HydrophobicContact CG-CB 3.92Å
338	L	96.4	Very high	91.2	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.016	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.1	177.1	174.1	60.9	0	0	0	109.6	F291 W319 L321 R340 D349 L395 V398 M399	F291-L338 HydrophobicContact CE1-CD1 4.23Å; F291-L338 HydrophobicContact CZ-CD1 3.8Å; W319-L338 HydrophobicContact CB-CD1 4.43Å; W319-L338 HydrophobicContact CE3-CD1 4.04Å; L321-L338 HydrophobicContact CD2-CB 3.91Å; L321-L338 HydrophobicContact CD2-CD1 3.68Å; L321-L338 HydrophobicContact CD2-CG 4.36Å; L338-R340 HydrophobicContact CD2-CG 4.32Å; L338-R340 VanDerWaalsContact CD2-NH2 3.33Å; L338-R340 HydrophobicContact CG-CG 4.18Å; L338-D349 WeakPolarHBondContact O-CB 3.35Å; L338-D349 PolarHBondContact O-N 2.81Å; L338-L395 HydrophobicContact CD1-CD1 4.34Å; L338-L395 HydrophobicContact CD2-CD1 4.26Å; L338-V398 HydrophobicContact CB-CG1 3.98Å; L338-M399 HydrophobicContact CD2-CG 3.85Å
339	N	95.3	Very high	91.2	Very high	3 Å²	3	46 Å²	46	2%	0.016	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	114.7	171.7	-174.4	-20.7	0	0	0	110	W319 L320 S341 P342 G347 W348	W319-N339 WeakPolarHBondContact CA-O 3.4Å; L320-N339 HydrophobicContact CB-CB 4.29Å; L320-N339 PolarHBondContact N-O 2.83Å; L320-N339 PolarHBondContact O-N 3.39Å; N339-S341 PolarHBondContact OD1-N 2.81Å; N339-S341 PolarHBondContact OD1-O 3.36Å; N339-P342 WeakPolarHBondContact OD1-CA 3.26Å; N339-P342 VanDerWaalsContact OD1-N 3.15Å; N339-G347 WeakPolarHBondContact CA-O 3.2Å; N339-G347 VanDerWaalsContact CG-C 3.47Å; N339-G347 WeakPolarHBondContact OD1-CA 3.48Å; N339-G347 PolarHBondContact OD1-O 2.82Å; N339-W348 HydrophobicContact CB-CD2 3.74Å; N339-W348 HydrophobicContact CB-CE3 3.53Å; N339-W348 HydrophobicContact CB-CG 4.42Å; N339-W348 HydrophobicContact CB-CH2 3.86Å; N339-W348 HydrophobicContact CB-CZ2 4.08Å; N339-W348 HydrophobicContact CB-CZ3 3.61Å
340	R	92.6	Very high	91.4	Very high	75 Å²	75	52.2 Å²	52.2	28%	0.283	25%	0.245	S	C	.	.	S	Bend	trans	-91.5	-6.1	-178.7	-58.4	-174	-166.7	76.8	8.1	113.5	W319 L338 D349	W319-R340 HydrophobicContact CD2-CB 4.12Å; W319-R340 HydrophobicContact CD2-CG 3.84Å; W319-R340 HydrophobicContact CE3-CG 3.97Å; W319-R340 HydrophobicContact CG-CB 4.41Å; W319-R340 HydrophobicContact CG-CG 4.48Å; W319-R340 HydrophobicContact CH2-CG 4.03Å; W319-R340 HydrophobicContact CZ2-CB 4.1Å; W319-R340 HydrophobicContact CZ2-CG 3.88Å; W319-R340 HydrophobicContact CZ3-CG 4.06Å; W319-R340 PolarHBondContact NE1-O 3.34Å; L338-R340 HydrophobicContact CD2-CG 4.32Å; L338-R340 VanDerWaalsContact CD2-NH2 3.33Å; L338-R340 HydrophobicContact CG-CG 4.18Å; R340-D349 IonicContact CZ-OD2 3.03Å; R340-D349 VanDerWaalsContact NH1-CG 3.29Å; R340-D349 IonicContact NH1-OD1 3.64Å; R340-D349 PolarHBondContact NH1-OD1 2.72Å; R340-D349 IonicContact NH1-OD2 2.69Å; R340-D349 PolarHBondContact NH1-OD2 3.06Å; R340-D349 IonicContact NH2-OD2 3.96Å; R340-D349 PolarHBondContact NH2-OD2 3.04Å
341	S	91	Very high	91.4	Very high	38 Å²	38	45.8 Å²	45.8	27%	0.266	23%	0.226	S	C	.	.			trans	-141.8	59.3	-175.4	57.4	0	0	0	0	110.2	N339 L343 H344	N339-S341 PolarHBondContact OD1-N 2.81Å; N339-S341 PolarHBondContact OD1-O 3.36Å; S341-L343 PolarHBondContact O-N 2.91Å; S341-H344 WeakPolarHBondContact O-CB 3.37Å; S341-H344 PolarHBondContact O-N 2.57Å
342	P	92	Very high	91.4	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.032	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-6.7	-164.1	31.3	-39.5	0	0	0	115.6	I236 T316 T318 L320 N339 H344	I236-P342 HydrophobicContact CD1-CB 3.67Å; I236-P342 HydrophobicContact CD1-CG 3.93Å; I236-P342 HydrophobicContact CG1-CB 4.18Å; I236-P342 HydrophobicContact CG1-CG 4.02Å; I236-P342 HydrophobicContact CG2-CG 3.79Å; T316-P342 HydrophobicContact CG2-CG 4.13Å; T316-P342 WeakPolarHBondContact OG1-CD 3.5Å; T318-P342 WeakPolarHBondContact O-CG 3.39Å; L320-P342 HydrophobicContact CB-CB 4.44Å; L320-P342 HydrophobicContact CD1-CB 3.47Å; L320-P342 VanDerWaalsContact CD1-CB 3.47Å; L320-P342 HydrophobicContact CD1-CG 4.47Å; L320-P342 HydrophobicContact CG-CB 3.61Å; L320-P342 HydrophobicContact CG-CG 4.15Å; N339-P342 WeakPolarHBondContact OD1-CA 3.26Å; N339-P342 VanDerWaalsContact OD1-N 3.15Å; P342-H344 VanDerWaalsContact C-N 3.34Å
343	L	90.6	Very high	91.4	Very high	54 Å²	54	42.5 Å²	42.5	28%	0.283	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-8.7	169.3	-63.1	179.8	0	0	0	113.4	I236 D238 H244 L260 T316 S341	I236-L343 HydrophobicContact CD1-CD2 4.23Å; I236-L343 HydrophobicContact CG2-CD2 4.14Å; I236-L343 HydrophobicContact CG2-CG 4.23Å; D238-L343 HydrophobicContact CB-CD1 3.78Å; H244-L343 HydrophobicContact CB-CD2 4.21Å; L260-L343 HydrophobicContact CD1-CD2 4.05Å; L260-L343 HydrophobicContact CD2-CD2 4.23Å; T316-L343 HydrophobicContact CG2-CB 4.4Å; T316-L343 HydrophobicContact CG2-CD1 3.66Å; T316-L343 HydrophobicContact CG2-CG 3.68Å; S341-L343 PolarHBondContact O-N 2.91Å
344	H	84.4	Confident	91.3	Very high	95 Å²	95	41.4 Å²	41.4	44%	0.44	21%	0.21	S	C	.	.	S	Bend	trans	-99.2	139.2	176.4	-64.3	-88.3	0	0	0	111	D315 S341 P342 S346	D315-H344 IonicContact OD2-CD2 3.93Å; D315-H344 IonicContact OD2-CE1 2.8Å; D315-H344 IonicContact OD2-NE2 2.62Å; D315-H344 PolarHBondContact OD2-NE2 2.95Å; S341-H344 WeakPolarHBondContact O-CB 3.37Å; S341-H344 PolarHBondContact O-N 2.57Å; P342-H344 VanDerWaalsContact C-N 3.34Å; H344-S346 PolarHBondContact O-N 2.83Å
345	S	69.6	Low	91.2	Very high	82 Å²	82	41.9 Å²	41.9	57%	0.573	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	3.9	-172.5	58.9	0	0	0	0	115.9
346	S	68.9	Low	91.2	Very high	82 Å²	82	48.2 Å²	48.2	57%	0.573	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-145.5	41.2	-176.6	65.9	0	0	0	0	112.3	H344	H344-S346 PolarHBondContact O-N 2.83Å
347	G	84.8	Confident	91.2	Very high	9 Å²	9	49 Å²	49	9%	0.093	24%	0.244	C	C	.	.			trans	-90.8	-3	-172.6	0	0	0	0	0	116.1	N339	N339-G347 WeakPolarHBondContact CA-O 3.2Å; N339-G347 VanDerWaalsContact CG-C 3.47Å; N339-G347 WeakPolarHBondContact OD1-CA 3.48Å; N339-G347 PolarHBondContact OD1-O 2.82Å
348	W	94.1	Very high	91.2	Very high	17 Å²	17	49.7 Å²	49.7	6%	0.064	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-81.8	121.9	-173.2	-67.9	108.1	0	0	0	113.3	E258 E276 L277 I288 L320 F322 N339	E258-W348 PolarHBondContact OE1-NE1 3.49Å; E276-W348 HydrophobicContact CB-CB 3.79Å; E276-W348 HydrophobicContact CB-CG 4.49Å; E276-W348 HydrophobicContact CG-CB 4.31Å; L277-W348 HydrophobicContact CD1-CD2 4.22Å; L277-W348 HydrophobicContact CD1-CG 4.47Å; L277-W348 HydrophobicContact CD1-CZ2 4.14Å; L277-W348 HydrophobicContact CD2-CB 4.17Å; L277-W348 HydrophobicContact CD2-CD2 3.78Å; L277-W348 HydrophobicContact CD2-CE3 4.26Å; L277-W348 HydrophobicContact CD2-CG 3.72Å; L277-W348 HydrophobicContact CG-CD2 4.23Å; L277-W348 HydrophobicContact CG-CG 4.04Å; I288-W348 HydrophobicContact CD1-CH2 3.51Å; I288-W348 HydrophobicContact CD1-CZ2 4.03Å; L320-W348 HydrophobicContact CB-CH2 3.8Å; L320-W348 HydrophobicContact CB-CZ3 4.47Å; L320-W348 HydrophobicContact CD1-CH2 4.45Å; L320-W348 HydrophobicContact CD1-CZ2 4.4Å; F322-W348 HydrophobicContact CB-CE3 4.33Å; F322-W348 HydrophobicContact CB-CH2 3.5Å; F322-W348 HydrophobicContact CB-CZ2 4.24Å; F322-W348 HydrophobicContact CB-CZ3 3.54Å; N339-W348 HydrophobicContact CB-CD2 3.74Å; N339-W348 HydrophobicContact CB-CE3 3.53Å; N339-W348 HydrophobicContact CB-CG 4.42Å; N339-W348 HydrophobicContact CB-CH2 3.86Å; N339-W348 HydrophobicContact CB-CZ2 4.08Å; N339-W348 HydrophobicContact CB-CZ3 3.61Å
349	D	93.1	Very high	91.3	Very high	49 Å²	49	49.6 Å²	49.6	26%	0.262	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-68.7	165.1	169.7	-76	-10.7	0	0	0	112.3	Y337 L338 R340	Y337-D349 WeakPolarHBondContact CD1-O 3.2Å; L338-D349 WeakPolarHBondContact O-CB 3.35Å; L338-D349 PolarHBondContact O-N 2.81Å; R340-D349 IonicContact CZ-OD2 3.03Å; R340-D349 VanDerWaalsContact NH1-CG 3.29Å; R340-D349 IonicContact NH1-OD1 3.64Å; R340-D349 PolarHBondContact NH1-OD1 2.72Å; R340-D349 IonicContact NH1-OD2 2.69Å; R340-D349 PolarHBondContact NH1-OD2 3.06Å; R340-D349 IonicContact NH2-OD2 3.96Å; R340-D349 PolarHBondContact NH2-OD2 3.04Å
350	R	92.7	Very high	91.4	Very high	222 Å²	222	49.4 Å²	49.4	84%	0.838	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-60.9	140	167.5	-71.4	-177.1	177.4	151	1.5	110.4
351	P	95.1	Very high	91.7	Very high	39 Å²	39	46.5 Å²	46.5	25%	0.253	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-71.1	140.5	-175.4	27.8	-33.4	0	0	0	111.8	T326 V336 Y337	T326-P351 HydrophobicContact CG2-CB 3.81Å; T326-P351 HydrophobicContact CG2-CG 3.62Å; V336-P351 CarbonylContact O-C 3.51Å; V336-P351 VanDerWaalsContact O-CA 3.26Å; V336-P351 WeakPolarHBondContact O-CA 3.41Å; Y337-P351 HydrophobicContact CD1-CB 3.81Å; Y337-P351 HydrophobicContact CD1-CG 4.12Å; Y337-P351 HydrophobicContact CD2-CB 3.89Å; Y337-P351 HydrophobicContact CE1-CB 3.67Å; Y337-P351 HydrophobicContact CE1-CG 3.56Å; Y337-P351 HydrophobicContact CE2-CB 3.75Å; Y337-P351 HydrophobicContact CE2-CG 4.24Å; Y337-P351 HydrophobicContact CG-CB 3.92Å
352	R	95.3	Very high	92	Very high	51 Å²	51	44.7 Å²	44.7	19%	0.192	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	122.1	160.9	176.7	60.9	180	-116.6	0.9	108.6	G335 V336 I354 D397	G335-R352 CarbonylContact C-O 3.55Å; G335-R352 VanDerWaalsContact CA-O 3.29Å; G335-R352 WeakPolarHBondContact CA-O 3.29Å; V336-R352 PolarHBondContact N-O 3.32Å; V336-R352 PolarHBondContact O-N 3.23Å; R352-I354 PolarHBondContact O-N 2.86Å; R352-D397 PolarHBondContact NH1-O 3.21Å
353	I	96.2	Very high	92.4	Very high	34 Å²	34	44.4 Å²	44.4	17%	0.174	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	124.2	175	-54.7	-56.8	0	0	0	109.5	T326 D333 H355 R356	T326-I353 HydrophobicContact CG2-CD1 3.64Å; D333-I353 HydrophobicContact CB-CD1 4.37Å; I353-H355 WeakPolarHBondContact CG2-O 3.42Å; I353-R356 HydrophobicContact CG2-CG 3.77Å
354	I	95.9	Very high	92.7	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-13.5	176.6	59.6	165.8	0	0	0	112.5	P14 M323 M334 V336 R352 M377 F393	P14-I354 WeakPolarHBondContact CD-O 3.19Å; P14-I354 HydrophobicContact CG-CB 4Å; P14-I354 HydrophobicContact CG-CG2 4.33Å; M323-I354 HydrophobicContact CE-CD1 3.65Å; M323-I354 HydrophobicContact SD-CD1 4.03Å; M334-I354 HydrophobicContact CB-CG1 4.42Å; M334-I354 HydrophobicContact CG-CD1 4.28Å; M334-I354 HydrophobicContact CG-CG1 4.11Å; M334-I354 PolarHBondContact O-N 3.03Å; V336-I354 HydrophobicContact CG2-CD1 3.66Å; V336-I354 HydrophobicContact CG2-CG1 4.05Å; V336-I354 HydrophobicContact CG2-CG2 3.94Å; R352-I354 PolarHBondContact O-N 2.86Å; I354-M377 HydrophobicContact CD1-CE 4.37Å; I354-F393 HydrophobicContact CD1-CD1 4.48Å; I354-F393 HydrophobicContact CD1-CE1 4.19Å
355	H	96.5	Very high	93.3	Very high	10 Å²	10	37.7 Å²	37.7	5%	0.046	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	126.1	167.2	174.5	46.2	0	0	0	111.2	E13 K16 D333 M334 I353 P358 S359 M377 C379	E13-H355 IonicContact OE1-ND1 2.61Å; E13-H355 IonicContact OE2-ND1 3.38Å; E13-H355 PolarHBondContact OE2-ND1 3.02Å; K16-H355 PolarHBondContact NZ-CE1 2.75Å; K16-H355 PolarHBondContact NZ-ND1 2.79Å; D333-H355 CarbonylContact C-O 3.57Å; D333-H355 VanDerWaalsContact CA-O 3.27Å; D333-H355 WeakPolarHBondContact CA-O 3.47Å; M334-H355 HydrophobicContact CB-CB 4.14Å; M334-H355 PolarHBondContact N-O 3.03Å; M334-H355 PolarHBondContact O-N 3.2Å; I353-H355 WeakPolarHBondContact CG2-O 3.42Å; H355-P358 PolarHBondContact NE2-O 3.04Å; H355-S359 PolarHBondContact CD2-OG 3.34Å; H355-S359 VanDerWaalsContact CD2-OG 3.28Å; H355-M377 HydrophobicContact CB-CE 3.93Å; H355-M377 HydrophobicContact CB-SD 3.79Å; H355-C379 VanDerWaalsContact CD2-CB 3.45Å; H355-C379 WeakPolarHBondContact CD2-CB 3.32Å
356	R	96.8	Very high	94.5	Very high	133 Å²	133	34.7 Å²	34.7	50%	0.502	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	134.1	173.1	-60.7	178.3	-175.6	-78.3	-0.3	110.3	E13 D333 I353	E13-R356 VanDerWaalsContact OE1-CB 3.26Å; E13-R356 WeakPolarHBondContact OE1-CB 3.44Å; E13-R356 WeakPolarHBondContact OE1-CG 3.33Å; E13-R356 PolarHBondContact OE1-N 3.03Å; D333-R356 WeakPolarHBondContact OD1-CA 3.35Å; I353-R356 HydrophobicContact CG2-CG 3.77Å
357	G	96.8	Very high	95.3	Very high	15 Å²	15	31 Å²	31	16%	0.155	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	115.4	-167.9	-178.2	0	0	0	0	0	113.4	R332 D333 S359	R332-G357 CarbonylContact C-O 3.49Å; R332-G357 WeakPolarHBondContact CA-O 3.2Å; R332-G357 VanDerWaalsContact CB-O 3.26Å; R332-G357 WeakPolarHBondContact CB-O 3.47Å; D333-G357 PolarHBondContact N-O 3.03Å; D333-G357 PolarHBondContact OD1-N 3.35Å; G357-S359 PolarHBondContact O-N 2.93Å; G357-S359 PolarHBondContact O-OG 3.27Å; G357-S359 VanDerWaalsContact O-OG 3.13Å
358	P	98.1	Very high	94.6	Very high	23 Å²	23	31.7 Å²	31.7	15%	0.149	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	127.5	178.7	-26	33.9	0	0	0	112.5	H355 C379 G380 S383 E384	H355-P358 PolarHBondContact NE2-O 3.04Å; P358-C379 WeakPolarHBondContact O-CA 3.48Å; P358-G380 WeakPolarHBondContact CD-O 3.27Å; P358-G380 PolarHBondContact O-N 3.27Å; P358-S383 VanDerWaalsContact CB-C 3.42Å; P358-E384 HydrophobicContact CB-CB 4.15Å
359	S	97.7	Very high	93.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	129.6	-176.8	-53.6	0	0	0	0	110.8	P325 R331 M334 H355 G357 E378	P325-S359 WeakPolarHBondContact CG-O 3.27Å; R331-S359 CarbonylContact C-O 3.4Å; R331-S359 WeakPolarHBondContact CA-O 3.26Å; R331-S359 WeakPolarHBondContact CB-O 3.27Å; R331-S359 PolarHBondContact O-N 3.14Å; M334-S359 PolarHBondContact N-OG 2.79Å; H355-S359 PolarHBondContact CD2-OG 3.34Å; H355-S359 VanDerWaalsContact CD2-OG 3.28Å; G357-S359 PolarHBondContact O-N 2.93Å; G357-S359 PolarHBondContact O-OG 3.27Å; G357-S359 VanDerWaalsContact O-OG 3.13Å; S359-E378 CarbonylContact C-O 3.54Å; S359-E378 WeakPolarHBondContact CA-O 3.47Å
360	G	97.4	Very high	91.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-129.5	-173.9	0	0	0	0	0	112.7	M334 E378	M334-G360 WeakPolarHBondContact CE-O 3.31Å; G360-E378 PolarHBondContact N-O 2.78Å
361	Y	98.6	Very high	91.3	Very high	13 Å²	13	32.2 Å²	32.2	5%	0.051	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	153.8	-179.7	-72.6	43.7	0	0	0	109.8	I31 P169 E230 R250 Q285 M377 E378	I31-Y361 HydrophobicContact CD1-CD2 3.59Å; I31-Y361 HydrophobicContact CD1-CE2 3.5Å; I31-Y361 HydrophobicContact CD1-CG 4.18Å; I31-Y361 HydrophobicContact CG2-CD2 4.31Å; P169-Y361 HydrophobicContact CG-CD2 3.92Å; P169-Y361 HydrophobicContact CG-CE2 3.79Å; E230-Y361 VanDerWaalsContact OE1-CE2 3.3Å; E230-Y361 WeakPolarHBondContact OE1-CE2 3.48Å; E230-Y361 PolarHBondContact OE1-OH 3Å; E230-Y361 PolarHBondContact OE2-OH 2.88Å; R250-Y361 PolarHBondContact NH1-OH 3.49Å; Q285-Y361 HydrophobicContact CB-CD1 4.3Å; Q285-Y361 HydrophobicContact CB-CD2 3.4Å; Q285-Y361 HydrophobicContact CB-CE1 4.32Å; Q285-Y361 HydrophobicContact CB-CE2 3.41Å; Q285-Y361 VanDerWaalsContact CB-CE2 3.41Å; Q285-Y361 HydrophobicContact CB-CG 3.85Å; Q285-Y361 HydrophobicContact CG-CD2 4.02Å; Q285-Y361 HydrophobicContact CG-CE2 4.27Å; Y361-M377 CarbonylContact O-C 3.56Å; Y361-M377 WeakPolarHBondContact O-CA 3.14Å; Y361-E378 WeakPolarHBondContact CB-OE2 3.29Å; Y361-E378 WeakPolarHBondContact CD1-OE2 3.31Å; Y361-E378 PolarHBondContact N-OE2 3.46Å; Y361-E378 PolarHBondContact O-N 2.97Å
362	S	98.6	Very high	91.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	159	-179	53.7	0	0	0	0	111.4	Q285 S287 M323 L376	Q285-S362 PolarHBondContact NE2-O 3.27Å; Q285-S362 PolarHBondContact OE1-O 3.49Å; Q285-S362 VanDerWaalsContact OE1-O 3.05Å; S287-S362 WeakPolarHBondContact CB-O 3.42Å; M323-S362 PolarHBondContact O-OG 3.28Å; S362-L376 CarbonylContact C-O 3.45Å; S362-L376 WeakPolarHBondContact CA-O 3.41Å; S362-L376 VanDerWaalsContact CB-O 3.25Å; S362-L376 WeakPolarHBondContact CB-O 3.18Å
363	D	98.9	Very high	91.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	130.4	173.3	-159.5	19.6	0	0	0	111.8	A33 L34 G170 H171 S287 C375 L376	A33-D363 VanDerWaalsContact CA-OD2 3.26Å; A33-D363 WeakPolarHBondContact CA-OD2 3.32Å; L34-D363 HydrophobicContact CB-CB 4.23Å; L34-D363 PolarHBondContact N-OD2 2.94Å; G170-D363 VanDerWaalsContact CA-CG 3.48Å; G170-D363 WeakPolarHBondContact CA-OD2 3.33Å; H171-D363 IonicContact CE1-OD1 3.22Å; H171-D363 IonicContact CG-OD1 3.83Å; H171-D363 PolarHBondContact N-OD2 2.85Å; H171-D363 IonicContact ND1-OD1 3.42Å; H171-D363 PolarHBondContact ND1-OD1 2.76Å; H171-D363 IonicContact ND1-OD2 3.14Å; S287-D363 PolarHBondContact OG-OD1 2.79Å; S287-D363 VanDerWaalsContact OG-OD1 3.14Å; D363-C375 CarbonylContact O-C 3.5Å; D363-C375 WeakPolarHBondContact O-CA 3.16Å; D363-C375 WeakPolarHBondContact O-CB 3.47Å; D363-L376 PolarHBondContact N-O 3.43Å; D363-L376 PolarHBondContact O-N 3.45Å
364	L	98.3	Very high	91.2	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	149.1	-177	-76.2	165.3	0	0	0	111.7	S287 I289 L321 M323 S374 C375 F393	S287-L364 PolarHBondContact OG-N 2.59Å; I289-L364 HydrophobicContact CB-CB 4.33Å; I289-L364 HydrophobicContact CG2-CB 4.11Å; I289-L364 HydrophobicContact CG2-CD1 4.08Å; L321-L364 HydrophobicContact CB-CD1 4.21Å; M323-L364 HydrophobicContact CB-CD1 3.71Å; M323-L364 HydrophobicContact CB-CD2 4.21Å; M323-L364 HydrophobicContact CB-CG 3.88Å; M323-L364 HydrophobicContact SD-CD2 3.96Å; M323-L364 HydrophobicContact SD-CG 4.24Å; L364-S374 CarbonylContact C-O 3.56Å; L364-C375 HydrophobicContact CD2-CB 3.97Å; L364-F393 HydrophobicContact CD2-CE1 4.3Å; L364-F393 HydrophobicContact CD2-CZ 3.88Å
365	A	97.1	Very high	91.3	Very high	6 Å²	6	29.1 Å²	29.1	5%	0.05	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	140.7	167	0	0	0	0	0	110.1	L34 F43 F373 S374	L34-A365 HydrophobicContact CD2-CB 3.68Å; L34-A365 HydrophobicContact CG-CB 4.03Å; F43-A365 HydrophobicContact CE1-CB 4.01Å; A365-F373 WeakPolarHBondContact O-CA 3.25Å; A365-S374 PolarHBondContact N-O 3.29Å; A365-S374 PolarHBondContact O-N 2.87Å
366	Y	94.6	Very high	91.4	Very high	19 Å²	19	28.7 Å²	28.7	8%	0.075	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	119	178.8	174.1	-126.2	0	0	0	111.1	R38 I289 F291 G368 F373	R38-Y366 PolarHBondContact NH2-O 2.88Å; I289-Y366 VanDerWaalsContact CD1-N 3.26Å; F291-Y366 HydrophobicContact CB-CD1 3.69Å; F291-Y366 HydrophobicContact CB-CD2 4.08Å; F291-Y366 HydrophobicContact CB-CE1 3.73Å; F291-Y366 HydrophobicContact CB-CE2 4.07Å; F291-Y366 HydrophobicContact CB-CG 3.89Å; Y366-G368 PolarHBondContact O-N 2.88Å; Y366-F373 AromaticContact CD2-CD1 3.75Å; Y366-F373 HydrophobicContact CD2-CD1 3.75Å; Y366-F373 AromaticContact CD2-CE1 3.34Å; Y366-F373 HydrophobicContact CD2-CE1 3.34Å; Y366-F373 AromaticContact CD2-CZ 3.81Å; Y366-F373 HydrophobicContact CD2-CZ 3.81Å; Y366-F373 HydrophobicContact CE2-CE1 4.02Å; Y366-F373 HydrophobicContact CE2-CZ 4.01Å; Y366-F373 HydrophobicContact CG-CD1 4.4Å; Y366-F373 HydrophobicContact CG-CE1 4.03Å
367	N	85.5	Confident	91.4	Very high	5 Å²	5	22.3 Å²	22.3	3%	0.027	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	82.2	-174.7	-43.7	-21.8	0	0	0	107.3	Y36 F43 D369 K370 Q372 S374	Y36-N367 HydrophobicContact CD1-CB 4.26Å; Y36-N367 HydrophobicContact CE1-CB 3.97Å; F43-N367 WeakPolarHBondContact CE1-OD1 3.47Å; F43-N367 WeakPolarHBondContact CZ-ND2 3.36Å; F43-N367 VanDerWaalsContact CZ-OD1 3.25Å; F43-N367 WeakPolarHBondContact CZ-OD1 3.15Å; N367-D369 PolarHBondContact O-N 3.03Å; N367-K370 PolarHBondContact O-N 3.27Å; N367-Q372 WeakPolarHBondContact CA-O 3.4Å; N367-Q372 HydrophobicContact CB-CB 4.24Å; N367-Q372 WeakPolarHBondContact CB-O 3.46Å; N367-Q372 PolarHBondContact N-O 2.91Å; N367-S374 PolarHBondContact ND2-OG 3.46Å
368	G	69.8	Low	91.5	Very high	24 Å²	24	21.6 Å²	21.6	25%	0.247	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-10.2	-162.9	0	0	0	0	0	117.9	Y366 K370	Y366-G368 PolarHBondContact O-N 2.88Å; G368-K370 PolarHBondContact O-N 3.2Å
369	D	65.6	Low	91.6	Very high	104 Å²	104	20.5 Å²	20.5	56%	0.556	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-11.7	-173.6	-51.3	-39.3	0	0	0	113.5	H41 N367	H41-D369 IonicContact CE1-OD2 3.74Å; H41-D369 PolarHBondContact CE1-OD2 3.22Å; H41-D369 IonicContact ND1-OD2 2.98Å; N367-D369 PolarHBondContact O-N 3.03Å
370	K	63.6	Low	91.5	Very high	122 Å²	122	20.8 Å²	20.8	53%	0.53	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-148.9	20.8	-170.7	-62.1	-174.7	-179.1	175.5	0	116	N367 G368 Q372	N367-K370 PolarHBondContact O-N 3.27Å; G368-K370 PolarHBondContact O-N 3.2Å; K370-Q372 HydrophobicContact CB-CB 4.46Å; K370-Q372 HydrophobicContact CB-CG 3.93Å; K370-Q372 PolarHBondContact O-N 3.44Å; K370-Q372 VanDerWaalsContact O-N 3.11Å
371	D	82.2	Confident	91.5	Very high	72 Å²	72	29.9 Å²	29.9	39%	0.385	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	36.3	-170.5	-63.6	-35.6	0	0	0	113.2	L395	D371-L395 HydrophobicContact CB-CB 4.26Å; D371-L395 PolarHBondContact O-N 3.26Å
372	Q	90.1	Very high	91.4	Very high	64 Å²	64	37.8 Å²	37.8	30%	0.299	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	142.9	-178.8	-76.1	-171.1	11.1	0	0	110.9	N367 K370	N367-Q372 WeakPolarHBondContact CA-O 3.4Å; N367-Q372 HydrophobicContact CB-CB 4.24Å; N367-Q372 WeakPolarHBondContact CB-O 3.46Å; N367-Q372 PolarHBondContact N-O 2.91Å; K370-Q372 HydrophobicContact CB-CB 4.46Å; K370-Q372 HydrophobicContact CB-CG 3.93Å; K370-Q372 PolarHBondContact O-N 3.44Å; K370-Q372 VanDerWaalsContact O-N 3.11Å
373	F	95.4	Very high	91.3	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	147.9	174.7	-56.6	-88.6	0	0	0	108.5	I289 F291 L321 A365 Y366 S392 F393 L395	I289-F373 HydrophobicContact CG2-CD1 4.47Å; I289-F373 HydrophobicContact CG2-CE1 4.48Å; F291-F373 HydrophobicContact CB-CE1 4.26Å; F291-F373 HydrophobicContact CB-CZ 4.48Å; F291-F373 AromaticContact CD1-CE1 3.84Å; F291-F373 HydrophobicContact CD1-CE1 3.84Å; F291-F373 AromaticContact CD1-CZ 3.9Å; F291-F373 HydrophobicContact CD1-CZ 3.9Å; F291-F373 HydrophobicContact CD2-CE1 4.38Å; F291-F373 AromaticContact CD2-CZ 3.8Å; F291-F373 HydrophobicContact CD2-CZ 3.8Å; F291-F373 HydrophobicContact CE1-CE1 4.3Å; F291-F373 HydrophobicContact CE1-CZ 4.05Å; F291-F373 AromaticContact CE2-CZ 3.92Å; F291-F373 HydrophobicContact CE2-CZ 3.92Å; F291-F373 AromaticContact CG-CE1 3.89Å; F291-F373 HydrophobicContact CG-CE1 3.89Å; F291-F373 AromaticContact CG-CZ 3.79Å; F291-F373 HydrophobicContact CG-CZ 3.79Å; F291-F373 HydrophobicContact CZ-CZ 4.02Å; L321-F373 HydrophobicContact CD1-CD1 3.5Å; L321-F373 HydrophobicContact CD1-CD2 3.76Å; L321-F373 HydrophobicContact CD1-CE1 3.47Å; L321-F373 VanDerWaalsContact CD1-CE1 3.47Å; L321-F373 HydrophobicContact CD1-CE2 3.75Å; L321-F373 HydrophobicContact CD1-CG 3.64Å; L321-F373 HydrophobicContact CD1-CZ 3.6Å; L321-F373 HydrophobicContact CG-CE1 4.2Å; L321-F373 HydrophobicContact CG-CZ 4.29Å; A365-F373 WeakPolarHBondContact O-CA 3.25Å; Y366-F373 AromaticContact CD2-CD1 3.75Å; Y366-F373 HydrophobicContact CD2-CD1 3.75Å; Y366-F373 AromaticContact CD2-CE1 3.34Å; Y366-F373 HydrophobicContact CD2-CE1 3.34Å; Y366-F373 AromaticContact CD2-CZ 3.81Å; Y366-F373 HydrophobicContact CD2-CZ 3.81Å; Y366-F373 HydrophobicContact CE2-CE1 4.02Å; Y366-F373 HydrophobicContact CE2-CZ 4.01Å; Y366-F373 HydrophobicContact CG-CD1 4.4Å; Y366-F373 HydrophobicContact CG-CE1 4.03Å; F373-S392 CarbonylContact O-C 3.58Å; F373-S392 VanDerWaalsContact O-CA 3.27Å; F373-S392 WeakPolarHBondContact O-CA 3.32Å; F373-F393 HydrophobicContact CB-CD2 4.09Å; F373-F393 HydrophobicContact CB-CE1 4.16Å; F373-F393 HydrophobicContact CB-CE2 3.59Å; F373-F393 HydrophobicContact CB-CZ 3.63Å; F373-F393 HydrophobicContact CD2-CD2 4.32Å; F373-F393 AromaticContact CD2-CE2 4Å; F373-F393 HydrophobicContact CD2-CE2 4Å; F373-F393 AromaticContact CG-CE2 3.99Å; F373-F393 HydrophobicContact CG-CE2 3.99Å; F373-F393 HydrophobicContact CG-CZ 4.36Å; F373-F393 PolarHBondContact N-O 2.85Å; F373-F393 PolarHBondContact O-N 3.47Å; F373-F393 VanDerWaalsContact O-O 3.1Å; F373-L395 HydrophobicContact CE2-CB 4.01Å; F373-L395 HydrophobicContact CE2-CD1 4.29Å
374	S	96.9	Very high	91.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152.2	170.2	-65.3	0	0	0	0	109.2	L364 A365 N367 F390 V391 S392	L364-S374 CarbonylContact C-O 3.56Å; A365-S374 PolarHBondContact N-O 3.29Å; A365-S374 PolarHBondContact O-N 2.87Å; N367-S374 PolarHBondContact ND2-OG 3.46Å; S374-F390 VanDerWaalsContact CB-CZ 3.49Å; S374-F390 WeakPolarHBondContact OG-CZ 3.46Å; S374-V391 CarbonylContact C-O 3.55Å; S374-V391 VanDerWaalsContact CA-O 3.23Å; S374-V391 WeakPolarHBondContact CA-O 3.45Å; S374-S392 PolarHBondContact OG-OG 2.68Å
375	C	98.1	Very high	91.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	154.4	177.1	63.1	0	0	0	0	112.4	M323 D363 L364 F390 V391	M323-C375 HydrophobicContact CE-CB 3.9Å; M323-C375 VanDerWaalsContact CE-SG 3.5Å; M323-C375 HydrophobicContact SD-CB 3.46Å; M323-C375 WeakPolarHBondContact SD-CB 3.44Å; M323-C375 VanDerWaalsContact SD-SG 3.65Å; D363-C375 CarbonylContact O-C 3.5Å; D363-C375 WeakPolarHBondContact O-CA 3.16Å; D363-C375 WeakPolarHBondContact O-CB 3.47Å; L364-C375 HydrophobicContact CD2-CB 3.97Å; C375-F390 WeakPolarHBondContact O-CA 3.27Å; C375-V391 PolarHBondContact N-O 3.22Å; C375-V391 PolarHBondContact O-N 3.16Å
376	L	98.8	Very high	91.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	147.9	157.1	-63.5	178.6	0	0	0	109.7	L19 P32 A33 L34 A45 S362 D363 I388 A389 F390	L19-L376 HydrophobicContact CD1-CD2 3.65Å; L19-L376 HydrophobicContact CG-CD2 4.47Å; P32-L376 HydrophobicContact CB-CB 3.57Å; P32-L376 HydrophobicContact CB-CD1 3.88Å; P32-L376 HydrophobicContact CB-CG 4.39Å; P32-L376 HydrophobicContact CG-CB 4.39Å; A33-L376 WeakPolarHBondContact O-CD1 3.46Å; L34-L376 HydrophobicContact CB-CD1 3.99Å; L34-L376 HydrophobicContact CB-CG 4.1Å; L34-L376 HydrophobicContact CD1-CD1 4.13Å; L34-L376 HydrophobicContact CD1-CG 4.09Å; L34-L376 HydrophobicContact CD2-CG 4.28Å; L34-L376 HydrophobicContact CG-CG 4.39Å; A45-L376 HydrophobicContact CB-CD1 3.77Å; A45-L376 HydrophobicContact CB-CD2 4.17Å; S362-L376 CarbonylContact C-O 3.45Å; S362-L376 WeakPolarHBondContact CA-O 3.41Å; S362-L376 VanDerWaalsContact CB-O 3.25Å; S362-L376 WeakPolarHBondContact CB-O 3.18Å; D363-L376 PolarHBondContact N-O 3.43Å; D363-L376 PolarHBondContact O-N 3.45Å; L376-I388 HydrophobicContact CB-CG2 4.1Å; L376-I388 HydrophobicContact CD2-CG2 4.29Å; L376-A389 CarbonylContact C-O 3.6Å; L376-A389 VanDerWaalsContact CA-O 3.31Å; L376-A389 WeakPolarHBondContact CA-O 3.34Å; L376-F390 HydrophobicContact CD2-CB 4.01Å; L376-F390 HydrophobicContact CD2-CD2 4.02Å
377	M	98.6	Very high	91.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	142.1	167.9	59.2	177.7	138.2	0	0	112.4	K16 M323 M334 I354 H355 Y361 C379 I388 A389 V391	K16-M377 HydrophobicContact CD-CE 4.29Å; M323-M377 HydrophobicContact CE-CB 3.74Å; M323-M377 HydrophobicContact CE-CG 4.28Å; M323-M377 HydrophobicContact CE-SD 4.1Å; M334-M377 HydrophobicContact CB-SD 3.99Å; M334-M377 HydrophobicContact CE-CB 4.1Å; M334-M377 HydrophobicContact CG-SD 3.85Å; I354-M377 HydrophobicContact CD1-CE 4.37Å; H355-M377 HydrophobicContact CB-CE 3.93Å; H355-M377 HydrophobicContact CB-SD 3.79Å; Y361-M377 CarbonylContact O-C 3.56Å; Y361-M377 WeakPolarHBondContact O-CA 3.14Å; M377-C379 HydrophobicContact CG-CB 4.24Å; M377-C379 HydrophobicContact SD-CB 4.32Å; M377-I388 CarbonylContact O-C 3.45Å; M377-I388 VanDerWaalsContact O-CA 3.26Å; M377-I388 WeakPolarHBondContact O-CA 3.47Å; M377-A389 PolarHBondContact N-O 3.07Å; M377-A389 PolarHBondContact O-N 3.19Å; M377-V391 HydrophobicContact CE-CB 4.15Å; M377-V391 HydrophobicContact CE-CG2 3.28Å
378	E	98.8	Very high	92.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	121.5	160.7	-69.3	-179.5	155.3	0	0	109.2	R30 I31 P32 S359 G360 Y361 E384 Q387 I388	R30-E378 VanDerWaalsContact CA-OE1 3.23Å; R30-E378 WeakPolarHBondContact CA-OE1 3.03Å; R30-E378 WeakPolarHBondContact CB-OE1 3.43Å; R30-E378 IonicContact CZ-OE1 2.75Å; R30-E378 VanDerWaalsContact CZ-OE1 3.29Å; R30-E378 IonicContact CZ-OE2 3.19Å; R30-E378 IonicContact NE-OE1 2.7Å; R30-E378 PolarHBondContact NE-OE1 3.02Å; R30-E378 IonicContact NE-OE2 3.6Å; R30-E378 VanDerWaalsContact NH2-CD 3.28Å; R30-E378 IonicContact NH2-OE1 3.56Å; R30-E378 PolarHBondContact NH2-OE1 2.88Å; R30-E378 IonicContact NH2-OE2 3.98Å; R30-E378 PolarHBondContact NH2-OE2 3.07Å; I31-E378 PolarHBondContact N-OE1 2.64Å; P32-E378 HydrophobicContact CG-CG 4.43Å; S359-E378 CarbonylContact C-O 3.54Å; S359-E378 WeakPolarHBondContact CA-O 3.47Å; G360-E378 PolarHBondContact N-O 2.78Å; Y361-E378 WeakPolarHBondContact CB-OE2 3.29Å; Y361-E378 WeakPolarHBondContact CD1-OE2 3.31Å; Y361-E378 PolarHBondContact N-OE2 3.46Å; Y361-E378 PolarHBondContact O-N 2.97Å; E378-E384 CarbonylContact C-O 3.5Å; E378-E384 WeakPolarHBondContact CB-O 3.49Å; E378-Q387 WeakPolarHBondContact CA-O 3.49Å; E378-I388 HydrophobicContact CG-CG1 4.09Å
379	C	98.4	Very high	93.4	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	172.4	-177.6	69	0	0	0	0	112.8	H355 P358 M377 E384 Q387	H355-C379 VanDerWaalsContact CD2-CB 3.45Å; H355-C379 WeakPolarHBondContact CD2-CB 3.32Å; P358-C379 WeakPolarHBondContact O-CA 3.48Å; M377-C379 HydrophobicContact CG-CB 4.24Å; M377-C379 HydrophobicContact SD-CB 4.32Å; C379-E384 PolarHBondContact N-O 3.34Å; C379-E384 VanDerWaalsContact N-O 3.13Å; C379-Q387 PolarHBondContact N-O 3.11Å; C379-Q387 WeakPolarHBondContact O-CG 3.47Å; C379-Q387 PolarHBondContact O-N 3.27Å
380	G	96.9	Very high	95	Very high	5 Å²	5	39.4 Å²	39.4	5%	0.052	19%	0.187	C	C	.	.			trans	176.3	-172.1	177.4	0	0	0	0	0	112.7	P358 S383 E386	P358-G380 WeakPolarHBondContact CD-O 3.27Å; P358-G380 PolarHBondContact O-N 3.27Å; G380-S383 VanDerWaalsContact CA-O 3.28Å; G380-S383 WeakPolarHBondContact CA-O 3.37Å; G380-E386 VanDerWaalsContact CA-OE2 3.27Å; G380-E386 WeakPolarHBondContact CA-OE2 3.23Å
381	K	95.9	Very high	96.6	Very high	191 Å²	191	33.6 Å²	33.6	83%	0.83	16%	0.162	S	C	*	.	S	Bend	trans	-90.3	-44.9	176.5	-67.6	-179.5	-178.3	174.5	0	111.5	E386	K381-E386 PolarHBondContact N-OE1 3.15Å; K381-E386 PolarHBondContact N-OE2 3.03Å
382	E	96.6	Very high	97.2	Very high	179 Å²	179	32.3 Å²	32.3	84%	0.836	16%	0.158	S	C	*	.	S	Bend	trans	-107	-36	-177.5	-54.9	-173.3	165.4	0	0	111.9	E386	E382-E386 VanDerWaalsContact CA-OE1 3.32Å; E382-E386 WeakPolarHBondContact CA-OE1 3.42Å; E382-E386 VanDerWaalsContact CB-OE1 3.3Å; E382-E386 WeakPolarHBondContact CB-OE1 3.44Å; E382-E386 PolarHBondContact N-OE1 3.11Å
383	S	97.3	Very high	97.4	Very high	31 Å²	31	29.7 Å²	29.7	22%	0.217	15%	0.146	C	C	.	.			trans	-138.7	148.3	176.4	178	0	0	0	0	112.2	P358 G380 L385 E386	P358-S383 VanDerWaalsContact CB-C 3.42Å; G380-S383 VanDerWaalsContact CA-O 3.28Å; G380-S383 WeakPolarHBondContact CA-O 3.37Å; S383-L385 PolarHBondContact O-N 3.42Å; S383-L385 VanDerWaalsContact O-N 3.15Å; S383-L385 PolarHBondContact OG-N 2.91Å; S383-E386 PolarHBondContact N-OE1 2.96Å; S383-E386 WeakPolarHBondContact O-CG 3.2Å; S383-E386 PolarHBondContact O-N 2.63Å
384	E	97.1	Very high	97.2	Very high	40 Å²	40	31 Å²	31	19%	0.187	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-12.6	172.3	75	-78.9	-157.6	0	0	113.1	P358 E378 C379	P358-E384 HydrophobicContact CB-CB 4.15Å; E378-E384 CarbonylContact C-O 3.5Å; E378-E384 WeakPolarHBondContact CB-O 3.49Å; C379-E384 PolarHBondContact N-O 3.34Å; C379-E384 VanDerWaalsContact N-O 3.13Å
385	L	97.9	Very high	97	Very high	27 Å²	27	31.3 Å²	31.3	14%	0.141	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	4.5	-177.2	-54.7	-174.3	0	0	0	113.7	T28 R30 P53 S383	T28-L385 HydrophobicContact CG2-CB 4.26Å; R30-L385 VanDerWaalsContact CD-CD2 3.48Å; R30-L385 HydrophobicContact CG-CD2 4.19Å; P53-L385 HydrophobicContact CB-CD1 3.88Å; P53-L385 HydrophobicContact CG-CD1 4.27Å; S383-L385 PolarHBondContact O-N 3.42Å; S383-L385 VanDerWaalsContact O-N 3.15Å; S383-L385 PolarHBondContact OG-N 2.91Å
386	E	98.4	Very high	96.6	Very high	48 Å²	48	36.2 Å²	36.2	22%	0.224	18%	0.183	C	C	.	.	S	Bend	trans	-72.2	-36.6	179.5	-72.8	170.1	-154.4	0	0	111.9	R22 G380 K381 E382 S383	R22-E386 VanDerWaalsContact CB-O 3.29Å; R22-E386 WeakPolarHBondContact CB-O 3.42Å; R22-E386 PolarHBondContact N-O 3.08Å; G380-E386 VanDerWaalsContact CA-OE2 3.27Å; G380-E386 WeakPolarHBondContact CA-OE2 3.23Å; K381-E386 PolarHBondContact N-OE1 3.15Å; K381-E386 PolarHBondContact N-OE2 3.03Å; E382-E386 VanDerWaalsContact CA-OE1 3.32Å; E382-E386 WeakPolarHBondContact CA-OE1 3.42Å; E382-E386 VanDerWaalsContact CB-OE1 3.3Å; E382-E386 WeakPolarHBondContact CB-OE1 3.44Å; E382-E386 PolarHBondContact N-OE1 3.11Å; S383-E386 PolarHBondContact N-OE1 2.96Å; S383-E386 WeakPolarHBondContact O-CG 3.2Å; S383-E386 PolarHBondContact O-N 2.63Å
387	Q	98.3	Very high	96.1	Very high	40 Å²	40	39.2 Å²	39.2	19%	0.187	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	160.7	-176.6	53.5	-179.7	-13.5	0	0	113	T18 F20 E378 C379	T18-Q387 HydrophobicContact CG2-CB 3.87Å; T18-Q387 PolarHBondContact OG1-OE1 3.23Å; F20-Q387 CarbonylContact O-C 3.58Å; F20-Q387 WeakPolarHBondContact O-CA 3.48Å; F20-Q387 WeakPolarHBondContact O-CB 3.3Å; E378-Q387 WeakPolarHBondContact CA-O 3.49Å; C379-Q387 PolarHBondContact N-O 3.11Å; C379-Q387 WeakPolarHBondContact O-CG 3.47Å; C379-Q387 PolarHBondContact O-N 3.27Å
388	I	98.8	Very high	95.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	116.5	160.8	-61.4	172.1	0	0	0	107.6	L19 F20 P32 A47 L376 M377 E378	L19-I388 PolarHBondContact N-O 3.5Å; F20-I388 HydrophobicContact CB-CB 4.26Å; F20-I388 HydrophobicContact CD2-CB 4.09Å; F20-I388 HydrophobicContact CD2-CD1 4.31Å; F20-I388 HydrophobicContact CD2-CG2 4.25Å; F20-I388 PolarHBondContact N-O 3.06Å; F20-I388 PolarHBondContact O-N 2.92Å; P32-I388 HydrophobicContact CB-CD1 4.4Å; P32-I388 HydrophobicContact CB-CG2 3.94Å; A47-I388 HydrophobicContact CB-CD1 3.5Å; A47-I388 VanDerWaalsContact CB-CD1 3.5Å; L376-I388 HydrophobicContact CB-CG2 4.1Å; L376-I388 HydrophobicContact CD2-CG2 4.29Å; M377-I388 CarbonylContact O-C 3.45Å; M377-I388 VanDerWaalsContact O-CA 3.26Å; M377-I388 WeakPolarHBondContact O-CA 3.47Å; E378-I388 HydrophobicContact CG-CG1 4.09Å
389	A	98.6	Very high	95.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	143.9	-179.2	0	0	0	0	0	111.6	K16 T17 L376 M377	K16-A389 HydrophobicContact CB-CB 4.4Å; T17-A389 CarbonylContact O-C 3.56Å; T17-A389 WeakPolarHBondContact O-CA 3.35Å; L376-A389 CarbonylContact C-O 3.6Å; L376-A389 VanDerWaalsContact CA-O 3.31Å; L376-A389 WeakPolarHBondContact CA-O 3.34Å; M377-A389 PolarHBondContact N-O 3.07Å; M377-A389 PolarHBondContact O-N 3.19Å
390	F	98.5	Very high	93.6	Very high	7 Å²	7	49.6 Å²	49.6	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	137.9	168.7	179.6	-91.9	0	0	0	110.6	T17 L19 L34 F43 M74 W76 S374 C375 L376 S392	T17-F390 PolarHBondContact N-O 2.95Å; T17-F390 PolarHBondContact O-N 3.08Å; L19-F390 HydrophobicContact CD1-CB 3.86Å; L19-F390 HydrophobicContact CD2-CB 4.23Å; L19-F390 HydrophobicContact CG-CB 3.86Å; L34-F390 HydrophobicContact CD2-CE2 4.34Å; F43-F390 HydrophobicContact CD1-CE2 4.18Å; F43-F390 HydrophobicContact CE1-CE2 4.32Å; F43-F390 HydrophobicContact CE2-CZ 4.44Å; F43-F390 HydrophobicContact CG-CE2 4.32Å; F43-F390 HydrophobicContact CZ-CZ 4.41Å; M74-F390 HydrophobicContact CE-CE1 4.12Å; M74-F390 HydrophobicContact CE-CZ 3.9Å; M74-F390 HydrophobicContact CG-CE1 4.38Å; W76-F390 AromaticContact CH2-CD2 3.96Å; W76-F390 HydrophobicContact CH2-CD2 3.96Å; W76-F390 HydrophobicContact CH2-CE2 4.17Å; W76-F390 HydrophobicContact CH2-CG 4.44Å; W76-F390 HydrophobicContact CZ2-CB 4.12Å; W76-F390 AromaticContact CZ2-CD1 3.97Å; W76-F390 HydrophobicContact CZ2-CD1 3.97Å; W76-F390 AromaticContact CZ2-CD2 3.49Å; W76-F390 HydrophobicContact CZ2-CD2 3.49Å; W76-F390 VanDerWaalsContact CZ2-CD2 3.49Å; W76-F390 HydrophobicContact CZ2-CE1 4.23Å; W76-F390 AromaticContact CZ2-CE2 3.75Å; W76-F390 HydrophobicContact CZ2-CE2 3.75Å; W76-F390 AromaticContact CZ2-CG 3.58Å; W76-F390 HydrophobicContact CZ2-CG 3.58Å; W76-F390 HydrophobicContact CZ2-CZ 4.12Å; S374-F390 VanDerWaalsContact CB-CZ 3.49Å; S374-F390 WeakPolarHBondContact OG-CZ 3.46Å; C375-F390 WeakPolarHBondContact O-CA 3.27Å; L376-F390 HydrophobicContact CD2-CB 4.01Å; L376-F390 HydrophobicContact CD2-CD2 4.02Å; F390-S392 WeakPolarHBondContact CE1-OG 3.27Å
391	V	96.8	Very high	91.5	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	144.1	179.2	179.4	0	0	0	0	109.5	P14 K16 S374 C375 M377	P14-V391 HydrophobicContact CB-CG1 3.7Å; P14-V391 HydrophobicContact CG-CG1 3.41Å; P14-V391 VanDerWaalsContact CG-CG1 3.41Å; K16-V391 HydrophobicContact CB-CG2 4.14Å; K16-V391 HydrophobicContact CD-CG2 4.27Å; K16-V391 HydrophobicContact CG-CG2 3.65Å; S374-V391 CarbonylContact C-O 3.55Å; S374-V391 VanDerWaalsContact CA-O 3.23Å; S374-V391 WeakPolarHBondContact CA-O 3.45Å; C375-V391 PolarHBondContact N-O 3.22Å; C375-V391 PolarHBondContact O-N 3.16Å; M377-V391 HydrophobicContact CE-CB 4.15Å; M377-V391 HydrophobicContact CE-CG2 3.28Å
392	S	94.8	Very high	89.2	Confident	44 Å²	44	47 Å²	47	31%	0.308	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145.7	168.5	-63.8	0	0	0	0	110.7	F373 S374 F390	F373-S392 CarbonylContact O-C 3.58Å; F373-S392 VanDerWaalsContact O-CA 3.27Å; F373-S392 WeakPolarHBondContact O-CA 3.32Å; S374-S392 PolarHBondContact OG-OG 2.68Å; F390-S392 WeakPolarHBondContact CE1-OG 3.27Å
393	F	93.7	Very high	86.3	Confident	9 Å²	9	42 Å²	42	4%	0.039	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	160.8	176.3	58.9	-90	0	0	0	110.1	L321 V336 I354 L364 F373 D397 V398	L321-F393 HydrophobicContact CD1-CE2 4.04Å; L321-F393 HydrophobicContact CD1-CZ 4.46Å; V336-F393 HydrophobicContact CG1-CE2 4.01Å; V336-F393 HydrophobicContact CG1-CZ 4.07Å; V336-F393 HydrophobicContact CG2-CE1 4.17Å; V336-F393 HydrophobicContact CG2-CE2 4.24Å; V336-F393 HydrophobicContact CG2-CZ 3.77Å; I354-F393 HydrophobicContact CD1-CD1 4.48Å; I354-F393 HydrophobicContact CD1-CE1 4.19Å; L364-F393 HydrophobicContact CD2-CE1 4.3Å; L364-F393 HydrophobicContact CD2-CZ 3.88Å; F373-F393 HydrophobicContact CB-CD2 4.09Å; F373-F393 HydrophobicContact CB-CE1 4.16Å; F373-F393 HydrophobicContact CB-CE2 3.59Å; F373-F393 HydrophobicContact CB-CZ 3.63Å; F373-F393 HydrophobicContact CD2-CD2 4.32Å; F373-F393 AromaticContact CD2-CE2 4Å; F373-F393 HydrophobicContact CD2-CE2 4Å; F373-F393 AromaticContact CG-CE2 3.99Å; F373-F393 HydrophobicContact CG-CE2 3.99Å; F373-F393 HydrophobicContact CG-CZ 4.36Å; F373-F393 PolarHBondContact N-O 2.85Å; F373-F393 PolarHBondContact O-N 3.47Å; F373-F393 VanDerWaalsContact O-O 3.1Å; F393-D397 HydrophobicContact CB-CB 4.42Å; F393-V398 HydrophobicContact CD2-CG2 3.72Å; F393-V398 HydrophobicContact CE2-CG2 3.68Å
394	S	92.6	Very high	83.3	Confident	28 Å²	28	51.7 Å²	51.7	20%	0.196	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	162.6	178.1	68.4	0	0	0	0	112	N396 D397	S394-N396 PolarHBondContact O-N 3.26Å; S394-N396 PolarHBondContact OG-N 2.91Å; S394-D397 WeakPolarHBondContact CB-OD2 3.19Å; S394-D397 PolarHBondContact N-OD2 2.77Å; S394-D397 WeakPolarHBondContact O-CB 3.28Å; S394-D397 PolarHBondContact O-N 3.41Å; S394-D397 VanDerWaalsContact O-N 3.12Å; S394-D397 PolarHBondContact OG-N 3.22Å; S394-D397 PolarHBondContact OG-OD2 3.33Å
395	L	91.4	Very high	80.5	Confident	7 Å²	7	59.5 Å²	59.5	4%	0.037	32%	0.323	C	S	.	.	H	α-helix	trans	-55.4	-37.8	170	-173.8	57.4	0	0	0	112	F291 P294 W319 L338 D371 F373 D397 V398 M399	F291-L395 HydrophobicContact CE2-CD1 4.01Å; F291-L395 HydrophobicContact CE2-CD2 4.05Å; F291-L395 HydrophobicContact CZ-CD1 3.86Å; P294-L395 HydrophobicContact CG-CD2 3.49Å; P294-L395 VanDerWaalsContact CG-CD2 3.49Å; W319-L395 HydrophobicContact CZ3-CD2 4.25Å; L338-L395 HydrophobicContact CD1-CD1 4.34Å; L338-L395 HydrophobicContact CD2-CD1 4.26Å; D371-L395 HydrophobicContact CB-CB 4.26Å; D371-L395 PolarHBondContact O-N 3.26Å; F373-L395 HydrophobicContact CE2-CB 4.01Å; F373-L395 HydrophobicContact CE2-CD1 4.29Å; L395-D397 VanDerWaalsContact C-N 3.3Å; L395-D397 PolarHBondContact O-N 3.02Å; L395-V398 WeakPolarHBondContact O-CB 3.34Å; L395-V398 PolarHBondContact O-N 2.69Å; L395-V398 VanDerWaalsContact O-N 3.14Å; L395-M399 HydrophobicContact CD1-CG 4.33Å; L395-M399 HydrophobicContact CD1-SD 4.37Å; L395-M399 HydrophobicContact CD2-SD 4.16Å; L395-M399 HydrophobicContact CG-CG 4.23Å; L395-M399 HydrophobicContact CG-SD 3.83Å; L395-M399 WeakPolarHBondContact O-CG 3.36Å; L395-M399 PolarHBondContact O-N 2.76Å
396	N	89.8	Confident	77.5	Confident	103 Å²	103	66.9 Å²	66.9	55%	0.551	36%	0.357	S	S	*	.	H	α-helix	trans	-60.9	-37.9	178	-76.4	-30	0	0	0	112.4	S394 V398 M399 Q400	S394-N396 PolarHBondContact O-N 3.26Å; S394-N396 PolarHBondContact OG-N 2.91Å; N396-V398 PolarHBondContact O-N 3.47Å; N396-M399 PolarHBondContact O-N 2.98Å; N396-Q400 WeakPolarHBondContact O-CB 3.49Å; N396-Q400 VanDerWaalsContact O-CG 3.23Å; N396-Q400 WeakPolarHBondContact O-CG 3.41Å; N396-Q400 PolarHBondContact O-N 3.17Å
397	D	89.3	Confident	74.6	Confident	64 Å²	64	74.6 Å²	74.6	34%	0.342	39%	0.39	S	S	.	.	H	α-helix	trans	-62.7	-34.1	177.9	-61	-46.5	0	0	0	111.8	R352 F393 S394 L395	R352-D397 PolarHBondContact NH1-O 3.21Å; F393-D397 HydrophobicContact CB-CB 4.42Å; S394-D397 WeakPolarHBondContact CB-OD2 3.19Å; S394-D397 PolarHBondContact N-OD2 2.77Å; S394-D397 WeakPolarHBondContact O-CB 3.28Å; S394-D397 PolarHBondContact O-N 3.41Å; S394-D397 VanDerWaalsContact O-N 3.12Å; S394-D397 PolarHBondContact OG-N 3.22Å; S394-D397 PolarHBondContact OG-OD2 3.33Å; L395-D397 VanDerWaalsContact C-N 3.3Å; L395-D397 PolarHBondContact O-N 3.02Å
398	V	89.8	Confident	71.8	Confident	8 Å²	8	88 Å²	88	5%	0.048	44%	0.439	C	S	.	.	H	α-helix	trans	-75.8	-42.2	176.3	-173.4	0	0	0	0	111	L321 V336 L338 F393 L395 N396 Q400	L321-V398 HydrophobicContact CD2-CG1 4.25Å; V336-V398 HydrophobicContact CB-CG2 4.45Å; V336-V398 HydrophobicContact CG1-CG1 4.16Å; V336-V398 HydrophobicContact CG1-CG2 3.92Å; L338-V398 HydrophobicContact CB-CG1 3.98Å; F393-V398 HydrophobicContact CD2-CG2 3.72Å; F393-V398 HydrophobicContact CE2-CG2 3.68Å; L395-V398 WeakPolarHBondContact O-CB 3.34Å; L395-V398 PolarHBondContact O-N 2.69Å; L395-V398 VanDerWaalsContact O-N 3.14Å; N396-V398 PolarHBondContact O-N 3.47Å; V398-Q400 PolarHBondContact O-N 2.54Å
399	M	86.4	Confident	70.4	Confident	77 Å²	77	92.4 Å²	92.4	38%	0.379	46%	0.46	S	S	.	.	H	α-helix	trans	-73.4	-23.1	-176.3	-72.1	-177.3	64.8	0	0	114.8	W319 L338 L395 N396 T401	W319-M399 HydrophobicContact CZ3-SD 4.33Å; L338-M399 HydrophobicContact CD2-CG 3.85Å; L395-M399 HydrophobicContact CD1-CG 4.33Å; L395-M399 HydrophobicContact CD1-SD 4.37Å; L395-M399 HydrophobicContact CD2-SD 4.16Å; L395-M399 HydrophobicContact CG-CG 4.23Å; L395-M399 HydrophobicContact CG-SD 3.83Å; L395-M399 WeakPolarHBondContact O-CG 3.36Å; L395-M399 PolarHBondContact O-N 2.76Å; N396-M399 PolarHBondContact O-N 2.98Å; M399-T401 PolarHBondContact O-N 3.06Å
400	Q	67.1	Low	68.9	Low	132 Å²	132	97.2 Å²	97.2	62%	0.617	49%	0.485	S	S	*	.			trans	-70.7	26.7	-175.4	-79.4	176.7	28.1	0	0	115.7	N396 V398 G402	N396-Q400 WeakPolarHBondContact O-CB 3.49Å; N396-Q400 VanDerWaalsContact O-CG 3.23Å; N396-Q400 WeakPolarHBondContact O-CG 3.41Å; N396-Q400 PolarHBondContact O-N 3.17Å; V398-Q400 PolarHBondContact O-N 2.54Å; Q400-G402 VanDerWaalsContact C-N 3.27Å; Q400-G402 PolarHBondContact O-N 3.36Å
401	T	53.2	Low	67.3	Low	74 Å²	74	102.2 Å²	102.2	45%	0.454	51%	0.51	S	S	.	.	S	Bend	trans	-81.9	66.9	177.4	47.7	0	0	0	0	112	M399	M399-T401 PolarHBondContact O-N 3.06Å
402	G	46.3	Very low	65.6	Low	69 Å²	69	108.2 Å²	108.2	71%	0.711	54%	0.54	S	S	*	.	S	Bend	trans	140	98	161.4	0	0	0	0	0	114.7	Q400	Q400-G402 VanDerWaalsContact C-N 3.27Å; Q400-G402 PolarHBondContact O-N 3.36Å
403	G	36	Very low	63.7	Low	72 Å²	72	112.2 Å²	112.2	74%	0.742	55%	0.554	S	S	*	*			trans	179.5	28.2	179.8	0	0	0	0	0	119.8
404	R	35	Very low	61.7	Low	236 Å²	236	119.1 Å²	119.1	89%	0.891	59%	0.588	S	S	*	*			trans	-126.2	82.5	156.2	-83.9	-175	175.2	170.9	-0.3	109.9	E406	R404-E406 PolarHBondContact O-N 3.06Å; R404-E406 VanDerWaalsContact O-N 3.12Å
405	K	38.3	Very low	59.5	Low	204 Å²	204	125.6 Å²	125.6	89%	0.887	62%	0.616	S	S	*	*			trans	-61.9	109.6	151.4	-81.1	-176.6	177.6	176.3	0	106	K407	K405-K407 PolarHBondContact O-N 3.29Å
406	E	34.2	Very low	57.1	Low	182 Å²	182	134.7 Å²	134.7	85%	0.85	66%	0.661	S	S	*	*			trans	-48.1	115.7	166.1	-73.2	177.5	152.9	0	0	107.9	R404 R408	R404-E406 PolarHBondContact O-N 3.06Å; R404-E406 VanDerWaalsContact O-N 3.12Å; E406-R408 PolarHBondContact O-N 3.27Å
407	K	37.7	Very low	54.4	Low	209 Å²	209	137.3 Å²	137.3	91%	0.909	67%	0.67	S	S	*	*			trans	-67	120.7	163.1	-81.6	-177.9	175.7	177.7	0	105.5	K405	K405-K407 PolarHBondContact O-N 3.29Å
408	R	39	Very low	51.2	Low	321 Å²	321	144 Å²	144	100%	1.211	70%	0.7	S	S	*	*			trans	-42	0	179.8	-78.7	178.9	168.1	-177.8	-4.3	114.2	E406	E406-R408 PolarHBondContact O-N 3.27Å

Retrieved 408 of 408 residues in 603.3 ms (Link to these results)

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