A0A5K4F662_SCHMA Loading...

TGF_BETA_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F662, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 393 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	25.3	Very low	49.1	Very low	218 Å²	218	88 Å²	88	100%	1.074	42%	0.421	S	S	*	.				0	125.9	0	-72.1	158.4	144.9	0	0	108.8
2	K	27.6	Very low	49.8	Very low	121 Å²	121	81 Å²	81	53%	0.526	39%	0.388	S	S	.	.			trans	-93.2	108.9	165.6	-77.4	177.2	170.7	-178.9	0	106.7	N217 I219	K2-N217 PolarHBondContact NZ-OD1 2.87Å; K2-I219 HydrophobicContact CD-CD1 3.79Å
3	Q	28.3	Very low	49.9	Very low	156 Å²	156	81.7 Å²	81.7	73%	0.729	41%	0.406	S	S	*	.			trans	-70.2	138.5	174.3	-77.9	175.4	-39.7	0	0	110.4	K5	Q3-K5 HydrophobicContact CB-CG 4.38Å; Q3-K5 PolarHBondContact O-N 3.25Å
4	L	39.4	Very low	49.6	Very low	66 Å²	66	82.8 Å²	82.8	35%	0.346	43%	0.426	S	S	.	.			trans	-68.7	84.8	158.1	-77.6	165.8	0	0	0	108.3	Y6 I123	L4-Y6 PolarHBondContact O-N 3.1Å; L4-I123 HydrophobicContact CD1-CG2 4.25Å
5	K	46	Very low	49.7	Very low	123 Å²	123	80.5 Å²	80.5	54%	0.535	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-15.4	-170	-76	-178.1	176.8	177.2	0	115.5	Q3	Q3-K5 HydrophobicContact CB-CG 4.38Å; Q3-K5 PolarHBondContact O-N 3.25Å
6	Y	56	Low	49.4	Very low	52 Å²	52	83.6 Å²	83.6	20%	0.204	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.8	40.6	-170.3	-47.8	-80	0	0	0	114.6	L4 N221 L223	L4-Y6 PolarHBondContact O-N 3.1Å; Y6-N221 HydrophobicContact CE2-CB 3.54Å; Y6-N221 VanDerWaalsContact CE2-OD1 3.26Å; Y6-N221 WeakPolarHBondContact CE2-OD1 3.36Å; Y6-N221 WeakPolarHBondContact OH-CB 3.31Å; Y6-N221 PolarHBondContact OH-OD1 2.88Å; Y6-L223 HydrophobicContact CD1-CB 4.02Å; Y6-L223 HydrophobicContact CD1-CD1 4.35Å; Y6-L223 HydrophobicContact CE1-CB 4.46Å; Y6-L223 HydrophobicContact CG-CB 4.18Å; Y6-L223 HydrophobicContact CG-CD1 4.06Å
7	C	57.1	Low	49.6	Very low	40 Å²	40	80.9 Å²	80.9	27%	0.27	42%	0.417	S	S	.	.			trans	-72.4	145	159.9	-67.8	0	0	0	0	110.2	I104 M105	C7-I104 HydrophobicContact CB-CG2 3.91Å; C7-M105 WeakPolarHBondContact CA-O 3.37Å
8	F	66.1	Low	50.1	Low	34 Å²	34	86.5 Å²	86.5	15%	0.149	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.7	167.6	64.2	-76.1	0	0	0	110.1	I26 L41 I104 M105 I229	F8-I26 HydrophobicContact CE1-CD1 4.09Å; F8-I26 HydrophobicContact CE2-CD1 4.15Å; F8-I26 HydrophobicContact CZ-CD1 3.39Å; F8-L41 HydrophobicContact CE1-CD1 4.21Å; F8-L41 HydrophobicContact CZ-CD1 4.22Å; F8-I104 CarbonylContact O-C 3.6Å; F8-I104 WeakPolarHBondContact O-CA 3.45Å; F8-M105 HydrophobicContact CD1-CB 4.32Å; F8-M105 VanDerWaalsContact CD1-O 3.23Å; F8-M105 WeakPolarHBondContact CD1-O 3.38Å; F8-M105 HydrophobicContact CD2-CG 4.49Å; F8-M105 HydrophobicContact CE1-CB 3.59Å; F8-M105 HydrophobicContact CE1-CG 4.11Å; F8-M105 HydrophobicContact CE1-SD 4.5Å; F8-M105 HydrophobicContact CE2-CB 4.15Å; F8-M105 HydrophobicContact CE2-CE 3.81Å; F8-M105 HydrophobicContact CE2-CG 3.71Å; F8-M105 HydrophobicContact CE2-SD 3.89Å; F8-M105 HydrophobicContact CZ-CB 3.48Å; F8-M105 VanDerWaalsContact CZ-CB 3.48Å; F8-M105 HydrophobicContact CZ-CE 4.03Å; F8-M105 HydrophobicContact CZ-CG 3.48Å; F8-M105 VanDerWaalsContact CZ-CG 3.48Å; F8-M105 HydrophobicContact CZ-SD 3.51Å; F8-M105 VanDerWaalsContact CZ-SD 3.51Å; F8-M105 PolarHBondContact N-O 3.01Å; F8-M105 PolarHBondContact O-N 2.95Å; F8-I229 HydrophobicContact CB-CD1 4.16Å; F8-I229 HydrophobicContact CD1-CD1 3.32Å; F8-I229 HydrophobicContact CD1-CG2 4.48Å; F8-I229 HydrophobicContact CD2-CG2 4.27Å; F8-I229 HydrophobicContact CE1-CD1 3.77Å; F8-I229 HydrophobicContact CE1-CG2 4.31Å; F8-I229 HydrophobicContact CE2-CG2 4.09Å; F8-I229 HydrophobicContact CG-CD1 3.82Å; F8-I229 HydrophobicContact CG-CG2 4.46Å; F8-I229 HydrophobicContact CZ-CG2 4.11Å
9	I	63.1	Low	50.8	Low	85 Å²	85	87.3 Å²	87.3	44%	0.436	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.3	-174.8	-47	-176.1	0	0	0	108	I103 I104	I9-I103 WeakPolarHBondContact CA-O 3.39Å; I9-I104 HydrophobicContact CD1-CD1 4.39Å; I9-I104 HydrophobicContact CD1-CG1 4.31Å; I9-I104 HydrophobicContact CG1-CG1 4.08Å; I9-I104 HydrophobicContact CG1-CG2 4.32Å; I9-I104 HydrophobicContact CG2-CG1 4.29Å
10	F	68.6	Low	51.9	Low	32 Å²	32	89.3 Å²	89.3	14%	0.14	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	135.2	168.4	70.5	-73.8	0	0	0	110.5	I15 I103 M105 L231	F10-I15 HydrophobicContact CD2-CD1 3.88Å; F10-I15 HydrophobicContact CE2-CD1 4.5Å; F10-I103 HydrophobicContact CD1-CB 3.91Å; F10-I103 HydrophobicContact CD1-CG2 4.29Å; F10-I103 HydrophobicContact CE1-CB 3.4Å; F10-I103 VanDerWaalsContact CE1-CB 3.4Å; F10-I103 HydrophobicContact CE1-CD1 4.2Å; F10-I103 HydrophobicContact CE1-CG1 4.28Å; F10-I103 HydrophobicContact CE1-CG2 3.45Å; F10-I103 VanDerWaalsContact CE1-CG2 3.45Å; F10-I103 HydrophobicContact CE2-CB 4.33Å; F10-I103 HydrophobicContact CE2-CD1 3.93Å; F10-I103 HydrophobicContact CE2-CG1 4.44Å; F10-I103 HydrophobicContact CZ-CB 3.67Å; F10-I103 HydrophobicContact CZ-CD1 3.52Å; F10-I103 HydrophobicContact CZ-CG1 4.04Å; F10-I103 HydrophobicContact CZ-CG2 3.87Å; F10-I103 PolarHBondContact N-O 2.83Å; F10-I103 PolarHBondContact O-N 2.87Å; F10-M105 HydrophobicContact CD1-CE 4.25Å; F10-M105 HydrophobicContact CE1-CE 3.25Å; F10-M105 HydrophobicContact CE1-CG 4.22Å; F10-M105 HydrophobicContact CZ-CE 3.71Å; F10-L231 HydrophobicContact CD2-CD2 4.36Å; F10-L231 HydrophobicContact CE2-CD2 4.2Å; F10-L231 HydrophobicContact CZ-CD2 4.31Å
11	N	62.5	Low	52.9	Low	41 Å²	41	85.1 Å²	85.1	22%	0.219	43%	0.428	C	S	.	.			trans	-90.2	117.2	176.7	-176.3	-46.6	0	0	0	108.4	S13 S14 H101	N11-S13 PolarHBondContact O-N 3.19Å; N11-S13 VanDerWaalsContact O-N 3.13Å; N11-S13 VanDerWaalsContact OD1-CB 3.3Å; N11-S13 WeakPolarHBondContact OD1-CB 3.32Å; N11-S13 PolarHBondContact OD1-N 3.5Å; N11-S13 PolarHBondContact OD1-OG 2.93Å; N11-S14 PolarHBondContact O-N 2.99Å; N11-S14 VanDerWaalsContact O-N 3.11Å; N11-S14 PolarHBondContact O-OG 3.03Å; N11-H101 WeakPolarHBondContact CA-O 3.38Å; N11-H101 PolarHBondContact ND2-CD2 2.99Å; N11-H101 PolarHBondContact ND2-NE2 2.95Å; N11-H101 PolarHBondContact ND2-O 2.66Å; N11-H101 VanDerWaalsContact ND2-O 3.12Å; N11-H101 PolarHBondContact OD1-O 3.28Å
12	P	57.5	Low	55.3	Low	4 Å²	4	78.9 Å²	78.9	3%	0.026	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-63.3	-20.8	-176.8	-24.6	36.8	0	0	0	113.9	S14 I15 Y97 I100 H101 I103	P12-S14 VanDerWaalsContact C-N 3.28Å; P12-S14 PolarHBondContact O-N 3.39Å; P12-I15 CarbonylContact O-C 3.51Å; P12-I15 PolarHBondContact O-N 2.81Å; P12-I15 VanDerWaalsContact O-N 3.12Å; P12-Y97 HydrophobicContact CB-CE1 4.49Å; P12-Y97 HydrophobicContact CB-CE2 3.74Å; P12-Y97 VanDerWaalsContact CB-OH 3.28Å; P12-Y97 WeakPolarHBondContact CB-OH 3.14Å; P12-Y97 PolarHBondContact O-OH 3.32Å; P12-I100 HydrophobicContact CG-CB 4Å; P12-I100 HydrophobicContact CG-CG2 3.64Å; P12-H101 WeakPolarHBondContact CD-O 3.43Å; P12-I103 HydrophobicContact CG-CD1 4.06Å; P12-I103 HydrophobicContact CG-CG1 3.98Å
13	S	51.7	Low	57.7	Low	90 Å²	90	75.7 Å²	75.7	63%	0.629	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-70.2	-20.8	176.1	74.8	0	0	0	0	113.9	N11 I15	N11-S13 PolarHBondContact O-N 3.19Å; N11-S13 VanDerWaalsContact O-N 3.13Å; N11-S13 VanDerWaalsContact OD1-CB 3.3Å; N11-S13 WeakPolarHBondContact OD1-CB 3.32Å; N11-S13 PolarHBondContact OD1-N 3.5Å; N11-S13 PolarHBondContact OD1-OG 2.93Å; S13-I15 PolarHBondContact O-N 3.27Å
14	S	46.1	Very low	60.1	Low	97 Å²	97	68.3 Å²	68.3	68%	0.678	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-79.9	-7.1	171.6	71.7	0	0	0	0	113.3	N11 P12	N11-S14 PolarHBondContact O-N 2.99Å; N11-S14 VanDerWaalsContact O-N 3.11Å; N11-S14 PolarHBondContact O-OG 3.03Å; P12-S14 VanDerWaalsContact C-N 3.28Å; P12-S14 PolarHBondContact O-N 3.39Å
15	I	51	Low	61.9	Low	48 Å²	48	66.3 Å²	66.3	25%	0.246	34%	0.341	C	S	.	.	S	Bend	trans	-118.9	100.9	178.4	-45.3	-175.8	0	0	0	107.8	F10 P12 S13 L17 Y97 M233	F10-I15 HydrophobicContact CD2-CD1 3.88Å; F10-I15 HydrophobicContact CE2-CD1 4.5Å; P12-I15 CarbonylContact O-C 3.51Å; P12-I15 PolarHBondContact O-N 2.81Å; P12-I15 VanDerWaalsContact O-N 3.12Å; S13-I15 PolarHBondContact O-N 3.27Å; I15-L17 HydrophobicContact CB-CG 4.34Å; I15-L17 HydrophobicContact CG2-CD1 4.49Å; I15-L17 HydrophobicContact CG2-CD2 3.56Å; I15-L17 HydrophobicContact CG2-CG 3.83Å; I15-L17 PolarHBondContact O-N 3.03Å; I15-Y97 PolarHBondContact O-OH 3.27Å; I15-M233 HydrophobicContact CD1-CE 3.74Å; I15-M233 HydrophobicContact CG2-CE 3.86Å
16	L	44.5	Very low	63.4	Low	131 Å²	131	60.5 Å²	60.5	69%	0.686	32%	0.315	S	S	*	.			trans	-69.9	73.8	-175.5	-109.2	98.4	0	0	0	112.9	K18	L16-K18 HydrophobicContact CD2-CD 4.22Å; L16-K18 PolarHBondContact O-N 2.86Å
17	L	53	Low	64.2	Low	37 Å²	37	58.4 Å²	58.4	19%	0.194	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	41.8	-178.6	-61.9	-168.9	0	0	0	113.9	I15 N19 I21 Q93 Y97	I15-L17 HydrophobicContact CB-CG 4.34Å; I15-L17 HydrophobicContact CG2-CD1 4.49Å; I15-L17 HydrophobicContact CG2-CD2 3.56Å; I15-L17 HydrophobicContact CG2-CG 3.83Å; I15-L17 PolarHBondContact O-N 3.03Å; L17-N19 PolarHBondContact O-N 2.95Å; L17-I21 HydrophobicContact CD1-CD1 3.56Å; L17-I21 HydrophobicContact CD2-CD1 3.64Å; L17-I21 HydrophobicContact CD2-CG1 4.11Å; L17-I21 HydrophobicContact CG-CD1 4.23Å; L17-Q93 PolarHBondContact O-NE2 3Å; L17-Y97 HydrophobicContact CB-CE1 4.17Å; L17-Y97 HydrophobicContact CB-CE2 4.34Å; L17-Y97 WeakPolarHBondContact CB-OH 3.44Å; L17-Y97 HydrophobicContact CD1-CE2 3.79Å; L17-Y97 WeakPolarHBondContact CD1-OH 3.35Å; L17-Y97 HydrophobicContact CG-CE2 4.47Å; L17-Y97 WeakPolarHBondContact CG-OH 3.37Å
18	K	58.3	Low	64.9	Low	182 Å²	182	56.6 Å²	56.6	79%	0.791	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.3	163.2	-67.7	-172.9	176.4	-177.1	0	111.8	L16	L16-K18 HydrophobicContact CD2-CD 4.22Å; L16-K18 PolarHBondContact O-N 2.86Å
19	N	63.8	Low	65.1	Low	102 Å²	102	60.1 Å²	60.1	55%	0.545	31%	0.309	S	S	.	.	S	Bend	trans	-95.5	133	178.5	-64.1	-26.2	0	0	0	111.3	L17 I21 Q93 T235	L17-N19 PolarHBondContact O-N 2.95Å; N19-I21 PolarHBondContact O-N 3.05Å; N19-Q93 PolarHBondContact O-NE2 3.17Å; N19-T235 HydrophobicContact CB-CG2 3.58Å
20	K	72.7	Confident	65.4	Low	126 Å²	126	56.1 Å²	56.1	55%	0.548	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-59.9	121.5	171.7	177	172.1	172.7	171.1	0	110.2	Y94	K20-Y94 VanDerWaalsContact CE-OH 3.3Å; K20-Y94 WeakPolarHBondContact CE-OH 3.27Å; K20-Y94 PolarHBondContact NZ-OH 2.72Å
21	I	72.8	Confident	65.3	Low	3 Å²	3	55.8 Å²	55.8	2%	0.015	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	130.8	177.7	-67.4	172.5	0	0	0	109	L17 N19 L23 A24 I89 K90 M233	L17-I21 HydrophobicContact CD1-CD1 3.56Å; L17-I21 HydrophobicContact CD2-CD1 3.64Å; L17-I21 HydrophobicContact CD2-CG1 4.11Å; L17-I21 HydrophobicContact CG-CD1 4.23Å; N19-I21 PolarHBondContact O-N 3.05Å; I21-L23 VanDerWaalsContact CG2-O 3.31Å; I21-L23 WeakPolarHBondContact CG2-O 3.29Å; I21-A24 HydrophobicContact CG2-CB 4.08Å; I21-I89 HydrophobicContact CB-CG2 4.05Å; I21-I89 HydrophobicContact CD1-CG2 3.34Å; I21-I89 HydrophobicContact CG1-CG2 4.27Å; I21-I89 HydrophobicContact CG2-CG2 4.06Å; I21-K90 WeakPolarHBondContact O-CE 3.24Å; I21-M233 HydrophobicContact CD1-CB 3.97Å; I21-M233 HydrophobicContact CD1-CG 4.12Å; I21-M233 HydrophobicContact CD1-SD 3.53Å; I21-M233 VanDerWaalsContact CD1-SD 3.53Å; I21-M233 HydrophobicContact CG1-CB 4.45Å; I21-M233 HydrophobicContact CG2-CB 4.39Å
22	H	75.2	Confident	65.5	Low	86 Å²	86	54.8 Å²	54.8	40%	0.398	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-39.4	178.9	-157.2	-77.9	0	0	0	111.9	K90 K234 L236 L239	H22-K90 VanDerWaalsContact O-CE 3.28Å; H22-K90 WeakPolarHBondContact O-CE 3.49Å; H22-K90 PolarHBondContact O-NZ 3.44Å; H22-K234 PolarHBondContact N-O 3.32Å; H22-L236 HydrophobicContact CB-CB 4.44Å; H22-L239 HydrophobicContact CB-CD1 3.91Å
23	L	77.1	Confident	66	Low	55 Å²	55	61.7 Å²	61.7	29%	0.288	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.1	175.7	178.3	72.5	0	0	0	109.1	I21 T25 S86 M233 K234 L239	I21-L23 VanDerWaalsContact CG2-O 3.31Å; I21-L23 WeakPolarHBondContact CG2-O 3.29Å; L23-T25 HydrophobicContact CD1-CG2 4.26Å; L23-T25 HydrophobicContact CG-CG2 4.39Å; L23-S86 WeakPolarHBondContact CA-OG 3.49Å; L23-M233 CarbonylContact O-C 3.59Å; L23-M233 WeakPolarHBondContact O-CA 3.46Å; L23-K234 HydrophobicContact CB-CB 4.43Å; L23-K234 HydrophobicContact CD2-CD 4.41Å; L23-K234 PolarHBondContact N-O 3.39Å; L23-K234 VanDerWaalsContact N-O 3.12Å; L23-K234 PolarHBondContact O-N 2.98Å; L23-L239 HydrophobicContact CB-CD1 4.17Å; L23-L239 HydrophobicContact CD2-CD2 4.11Å
24	A	79.6	Confident	66.8	Low	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	127.7	166.2	0	0	0	0	0	109.8	I21 I85 S86 I89 N232 M233	I21-A24 HydrophobicContact CG2-CB 4.08Å; A24-I85 HydrophobicContact CB-CG1 4.07Å; A24-I85 PolarHBondContact O-N 3.15Å; A24-S86 PolarHBondContact N-OG 3.49Å; A24-S86 PolarHBondContact O-N 3.01Å; A24-S86 PolarHBondContact O-OG 2.65Å; A24-I89 HydrophobicContact CB-CB 3.98Å; A24-I89 HydrophobicContact CB-CG1 3.67Å; A24-I89 HydrophobicContact CB-CG2 4.24Å; A24-N232 CarbonylContact C-O 3.55Å; A24-N232 WeakPolarHBondContact CA-O 3.36Å; A24-M233 HydrophobicContact CB-CG 3.93Å
25	T	77.1	Confident	68	Low	25 Å²	25	55.3 Å²	55.3	15%	0.153	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.8	171.8	61.1	0	0	0	0	111.1	L23 I82 W83 N232	L23-T25 HydrophobicContact CD1-CG2 4.26Å; L23-T25 HydrophobicContact CG-CG2 4.39Å; T25-I82 HydrophobicContact CG2-CG2 4.08Å; T25-W83 CarbonylContact C-O 3.57Å; T25-W83 WeakPolarHBondContact CA-O 3.4Å; T25-W83 WeakPolarHBondContact CB-O 3.32Å; T25-N232 PolarHBondContact N-O 3.38Å; T25-N232 PolarHBondContact O-N 3.16Å
26	I	78.2	Confident	69	Low	1 Å²	1	53 Å²	53	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	133.6	167.9	-178.9	175.6	0	0	0	107.6	F8 L41 I82 W83 I85 I229	F8-I26 HydrophobicContact CE1-CD1 4.09Å; F8-I26 HydrophobicContact CE2-CD1 4.15Å; F8-I26 HydrophobicContact CZ-CD1 3.39Å; I26-L41 HydrophobicContact CD1-CD1 4.26Å; I26-L41 HydrophobicContact CD1-CD2 4.48Å; I26-I82 WeakPolarHBondContact O-CA 3.45Å; I26-W83 HydrophobicContact CG2-CB 4Å; I26-W83 HydrophobicContact CG2-CE3 4.19Å; I26-W83 PolarHBondContact N-O 3.24Å; I26-W83 PolarHBondContact O-N 3.39Å; I26-I85 HydrophobicContact CB-CD1 3.85Å; I26-I85 HydrophobicContact CB-CG1 4.34Å; I26-I85 HydrophobicContact CG2-CD1 3.98Å; I26-I85 HydrophobicContact CG2-CG1 4.12Å; I26-I85 HydrophobicContact CG2-CG2 3.66Å; I26-I229 HydrophobicContact CD1-CG2 3.81Å; I26-I229 HydrophobicContact CG1-CG2 3.68Å
27	S	72	Confident	70.3	Confident	8 Å²	8	50 Å²	50	6%	0.056	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	147.5	178	61.8	0	0	0	0	112.7	V81 I229 I230	S27-V81 WeakPolarHBondContact CA-O 3.41Å; S27-V81 WeakPolarHBondContact CB-O 3.35Å; S27-I229 CarbonylContact O-C 3.58Å; S27-I229 WeakPolarHBondContact O-CA 3.47Å; S27-I230 PolarHBondContact N-O 3.47Å; S27-I230 PolarHBondContact O-N 3.45Å; S27-I230 PolarHBondContact OG-O 3.08Å
28	T	72	Confident	71.3	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	178.8	-178.1	-160.7	0	0	0	0	111.2	I30 Q80 V81 W83 L107 L223 Q228	T28-I30 HydrophobicContact CG2-CG2 4Å; T28-Q80 CarbonylContact O-C 3.56Å; T28-Q80 WeakPolarHBondContact O-CA 3.34Å; T28-V81 PolarHBondContact N-O 3.21Å; T28-V81 VanDerWaalsContact N-O 3.09Å; T28-V81 PolarHBondContact O-N 2.82Å; T28-W83 HydrophobicContact CG2-CH2 4.26Å; T28-W83 HydrophobicContact CG2-CZ3 3.89Å; T28-L107 HydrophobicContact CG2-CD1 4.2Å; T28-L223 HydrophobicContact CG2-CD2 3.44Å; T28-L223 VanDerWaalsContact CG2-CD2 3.44Å; T28-L223 WeakPolarHBondContact OG1-CD2 3.49Å; T28-Q228 PolarHBondContact OG1-O 3.06Å
29	Y	69.4	Low	72.1	Confident	108 Å²	108	43 Å²	43	42%	0.424	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	101.9	176.9	-69.2	-97.6	0	0	0	111	R79 Q80 T227	Y29-R79 VanDerWaalsContact CA-O 3.3Å; Y29-R79 WeakPolarHBondContact CA-O 3.39Å; Y29-Q80 HydrophobicContact CD1-CB 4.11Å; Y29-Q80 HydrophobicContact CE1-CB 3.73Å; Y29-Q80 HydrophobicContact CE1-CG 4.44Å; Y29-Q80 HydrophobicContact CE2-CG 4.43Å; Y29-T227 WeakPolarHBondContact O-CG2 3.25Å
30	I	70.6	Confident	72.9	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	160.1	172.2	66.4	172.6	0	0	0	110.4	T28 I34 P36 L39 Y78 R79 V81 W83 I222 L223	T28-I30 HydrophobicContact CG2-CG2 4Å; I30-I34 HydrophobicContact CD1-CB 4.21Å; I30-I34 HydrophobicContact CD1-CG2 4.15Å; I30-P36 HydrophobicContact CD1-CB 4.04Å; I30-P36 HydrophobicContact CD1-CG 4.09Å; I30-L39 HydrophobicContact CD1-CD1 4.18Å; I30-L39 HydrophobicContact CG2-CD1 4.23Å; I30-Y78 CarbonylContact O-C 3.48Å; I30-Y78 VanDerWaalsContact O-CA 3.28Å; I30-Y78 WeakPolarHBondContact O-CA 3.5Å; I30-R79 HydrophobicContact CG1-CG 3.97Å; I30-R79 PolarHBondContact N-O 3.44Å; I30-R79 VanDerWaalsContact N-O 3.09Å; I30-R79 PolarHBondContact O-N 3.49Å; I30-V81 HydrophobicContact CD1-CG2 3.75Å; I30-V81 HydrophobicContact CG1-CG2 3.81Å; I30-W83 HydrophobicContact CG2-CH2 4.08Å; I30-I222 WeakPolarHBondContact CA-O 3.48Å; I30-I222 HydrophobicContact CG2-CG2 4.33Å; I30-L223 HydrophobicContact CG2-CD2 4.48Å
31	H	66.3	Low	73.3	Confident	26 Å²	26	33.9 Å²	33.9	12%	0.12	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	142.9	168.9	-90.7	-64.8	0	0	0	111.7	W33 I34 K77 Y78 N221 I222	H31-W33 VanDerWaalsContact C-N 3.26Å; H31-W33 HydrophobicContact CB-CD2 4.36Å; H31-W33 HydrophobicContact CB-CG 4.28Å; H31-W33 HydrophobicContact CB-CZ2 4.47Å; H31-W33 AromaticContact CD2-NE1 3.99Å; H31-W33 AromaticContact CG-NE1 3.49Å; H31-W33 AromaticContact ND1-NE1 3.84Å; H31-W33 PolarHBondContact O-N 2.81Å; H31-I34 HydrophobicContact CB-CD1 3.86Å; H31-I34 HydrophobicContact CB-CG1 3.94Å; H31-I34 PolarHBondContact O-N 3.33Å; H31-I34 VanDerWaalsContact O-N 3.09Å; H31-K77 PolarHBondContact ND1-O 2.71Å; H31-Y78 AromaticContact CD2-CE1 3.72Å; H31-Y78 AromaticContact CE1-CE1 3.16Å; H31-Y78 WeakPolarHBondContact CE1-CE1 3.22Å; H31-Y78 AromaticContact CE1-CZ 3.34Å; H31-Y78 PolarHBondContact CE1-OH 3.01Å; H31-Y78 AromaticContact CG-CE1 3.66Å; H31-Y78 AromaticContact ND1-CD1 3.75Å; H31-Y78 AromaticContact ND1-CE1 3.3Å; H31-Y78 VanDerWaalsContact ND1-CE1 3.3Å; H31-Y78 WeakPolarHBondContact ND1-CE1 3.25Å; H31-Y78 AromaticContact ND1-CZ 3.85Å; H31-Y78 AromaticContact NE2-CE1 3.39Å; H31-Y78 WeakPolarHBondContact NE2-CE1 3.38Å; H31-Y78 AromaticContact NE2-CZ 3.77Å; H31-Y78 PolarHBondContact NE2-OH 3.37Å; H31-N221 PolarHBondContact CD2-O 2.83Å; H31-N221 VanDerWaalsContact CD2-O 3.32Å; H31-I222 PolarHBondContact N-O 3.07Å
32	S	66.6	Low	73.7	Confident	19 Å²	19	34.2 Å²	34.2	13%	0.133	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.6	-178.3	37	0	0	0	0	113.7	I34 L76 K77 R79	S32-I34 VanDerWaalsContact C-N 3.35Å; S32-L76 VanDerWaalsContact CB-O 3.23Å; S32-L76 WeakPolarHBondContact CB-O 2.96Å; S32-L76 PolarHBondContact OG-O 3.12Å; S32-K77 PolarHBondContact N-O 2.74Å; S32-K77 PolarHBondContact OG-O 2.99Å; S32-R79 PolarHBondContact O-NH2 2.87Å; S32-R79 VanDerWaalsContact O-NH2 3.07Å
33	W	67.2	Low	73.9	Confident	150 Å²	150	30.1 Å²	30.1	57%	0.568	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-19.2	175.8	61.9	-99.9	0	0	0	114.4	H31 N35 D220	H31-W33 VanDerWaalsContact C-N 3.26Å; H31-W33 HydrophobicContact CB-CD2 4.36Å; H31-W33 HydrophobicContact CB-CG 4.28Å; H31-W33 HydrophobicContact CB-CZ2 4.47Å; H31-W33 AromaticContact CD2-NE1 3.99Å; H31-W33 AromaticContact CG-NE1 3.49Å; H31-W33 AromaticContact ND1-NE1 3.84Å; H31-W33 PolarHBondContact O-N 2.81Å; W33-N35 PolarHBondContact O-N 2.91Å; W33-D220 HydrophobicContact CH2-CB 4.21Å; W33-D220 HydrophobicContact CZ2-CB 4.17Å
34	I	69.3	Low	74.1	Confident	5 Å²	5	27.7 Å²	27.7	3%	0.026	13%	0.127	C	C	.	.	S	Bend	trans	-77.6	121.5	179.6	-61.9	177.2	0	0	0	109	I30 H31 S32 L39 R79 I222	I30-I34 HydrophobicContact CD1-CB 4.21Å; I30-I34 HydrophobicContact CD1-CG2 4.15Å; H31-I34 HydrophobicContact CB-CD1 3.86Å; H31-I34 HydrophobicContact CB-CG1 3.94Å; H31-I34 PolarHBondContact O-N 3.33Å; H31-I34 VanDerWaalsContact O-N 3.09Å; S32-I34 VanDerWaalsContact C-N 3.35Å; I34-L39 HydrophobicContact CG2-CD1 4.13Å; I34-L39 HydrophobicContact CG2-CD2 4.31Å; I34-L39 HydrophobicContact CG2-CG 4.3Å; I34-R79 PolarHBondContact O-NH2 3.48Å; I34-I222 HydrophobicContact CD1-CB 4.14Å; I34-I222 HydrophobicContact CD1-CG1 4.27Å; I34-I222 HydrophobicContact CD1-CG2 4.05Å
35	N	70.6	Confident	74.1	Confident	47 Å²	47	27.7 Å²	27.7	25%	0.251	13%	0.127	S	C	.	.			trans	-68.2	120.8	173.7	-178.5	-10.3	0	0	0	109.5	W33 N37 Q38	W33-N35 PolarHBondContact O-N 2.91Å; N35-N37 PolarHBondContact O-N 2.77Å; N35-N37 PolarHBondContact OD1-N 2.93Å; N35-N37 VanDerWaalsContact OD1-N 3.12Å; N35-Q38 HydrophobicContact CB-CB 4.18Å; N35-Q38 HydrophobicContact CB-CG 4Å; N35-Q38 PolarHBondContact O-N 3.18Å; N35-Q38 VanDerWaalsContact O-N 3.1Å
36	P	72.2	Confident	74.2	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-69.6	-19.5	-173.2	-8.4	23.6	0	0	0	113.1	I30 Q38 L60 V81 W83	I30-P36 HydrophobicContact CD1-CB 4.04Å; I30-P36 HydrophobicContact CD1-CG 4.09Å; P36-Q38 VanDerWaalsContact C-N 3.34Å; P36-L60 VanDerWaalsContact O-O 3.12Å; P36-V81 HydrophobicContact CB-CG1 3.92Å; P36-V81 HydrophobicContact CB-CG2 4.13Å; P36-V81 HydrophobicContact CG-CG2 4.07Å; P36-W83 HydrophobicContact CB-CZ2 4.06Å; P36-W83 PolarHBondContact O-NE1 3.2Å
37	N	72.8	Confident	74.2	Confident	69 Å²	69	28.3 Å²	28.3	37%	0.369	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-86.3	-4.8	178.6	-61.8	-21.2	0	0	0	112.7	N35 N62	N35-N37 PolarHBondContact O-N 2.77Å; N35-N37 PolarHBondContact OD1-N 2.93Å; N35-N37 VanDerWaalsContact OD1-N 3.12Å; N37-N62 VanDerWaalsContact OD1-CB 3.32Å; N37-N62 WeakPolarHBondContact OD1-CB 3.43Å; N37-N62 PolarHBondContact OD1-N 2.83Å
38	Q	73.3	Confident	74.3	Confident	71 Å²	71	32.8 Å²	32.8	33%	0.332	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-97.1	17.9	173.8	-72.9	179.9	-29.1	0	0	112.5	N35 P36 T109 N110 N111	N35-Q38 HydrophobicContact CB-CB 4.18Å; N35-Q38 HydrophobicContact CB-CG 4Å; N35-Q38 PolarHBondContact O-N 3.18Å; N35-Q38 VanDerWaalsContact O-N 3.1Å; P36-Q38 VanDerWaalsContact C-N 3.34Å; Q38-T109 CarbonylContact O-C 3.52Å; Q38-T109 WeakPolarHBondContact O-CA 3.26Å; Q38-N110 PolarHBondContact O-N 2.94Å; Q38-N111 PolarHBondContact OE1-ND2 2.91Å
39	L	75.6	Confident	74.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.2	-178.3	-70.9	168.5	0	0	0	112	I30 I34 L60 W83 V108 T109 I222	I30-L39 HydrophobicContact CD1-CD1 4.18Å; I30-L39 HydrophobicContact CG2-CD1 4.23Å; I34-L39 HydrophobicContact CG2-CD1 4.13Å; I34-L39 HydrophobicContact CG2-CD2 4.31Å; I34-L39 HydrophobicContact CG2-CG 4.3Å; L39-L60 HydrophobicContact CB-CB 4.49Å; L39-L60 HydrophobicContact CB-CD1 4.27Å; L39-L60 WeakPolarHBondContact O-CB 3.17Å; L39-L60 PolarHBondContact O-N 3.33Å; L39-W83 HydrophobicContact CD1-CH2 3.96Å; L39-W83 HydrophobicContact CD1-CZ2 3.73Å; L39-V108 CarbonylContact C-O 3.5Å; L39-V108 WeakPolarHBondContact CA-O 3.21Å; L39-T109 HydrophobicContact CD2-CG2 3.87Å; L39-I222 HydrophobicContact CD1-CG2 4.46Å; L39-I222 HydrophobicContact CD2-CD1 4.16Å; L39-I222 HydrophobicContact CD2-CG2 3.82Å
40	K	80.5	Confident	74.5	Confident	36 Å²	36	38.4 Å²	38.4	16%	0.157	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133.4	164.5	-77.9	158.7	-176.3	170.5	0	109.1	Y57 I58 V108 N110 D113	K40-Y57 HydrophobicContact CD-CD2 4.44Å; K40-Y57 HydrophobicContact CG-CD2 4.21Å; K40-I58 CarbonylContact C-O 3.58Å; K40-I58 WeakPolarHBondContact CA-O 3.45Å; K40-V108 PolarHBondContact N-O 2.91Å; K40-V108 PolarHBondContact O-N 3.4Å; K40-N110 WeakPolarHBondContact CD-OD1 3.22Å; K40-N110 WeakPolarHBondContact CE-OD1 3.49Å; K40-N110 VanDerWaalsContact CG-OD1 3.24Å; K40-N110 WeakPolarHBondContact CG-OD1 3.23Å; K40-D113 IonicContact NZ-OD2 3.14Å
41	L	81.3	Confident	74.6	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	105.4	166.7	-178.4	65.8	0	0	0	108.2	F8 I26 V43 Y57 I58 L60 I85 M105 T106 L107	F8-L41 HydrophobicContact CE1-CD1 4.21Å; F8-L41 HydrophobicContact CZ-CD1 4.22Å; I26-L41 HydrophobicContact CD1-CD1 4.26Å; I26-L41 HydrophobicContact CD1-CD2 4.48Å; L41-V43 HydrophobicContact CD2-CG2 4.41Å; L41-V43 HydrophobicContact CG-CG2 4.05Å; L41-Y57 CarbonylContact O-C 3.46Å; L41-Y57 VanDerWaalsContact O-CA 3.23Å; L41-Y57 WeakPolarHBondContact O-CA 3.45Å; L41-I58 HydrophobicContact CB-CB 4.49Å; L41-I58 PolarHBondContact N-O 2.94Å; L41-I58 PolarHBondContact O-N 2.95Å; L41-L60 HydrophobicContact CB-CD1 3.97Å; L41-L60 HydrophobicContact CB-CD2 3.87Å; L41-L60 HydrophobicContact CB-CG 3.9Å; L41-L60 HydrophobicContact CD2-CD2 4.11Å; L41-I85 HydrophobicContact CD2-CG2 4.23Å; L41-M105 HydrophobicContact CD1-CB 3.76Å; L41-M105 HydrophobicContact CD1-SD 3.96Å; L41-M105 HydrophobicContact CD2-SD 3.76Å; L41-M105 HydrophobicContact CG-CB 4.37Å; L41-M105 HydrophobicContact CG-SD 4.07Å; L41-T106 WeakPolarHBondContact CA-O 3.39Å; L41-L107 HydrophobicContact CB-CD2 4.44Å; L41-L107 HydrophobicContact CD1-CD2 3.88Å
42	H	81.8	Confident	75.2	Confident	10 Å²	10	44.5 Å²	44.5	5%	0.046	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	134.6	173.7	-69	-122.8	0	0	0	108.8	F44 H55 M105 T106 I123	H42-F44 HydrophobicContact CB-CE2 4.14Å; H42-F44 HydrophobicContact CB-CZ 4.22Å; H42-H55 AromaticContact ND1-NE2 3.49Å; H42-H55 PolarHBondContact ND1-NE2 3.36Å; H42-M105 CarbonylContact O-C 3.59Å; H42-M105 WeakPolarHBondContact O-CA 3.36Å; H42-M105 WeakPolarHBondContact O-CB 3.36Å; H42-T106 HydrophobicContact CB-CG2 3.9Å; H42-T106 PolarHBondContact N-O 3.03Å; H42-T106 PolarHBondContact O-N 3.25Å; H42-I123 HydrophobicContact CB-CD1 4.41Å; H42-I123 VanDerWaalsContact ND1-CD1 3.28Å; H42-I123 WeakPolarHBondContact ND1-CD1 3.48Å
43	V	78.9	Confident	75.7	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	124.5	-172.3	-173.7	0	0	0	0	109.4	L41 L45 H55 F56 M88 I103 I104 M105	L41-V43 HydrophobicContact CD2-CG2 4.41Å; L41-V43 HydrophobicContact CG-CG2 4.05Å; V43-L45 HydrophobicContact CG1-CD2 4.17Å; V43-H55 WeakPolarHBondContact O-CA 3.11Å; V43-H55 PolarHBondContact O-CD2 3.26Å; V43-F56 HydrophobicContact CB-CD2 4.05Å; V43-F56 HydrophobicContact CB-CE1 4.18Å; V43-F56 HydrophobicContact CB-CE2 3.59Å; V43-F56 HydrophobicContact CB-CZ 3.67Å; V43-F56 HydrophobicContact CG1-CE1 4.06Å; V43-F56 HydrophobicContact CG1-CE2 3.97Å; V43-F56 HydrophobicContact CG1-CZ 3.55Å; V43-F56 HydrophobicContact CG2-CD2 4.3Å; V43-F56 HydrophobicContact CG2-CE2 3.74Å; V43-F56 HydrophobicContact CG2-CZ 4.21Å; V43-F56 PolarHBondContact N-O 3.3Å; V43-F56 PolarHBondContact O-N 3.16Å; V43-M88 HydrophobicContact CG2-SD 3.84Å; V43-I103 HydrophobicContact CG1-CG2 3.57Å; V43-I104 WeakPolarHBondContact CA-O 3.45Å; V43-M105 HydrophobicContact CG1-CG 4.33Å; V43-M105 HydrophobicContact CG2-CB 4.25Å; V43-M105 HydrophobicContact CG2-CG 4.26Å; V43-M105 HydrophobicContact CG2-SD 4.03Å
44	F	80.2	Confident	76.3	Confident	4 Å²	4	42.7 Å²	42.7	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.7	-179.6	-48.2	-92.8	0	0	0	109.4	H42 I52 H55 I103 I104 T106 I123 L125	H42-F44 HydrophobicContact CB-CE2 4.14Å; H42-F44 HydrophobicContact CB-CZ 4.22Å; F44-I52 HydrophobicContact CB-CD1 4.02Å; F44-I52 HydrophobicContact CB-CG1 4.32Å; F44-I52 HydrophobicContact CB-CG2 4.13Å; F44-I52 HydrophobicContact CD1-CG2 4.43Å; F44-I52 HydrophobicContact CG-CD1 4.49Å; F44-H55 HydrophobicContact CD1-CB 3.89Å; F44-H55 AromaticContact CD1-CD2 3.45Å; F44-H55 VanDerWaalsContact CD1-CD2 3.45Å; F44-H55 WeakPolarHBondContact CD1-CD2 3.27Å; F44-H55 AromaticContact CD1-CG 3.74Å; F44-H55 HydrophobicContact CE1-CB 4.31Å; F44-H55 AromaticContact CE1-CD2 3.27Å; F44-H55 WeakPolarHBondContact CE1-CD2 3.35Å; F44-H55 AromaticContact CE1-CG 3.69Å; F44-H55 AromaticContact CE1-NE2 3.73Å; F44-H55 AromaticContact CZ-CD2 3.86Å; F44-I103 WeakPolarHBondContact O-CA 3.4Å; F44-I104 HydrophobicContact CB-CB 4.28Å; F44-I104 HydrophobicContact CD2-CB 4.16Å; F44-I104 HydrophobicContact CD2-CG2 4.29Å; F44-I104 PolarHBondContact N-O 3.37Å; F44-I104 PolarHBondContact O-N 3.44Å; F44-T106 HydrophobicContact CE2-CG2 4.08Å; F44-I123 HydrophobicContact CZ-CB 4.34Å; F44-I123 HydrophobicContact CZ-CD1 4.36Å; F44-I123 HydrophobicContact CZ-CG2 4.04Å; F44-L125 HydrophobicContact CD1-CD1 3.89Å; F44-L125 HydrophobicContact CD1-CD2 4.19Å; F44-L125 HydrophobicContact CE1-CD1 3.95Å; F44-L125 HydrophobicContact CE1-CD2 4.2Å; F44-L125 HydrophobicContact CE1-CG 4.37Å; F44-L125 HydrophobicContact CG-CD2 4.4Å; F44-L125 HydrophobicContact CZ-CD2 4.41Å
45	L	79.5	Confident	76.8	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	122.8	176.7	-47.8	-173.2	0	0	0	109.5	V43 I52 Y53 E54 F56 L92 I100 I103	V43-L45 HydrophobicContact CG1-CD2 4.17Å; L45-I52 WeakPolarHBondContact O-CA 3.4Å; L45-Y53 HydrophobicContact CB-CD1 4.3Å; L45-Y53 HydrophobicContact CB-CE1 3.72Å; L45-Y53 HydrophobicContact CB-CE2 4.2Å; L45-Y53 HydrophobicContact CD1-CE2 4.22Å; L45-Y53 WeakPolarHBondContact O-CD1 3.35Å; L45-Y53 PolarHBondContact O-N 2.8Å; L45-E54 HydrophobicContact CB-CB 4.2Å; L45-E54 HydrophobicContact CD1-CB 4.01Å; L45-E54 HydrophobicContact CD1-CG 4.07Å; L45-E54 HydrophobicContact CG-CB 4.16Å; L45-E54 HydrophobicContact CG-CG 4.47Å; L45-E54 PolarHBondContact N-O 3.22Å; L45-F56 HydrophobicContact CD1-CE1 4.38Å; L45-F56 HydrophobicContact CD2-CE1 4.31Å; L45-F56 HydrophobicContact CG-CE1 4.31Å; L45-L92 HydrophobicContact CD1-CD2 3.7Å; L45-L92 HydrophobicContact CD2-CD2 3.89Å; L45-L92 HydrophobicContact CG-CD2 4.44Å; L45-I100 HydrophobicContact CD1-CD1 4.33Å; L45-I100 HydrophobicContact CD1-CG1 4.37Å; L45-I100 HydrophobicContact CD2-CD1 4.47Å; L45-I100 HydrophobicContact CD2-CG2 4.44Å; L45-I103 HydrophobicContact CD2-CB 4.47Å; L45-I103 HydrophobicContact CD2-CD1 3.94Å; L45-I103 HydrophobicContact CD2-CG1 3.77Å; L45-I103 HydrophobicContact CD2-CG2 4.13Å
46	M	79.7	Confident	77.3	Confident	9 Å²	9	46.5 Å²	46.5	4%	0.044	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	139.6	177.1	-49.3	-178.8	80.2	0	0	110.5	N50 E51 I52 H101 S102 I104 L130	M46-N50 HydrophobicContact CE-CB 3.82Å; M46-N50 VanDerWaalsContact CE-O 3.26Å; M46-N50 WeakPolarHBondContact CE-O 3.44Å; M46-E51 CarbonylContact C-O 3.58Å; M46-E51 WeakPolarHBondContact CA-O 3.5Å; M46-I52 HydrophobicContact CE-CG1 4.45Å; M46-I52 HydrophobicContact CG-CD1 4.47Å; M46-I52 HydrophobicContact CG-CG1 3.73Å; M46-H101 PolarHBondContact O-N 3.41Å; M46-S102 WeakPolarHBondContact CB-O 3.29Å; M46-S102 PolarHBondContact N-O 2.03Å; M46-S102 PolarHBondContact O-N 3.44Å; M46-I104 HydrophobicContact CE-CD1 4.47Å; M46-I104 HydrophobicContact CG-CD1 4.5Å; M46-I104 HydrophobicContact CG-CG1 4.37Å; M46-I104 HydrophobicContact SD-CD1 3.69Å; M46-I104 HydrophobicContact SD-CG1 3.78Å; M46-L130 HydrophobicContact CE-CD1 4.14Å
47	N	77.8	Confident	77.8	Confident	31 Å²	31	52.4 Å²	52.4	17%	0.166	25%	0.253	C	S	.	.			trans	-85.5	179.7	170.7	73.4	14.8	0	0	0	111.9	K49 N50 E51 Y53 H101	N47-K49 PolarHBondContact O-N 3.36Å; N47-K49 VanDerWaalsContact O-N 3.12Å; N47-K49 WeakPolarHBondContact OD1-CA 3.44Å; N47-K49 WeakPolarHBondContact OD1-CB 3.47Å; N47-K49 PolarHBondContact OD1-N 3.17Å; N47-N50 PolarHBondContact O-N 3.45Å; N47-N50 PolarHBondContact OD1-N 3.31Å; N47-E51 PolarHBondContact N-O 3.25Å; N47-E51 PolarHBondContact ND2-OE2 3.5Å; N47-E51 WeakPolarHBondContact OD1-CB 3.39Å; N47-E51 PolarHBondContact OD1-N 3.37Å; N47-E51 PolarHBondContact OD1-O 3.19Å; N47-Y53 HydrophobicContact CB-CD1 3.91Å; N47-Y53 HydrophobicContact CB-CE1 4.35Å; N47-H101 WeakPolarHBondContact O-CB 3.46Å
48	S	74.4	Confident	78.1	Confident	101 Å²	101	51.3 Å²	51.3	71%	0.706	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-9.8	-179.2	51.7	0	0	0	0	115.4
49	K	76.4	Confident	78.3	Confident	144 Å²	144	50.5 Å²	50.5	63%	0.626	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	3.3	171.6	-56	171.1	178.6	175.5	0	113	N47 E51	N47-K49 PolarHBondContact O-N 3.36Å; N47-K49 VanDerWaalsContact O-N 3.12Å; N47-K49 WeakPolarHBondContact OD1-CA 3.44Å; N47-K49 WeakPolarHBondContact OD1-CB 3.47Å; N47-K49 PolarHBondContact OD1-N 3.17Å; K49-E51 HydrophobicContact CB-CG 3.99Å; K49-E51 HydrophobicContact CD-CG 4.38Å; K49-E51 WeakPolarHBondContact CD-OE1 3.28Å; K49-E51 WeakPolarHBondContact CD-OE2 3.26Å; K49-E51 IonicContact NZ-OE1 2.66Å; K49-E51 PolarHBondContact NZ-OE1 3.42Å; K49-E51 IonicContact NZ-OE2 2.71Å; K49-E51 PolarHBondContact O-N 2.75Å
50	N	70	Confident	78.2	Confident	84 Å²	84	50.7 Å²	50.7	45%	0.449	25%	0.245	S	C	.	.	S	Bend	trans	64.5	18.4	-169.7	-54	-41.2	0	0	0	114.6	M46 N47 H101	M46-N50 HydrophobicContact CE-CB 3.82Å; M46-N50 VanDerWaalsContact CE-O 3.26Å; M46-N50 WeakPolarHBondContact CE-O 3.44Å; N47-N50 PolarHBondContact O-N 3.45Å; N47-N50 PolarHBondContact OD1-N 3.31Å; N50-H101 PolarHBondContact OD1-ND1 3.01Å
51	E	73.1	Confident	77.6	Confident	94 Å²	94	56.5 Å²	56.5	44%	0.439	27%	0.267	S	S	.	.			trans	-78.3	132.9	170	-56.1	159.4	170.8	0	0	108.7	M46 N47 K49	M46-E51 CarbonylContact C-O 3.58Å; M46-E51 WeakPolarHBondContact CA-O 3.5Å; N47-E51 PolarHBondContact N-O 3.25Å; N47-E51 PolarHBondContact ND2-OE2 3.5Å; N47-E51 WeakPolarHBondContact OD1-CB 3.39Å; N47-E51 PolarHBondContact OD1-N 3.37Å; N47-E51 PolarHBondContact OD1-O 3.19Å; K49-E51 HydrophobicContact CB-CG 3.99Å; K49-E51 HydrophobicContact CD-CG 4.38Å; K49-E51 WeakPolarHBondContact CD-OE1 3.28Å; K49-E51 WeakPolarHBondContact CD-OE2 3.26Å; K49-E51 IonicContact NZ-OE1 2.66Å; K49-E51 PolarHBondContact NZ-OE1 3.42Å; K49-E51 IonicContact NZ-OE2 2.71Å; K49-E51 PolarHBondContact O-N 2.75Å
52	I	78.3	Confident	76.5	Confident	60 Å²	60	57.7 Å²	57.7	31%	0.308	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	119.5	172.3	-73.5	164.3	0	0	0	108.4	F44 L45 M46 L125	F44-I52 HydrophobicContact CB-CD1 4.02Å; F44-I52 HydrophobicContact CB-CG1 4.32Å; F44-I52 HydrophobicContact CB-CG2 4.13Å; F44-I52 HydrophobicContact CD1-CG2 4.43Å; F44-I52 HydrophobicContact CG-CD1 4.49Å; L45-I52 WeakPolarHBondContact O-CA 3.4Å; M46-I52 HydrophobicContact CE-CG1 4.45Å; M46-I52 HydrophobicContact CG-CD1 4.47Å; M46-I52 HydrophobicContact CG-CG1 3.73Å; I52-L125 HydrophobicContact CD1-CD1 3.6Å; I52-L125 HydrophobicContact CD1-CD2 3.61Å; I52-L125 HydrophobicContact CD1-CG 4.08Å
53	Y	76.4	Confident	75.1	Confident	76 Å²	76	64.8 Å²	64.8	30%	0.298	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-12.2	-173.2	73.5	-97.3	0	0	0	113.5	L45 N47 K96 I100	L45-Y53 HydrophobicContact CB-CD1 4.3Å; L45-Y53 HydrophobicContact CB-CE1 3.72Å; L45-Y53 HydrophobicContact CB-CE2 4.2Å; L45-Y53 HydrophobicContact CD1-CE2 4.22Å; L45-Y53 WeakPolarHBondContact O-CD1 3.35Å; L45-Y53 PolarHBondContact O-N 2.8Å; N47-Y53 HydrophobicContact CB-CD1 3.91Å; N47-Y53 HydrophobicContact CB-CE1 4.35Å; Y53-K96 HydrophobicContact CE2-CD 4.25Å; Y53-I100 WeakPolarHBondContact OH-CG1 3.49Å
54	E	79.8	Confident	73.4	Confident	55 Å²	55	69.7 Å²	69.7	26%	0.257	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	135.4	-179.6	-176.6	161.7	-156.5	0	0	109.9	L45 F56 K96	L45-E54 HydrophobicContact CB-CB 4.2Å; L45-E54 HydrophobicContact CD1-CB 4.01Å; L45-E54 HydrophobicContact CD1-CG 4.07Å; L45-E54 HydrophobicContact CG-CB 4.16Å; L45-E54 HydrophobicContact CG-CG 4.47Å; L45-E54 PolarHBondContact N-O 3.22Å; E54-F56 HydrophobicContact CG-CD1 4.4Å; E54-K96 IonicContact OE1-NZ 2.74Å; E54-K96 PolarHBondContact OE1-NZ 3.24Å; E54-K96 WeakPolarHBondContact OE2-CD 3.37Å; E54-K96 WeakPolarHBondContact OE2-CE 3.46Å; E54-K96 IonicContact OE2-NZ 2.7Å; E54-K96 PolarHBondContact OE2-NZ 3.36Å
55	H	81.2	Confident	71.5	Confident	76 Å²	76	72.5 Å²	72.5	35%	0.352	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	139.8	176.4	164.4	-119.4	0	0	0	108.9	H42 V43 F44	H42-H55 AromaticContact ND1-NE2 3.49Å; H42-H55 PolarHBondContact ND1-NE2 3.36Å; V43-H55 WeakPolarHBondContact O-CA 3.11Å; V43-H55 PolarHBondContact O-CD2 3.26Å; F44-H55 HydrophobicContact CD1-CB 3.89Å; F44-H55 AromaticContact CD1-CD2 3.45Å; F44-H55 VanDerWaalsContact CD1-CD2 3.45Å; F44-H55 WeakPolarHBondContact CD1-CD2 3.27Å; F44-H55 AromaticContact CD1-CG 3.74Å; F44-H55 HydrophobicContact CE1-CB 4.31Å; F44-H55 AromaticContact CE1-CD2 3.27Å; F44-H55 WeakPolarHBondContact CE1-CD2 3.35Å; F44-H55 AromaticContact CE1-CG 3.69Å; F44-H55 AromaticContact CE1-NE2 3.73Å; F44-H55 AromaticContact CZ-CD2 3.86Å
56	F	81	Confident	69.2	Low	57 Å²	57	81.5 Å²	81.5	25%	0.25	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	171.4	171.8	57.1	-90.6	0	0	0	110.2	V43 L45 E54 I58 M88 L92	V43-F56 HydrophobicContact CB-CD2 4.05Å; V43-F56 HydrophobicContact CB-CE1 4.18Å; V43-F56 HydrophobicContact CB-CE2 3.59Å; V43-F56 HydrophobicContact CB-CZ 3.67Å; V43-F56 HydrophobicContact CG1-CE1 4.06Å; V43-F56 HydrophobicContact CG1-CE2 3.97Å; V43-F56 HydrophobicContact CG1-CZ 3.55Å; V43-F56 HydrophobicContact CG2-CD2 4.3Å; V43-F56 HydrophobicContact CG2-CE2 3.74Å; V43-F56 HydrophobicContact CG2-CZ 4.21Å; V43-F56 PolarHBondContact N-O 3.3Å; V43-F56 PolarHBondContact O-N 3.16Å; L45-F56 HydrophobicContact CD1-CE1 4.38Å; L45-F56 HydrophobicContact CD2-CE1 4.31Å; L45-F56 HydrophobicContact CG-CE1 4.31Å; E54-F56 HydrophobicContact CG-CD1 4.4Å; F56-I58 HydrophobicContact CD2-CD1 4.27Å; F56-I58 HydrophobicContact CD2-CG1 4.39Å; F56-I58 HydrophobicContact CE2-CD1 3.87Å; F56-I58 HydrophobicContact CE2-CG1 4.47Å; F56-M88 HydrophobicContact CE2-CG 3.87Å; F56-M88 HydrophobicContact CE2-SD 3.94Å; F56-M88 HydrophobicContact CZ-CG 4.11Å; F56-M88 HydrophobicContact CZ-SD 4.3Å; F56-L92 HydrophobicContact CE1-CD2 4.09Å; F56-L92 HydrophobicContact CZ-CD1 4.33Å; F56-L92 HydrophobicContact CZ-CD2 4.03Å; F56-L92 HydrophobicContact CZ-CG 4.39Å
57	Y	81.3	Confident	66.9	Low	124 Å²	124	86.8 Å²	86.8	49%	0.486	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	157.6	173.1	65.1	-93.6	0	0	0	111.9	K40 L41	K40-Y57 HydrophobicContact CD-CD2 4.44Å; K40-Y57 HydrophobicContact CG-CD2 4.21Å; L41-Y57 CarbonylContact O-C 3.46Å; L41-Y57 VanDerWaalsContact O-CA 3.23Å; L41-Y57 WeakPolarHBondContact O-CA 3.45Å
58	I	79.6	Confident	64.7	Low	46 Å²	46	93.5 Å²	93.5	24%	0.236	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128.1	178	-68	153.2	0	0	0	109.6	K40 L41 F56 L60 M88	K40-I58 CarbonylContact C-O 3.58Å; K40-I58 WeakPolarHBondContact CA-O 3.45Å; L41-I58 HydrophobicContact CB-CB 4.49Å; L41-I58 PolarHBondContact N-O 2.94Å; L41-I58 PolarHBondContact O-N 2.95Å; F56-I58 HydrophobicContact CD2-CD1 4.27Å; F56-I58 HydrophobicContact CD2-CG1 4.39Å; F56-I58 HydrophobicContact CE2-CD1 3.87Å; F56-I58 HydrophobicContact CE2-CG1 4.47Å; I58-L60 HydrophobicContact CG2-CD2 4.33Å; I58-L60 PolarHBondContact O-N 3.46Å; I58-M88 HydrophobicContact CD1-CB 3.55Å; I58-M88 HydrophobicContact CD1-CG 3.48Å; I58-M88 VanDerWaalsContact CD1-CG 3.48Å; I58-M88 HydrophobicContact CD1-SD 3.28Å; I58-M88 WeakPolarHBondContact CD1-SD 3.42Å
59	N	78.3	Confident	63.1	Low	54 Å²	54	93.8 Å²	93.8	29%	0.289	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	121.1	170	-65.1	-4	0	0	0	109.5	Y61	N59-Y61 HydrophobicContact CB-CD2 4.3Å; N59-Y61 HydrophobicContact CB-CE1 4.3Å; N59-Y61 HydrophobicContact CB-CE2 3.57Å; N59-Y61 PolarHBondContact ND2-OH 3.32Å; N59-Y61 VanDerWaalsContact ND2-OH 3.11Å; N59-Y61 WeakPolarHBondContact O-CD2 3.48Å; N59-Y61 PolarHBondContact O-N 3.49Å; N59-Y61 VanDerWaalsContact O-N 3.12Å
60	L	73.5	Confident	61.2	Low	4 Å²	4	95.6 Å²	95.6	2%	0.021	46%	0.456	C	S	.	.			trans	-87.9	75.9	-172.8	-68.4	-178.2	0	0	0	112.7	P36 L39 L41 I58 N62 W83 I85 L107	P36-L60 VanDerWaalsContact O-O 3.12Å; L39-L60 HydrophobicContact CB-CB 4.49Å; L39-L60 HydrophobicContact CB-CD1 4.27Å; L39-L60 WeakPolarHBondContact O-CB 3.17Å; L39-L60 PolarHBondContact O-N 3.33Å; L41-L60 HydrophobicContact CB-CD1 3.97Å; L41-L60 HydrophobicContact CB-CD2 3.87Å; L41-L60 HydrophobicContact CB-CG 3.9Å; L41-L60 HydrophobicContact CD2-CD2 4.11Å; I58-L60 HydrophobicContact CG2-CD2 4.33Å; I58-L60 PolarHBondContact O-N 3.46Å; L60-N62 PolarHBondContact O-N 3.05Å; L60-W83 HydrophobicContact CB-CD2 4.25Å; L60-W83 HydrophobicContact CB-CG 4.02Å; L60-W83 HydrophobicContact CD1-CD2 3.93Å; L60-W83 HydrophobicContact CD1-CE3 4.16Å; L60-W83 HydrophobicContact CD1-CG 4.34Å; L60-W83 HydrophobicContact CD1-CH2 4.37Å; L60-W83 HydrophobicContact CD1-CZ2 4.17Å; L60-W83 HydrophobicContact CD1-CZ3 4.37Å; L60-W83 HydrophobicContact CD2-CB 4.17Å; L60-W83 HydrophobicContact CD2-CG 4.23Å; L60-W83 HydrophobicContact CG-CG 4.46Å; L60-W83 VanDerWaalsContact O-CD1 3.31Å; L60-W83 PolarHBondContact O-NE1 2.97Å; L60-W83 VanDerWaalsContact O-NE1 3.13Å; L60-I85 HydrophobicContact CD2-CG2 4.31Å; L60-L107 HydrophobicContact CD1-CD2 3.39Å
61	Y	67.7	Low	60.2	Low	158 Å²	158	95.2 Å²	95.2	62%	0.62	45%	0.449	S	S	*	.			trans	-69.6	118.7	173.4	-53.3	-69.8	0	0	0	111.3	N59 K63	N59-Y61 HydrophobicContact CB-CD2 4.3Å; N59-Y61 HydrophobicContact CB-CE1 4.3Å; N59-Y61 HydrophobicContact CB-CE2 3.57Å; N59-Y61 PolarHBondContact ND2-OH 3.32Å; N59-Y61 VanDerWaalsContact ND2-OH 3.11Å; N59-Y61 WeakPolarHBondContact O-CD2 3.48Å; N59-Y61 PolarHBondContact O-N 3.49Å; N59-Y61 VanDerWaalsContact O-N 3.12Å; Y61-K63 PolarHBondContact O-N 3.05Å
62	N	57	Low	58.5	Low	25 Å²	25	95.3 Å²	95.3	13%	0.134	46%	0.46	C	S	.	.			trans	-78.5	108.1	178.2	-177.8	-3.6	0	0	0	111	N37 L60 T64 I65	N37-N62 VanDerWaalsContact OD1-CB 3.32Å; N37-N62 WeakPolarHBondContact OD1-CB 3.43Å; N37-N62 PolarHBondContact OD1-N 2.83Å; L60-N62 PolarHBondContact O-N 3.05Å; N62-T64 PolarHBondContact O-N 3.25Å; N62-T64 WeakPolarHBondContact OD1-CA 3.48Å; N62-T64 PolarHBondContact OD1-N 3.43Å; N62-T64 PolarHBondContact OD1-OG1 3.21Å; N62-I65 WeakPolarHBondContact ND2-CD1 3.39Å
63	K	53.8	Low	56.7	Low	158 Å²	158	99.1 Å²	99.1	69%	0.687	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-13.2	176.2	-74.3	-175.5	176	177.2	0	114.6	Y61 D84	Y61-K63 PolarHBondContact O-N 3.05Å; K63-D84 HydrophobicContact CD-CB 4.16Å; K63-D84 IonicContact NZ-OD2 2.69Å; K63-D84 PolarHBondContact NZ-OD2 3.07Å
64	T	42.5	Very low	55.3	Low	103 Å²	103	99.2 Å²	99.2	63%	0.632	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	37.6	-165.5	35.6	0	0	0	0	114	N62	N62-T64 PolarHBondContact O-N 3.25Å; N62-T64 WeakPolarHBondContact OD1-CA 3.48Å; N62-T64 PolarHBondContact OD1-N 3.43Å; N62-T64 PolarHBondContact OD1-OG1 3.21Å
65	I	39.3	Very low	53.8	Low	63 Å²	63	107.1 Å²	107.1	32%	0.323	52%	0.519	S	S	.	.			trans	-136.1	86.2	163.8	-53.4	178.3	0	0	0	109.8	N62 N67 Y71	N62-I65 WeakPolarHBondContact ND2-CD1 3.39Å; I65-N67 VanDerWaalsContact CG2-O 3.28Å; I65-N67 WeakPolarHBondContact CG2-O 3.45Å; I65-Y71 HydrophobicContact CD1-CE1 4.16Å; I65-Y71 VanDerWaalsContact CD1-OH 3.29Å; I65-Y71 WeakPolarHBondContact CD1-OH 3.09Å
66	Q	31.4	Very low	52.6	Low	190 Å²	190	109.1 Å²	109.1	89%	0.888	53%	0.532	S	S	*	.			trans	-79.5	104.6	144.4	-81.5	-177.2	-58.7	0	0	106.5
67	N	31.6	Very low	51.8	Low	120 Å²	120	113.3 Å²	113.3	64%	0.642	55%	0.55	S	S	*	*	S	Bend	trans	157	134.5	157.5	-84.3	-18	0	0	0	109.2	I65 L69	I65-N67 VanDerWaalsContact CG2-O 3.28Å; I65-N67 WeakPolarHBondContact CG2-O 3.45Å; N67-L69 HydrophobicContact CB-CD1 4.48Å; N67-L69 HydrophobicContact CB-CG 4.26Å; N67-L69 PolarHBondContact O-N 2.86Å
68	D	32.7	Very low	51.1	Low	171 Å²	171	109.7 Å²	109.7	91%	0.914	54%	0.536	S	S	*	.			trans	-74.9	55.9	178.3	-64.6	-72.2	0	0	0	113.3	K70	D68-K70 PolarHBondContact O-N 2.92Å
69	L	39.4	Very low	50.4	Low	108 Å²	108	108.9 Å²	108.9	57%	0.565	53%	0.53	S	S	*	.			trans	-69.5	94.9	176.1	-76.8	168.6	0	0	0	110.2	N67 Y71	N67-L69 HydrophobicContact CB-CD1 4.48Å; N67-L69 HydrophobicContact CB-CG 4.26Å; N67-L69 PolarHBondContact O-N 2.86Å; L69-Y71 HydrophobicContact CB-CE1 4.47Å; L69-Y71 VanDerWaalsContact O-CD1 3.23Å; L69-Y71 WeakPolarHBondContact O-CD1 3.46Å; L69-Y71 WeakPolarHBondContact O-CE1 3.36Å; L69-Y71 PolarHBondContact O-N 2.91Å
70	K	38.3	Very low	50	Low	182 Å²	182	110.9 Å²	110.9	79%	0.791	54%	0.538	S	S	*	.			trans	-46.9	107.4	164.6	-69.7	179	177.2	177.1	0	109.3	D68 S72	D68-K70 PolarHBondContact O-N 2.92Å; K70-S72 PolarHBondContact O-N 3.28Å
71	Y	47.4	Very low	49.8	Very low	75 Å²	75	111 Å²	111	29%	0.294	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	6.9	-167	-62	-61	0	0	0	115.6	I65 L69	I65-Y71 HydrophobicContact CD1-CE1 4.16Å; I65-Y71 VanDerWaalsContact CD1-OH 3.29Å; I65-Y71 WeakPolarHBondContact CD1-OH 3.09Å; L69-Y71 HydrophobicContact CB-CE1 4.47Å; L69-Y71 VanDerWaalsContact O-CD1 3.23Å; L69-Y71 WeakPolarHBondContact O-CD1 3.46Å; L69-Y71 WeakPolarHBondContact O-CE1 3.36Å; L69-Y71 PolarHBondContact O-N 2.91Å
72	S	39	Very low	50.1	Low	96 Å²	96	106.9 Å²	106.9	67%	0.671	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-22.9	-174.7	51.9	0	0	0	0	115.2	K70	K70-S72 PolarHBondContact O-N 3.28Å
73	N	40.3	Very low	51.2	Low	141 Å²	141	105.8 Å²	105.8	75%	0.754	52%	0.52	S	S	*	.			trans	-111.2	8.7	-160.8	-68.9	26.7	0	0	0	115.6	K75	N73-K75 PolarHBondContact O-N 2.83Å
74	I	45.3	Very low	52.5	Low	77 Å²	77	101 Å²	101	40%	0.395	50%	0.503	S	S	.	.			trans	-82.8	112.6	-177.9	-58.2	175.5	0	0	0	109.9	L76	I74-L76 HydrophobicContact CG2-CB 4.14Å; I74-L76 HydrophobicContact CG2-CG 4.5Å; I74-L76 PolarHBondContact O-N 3.25Å
75	K	50.2	Low	54.4	Low	221 Å²	221	96.3 Å²	96.3	96%	0.961	47%	0.473	S	S	*	.	S	Bend	trans	-56.7	-11.3	-179.9	-79.3	-173.5	174.8	-179.3	0	115.8	N73	N73-K75 PolarHBondContact O-N 2.83Å
76	L	54.5	Low	56.4	Low	119 Å²	119	93.7 Å²	93.7	62%	0.623	46%	0.461	S	S	*	.			trans	-88.2	127.8	-179.8	-61	172.9	0	0	0	110.8	S32 I74 Y78	S32-L76 VanDerWaalsContact CB-O 3.23Å; S32-L76 WeakPolarHBondContact CB-O 2.96Å; S32-L76 PolarHBondContact OG-O 3.12Å; I74-L76 HydrophobicContact CG2-CB 4.14Å; I74-L76 HydrophobicContact CG2-CG 4.5Å; I74-L76 PolarHBondContact O-N 3.25Å; L76-Y78 WeakPolarHBondContact CB-O 3.26Å; L76-Y78 PolarHBondContact O-N 3.18Å
77	K	64	Low	58.7	Low	144 Å²	144	88.7 Å²	88.7	63%	0.626	45%	0.446	S	S	*	.	S	Bend	trans	-61	-22.2	176.7	-173.9	174.9	177	178.2	0	113.6	H31 S32	H31-K77 PolarHBondContact ND1-O 2.71Å; S32-K77 PolarHBondContact N-O 2.74Å; S32-K77 PolarHBondContact OG-O 2.99Å
78	Y	67.1	Low	61.1	Low	48 Å²	48	83.6 Å²	83.6	19%	0.188	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	151.9	-178.9	-59	-74.6	0	0	0	110.7	I30 H31 L76 S224	I30-Y78 CarbonylContact O-C 3.48Å; I30-Y78 VanDerWaalsContact O-CA 3.28Å; I30-Y78 WeakPolarHBondContact O-CA 3.5Å; H31-Y78 AromaticContact CD2-CE1 3.72Å; H31-Y78 AromaticContact CE1-CE1 3.16Å; H31-Y78 WeakPolarHBondContact CE1-CE1 3.22Å; H31-Y78 AromaticContact CE1-CZ 3.34Å; H31-Y78 PolarHBondContact CE1-OH 3.01Å; H31-Y78 AromaticContact CG-CE1 3.66Å; H31-Y78 AromaticContact ND1-CD1 3.75Å; H31-Y78 AromaticContact ND1-CE1 3.3Å; H31-Y78 VanDerWaalsContact ND1-CE1 3.3Å; H31-Y78 WeakPolarHBondContact ND1-CE1 3.25Å; H31-Y78 AromaticContact ND1-CZ 3.85Å; H31-Y78 AromaticContact NE2-CE1 3.39Å; H31-Y78 WeakPolarHBondContact NE2-CE1 3.38Å; H31-Y78 AromaticContact NE2-CZ 3.77Å; H31-Y78 PolarHBondContact NE2-OH 3.37Å; L76-Y78 WeakPolarHBondContact CB-O 3.26Å; L76-Y78 PolarHBondContact O-N 3.18Å; Y78-S224 VanDerWaalsContact CE1-CA 3.48Å; Y78-S224 WeakPolarHBondContact CE2-OG 3.37Å; Y78-S224 VanDerWaalsContact CZ-CB 3.49Å; Y78-S224 VanDerWaalsContact CZ-OG 3.22Å
79	R	64.6	Low	63.3	Low	30 Å²	30	75.8 Å²	75.8	11%	0.113	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.7	172.9	55.1	170.9	161.9	-170.5	-13	110.8	Y29 I30 S32 I34 V81	Y29-R79 VanDerWaalsContact CA-O 3.3Å; Y29-R79 WeakPolarHBondContact CA-O 3.39Å; I30-R79 HydrophobicContact CG1-CG 3.97Å; I30-R79 PolarHBondContact N-O 3.44Å; I30-R79 VanDerWaalsContact N-O 3.09Å; I30-R79 PolarHBondContact O-N 3.49Å; S32-R79 PolarHBondContact O-NH2 2.87Å; S32-R79 VanDerWaalsContact O-NH2 3.07Å; I34-R79 PolarHBondContact O-NH2 3.48Å; R79-V81 HydrophobicContact CG-CG2 4.23Å
80	Q	70.5	Confident	65.2	Low	96 Å²	96	73.2 Å²	73.2	45%	0.449	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	135.3	166.1	-167.9	178.2	6.7	0	0	108.9	T28 Y29	T28-Q80 CarbonylContact O-C 3.56Å; T28-Q80 WeakPolarHBondContact O-CA 3.34Å; Y29-Q80 HydrophobicContact CD1-CB 4.11Å; Y29-Q80 HydrophobicContact CE1-CB 3.73Å; Y29-Q80 HydrophobicContact CE1-CG 4.44Å; Y29-Q80 HydrophobicContact CE2-CG 4.43Å
81	V	69.3	Low	67.1	Low	6 Å²	6	69.4 Å²	69.4	4%	0.036	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.5	166.9	-177.4	0	0	0	0	108.6	S27 T28 I30 P36 R79 W83	S27-V81 WeakPolarHBondContact CA-O 3.41Å; S27-V81 WeakPolarHBondContact CB-O 3.35Å; T28-V81 PolarHBondContact N-O 3.21Å; T28-V81 VanDerWaalsContact N-O 3.09Å; T28-V81 PolarHBondContact O-N 2.82Å; I30-V81 HydrophobicContact CD1-CG2 3.75Å; I30-V81 HydrophobicContact CG1-CG2 3.81Å; P36-V81 HydrophobicContact CB-CG1 3.92Å; P36-V81 HydrophobicContact CB-CG2 4.13Å; P36-V81 HydrophobicContact CG-CG2 4.07Å; R79-V81 HydrophobicContact CG-CG2 4.23Å; V81-W83 HydrophobicContact CB-CH2 3.99Å; V81-W83 HydrophobicContact CB-CZ2 4Å; V81-W83 HydrophobicContact CB-CZ3 4.29Å; V81-W83 HydrophobicContact CG1-CD2 3.77Å; V81-W83 HydrophobicContact CG1-CE3 4.16Å; V81-W83 HydrophobicContact CG1-CG 4.39Å; V81-W83 HydrophobicContact CG1-CH2 3.97Å; V81-W83 HydrophobicContact CG1-CZ2 3.5Å; V81-W83 HydrophobicContact CG1-CZ3 4.27Å
82	I	74.7	Confident	68.6	Low	71 Å²	71	66.4 Å²	66.4	36%	0.364	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.3	177.1	-48.9	-177.4	0	0	0	107.2	T25 I26	T25-I82 HydrophobicContact CG2-CG2 4.08Å; I26-I82 WeakPolarHBondContact O-CA 3.45Å
83	W	80.1	Confident	70.1	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.008	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.3	174.6	-58.7	-85.8	0	0	0	110.8	T25 I26 T28 I30 P36 L39 L60 V81	T25-W83 CarbonylContact C-O 3.57Å; T25-W83 WeakPolarHBondContact CA-O 3.4Å; T25-W83 WeakPolarHBondContact CB-O 3.32Å; I26-W83 HydrophobicContact CG2-CB 4Å; I26-W83 HydrophobicContact CG2-CE3 4.19Å; I26-W83 PolarHBondContact N-O 3.24Å; I26-W83 PolarHBondContact O-N 3.39Å; T28-W83 HydrophobicContact CG2-CH2 4.26Å; T28-W83 HydrophobicContact CG2-CZ3 3.89Å; I30-W83 HydrophobicContact CG2-CH2 4.08Å; P36-W83 HydrophobicContact CB-CZ2 4.06Å; P36-W83 PolarHBondContact O-NE1 3.2Å; L39-W83 HydrophobicContact CD1-CH2 3.96Å; L39-W83 HydrophobicContact CD1-CZ2 3.73Å; L60-W83 HydrophobicContact CB-CD2 4.25Å; L60-W83 HydrophobicContact CB-CG 4.02Å; L60-W83 HydrophobicContact CD1-CD2 3.93Å; L60-W83 HydrophobicContact CD1-CE3 4.16Å; L60-W83 HydrophobicContact CD1-CG 4.34Å; L60-W83 HydrophobicContact CD1-CH2 4.37Å; L60-W83 HydrophobicContact CD1-CZ2 4.17Å; L60-W83 HydrophobicContact CD1-CZ3 4.37Å; L60-W83 HydrophobicContact CD2-CB 4.17Å; L60-W83 HydrophobicContact CD2-CG 4.23Å; L60-W83 HydrophobicContact CG-CG 4.46Å; L60-W83 VanDerWaalsContact O-CD1 3.31Å; L60-W83 PolarHBondContact O-NE1 2.97Å; L60-W83 VanDerWaalsContact O-NE1 3.13Å; V81-W83 HydrophobicContact CB-CH2 3.99Å; V81-W83 HydrophobicContact CB-CZ2 4Å; V81-W83 HydrophobicContact CB-CZ3 4.29Å; V81-W83 HydrophobicContact CG1-CD2 3.77Å; V81-W83 HydrophobicContact CG1-CE3 4.16Å; V81-W83 HydrophobicContact CG1-CG 4.39Å; V81-W83 HydrophobicContact CG1-CH2 3.97Å; V81-W83 HydrophobicContact CG1-CZ2 3.5Å; V81-W83 HydrophobicContact CG1-CZ3 4.27Å
84	D	80.8	Confident	71.6	Confident	59 Å²	59	64.4 Å²	64.4	32%	0.316	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	110.8	175	174.6	15.7	0	0	0	110.2	K63 S86	K63-D84 HydrophobicContact CD-CB 4.16Å; K63-D84 IonicContact NZ-OD2 2.69Å; K63-D84 PolarHBondContact NZ-OD2 3.07Å; D84-S86 WeakPolarHBondContact OD1-CB 3.49Å; D84-S86 PolarHBondContact OD1-N 3.2Å; D84-S86 PolarHBondContact OD1-OG 3.2Å
85	I	82	Confident	72.6	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.021	31%	0.313	C	S	.	.			trans	-110.2	18.5	177.2	55.6	164.5	0	0	0	111.9	A24 I26 L41 L60 S87 M88 I89 L231	A24-I85 HydrophobicContact CB-CG1 4.07Å; A24-I85 PolarHBondContact O-N 3.15Å; I26-I85 HydrophobicContact CB-CD1 3.85Å; I26-I85 HydrophobicContact CB-CG1 4.34Å; I26-I85 HydrophobicContact CG2-CD1 3.98Å; I26-I85 HydrophobicContact CG2-CG1 4.12Å; I26-I85 HydrophobicContact CG2-CG2 3.66Å; L41-I85 HydrophobicContact CD2-CG2 4.23Å; L60-I85 HydrophobicContact CD2-CG2 4.31Å; I85-S87 PolarHBondContact O-N 3.16Å; I85-S87 VanDerWaalsContact O-N 3.13Å; I85-M88 HydrophobicContact CD1-CE 3.95Å; I85-M88 PolarHBondContact O-N 2.8Å; I85-I89 HydrophobicContact CD1-CD1 4.47Å; I85-I89 HydrophobicContact CD1-CG1 4.15Å; I85-I89 HydrophobicContact CG1-CG1 4.33Å; I85-I89 PolarHBondContact O-N 3.42Å; I85-I89 VanDerWaalsContact O-N 3.07Å; I85-L231 HydrophobicContact CD1-CD1 3.72Å
86	S	81.7	Confident	73.4	Confident	8 Å²	8	57.1 Å²	57.1	6%	0.056	28%	0.283	C	S	.	.	H	α-helix	trans	-54.8	-33.8	-179.5	-54.9	0	0	0	0	113.2	L23 A24 D84 K90	L23-S86 WeakPolarHBondContact CA-OG 3.49Å; A24-S86 PolarHBondContact N-OG 3.49Å; A24-S86 PolarHBondContact O-N 3.01Å; A24-S86 PolarHBondContact O-OG 2.65Å; D84-S86 WeakPolarHBondContact OD1-CB 3.49Å; D84-S86 PolarHBondContact OD1-N 3.2Å; D84-S86 PolarHBondContact OD1-OG 3.2Å; S86-K90 WeakPolarHBondContact O-CB 3.39Å; S86-K90 VanDerWaalsContact O-CD 3.28Å; S86-K90 WeakPolarHBondContact O-CD 3.49Å; S86-K90 WeakPolarHBondContact O-CG 3.5Å; S86-K90 PolarHBondContact O-N 3.11Å
87	S	80.3	Confident	74.1	Confident	84 Å²	84	54.1 Å²	54.1	59%	0.587	26%	0.264	S	S	*	.	H	α-helix	trans	-67	-50.8	178.6	-166.6	0	0	0	0	111.6	I85 I89 K90 N91	I85-S87 PolarHBondContact O-N 3.16Å; I85-S87 VanDerWaalsContact O-N 3.13Å; S87-I89 PolarHBondContact O-N 3.15Å; S87-K90 PolarHBondContact O-N 3.02Å; S87-N91 VanDerWaalsContact O-CG 3.27Å; S87-N91 PolarHBondContact O-N 2.97Å; S87-N91 PolarHBondContact O-OD1 2.88Å
88	M	81.8	Confident	74.2	Confident	13 Å²	13	54.8 Å²	54.8	6%	0.064	27%	0.269	C	S	.	.	H	α-helix	trans	-55	-51.6	175	-180	-169.4	83.8	0	0	111.6	V43 F56 I58 I85 K90 N91 L92 M105	V43-M88 HydrophobicContact CG2-SD 3.84Å; F56-M88 HydrophobicContact CE2-CG 3.87Å; F56-M88 HydrophobicContact CE2-SD 3.94Å; F56-M88 HydrophobicContact CZ-CG 4.11Å; F56-M88 HydrophobicContact CZ-SD 4.3Å; I58-M88 HydrophobicContact CD1-CB 3.55Å; I58-M88 HydrophobicContact CD1-CG 3.48Å; I58-M88 VanDerWaalsContact CD1-CG 3.48Å; I58-M88 HydrophobicContact CD1-SD 3.28Å; I58-M88 WeakPolarHBondContact CD1-SD 3.42Å; I85-M88 HydrophobicContact CD1-CE 3.95Å; I85-M88 PolarHBondContact O-N 2.8Å; M88-K90 VanDerWaalsContact C-N 3.32Å; M88-K90 PolarHBondContact O-N 2.99Å; M88-N91 PolarHBondContact O-N 2.96Å; M88-N91 VanDerWaalsContact O-N 3.17Å; M88-L92 HydrophobicContact CE-CD1 4.12Å; M88-L92 HydrophobicContact CG-CD1 3.91Å; M88-L92 HydrophobicContact CG-CG 4.41Å; M88-L92 WeakPolarHBondContact O-CG 3.3Å; M88-L92 PolarHBondContact O-N 3.1Å; M88-L92 HydrophobicContact SD-CD1 4.41Å; M88-M105 HydrophobicContact CE-CE 3.77Å; M88-M105 HydrophobicContact CE-SD 4.13Å
89	I	78.7	Confident	74.4	Confident	7 Å²	7	56.7 Å²	56.7	4%	0.036	28%	0.282	C	S	.	.	H	α-helix	trans	-64.3	-38.7	-175.2	-67	-65	0	0	0	111.1	I21 A24 I85 S87 L92 Q93 M233	I21-I89 HydrophobicContact CB-CG2 4.05Å; I21-I89 HydrophobicContact CD1-CG2 3.34Å; I21-I89 HydrophobicContact CG1-CG2 4.27Å; I21-I89 HydrophobicContact CG2-CG2 4.06Å; A24-I89 HydrophobicContact CB-CB 3.98Å; A24-I89 HydrophobicContact CB-CG1 3.67Å; A24-I89 HydrophobicContact CB-CG2 4.24Å; I85-I89 HydrophobicContact CD1-CD1 4.47Å; I85-I89 HydrophobicContact CD1-CG1 4.15Å; I85-I89 HydrophobicContact CG1-CG1 4.33Å; I85-I89 PolarHBondContact O-N 3.42Å; I85-I89 VanDerWaalsContact O-N 3.07Å; S87-I89 PolarHBondContact O-N 3.15Å; I89-L92 HydrophobicContact CD1-CD1 4.5Å; I89-L92 PolarHBondContact O-N 2.59Å; I89-Q93 WeakPolarHBondContact O-CB 3.33Å; I89-Q93 WeakPolarHBondContact O-CG 3.37Å; I89-Q93 PolarHBondContact O-N 2.87Å; I89-M233 HydrophobicContact CD1-SD 4.4Å; I89-M233 HydrophobicContact CG2-SD 4.36Å
90	K	78.4	Confident	74.7	Confident	55 Å²	55	55.8 Å²	55.8	24%	0.239	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-45.3	172.9	-73.6	165.3	-169	172.7	0	111.5	I21 H22 S86 S87 M88 L92 Q93 Y94	I21-K90 WeakPolarHBondContact O-CE 3.24Å; H22-K90 VanDerWaalsContact O-CE 3.28Å; H22-K90 WeakPolarHBondContact O-CE 3.49Å; H22-K90 PolarHBondContact O-NZ 3.44Å; S86-K90 WeakPolarHBondContact O-CB 3.39Å; S86-K90 VanDerWaalsContact O-CD 3.28Å; S86-K90 WeakPolarHBondContact O-CD 3.49Å; S86-K90 WeakPolarHBondContact O-CG 3.5Å; S86-K90 PolarHBondContact O-N 3.11Å; S87-K90 PolarHBondContact O-N 3.02Å; M88-K90 VanDerWaalsContact C-N 3.32Å; M88-K90 PolarHBondContact O-N 2.99Å; K90-L92 VanDerWaalsContact C-N 3.34Å; K90-L92 PolarHBondContact O-N 3.4Å; K90-Q93 PolarHBondContact O-N 2.92Å; K90-Y94 WeakPolarHBondContact O-CD2 3.39Å; K90-Y94 PolarHBondContact O-N 3.38Å
91	N	79.4	Confident	74.8	Confident	102 Å²	102	54 Å²	54	55%	0.545	27%	0.271	S	S	.	.	H	α-helix	trans	-61.9	-41.6	178.8	-67.7	-3.6	0	0	0	111.9	S87 M88 Y94 S95	S87-N91 VanDerWaalsContact O-CG 3.27Å; S87-N91 PolarHBondContact O-N 2.97Å; S87-N91 PolarHBondContact O-OD1 2.88Å; M88-N91 PolarHBondContact O-N 2.96Å; M88-N91 VanDerWaalsContact O-N 3.17Å; N91-Y94 PolarHBondContact O-N 3.27Å; N91-S95 PolarHBondContact O-N 2.91Å; N91-S95 VanDerWaalsContact O-N 3.08Å; N91-S95 PolarHBondContact O-OG 3.43Å; N91-S95 VanDerWaalsContact O-OG 3.07Å
92	L	77.4	Confident	75	Confident	12 Å²	12	54.4 Å²	54.4	6%	0.063	27%	0.274	C	S	.	.	H	α-helix	trans	-64.5	-41.7	174.2	-71.4	171.7	0	0	0	112.7	L45 F56 M88 I89 K90 Y94 Y97 I100 I103	L45-L92 HydrophobicContact CD1-CD2 3.7Å; L45-L92 HydrophobicContact CD2-CD2 3.89Å; L45-L92 HydrophobicContact CG-CD2 4.44Å; F56-L92 HydrophobicContact CE1-CD2 4.09Å; F56-L92 HydrophobicContact CZ-CD1 4.33Å; F56-L92 HydrophobicContact CZ-CD2 4.03Å; F56-L92 HydrophobicContact CZ-CG 4.39Å; M88-L92 HydrophobicContact CE-CD1 4.12Å; M88-L92 HydrophobicContact CG-CD1 3.91Å; M88-L92 HydrophobicContact CG-CG 4.41Å; M88-L92 WeakPolarHBondContact O-CG 3.3Å; M88-L92 PolarHBondContact O-N 3.1Å; M88-L92 HydrophobicContact SD-CD1 4.41Å; I89-L92 HydrophobicContact CD1-CD1 4.5Å; I89-L92 PolarHBondContact O-N 2.59Å; K90-L92 VanDerWaalsContact C-N 3.34Å; K90-L92 PolarHBondContact O-N 3.4Å; L92-Y94 VanDerWaalsContact C-N 3.29Å; L92-Y94 PolarHBondContact O-N 3.21Å; L92-Y97 PolarHBondContact O-N 3.43Å; L92-I100 HydrophobicContact CD2-CD1 4.24Å; L92-I103 HydrophobicContact CD1-CD1 4.09Å
93	Q	71.6	Confident	75	Confident	38 Å²	38	51.2 Å²	51.2	18%	0.178	26%	0.257	C	S	.	.	H	α-helix	trans	-61.5	-36.7	174.1	-78.5	-165	-65.3	0	0	112.1	L17 N19 I89 K90	L17-Q93 PolarHBondContact O-NE2 3Å; N19-Q93 PolarHBondContact O-NE2 3.17Å; I89-Q93 WeakPolarHBondContact O-CB 3.33Å; I89-Q93 WeakPolarHBondContact O-CG 3.37Å; I89-Q93 PolarHBondContact O-N 2.87Å; K90-Q93 PolarHBondContact O-N 2.92Å
94	Y	70.8	Confident	74.8	Confident	156 Å²	156	51.2 Å²	51.2	61%	0.612	26%	0.257	S	S	*	.	H	α-helix	trans	-82.7	-32.7	-174.9	-84	-59.9	0	0	0	115.1	K20 K90 N91 L92	K20-Y94 VanDerWaalsContact CE-OH 3.3Å; K20-Y94 WeakPolarHBondContact CE-OH 3.27Å; K20-Y94 PolarHBondContact NZ-OH 2.72Å; K90-Y94 WeakPolarHBondContact O-CD2 3.39Å; K90-Y94 PolarHBondContact O-N 3.38Å; N91-Y94 PolarHBondContact O-N 3.27Å; L92-Y94 VanDerWaalsContact C-N 3.29Å; L92-Y94 PolarHBondContact O-N 3.21Å
95	S	65.8	Low	74.6	Confident	71 Å²	71	48.4 Å²	48.4	50%	0.497	24%	0.242	S	C	.	.	H	α-helix	trans	-93	-54.7	-169.4	64.4	0	0	0	0	114.4	N91	N91-S95 PolarHBondContact O-N 2.91Å; N91-S95 VanDerWaalsContact O-N 3.08Å; N91-S95 PolarHBondContact O-OG 3.43Å; N91-S95 VanDerWaalsContact O-OG 3.07Å
96	K	67.5	Low	74.3	Confident	74 Å²	74	48.5 Å²	48.5	32%	0.322	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-144.3	11.9	-160.7	-66.1	171.8	-173.3	169.3	0	114.4	Y53 E54 H98 L99	Y53-K96 HydrophobicContact CE2-CD 4.25Å; E54-K96 IonicContact OE1-NZ 2.74Å; E54-K96 PolarHBondContact OE1-NZ 3.24Å; E54-K96 WeakPolarHBondContact OE2-CD 3.37Å; E54-K96 WeakPolarHBondContact OE2-CE 3.46Å; E54-K96 IonicContact OE2-NZ 2.7Å; E54-K96 PolarHBondContact OE2-NZ 3.36Å; K96-H98 PolarHBondContact O-N 3.38Å; K96-L99 HydrophobicContact CB-CD1 4.35Å; K96-L99 HydrophobicContact CG-CD1 4.46Å; K96-L99 WeakPolarHBondContact O-CB 3.29Å; K96-L99 PolarHBondContact O-N 2.04Å
97	Y	68.7	Low	74	Confident	57 Å²	57	48.8 Å²	48.8	22%	0.224	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-47.7	-37.7	-170.2	-168.8	-100.8	0	0	0	115.3	P12 I15 L17 L92 L99 I100	P12-Y97 HydrophobicContact CB-CE1 4.49Å; P12-Y97 HydrophobicContact CB-CE2 3.74Å; P12-Y97 VanDerWaalsContact CB-OH 3.28Å; P12-Y97 WeakPolarHBondContact CB-OH 3.14Å; P12-Y97 PolarHBondContact O-OH 3.32Å; I15-Y97 PolarHBondContact O-OH 3.27Å; L17-Y97 HydrophobicContact CB-CE1 4.17Å; L17-Y97 HydrophobicContact CB-CE2 4.34Å; L17-Y97 WeakPolarHBondContact CB-OH 3.44Å; L17-Y97 HydrophobicContact CD1-CE2 3.79Å; L17-Y97 WeakPolarHBondContact CD1-OH 3.35Å; L17-Y97 HydrophobicContact CG-CE2 4.47Å; L17-Y97 WeakPolarHBondContact CG-OH 3.37Å; L92-Y97 PolarHBondContact O-N 3.43Å; Y97-L99 VanDerWaalsContact C-N 3.25Å; Y97-L99 PolarHBondContact O-N 3.25Å; Y97-I100 HydrophobicContact CD2-CD1 4.26Å; Y97-I100 PolarHBondContact O-N 3Å
98	H	67.7	Low	73.6	Confident	157 Å²	157	46.5 Å²	46.5	73%	0.727	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-69.7	-13.6	-179.6	63.7	-89.7	0	0	0	115	K96	K96-H98 PolarHBondContact O-N 3.38Å
99	L	70.1	Confident	73	Confident	88 Å²	88	47.7 Å²	47.7	46%	0.461	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-92.8	-14.3	176.5	-57.9	177	0	0	0	112.8	K96 Y97 H101	K96-L99 HydrophobicContact CB-CD1 4.35Å; K96-L99 HydrophobicContact CG-CD1 4.46Å; K96-L99 WeakPolarHBondContact O-CB 3.29Å; K96-L99 PolarHBondContact O-N 2.04Å; Y97-L99 VanDerWaalsContact C-N 3.25Å; Y97-L99 PolarHBondContact O-N 3.25Å; L99-H101 PolarHBondContact O-N 3.29Å
100	I	71.5	Confident	72.2	Confident	11 Å²	11	49.4 Å²	49.4	6%	0.056	24%	0.244	C	C	.	.			trans	-86	109.1	-171.6	-45.5	169.6	0	0	0	110.2	P12 L45 Y53 L92 Y97 I103	P12-I100 HydrophobicContact CG-CB 4Å; P12-I100 HydrophobicContact CG-CG2 3.64Å; L45-I100 HydrophobicContact CD1-CD1 4.33Å; L45-I100 HydrophobicContact CD1-CG1 4.37Å; L45-I100 HydrophobicContact CD2-CD1 4.47Å; L45-I100 HydrophobicContact CD2-CG2 4.44Å; Y53-I100 WeakPolarHBondContact OH-CG1 3.49Å; L92-I100 HydrophobicContact CD2-CD1 4.24Å; Y97-I100 HydrophobicContact CD2-CD1 4.26Å; Y97-I100 PolarHBondContact O-N 3Å; I100-I103 HydrophobicContact CD1-CD1 4.16Å; I100-I103 HydrophobicContact CG2-CD1 3.94Å; I100-I103 HydrophobicContact CG2-CG1 3.37Å
101	H	73.3	Confident	70.9	Confident	60 Å²	60	51.8 Å²	51.8	28%	0.278	26%	0.259	S	S	.	.	S	Bend	trans	-85	-43	171.3	177.1	-125.2	0	0	0	111.9	N11 P12 M46 N47 N50 L99	N11-H101 WeakPolarHBondContact CA-O 3.38Å; N11-H101 PolarHBondContact ND2-CD2 2.99Å; N11-H101 PolarHBondContact ND2-NE2 2.95Å; N11-H101 PolarHBondContact ND2-O 2.66Å; N11-H101 VanDerWaalsContact ND2-O 3.12Å; N11-H101 PolarHBondContact OD1-O 3.28Å; P12-H101 WeakPolarHBondContact CD-O 3.43Å; M46-H101 PolarHBondContact O-N 3.41Å; N47-H101 WeakPolarHBondContact O-CB 3.46Å; N50-H101 PolarHBondContact OD1-ND1 3.01Å; L99-H101 PolarHBondContact O-N 3.29Å
102	S	72.6	Confident	69.2	Low	14 Å²	14	52.6 Å²	52.6	10%	0.098	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147.1	175	-69.6	0	0	0	0	110.4	M46	M46-S102 WeakPolarHBondContact CB-O 3.29Å; M46-S102 PolarHBondContact N-O 2.03Å; M46-S102 PolarHBondContact O-N 3.44Å
103	I	74.8	Confident	67	Low	4 Å²	4	56.5 Å²	56.5	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.4	166.7	-57.5	-176.8	0	0	0	107.1	I9 F10 P12 V43 F44 L45 L92 I100 M105	I9-I103 WeakPolarHBondContact CA-O 3.39Å; F10-I103 HydrophobicContact CD1-CB 3.91Å; F10-I103 HydrophobicContact CD1-CG2 4.29Å; F10-I103 HydrophobicContact CE1-CB 3.4Å; F10-I103 VanDerWaalsContact CE1-CB 3.4Å; F10-I103 HydrophobicContact CE1-CD1 4.2Å; F10-I103 HydrophobicContact CE1-CG1 4.28Å; F10-I103 HydrophobicContact CE1-CG2 3.45Å; F10-I103 VanDerWaalsContact CE1-CG2 3.45Å; F10-I103 HydrophobicContact CE2-CB 4.33Å; F10-I103 HydrophobicContact CE2-CD1 3.93Å; F10-I103 HydrophobicContact CE2-CG1 4.44Å; F10-I103 HydrophobicContact CZ-CB 3.67Å; F10-I103 HydrophobicContact CZ-CD1 3.52Å; F10-I103 HydrophobicContact CZ-CG1 4.04Å; F10-I103 HydrophobicContact CZ-CG2 3.87Å; F10-I103 PolarHBondContact N-O 2.83Å; F10-I103 PolarHBondContact O-N 2.87Å; P12-I103 HydrophobicContact CG-CD1 4.06Å; P12-I103 HydrophobicContact CG-CG1 3.98Å; V43-I103 HydrophobicContact CG1-CG2 3.57Å; F44-I103 WeakPolarHBondContact O-CA 3.4Å; L45-I103 HydrophobicContact CD2-CB 4.47Å; L45-I103 HydrophobicContact CD2-CD1 3.94Å; L45-I103 HydrophobicContact CD2-CG1 3.77Å; L45-I103 HydrophobicContact CD2-CG2 4.13Å; L92-I103 HydrophobicContact CD1-CD1 4.09Å; I100-I103 HydrophobicContact CD1-CD1 4.16Å; I100-I103 HydrophobicContact CG2-CD1 3.94Å; I100-I103 HydrophobicContact CG2-CG1 3.37Å; I103-M105 HydrophobicContact CG2-CG 4.05Å
104	I	75.8	Confident	65.1	Low	1 Å²	1	61.8 Å²	61.8	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	134.4	164.5	-49.1	-176.6	0	0	0	106.7	C7 F8 I9 V43 F44 M46 I128	C7-I104 HydrophobicContact CB-CG2 3.91Å; F8-I104 CarbonylContact O-C 3.6Å; F8-I104 WeakPolarHBondContact O-CA 3.45Å; I9-I104 HydrophobicContact CD1-CD1 4.39Å; I9-I104 HydrophobicContact CD1-CG1 4.31Å; I9-I104 HydrophobicContact CG1-CG1 4.08Å; I9-I104 HydrophobicContact CG1-CG2 4.32Å; I9-I104 HydrophobicContact CG2-CG1 4.29Å; V43-I104 WeakPolarHBondContact CA-O 3.45Å; F44-I104 HydrophobicContact CB-CB 4.28Å; F44-I104 HydrophobicContact CD2-CB 4.16Å; F44-I104 HydrophobicContact CD2-CG2 4.29Å; F44-I104 PolarHBondContact N-O 3.37Å; F44-I104 PolarHBondContact O-N 3.44Å; M46-I104 HydrophobicContact CE-CD1 4.47Å; M46-I104 HydrophobicContact CG-CD1 4.5Å; M46-I104 HydrophobicContact CG-CG1 4.37Å; M46-I104 HydrophobicContact SD-CD1 3.69Å; M46-I104 HydrophobicContact SD-CG1 3.78Å; I104-I128 HydrophobicContact CD1-CD1 3.82Å
105	M	76.9	Confident	63.2	Low	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	158.5	159.2	-13.9	-175.9	-159.2	0	0	112.2	C7 F8 F10 L41 H42 V43 M88 I103	C7-M105 WeakPolarHBondContact CA-O 3.37Å; F8-M105 HydrophobicContact CD1-CB 4.32Å; F8-M105 VanDerWaalsContact CD1-O 3.23Å; F8-M105 WeakPolarHBondContact CD1-O 3.38Å; F8-M105 HydrophobicContact CD2-CG 4.49Å; F8-M105 HydrophobicContact CE1-CB 3.59Å; F8-M105 HydrophobicContact CE1-CG 4.11Å; F8-M105 HydrophobicContact CE1-SD 4.5Å; F8-M105 HydrophobicContact CE2-CB 4.15Å; F8-M105 HydrophobicContact CE2-CE 3.81Å; F8-M105 HydrophobicContact CE2-CG 3.71Å; F8-M105 HydrophobicContact CE2-SD 3.89Å; F8-M105 HydrophobicContact CZ-CB 3.48Å; F8-M105 VanDerWaalsContact CZ-CB 3.48Å; F8-M105 HydrophobicContact CZ-CE 4.03Å; F8-M105 HydrophobicContact CZ-CG 3.48Å; F8-M105 VanDerWaalsContact CZ-CG 3.48Å; F8-M105 HydrophobicContact CZ-SD 3.51Å; F8-M105 VanDerWaalsContact CZ-SD 3.51Å; F8-M105 PolarHBondContact N-O 3.01Å; F8-M105 PolarHBondContact O-N 2.95Å; F10-M105 HydrophobicContact CD1-CE 4.25Å; F10-M105 HydrophobicContact CE1-CE 3.25Å; F10-M105 HydrophobicContact CE1-CG 4.22Å; F10-M105 HydrophobicContact CZ-CE 3.71Å; L41-M105 HydrophobicContact CD1-CB 3.76Å; L41-M105 HydrophobicContact CD1-SD 3.96Å; L41-M105 HydrophobicContact CD2-SD 3.76Å; L41-M105 HydrophobicContact CG-CB 4.37Å; L41-M105 HydrophobicContact CG-SD 4.07Å; H42-M105 CarbonylContact O-C 3.59Å; H42-M105 WeakPolarHBondContact O-CA 3.36Å; H42-M105 WeakPolarHBondContact O-CB 3.36Å; V43-M105 HydrophobicContact CG1-CG 4.33Å; V43-M105 HydrophobicContact CG2-CB 4.25Å; V43-M105 HydrophobicContact CG2-CG 4.26Å; V43-M105 HydrophobicContact CG2-SD 4.03Å; M88-M105 HydrophobicContact CE-CE 3.77Å; M88-M105 HydrophobicContact CE-SD 4.13Å; I103-M105 HydrophobicContact CG2-CG 4.05Å
106	T	76.1	Confident	61.5	Low	7 Å²	7	63.9 Å²	63.9	4%	0.043	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	152.1	176.8	-172.8	0	0	0	0	111	L41 H42 F44 V108	L41-T106 WeakPolarHBondContact CA-O 3.39Å; H42-T106 HydrophobicContact CB-CG2 3.9Å; H42-T106 PolarHBondContact N-O 3.03Å; H42-T106 PolarHBondContact O-N 3.25Å; F44-T106 HydrophobicContact CE2-CG2 4.08Å; T106-V108 HydrophobicContact CG2-CG2 4.35Å
107	L	74.8	Confident	59.6	Low	13 Å²	13	68.5 Å²	68.5	7%	0.068	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	132.1	177.8	-68.2	173.4	0	0	0	110.2	T28 L41 L60 I222 L223	T28-L107 HydrophobicContact CG2-CD1 4.2Å; L41-L107 HydrophobicContact CB-CD2 4.44Å; L41-L107 HydrophobicContact CD1-CD2 3.88Å; L60-L107 HydrophobicContact CD1-CD2 3.39Å; L107-I222 HydrophobicContact CB-CG2 4.36Å; L107-I222 WeakPolarHBondContact O-CD1 3.37Å; L107-L223 HydrophobicContact CD1-CD1 4.28Å; L107-L223 HydrophobicContact CD1-CD2 4.24Å; L107-L223 HydrophobicContact CD1-CG 4.43Å
108	V	72.9	Confident	57.7	Low	37 Å²	37	71.6 Å²	71.6	22%	0.224	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.9	-179.3	-174.9	0	0	0	0	109.2	L39 K40 T106 I123	L39-V108 CarbonylContact C-O 3.5Å; L39-V108 WeakPolarHBondContact CA-O 3.21Å; K40-V108 PolarHBondContact N-O 2.91Å; K40-V108 PolarHBondContact O-N 3.4Å; T106-V108 HydrophobicContact CG2-CG2 4.35Å; V108-I123 HydrophobicContact CG2-CD1 4.46Å
109	T	68.1	Low	55.8	Low	37 Å²	37	69.7 Å²	69.7	23%	0.227	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	139	173.6	47	0	0	0	0	111.8	Q38 L39 N111 I222	Q38-T109 CarbonylContact O-C 3.52Å; Q38-T109 WeakPolarHBondContact O-CA 3.26Å; L39-T109 HydrophobicContact CD2-CG2 3.87Å; T109-N111 PolarHBondContact O-N 3.07Å; T109-N111 VanDerWaalsContact O-N 3.16Å; T109-I222 HydrophobicContact CG2-CD1 3.81Å; T109-I222 HydrophobicContact CG2-CG1 4.06Å
110	N	63	Low	54.3	Low	43 Å²	43	69 Å²	69	23%	0.23	37%	0.368	C	S	.	.	S	Bend	trans	-62.7	-18.4	175.8	-70.2	-8.4	0	0	0	114.3	Q38 K40 H112	Q38-N110 PolarHBondContact O-N 2.94Å; K40-N110 WeakPolarHBondContact CD-OD1 3.22Å; K40-N110 WeakPolarHBondContact CE-OD1 3.49Å; K40-N110 VanDerWaalsContact CG-OD1 3.24Å; K40-N110 WeakPolarHBondContact CG-OD1 3.23Å; N110-H112 PolarHBondContact O-N 2.79Å
111	N	49.7	Very low	52.7	Low	106 Å²	106	74.3 Å²	74.3	57%	0.567	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	42.6	-169.8	-52.9	-0.4	0	0	0	112.7	Q38 T109	Q38-N111 PolarHBondContact OE1-ND2 2.91Å; T109-N111 PolarHBondContact O-N 3.07Å; T109-N111 VanDerWaalsContact O-N 3.16Å
112	H	44.7	Very low	51.1	Low	119 Å²	119	76.6 Å²	76.6	55%	0.551	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	-10.6	170.4	-110.2	-51.3	0	0	0	113.1	N110 D114	N110-H112 PolarHBondContact O-N 2.79Å; H112-D114 VanDerWaalsContact C-N 3.28Å; H112-D114 PolarHBondContact O-N 3.07Å
113	D	30.5	Very low	49.7	Very low	93 Å²	93	77.7 Å²	77.7	50%	0.497	42%	0.415	S	S	.	.			trans	-82.1	66.9	179.5	-60.6	-36.2	0	0	0	111	K40	K40-D113 IonicContact NZ-OD2 3.14Å
114	D	31	Very low	48	Very low	150 Å²	150	82.1 Å²	82.1	80%	0.802	44%	0.436	S	S	*	.	S	Bend	trans	-161.9	134.5	160.7	-110.5	-33	0	0	0	111.7	H112	H112-D114 VanDerWaalsContact C-N 3.28Å; H112-D114 PolarHBondContact O-N 3.07Å
115	Q	31.5	Very low	46.5	Very low	198 Å²	198	84.5 Å²	84.5	93%	0.925	45%	0.448	S	S	*	.	S	Bend	trans	67.4	21.3	171.7	-53.3	-168.9	2.5	0	0	120.6
116	S	30.6	Very low	44.4	Very low	72 Å²	72	91 Å²	91	50%	0.503	48%	0.483	S	S	.	.			trans	-144.7	126.1	159.2	76.8	0	0	0	0	114.4	N118	S116-N118 PolarHBondContact O-N 3.26Å
117	N	28.1	Very low	42.6	Very low	171 Å²	171	96.9 Å²	96.9	91%	0.914	51%	0.505	S	S	*	.			trans	-74.9	37.8	178.2	-70.8	-4	0	0	0	113.6
118	N	29	Very low	40.7	Very low	123 Å²	123	98.5 Å²	98.5	66%	0.658	51%	0.514	S	S	*	.	S	Bend	trans	-101.6	120.1	173.9	-63.5	-34.1	0	0	0	107.8	S116 V120	S116-N118 PolarHBondContact O-N 3.26Å; N118-V120 PolarHBondContact O-N 3.22Å; N118-V120 VanDerWaalsContact O-N 3.14Å
119	N	27.9	Very low	38.8	Very low	116 Å²	116	101.1 Å²	101.1	62%	0.62	53%	0.526	S	S	*	.			trans	-55.3	119.8	-177.4	-73.2	-13.7	0	0	0	111.1	D121 D122	N119-D121 PolarHBondContact O-N 3.16Å; N119-D121 VanDerWaalsContact O-N 3.15Å; N119-D122 PolarHBondContact O-N 3.16Å; N119-D122 VanDerWaalsContact O-N 3.11Å
120	V	37.2	Very low	37.3	Very low	73 Å²	73	102.4 Å²	102.4	44%	0.442	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-7.8	179.1	-178.6	0	0	0	0	111.9	N118 D122	N118-V120 PolarHBondContact O-N 3.22Å; N118-V120 VanDerWaalsContact O-N 3.14Å; V120-D122 VanDerWaalsContact C-N 3.28Å; V120-D122 PolarHBondContact O-N 2.8Å
121	D	37.6	Very low	35.8	Very low	124 Å²	124	104.7 Å²	104.7	66%	0.663	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-26.3	168.6	-60	-51.6	0	0	0	113.1	N119 I123	N119-D121 PolarHBondContact O-N 3.16Å; N119-D121 VanDerWaalsContact O-N 3.15Å; D121-I123 PolarHBondContact O-N 2.99Å
122	D	39.9	Very low	34.9	Very low	107 Å²	107	106 Å²	106	57%	0.572	56%	0.558	S	S	*	*			trans	-77.9	59.7	-178.3	-78.3	-43.2	0	0	0	113.3	N119 V120 H124	N119-D122 PolarHBondContact O-N 3.16Å; N119-D122 VanDerWaalsContact O-N 3.11Å; V120-D122 VanDerWaalsContact C-N 3.28Å; V120-D122 PolarHBondContact O-N 2.8Å; D122-H124 PolarHBondContact O-N 3.22Å
123	I	44.8	Very low	34.2	Very low	37 Å²	37	107.1 Å²	107.1	19%	0.19	56%	0.564	C	S	.	*			trans	-71.2	77	155.8	-54.7	-172.2	0	0	0	107.9	L4 H42 F44 V108 D121 L125	L4-I123 HydrophobicContact CD1-CG2 4.25Å; H42-I123 HydrophobicContact CB-CD1 4.41Å; H42-I123 VanDerWaalsContact ND1-CD1 3.28Å; H42-I123 WeakPolarHBondContact ND1-CD1 3.48Å; F44-I123 HydrophobicContact CZ-CB 4.34Å; F44-I123 HydrophobicContact CZ-CD1 4.36Å; F44-I123 HydrophobicContact CZ-CG2 4.04Å; V108-I123 HydrophobicContact CG2-CD1 4.46Å; D121-I123 PolarHBondContact O-N 2.99Å; I123-L125 PolarHBondContact O-N 2.58Å
124	H	39	Very low	34	Very low	97 Å²	97	110.5 Å²	110.5	45%	0.449	58%	0.581	S	S	.	*			trans	-57.3	106.8	177.3	-100	-59.7	0	0	0	110.8	D122 N126 Y127	D122-H124 PolarHBondContact O-N 3.22Å; H124-N126 PolarHBondContact O-N 3.15Å; H124-Y127 HydrophobicContact CB-CE2 4.13Å; H124-Y127 WeakPolarHBondContact O-CD2 3.12Å
125	L	43.6	Very low	33.8	Very low	51 Å²	51	110.5 Å²	110.5	27%	0.267	58%	0.58	S	S	.	*	G	3₁₀ helix	trans	-70.4	-1.9	-179.1	-71.3	140.6	0	0	0	113.6	F44 I52 I123 Y127 I128	F44-L125 HydrophobicContact CD1-CD1 3.89Å; F44-L125 HydrophobicContact CD1-CD2 4.19Å; F44-L125 HydrophobicContact CE1-CD1 3.95Å; F44-L125 HydrophobicContact CE1-CD2 4.2Å; F44-L125 HydrophobicContact CE1-CG 4.37Å; F44-L125 HydrophobicContact CG-CD2 4.4Å; F44-L125 HydrophobicContact CZ-CD2 4.41Å; I52-L125 HydrophobicContact CD1-CD1 3.6Å; I52-L125 HydrophobicContact CD1-CD2 3.61Å; I52-L125 HydrophobicContact CD1-CG 4.08Å; I123-L125 PolarHBondContact O-N 2.58Å; L125-Y127 PolarHBondContact O-N 3.11Å; L125-I128 HydrophobicContact CD2-CD1 3.67Å; L125-I128 HydrophobicContact CD2-CG1 4.41Å; L125-I128 PolarHBondContact O-N 2.98Å
126	N	31.9	Very low	33.5	Very low	137 Å²	137	106 Å²	106	73%	0.733	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-55.3	-7.3	169.5	-62.5	-3.5	0	0	0	114.3	H124	H124-N126 PolarHBondContact O-N 3.15Å
127	Y	38.3	Very low	33.2	Very low	130 Å²	130	112 Å²	112	51%	0.51	59%	0.587	S	S	.	*	G	3₁₀ helix	trans	-95	-3.8	173.9	-57	-60.4	0	0	0	114.6	H124 L125 D129	H124-Y127 HydrophobicContact CB-CE2 4.13Å; H124-Y127 WeakPolarHBondContact O-CD2 3.12Å; L125-Y127 PolarHBondContact O-N 3.11Å; Y127-D129 PolarHBondContact O-N 3.5Å
128	I	34.9	Very low	32.9	Very low	47 Å²	47	110.1 Å²	110.1	24%	0.241	58%	0.584	C	S	.	*			trans	-95.3	79.9	174.8	-51.5	-170.6	0	0	0	109.5	I104 L125 L130	I104-I128 HydrophobicContact CD1-CD1 3.82Å; L125-I128 HydrophobicContact CD2-CD1 3.67Å; L125-I128 HydrophobicContact CD2-CG1 4.41Å; L125-I128 PolarHBondContact O-N 2.98Å; I128-L130 HydrophobicContact CG2-CD1 4.27Å; I128-L130 HydrophobicContact CG2-CG 4.05Å; I128-L130 PolarHBondContact O-N 3.16Å
129	D	33.6	Very low	32.8	Very low	92 Å²	92	109.4 Å²	109.4	49%	0.492	59%	0.589	S	S	.	*			trans	-73.6	93.4	169.5	176.6	25.2	0	0	0	110.7	Y127 S131 N132	Y127-D129 PolarHBondContact O-N 3.5Å; D129-S131 VanDerWaalsContact C-N 3.26Å; D129-S131 VanDerWaalsContact CG-OG 3.27Å; D129-S131 PolarHBondContact O-N 3.42Å; D129-S131 WeakPolarHBondContact OD1-CB 3.24Å; D129-S131 PolarHBondContact OD1-N 2.89Å; D129-S131 PolarHBondContact OD1-OG 2.96Å; D129-S131 PolarHBondContact OD2-OG 3.21Å; D129-N132 PolarHBondContact OD2-ND2 3.03Å
130	L	37.4	Very low	32.7	Very low	64 Å²	64	108.7 Å²	108.7	34%	0.335	59%	0.593	S	S	.	*	G	3₁₀ helix	trans	-74.3	-10.2	175.3	-86.2	156.7	0	0	0	113.7	M46 I128 N132 Q133	M46-L130 HydrophobicContact CE-CD1 4.14Å; I128-L130 HydrophobicContact CG2-CD1 4.27Å; I128-L130 HydrophobicContact CG2-CG 4.05Å; I128-L130 PolarHBondContact O-N 3.16Å; L130-N132 PolarHBondContact O-N 3.18Å; L130-N132 VanDerWaalsContact O-N 3.16Å; L130-Q133 PolarHBondContact O-N 3.33Å; L130-Q133 VanDerWaalsContact O-N 3.16Å
131	S	30.6	Very low	32.2	Very low	91 Å²	91	111.4 Å²	111.4	64%	0.636	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-63	-26.7	-173.1	70	0	0	0	0	113.6	D129	D129-S131 VanDerWaalsContact C-N 3.26Å; D129-S131 VanDerWaalsContact CG-OG 3.27Å; D129-S131 PolarHBondContact O-N 3.42Å; D129-S131 WeakPolarHBondContact OD1-CB 3.24Å; D129-S131 PolarHBondContact OD1-N 2.89Å; D129-S131 PolarHBondContact OD1-OG 2.96Å; D129-S131 PolarHBondContact OD2-OG 3.21Å
132	N	30.2	Very low	31.8	Very low	135 Å²	135	108.7 Å²	108.7	72%	0.722	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-94.2	-0	-178.3	-73.5	-72.6	0	0	0	114.4	D129 L130	D129-N132 PolarHBondContact OD2-ND2 3.03Å; L130-N132 PolarHBondContact O-N 3.18Å; L130-N132 VanDerWaalsContact O-N 3.16Å
133	Q	31.1	Very low	31.2	Very low	142 Å²	142	105.4 Å²	105.4	66%	0.664	59%	0.585	S	S	*	*			trans	-104.3	85.4	169.3	-70.4	-163.1	13.7	0	0	110.7	L130 L135	L130-Q133 PolarHBondContact O-N 3.33Å; L130-Q133 VanDerWaalsContact O-N 3.16Å; Q133-L135 PolarHBondContact O-N 3.06Å
134	L	25.6	Very low	30.4	Very low	164 Å²	164	106.8 Å²	106.8	86%	0.859	60%	0.595	S	S	*	*			trans	-58.7	99.2	166	-85.9	162	0	0	0	109.9	S136	L134-S136 PolarHBondContact O-N 2.73Å
135	L	26.7	Very low	29.9	Very low	150 Å²	150	104.9 Å²	104.9	79%	0.785	59%	0.59	S	S	*	*			trans	-67.3	73.7	168.1	-85.9	156.5	0	0	0	109.9	Q133 K137	Q133-L135 PolarHBondContact O-N 3.06Å; L135-K137 PolarHBondContact O-N 2.97Å; L135-K137 VanDerWaalsContact O-N 3.14Å
136	S	24.9	Very low	29.3	Very low	102 Å²	102	106 Å²	106	71%	0.713	60%	0.596	S	S	*	*			trans	-67.7	107.2	-176.9	55.7	0	0	0	0	111.1	L134 P138	L134-S136 PolarHBondContact O-N 2.73Å; S136-P138 WeakPolarHBondContact O-CD 3.28Å
137	K	24.3	Very low	29.2	Very low	200 Å²	200	104.9 Å²	104.9	87%	0.87	59%	0.586	S	S	*	*			trans	-56.5	122.1	168.6	-63.6	175.4	179.4	176.4	0	109.6	L135	L135-K137 PolarHBondContact O-N 2.97Å; L135-K137 VanDerWaalsContact O-N 3.14Å
138	P	23.6	Very low	28.8	Very low	130 Å²	130	104.9 Å²	104.9	84%	0.844	60%	0.595	S	S	*	*			trans	-93.4	131.5	177.7	33.7	-30.4	0	0	0	111.9	S136	S136-P138 WeakPolarHBondContact O-CD 3.28Å
139	S	25.6	Very low	28.6	Very low	108 Å²	108	110.9 Å²	110.9	76%	0.755	62%	0.622	S	S	*	*			trans	-132.1	103.1	178.7	55.3	0	0	0	0	113.3
140	S	26	Very low	28.3	Very low	101 Å²	101	111.1 Å²	111.1	71%	0.706	63%	0.628	S	S	*	*			trans	51	119.5	139.1	61.6	0	0	0	0	123.2
141	T	27.4	Very low	28	Very low	131 Å²	131	116.3 Å²	116.3	80%	0.804	65%	0.653	S	S	*	*			trans	63.5	167.1	132.9	51.3	0	0	0	0	121.9
142	S	27.5	Very low	27.8	Very low	67 Å²	67	118.8 Å²	118.8	47%	0.469	65%	0.654	S	S	.	*			cis	-178.8	163.1	-42.2	65.2	0	0	0	0	110.9
143	T	27.8	Very low	27.6	Very low	38 Å²	38	118.6 Å²	118.6	23%	0.233	65%	0.653	C	S	.	*			trans	56.2	176.3	151.8	57.3	0	0	0	0	118.6	I364 F366 V386	T143-I364 HydrophobicContact CG2-CD1 3.26Å; T143-I364 HydrophobicContact CG2-CG1 3.79Å; T143-F366 VanDerWaalsContact C-CE2 3.41Å; T143-F366 WeakPolarHBondContact O-CE2 3.2Å; T143-F366 WeakPolarHBondContact O-CZ 3.01Å; T143-V386 HydrophobicContact CG2-CG1 4.45Å; T143-V386 HydrophobicContact CG2-CG2 4.36Å
144	T	28.9	Very low	27.6	Very low	66 Å²	66	121.2 Å²	121.2	41%	0.405	67%	0.665	S	S	.	*	B	Isolated β-bridge	cis	-155.4	170.4	4.3	-16.4	0	0	0	0	106.6	P365 T367	T144-P365 VanDerWaalsContact CA-O 3.3Å; T144-P365 WeakPolarHBondContact CA-O 3.33Å; T144-T367 WeakPolarHBondContact O-CB 3.36Å; T144-T367 PolarHBondContact O-N 2.54Å; T144-T367 PolarHBondContact O-OG1 3.41Å
145	T	28.9	Very low	27.6	Very low	56 Å²	56	121 Å²	121	34%	0.344	67%	0.666	S	S	.	*			cis	-138.9	-161.3	3.3	-151.3	0	0	0	0	109.4	P365 F366 T367 T381 L382	T145-P365 VanDerWaalsContact C-CG 3.46Å; T145-F366 CarbonylContact O-C 3.58Å; T145-F366 WeakPolarHBondContact O-CA 3.26Å; T145-F366 PolarHBondContact O-N 2.85Å; T145-T367 PolarHBondContact N-OG1 3.31Å; T145-T381 VanDerWaalsContact C-CG2 3.49Å; T145-T381 WeakPolarHBondContact O-CA 3.38Å; T145-T381 VanDerWaalsContact O-CB 3.26Å; T145-T381 WeakPolarHBondContact O-CB 3.43Å; T145-T381 VanDerWaalsContact O-CG2 3.26Å; T145-T381 WeakPolarHBondContact O-CG2 3.43Å; T145-L382 PolarHBondContact O-N 2.74Å
146	I	29.8	Very low	27.8	Very low	76 Å²	76	122.8 Å²	122.8	39%	0.39	67%	0.67	S	S	.	*			cis	-153.9	172.3	-3	-149.9	160.7	0	0	0	110.1	P365 T381 P383	I146-P365 VanDerWaalsContact N-CB 3.35Å; I146-T381 HydrophobicContact CB-CG2 4.38Å; I146-T381 HydrophobicContact CG2-CG2 4.17Å; I146-P383 WeakPolarHBondContact O-CA 3.4Å; I146-P383 WeakPolarHBondContact O-CB 3.11Å; I146-P383 WeakPolarHBondContact O-CD 3.41Å
147	E	29.6	Very low	28.1	Very low	113 Å²	113	126.1 Å²	126.1	53%	0.528	68%	0.679	S	S	.	*			trans	-31.4	175.4	177.4	-71.9	73.5	-77.8	0	0	120.9	P383	E147-P383 WeakPolarHBondContact O-CB 3.03Å
148	D	31.3	Very low	28.2	Very low	130 Å²	130	126 Å²	126	70%	0.695	68%	0.678	S	S	*	*			cis	-142.5	-148.2	36.9	-51.1	-64.2	0	0	0	114.5
149	E	29	Very low	28.5	Very low	173 Å²	173	128.1 Å²	128.1	81%	0.808	68%	0.677	S	S	*	*			cis	-165.3	165.7	-5.5	-126.8	-85.4	118.2	0	0	110.4
150	P	28.7	Very low	28.8	Very low	96 Å²	96	129.8 Å²	129.8	62%	0.623	68%	0.676	S	S	*	*			trans	-145.5	175.6	-169.6	44.5	-26	0	0	0	121.9
151	M	30.4	Very low	28.8	Very low	173 Å²	173	132.3 Å²	132.3	85%	0.852	68%	0.68	S	S	*	*			trans	-158.4	178.8	152.5	-116.1	-147	91.6	0	0	114.5
152	E	27.3	Very low	29	Very low	143 Å²	143	131.7 Å²	131.7	67%	0.668	68%	0.678	S	S	*	*			trans	-107.3	168.8	-151.4	-46.1	172.1	88	0	0	119.8
153	N	24.8	Very low	28.9	Very low	132 Å²	132	135.9 Å²	135.9	71%	0.706	70%	0.696	S	S	*	*			trans	60.3	117.2	145.7	-63.9	-35.5	0	0	0	122
154	Q	31.4	Very low	29	Very low	196 Å²	196	143.4 Å²	143.4	92%	0.916	73%	0.725	S	S	*	*				-169.5	133.1	113.3	-105.5	171.4	4.2	0	0	113
155	D	25.4	Very low	28.8	Very low	161 Å²	161	147.9 Å²	147.9	86%	0.861	74%	0.741	S	S	*	*			trans	-82	138.8	159.9	-86.5	-62.8	0	0	0	109.5
156	E	30.8	Very low	28.9	Very low	187 Å²	187	154.5 Å²	154.5	87%	0.874	77%	0.766	S	S	*	*			trans	174.4	119.7	136.8	-103.1	178.3	-159	0	0	112.1
157	L	31	Very low	28.9	Very low	172 Å²	172	156.1 Å²	156.1	90%	0.901	78%	0.775	S	S	*	*			trans	168.3	94.7	138	-95	155.5	0	0	0	111.9
158	K	26.1	Very low	29	Very low	196 Å²	196	158.3 Å²	158.3	85%	0.852	79%	0.785	S	S	*	*			trans	-116.6	119.6	158.9	-77.6	178.3	179.6	168.2	0	108.6
159	Q	31.3	Very low	29	Very low	176 Å²	176	159.3 Å²	159.3	82%	0.822	79%	0.79	S	S	*	*			trans	167.8	142.4	164.4	-94.3	154.7	94.7	0	0	106
160	I	31	Very low	29.2	Very low	143 Å²	143	157.3 Å²	157.3	73%	0.733	79%	0.785	S	S	*	*			cis	-147.2	161.4	7.4	-103	148.5	0	0	0	110.2
161	L	26.6	Very low	29.3	Very low	154 Å²	154	159.4 Å²	159.4	81%	0.806	79%	0.791	S	S	*	*			trans	-83.4	-169	177.4	-68.6	87.4	0	0	0	111.9
162	P	30.8	Very low	29.5	Very low	117 Å²	117	158.7 Å²	158.7	76%	0.76	79%	0.791	S	S	*	*			cis	-133.7	177.3	-9.6	21.9	4	0	0	0	116.7
163	N	26.3	Very low	29.6	Very low	155 Å²	155	159.3 Å²	159.3	83%	0.829	80%	0.799	S	S	*	*			trans	-48	155.8	167.9	-53.7	-19.3	0	0	0	116
164	K	28.9	Very low	30	Very low	197 Å²	197	160 Å²	160	86%	0.857	80%	0.802	S	S	*	*			trans	-139.8	127.5	143.5	-126.2	179.4	-176	-178.9	0	110.7
165	H	26.4	Very low	29.9	Very low	159 Å²	159	159.6 Å²	159.6	74%	0.736	80%	0.8	S	S	*	*			trans	-82.9	143.6	168.6	-109.9	-80.7	0	0	0	109.6
166	F	31	Very low	30.3	Very low	196 Å²	196	160.2 Å²	160.2	86%	0.86	80%	0.795	S	S	*	*			trans	-146.3	157.7	142	-98.9	-75.8	0	0	0	108.6
167	N	29.3	Very low	30	Very low	109 Å²	109	157.2 Å²	157.2	58%	0.583	79%	0.79	S	S	*	*			trans	-97.8	177.1	-171.4	-69.7	10	0	0	0	112.4
168	E	30.5	Very low	30.1	Very low	159 Å²	159	156.6 Å²	156.6	74%	0.743	79%	0.787	S	S	*	*			trans	50.2	111.1	143	-71.4	140.3	-129.7	0	0	117.3
169	D	32.9	Very low	30.3	Very low	151 Å²	151	154.1 Å²	154.1	81%	0.807	78%	0.784	S	S	*	*				-160.4	172.9	100.5	-122.3	-42.3	0	0	0	114.1
170	N	32.2	Very low	30.2	Very low	132 Å²	132	152.4 Å²	152.4	71%	0.706	78%	0.78	S	S	*	*			trans	-70.9	163	-161.2	-64	-82.1	0	0	0	117.9
171	D	30.1	Very low	30.3	Very low	139 Å²	139	152.9 Å²	152.9	74%	0.743	78%	0.784	S	S	*	*			trans	-1	136.7	145.9	-54	-27.2	0	0	0	118.8
172	N	35	Very low	30.7	Very low	158 Å²	158	152.3 Å²	152.3	85%	0.845	78%	0.782	S	S	*	*				-167.6	152.8	112.9	-101.1	-71.1	0	0	0	111.6
173	D	30.3	Very low	31.1	Very low	157 Å²	157	154 Å²	154	84%	0.84	78%	0.784	S	S	*	*			trans	-69.9	139	176	-66.6	-67.5	0	0	0	112.3
174	L	33.8	Very low	31.6	Very low	145 Å²	145	155.3 Å²	155.3	76%	0.759	78%	0.783	S	S	*	*			trans	-135.7	93.8	167	-89.9	170.2	0	0	0	110.9	F176	L174-F176 HydrophobicContact CB-CD2 4.4Å; L174-F176 HydrophobicContact CB-CE2 4.34Å; L174-F176 HydrophobicContact CD1-CE2 4.38Å; L174-F176 HydrophobicContact CD2-CE2 4.24Å; L174-F176 PolarHBondContact O-N 3.39Å
175	E	29.3	Very low	32.2	Very low	188 Å²	188	151 Å²	151	88%	0.879	77%	0.769	S	S	*	*			trans	-64.3	116.2	161.1	-68.9	-168.4	126.8	0	0	109.6
176	F	31.8	Very low	32.9	Very low	174 Å²	174	150.1 Å²	150.1	76%	0.763	77%	0.766	S	S	*	*			trans	-100.2	100.6	163.9	-92.8	-83.5	0	0	0	110.4	L174	L174-F176 HydrophobicContact CB-CD2 4.4Å; L174-F176 HydrophobicContact CB-CE2 4.34Å; L174-F176 HydrophobicContact CD1-CE2 4.38Å; L174-F176 HydrophobicContact CD2-CE2 4.24Å; L174-F176 PolarHBondContact O-N 3.39Å
177	T	26.1	Very low	33.3	Very low	124 Å²	124	148.8 Å²	148.8	76%	0.761	76%	0.759	S	S	*	*			trans	-67.1	143.2	158.5	49.2	0	0	0	0	109.4
178	N	33	Very low	33.7	Very low	159 Å²	159	148.2 Å²	148.2	85%	0.85	76%	0.756	S	S	*	*			trans	-149	133.9	155.1	-111.7	-36.2	0	0	0	109.8
179	N	29	Very low	34.2	Very low	145 Å²	145	146.2 Å²	146.2	78%	0.775	75%	0.75	S	S	*	*			trans	-88	-171.2	-179.9	-96.6	-26.2	0	0	0	110.9
180	D	29.6	Very low	34.6	Very low	140 Å²	140	145.6 Å²	145.6	75%	0.749	74%	0.743	S	S	*	*			trans	67.3	86.3	156.4	-54.2	-33.6	0	0	0	117.4
181	N	33.9	Very low	34.9	Very low	153 Å²	153	145.4 Å²	145.4	82%	0.818	74%	0.738	S	S	*	*			trans	-169.4	44.2	137.4	-101	-52.6	0	0	0	114.1
182	N	34.2	Very low	35.3	Very low	141 Å²	141	144.7 Å²	144.7	75%	0.754	73%	0.728	S	S	*	*			trans	-98.4	-1.7	-171.9	-86.3	-26	0	0	0	117.3
183	N	40.3	Very low	35.5	Very low	153 Å²	153	142.2 Å²	142.2	82%	0.818	71%	0.711	S	S	*	*	S	Bend	trans	-94	2	-172.4	-90.1	-15.5	0	0	0	116.7
184	F	36.5	Very low	35.8	Very low	182 Å²	182	137.4 Å²	137.4	80%	0.798	69%	0.69	S	S	*	*	S	Bend	trans	-108.2	-22	-178	-116.2	-91.2	0	0	0	115.3
185	N	41.2	Very low	35.8	Very low	106 Å²	106	135.8 Å²	135.8	57%	0.567	68%	0.681	S	S	*	*	S	Bend	trans	-83.9	-23.9	-173.6	-74.3	-36.8	0	0	0	114.5
186	E	41.2	Very low	36.1	Very low	141 Å²	141	133.9 Å²	133.9	66%	0.659	67%	0.671	S	S	*	*	H	α-helix	trans	-70.1	-44	-177.1	-62.3	-165.5	132.3	0	0	112.4	L188 N189 E190	E186-L188 PolarHBondContact O-N 3.27Å; E186-L188 VanDerWaalsContact O-N 3.17Å; E186-N189 PolarHBondContact O-N 2.85Å; E186-N189 VanDerWaalsContact O-N 3.12Å; E186-E190 PolarHBondContact O-N 3.2Å
187	K	40.1	Very low	36.3	Very low	168 Å²	168	134 Å²	134	73%	0.73	67%	0.666	S	S	*	*	H	α-helix	trans	-59.9	-27.2	178.6	-92.3	-179.4	174.8	172.4	0	114.4
188	L	37.8	Very low	36.7	Very low	97 Å²	97	135.9 Å²	135.9	51%	0.508	66%	0.663	S	S	.	*	H	α-helix	trans	-75.4	-39.9	176.9	-109.6	164.4	0	0	0	111.8	E186 Q191 F192	E186-L188 PolarHBondContact O-N 3.27Å; E186-L188 VanDerWaalsContact O-N 3.17Å; L188-Q191 PolarHBondContact O-N 2.91Å; L188-F192 HydrophobicContact CD2-CE2 4.38Å; L188-F192 PolarHBondContact O-N 3.4Å
189	N	39.2	Very low	36.8	Very low	117 Å²	117	136.7 Å²	136.7	63%	0.626	66%	0.659	S	S	*	*	H	α-helix	trans	-67.9	-38.2	177.4	-79.9	-38.6	0	0	0	112.6	E186 Q191 F192 E193	E186-N189 PolarHBondContact O-N 2.85Å; E186-N189 VanDerWaalsContact O-N 3.12Å; N189-Q191 VanDerWaalsContact C-N 3.32Å; N189-Q191 PolarHBondContact O-N 2.8Å; N189-F192 PolarHBondContact O-N 2.96Å; N189-E193 PolarHBondContact O-N 3.14Å
190	E	42.2	Very low	37.1	Very low	138 Å²	138	136.7 Å²	136.7	65%	0.645	66%	0.66	S	S	*	*	H	α-helix	trans	-62	-38.4	176.7	-68.7	-165.4	130.1	0	0	112.7	E186 E193 S194	E186-E190 PolarHBondContact O-N 3.2Å; E190-E193 PolarHBondContact O-N 2.96Å; E190-S194 WeakPolarHBondContact O-CB 3.35Å; E190-S194 PolarHBondContact O-N 2.75Å
191	Q	38.9	Very low	37	Very low	129 Å²	129	137 Å²	137	60%	0.603	66%	0.661	S	S	*	*	H	α-helix	trans	-63.6	-43.1	175.5	-74.6	-169.7	-15.4	0	0	111.8	L188 N189 S194 L195	L188-Q191 PolarHBondContact O-N 2.91Å; N189-Q191 VanDerWaalsContact C-N 3.32Å; N189-Q191 PolarHBondContact O-N 2.8Å; Q191-S194 PolarHBondContact O-N 2.03Å; Q191-S194 PolarHBondContact O-OG 3.04Å; Q191-L195 WeakPolarHBondContact O-CG 3.02Å; Q191-L195 PolarHBondContact O-N 3.3Å
192	F	37.5	Very low	36.6	Very low	124 Å²	124	136.9 Å²	136.9	54%	0.544	66%	0.659	S	S	.	*	H	α-helix	trans	-64.5	-44.8	176.3	-90.7	-85.9	0	0	0	113	L188 N189 S194 L195 F196	L188-F192 HydrophobicContact CD2-CE2 4.38Å; L188-F192 PolarHBondContact O-N 3.4Å; N189-F192 PolarHBondContact O-N 2.96Å; F192-S194 VanDerWaalsContact C-N 3.3Å; F192-S194 PolarHBondContact O-N 3.3Å; F192-L195 PolarHBondContact O-N 3.24Å; F192-F196 PolarHBondContact O-N 3.44Å
193	E	38.7	Very low	36.3	Very low	106 Å²	106	139.2 Å²	139.2	50%	0.495	66%	0.662	S	S	.	*	H	α-helix	trans	-55.6	-44.1	172.5	-94.2	-83.9	147.7	0	0	111.6	N189 E190 L195 F196 R197	N189-E193 PolarHBondContact O-N 3.14Å; E190-E193 PolarHBondContact O-N 2.96Å; E193-L195 VanDerWaalsContact C-N 3.32Å; E193-L195 PolarHBondContact O-N 3.46Å; E193-F196 PolarHBondContact O-N 3.19Å; E193-R197 WeakPolarHBondContact O-CG 3.36Å; E193-R197 PolarHBondContact O-N 3.5Å; E193-R197 IonicContact OE2-CZ 3.98Å; E193-R197 IonicContact OE2-NE 3.18Å; E193-R197 PolarHBondContact OE2-NE 2.88Å; E193-R197 IonicContact OE2-NH2 2.59Å; E193-R197 PolarHBondContact OE2-NH2 2.87Å
194	S	37.3	Very low	35.9	Very low	55 Å²	55	140.2 Å²	140.2	39%	0.385	67%	0.666	S	S	.	*	H	α-helix	trans	-63.3	-34.9	-179	84	0	0	0	0	113.5	E190 Q191 F192 K198	E190-S194 WeakPolarHBondContact O-CB 3.35Å; E190-S194 PolarHBondContact O-N 2.75Å; Q191-S194 PolarHBondContact O-N 2.03Å; Q191-S194 PolarHBondContact O-OG 3.04Å; F192-S194 VanDerWaalsContact C-N 3.3Å; F192-S194 PolarHBondContact O-N 3.3Å; S194-K198 PolarHBondContact O-N 2.76Å
195	L	33.8	Very low	35.4	Very low	111 Å²	111	138.7 Å²	138.7	58%	0.581	67%	0.666	S	S	*	*	H	α-helix	trans	-73.3	-36.8	179.9	-75.3	166.4	0	0	0	112.2	Q191 F192 E193	Q191-L195 WeakPolarHBondContact O-CG 3.02Å; Q191-L195 PolarHBondContact O-N 3.3Å; F192-L195 PolarHBondContact O-N 3.24Å; E193-L195 VanDerWaalsContact C-N 3.32Å; E193-L195 PolarHBondContact O-N 3.46Å
196	F	36	Very low	35	Very low	149 Å²	149	143.2 Å²	143.2	65%	0.654	68%	0.681	S	S	*	*	H	α-helix	trans	-74	-39.3	174.8	-84.5	-82.3	0	0	0	112.7	F192 E193 K198 K199	F192-F196 PolarHBondContact O-N 3.44Å; E193-F196 PolarHBondContact O-N 3.19Å; F196-K198 VanDerWaalsContact C-N 3.33Å; F196-K198 PolarHBondContact O-N 2.02Å; F196-K199 PolarHBondContact O-N 3.44Å
197	R	36.7	Very low	34.5	Very low	176 Å²	176	143.1 Å²	143.1	66%	0.664	69%	0.685	S	S	*	*	H	α-helix	trans	-61.6	-37.4	177	-71.7	-178.6	-170.8	-144.4	4.5	113	E193 K199 N200	E193-R197 WeakPolarHBondContact O-CG 3.36Å; E193-R197 PolarHBondContact O-N 3.5Å; E193-R197 IonicContact OE2-CZ 3.98Å; E193-R197 IonicContact OE2-NE 3.18Å; E193-R197 PolarHBondContact OE2-NE 2.88Å; E193-R197 IonicContact OE2-NH2 2.59Å; E193-R197 PolarHBondContact OE2-NH2 2.87Å; R197-K199 VanDerWaalsContact C-N 3.31Å; R197-K199 PolarHBondContact O-N 3.47Å; R197-N200 PolarHBondContact O-N 2.98Å
198	K	34.5	Very low	34.1	Very low	163 Å²	163	142.9 Å²	142.9	71%	0.709	69%	0.691	S	S	*	*	H	α-helix	trans	-66.6	-23.2	-179.7	-81.4	-179.9	175.3	175.9	0	114.7	S194 F196	S194-K198 PolarHBondContact O-N 2.76Å; F196-K198 VanDerWaalsContact C-N 3.33Å; F196-K198 PolarHBondContact O-N 2.02Å
199	K	34.8	Very low	33.7	Very low	176 Å²	176	147.4 Å²	147.4	77%	0.765	71%	0.707	S	S	*	*	H	α-helix	trans	-79.8	-14.3	-179.7	-82.6	-174.1	173.6	179.1	0	115	F196 R197	F196-K199 PolarHBondContact O-N 3.44Å; R197-K199 VanDerWaalsContact C-N 3.31Å; R197-K199 PolarHBondContact O-N 3.47Å
200	N	35.3	Very low	33.4	Very low	146 Å²	146	148.3 Å²	148.3	78%	0.781	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	7.3	179.2	-70.3	-19	0	0	0	114.1	R197 L202	R197-N200 PolarHBondContact O-N 2.98Å; N200-L202 PolarHBondContact O-N 3.21Å
201	L	26.9	Very low	32.7	Very low	147 Å²	147	148.1 Å²	148.1	77%	0.77	72%	0.715	S	S	*	*			trans	-100.8	52.8	-176.9	-91	163.2	0	0	0	113.1
202	L	26.8	Very low	32.1	Very low	149 Å²	149	148.6 Å²	148.6	78%	0.78	72%	0.722	S	S	*	*			trans	-136.9	123.3	174.6	-91.3	168.7	0	0	0	113.1	N200	N200-L202 PolarHBondContact O-N 3.21Å
203	K	27.9	Very low	31.6	Very low	190 Å²	190	151.2 Å²	151.2	83%	0.826	74%	0.736	S	S	*	*			trans	60.6	70	161.7	-58.6	-177	179.2	179.2	0	118.6
204	I	30.8	Very low	31	Very low	174 Å²	174	154.3 Å²	154.3	89%	0.892	75%	0.75	S	S	*	*				-128.8	95.6	129.2	-56.4	-178	0	0	0	107.9
205	N	25.7	Very low	30.4	Very low	151 Å²	151	158.5 Å²	158.5	81%	0.807	77%	0.768	S	S	*	*			trans	-119.1	94.9	173	-169.1	11.9	0	0	0	108.6
206	K	34	Very low	30.1	Very low	200 Å²	200	161 Å²	161	87%	0.87	78%	0.776	S	S	*	*			trans	-151	114.7	171.4	-123.7	176.3	-176.2	-178.9	0	110.6
207	N	29.3	Very low	29.9	Very low	139 Å²	139	159.4 Å²	159.4	74%	0.743	77%	0.774	S	S	*	*			trans	-44.6	137.2	-179.2	-50.1	-27.9	0	0	0	113.5
208	N	33.4	Very low	29.7	Very low	163 Å²	163	156.5 Å²	156.5	87%	0.872	77%	0.771	S	S	*	*				-157.5	143.3	109	-98.6	-18.4	0	0	0	111.6
209	K	28.7	Very low	29.8	Very low	192 Å²	192	154 Å²	154	84%	0.835	76%	0.764	S	S	*	*			trans	-82.6	136.2	170.5	-59.5	174.8	179.4	177.6	0	108.4
210	N	32.9	Very low	30.4	Very low	137 Å²	137	149.7 Å²	149.7	73%	0.733	75%	0.749	S	S	*	*				170	119.9	116.7	-84.3	-10.1	0	0	0	111.8
211	N	27.3	Very low	31.2	Very low	134 Å²	134	143.9 Å²	143.9	72%	0.717	72%	0.718	S	S	*	*			trans	52.9	119.2	131.8	-60.3	7.9	0	0	0	121.2
212	N	25.9	Very low	32.5	Very low	139 Å²	139	138 Å²	138	74%	0.743	69%	0.687	S	S	*	*			trans	99.8	144	134.8	-61.7	-1.3	0	0	0	120.5
213	H	27.1	Very low	33.7	Very low	179 Å²	179	131 Å²	131	83%	0.829	65%	0.651	S	S	*	*			trans	65.8	129	173.6	-67.4	-71.4	0	0	0	120	N215	H213-N215 PolarHBondContact O-N 2.93Å
214	H	26	Very low	34.8	Very low	171 Å²	171	123 Å²	123	79%	0.792	62%	0.619	S	S	*	*			trans	-49.5	124.5	161.3	-73.8	-83	0	0	0	110.7
215	N	25.6	Very low	35.6	Very low	142 Å²	142	121.1 Å²	121.1	76%	0.759	60%	0.601	S	S	*	*			trans	-154.6	93.1	138.9	-105.3	-29.3	0	0	0	108.5	H213 N217	H213-N215 PolarHBondContact O-N 2.93Å; N215-N217 PolarHBondContact O-N 3.29Å; N215-N217 PolarHBondContact O-ND2 3.1Å; N215-N217 VanDerWaalsContact O-ND2 3.13Å
216	H	27.6	Very low	36.4	Very low	165 Å²	165	121.4 Å²	121.4	76%	0.764	60%	0.603	S	S	*	*			trans	-58.9	106.1	166.7	-95.9	-77.6	0	0	0	107.2	I218	H216-I218 HydrophobicContact CB-CG1 4.17Å; H216-I218 PolarHBondContact O-N 2.59Å
217	N	29.9	Very low	37.2	Very low	114 Å²	114	113.6 Å²	113.6	61%	0.61	57%	0.572	S	S	*	*			trans	-71.9	79.5	176.3	-91.3	-120.7	0	0	0	108.3	K2 N215 I219	K2-N217 PolarHBondContact NZ-OD1 2.87Å; N215-N217 PolarHBondContact O-N 3.29Å; N215-N217 PolarHBondContact O-ND2 3.1Å; N215-N217 VanDerWaalsContact O-ND2 3.13Å; N217-I219 PolarHBondContact O-N 2.87Å
218	I	32.5	Very low	38.3	Very low	116 Å²	116	110 Å²	110	60%	0.595	55%	0.551	S	S	*	*			trans	-71.4	72.3	175.8	-62	175.9	0	0	0	108.2	H216 D220	H216-I218 HydrophobicContact CB-CG1 4.17Å; H216-I218 PolarHBondContact O-N 2.59Å; I218-D220 HydrophobicContact CG2-CB 3.71Å; I218-D220 PolarHBondContact O-N 3.14Å
219	I	38.2	Very low	39.7	Very low	109 Å²	109	104.2 Å²	104.2	56%	0.559	52%	0.519	S	S	*	.			trans	-84.4	63.9	151.9	-51.7	179	0	0	0	105.3	K2 N217	K2-I219 HydrophobicContact CD-CD1 3.79Å; N217-I219 PolarHBondContact O-N 2.87Å
220	D	45.7	Very low	41.2	Very low	86 Å²	86	98.9 Å²	98.9	46%	0.46	50%	0.499	S	S	.	.			trans	-65.6	139.4	174.7	-97.5	-3.9	0	0	0	108.8	W33 I218 I222	W33-D220 HydrophobicContact CH2-CB 4.21Å; W33-D220 HydrophobicContact CZ2-CB 4.17Å; I218-D220 HydrophobicContact CG2-CB 3.71Å; I218-D220 PolarHBondContact O-N 3.14Å; D220-I222 PolarHBondContact O-N 2.9Å
221	N	52.6	Low	42.9	Very low	25 Å²	25	94.4 Å²	94.4	13%	0.134	48%	0.475	C	S	.	.			trans	-67	104.9	-174.2	-48.1	-79.9	0	0	0	108.8	Y6 H31 L223 Y225	Y6-N221 HydrophobicContact CE2-CB 3.54Å; Y6-N221 VanDerWaalsContact CE2-OD1 3.26Å; Y6-N221 WeakPolarHBondContact CE2-OD1 3.36Å; Y6-N221 WeakPolarHBondContact OH-CB 3.31Å; Y6-N221 PolarHBondContact OH-OD1 2.88Å; H31-N221 PolarHBondContact CD2-O 2.83Å; H31-N221 VanDerWaalsContact CD2-O 3.32Å; N221-L223 WeakPolarHBondContact CB-O 3.07Å; N221-L223 PolarHBondContact O-N 3.18Å; N221-L223 VanDerWaalsContact O-N 3.07Å; N221-Y225 PolarHBondContact ND2-OH 3.01Å; N221-Y225 VanDerWaalsContact ND2-OH 3.15Å
222	I	54.9	Low	44.7	Very low	23 Å²	23	91.3 Å²	91.3	12%	0.118	46%	0.458	C	S	.	.	S	Bend	trans	-55.3	-30.2	179.3	-67.4	168.5	0	0	0	111.4	I30 H31 I34 L39 L107 T109 D220	I30-I222 WeakPolarHBondContact CA-O 3.48Å; I30-I222 HydrophobicContact CG2-CG2 4.33Å; H31-I222 PolarHBondContact N-O 3.07Å; I34-I222 HydrophobicContact CD1-CB 4.14Å; I34-I222 HydrophobicContact CD1-CG1 4.27Å; I34-I222 HydrophobicContact CD1-CG2 4.05Å; L39-I222 HydrophobicContact CD1-CG2 4.46Å; L39-I222 HydrophobicContact CD2-CD1 4.16Å; L39-I222 HydrophobicContact CD2-CG2 3.82Å; L107-I222 HydrophobicContact CB-CG2 4.36Å; L107-I222 WeakPolarHBondContact O-CD1 3.37Å; T109-I222 HydrophobicContact CG2-CD1 3.81Å; T109-I222 HydrophobicContact CG2-CG1 4.06Å; D220-I222 PolarHBondContact O-N 2.9Å
223	L	52.7	Low	46.9	Very low	3 Å²	3	86.6 Å²	86.6	2%	0.016	43%	0.432	C	S	.	.	B	Isolated β-bridge	trans	-107.7	146	-179.5	-69.2	161.4	0	0	0	110.7	Y6 T28 I30 L107 N221 T227 I229	Y6-L223 HydrophobicContact CD1-CB 4.02Å; Y6-L223 HydrophobicContact CD1-CD1 4.35Å; Y6-L223 HydrophobicContact CE1-CB 4.46Å; Y6-L223 HydrophobicContact CG-CB 4.18Å; Y6-L223 HydrophobicContact CG-CD1 4.06Å; T28-L223 HydrophobicContact CG2-CD2 3.44Å; T28-L223 VanDerWaalsContact CG2-CD2 3.44Å; T28-L223 WeakPolarHBondContact OG1-CD2 3.49Å; I30-L223 HydrophobicContact CG2-CD2 4.48Å; L107-L223 HydrophobicContact CD1-CD1 4.28Å; L107-L223 HydrophobicContact CD1-CD2 4.24Å; L107-L223 HydrophobicContact CD1-CG 4.43Å; N221-L223 WeakPolarHBondContact CB-O 3.07Å; N221-L223 PolarHBondContact O-N 3.18Å; N221-L223 VanDerWaalsContact O-N 3.07Å; L223-T227 HydrophobicContact CB-CG2 4.22Å; L223-T227 HydrophobicContact CD2-CG2 4.17Å; L223-I229 HydrophobicContact CD1-CD1 4.08Å
224	S	51	Low	48.9	Very low	21 Å²	21	79.7 Å²	79.7	15%	0.147	40%	0.4	C	S	.	.			trans	-56.8	146	168.9	-169.9	0	0	0	0	111.3	Y78 N226 T227	Y78-S224 VanDerWaalsContact CE1-CA 3.48Å; Y78-S224 WeakPolarHBondContact CE2-OG 3.37Å; Y78-S224 VanDerWaalsContact CZ-CB 3.49Å; Y78-S224 VanDerWaalsContact CZ-OG 3.22Å; S224-N226 PolarHBondContact O-N 3.46Å; S224-T227 WeakPolarHBondContact O-CG2 3.49Å; S224-T227 PolarHBondContact O-N 3.46Å; S224-T227 PolarHBondContact O-OG1 3.24Å
225	Y	45.9	Very low	51.3	Low	135 Å²	135	72.7 Å²	72.7	53%	0.529	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	129.6	152.7	-60.5	-81.6	0	0	0	108.1	N221	N221-Y225 PolarHBondContact ND2-OH 3.01Å; N221-Y225 VanDerWaalsContact ND2-OH 3.15Å
226	N	44.2	Very low	53.5	Low	157 Å²	157	69.8 Å²	69.8	84%	0.84	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	20.2	-176.3	-48.6	-14.3	0	0	0	117.9	S224	S224-N226 PolarHBondContact O-N 3.46Å
227	T	50.6	Low	55.3	Low	35 Å²	35	67 Å²	67	22%	0.215	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-67.9	133.1	168.6	54.3	0	0	0	0	113	Y29 L223 S224	Y29-T227 WeakPolarHBondContact O-CG2 3.25Å; L223-T227 HydrophobicContact CB-CG2 4.22Å; L223-T227 HydrophobicContact CD2-CG2 4.17Å; S224-T227 WeakPolarHBondContact O-CG2 3.49Å; S224-T227 PolarHBondContact O-N 3.46Å; S224-T227 PolarHBondContact O-OG1 3.24Å
228	Q	52.3	Low	56.8	Low	65 Å²	65	65 Å²	65	30%	0.304	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-82.3	146.3	149.3	-76.8	-174.1	-0.9	0	0	110	T28 D277 N279	T28-Q228 PolarHBondContact OG1-O 3.06Å; Q228-D277 PolarHBondContact NE2-OD1 3.06Å; Q228-N279 HydrophobicContact CG-CB 4.4Å; Q228-N279 WeakPolarHBondContact CG-ND2 3.48Å
229	I	62.7	Low	58.4	Low	40 Å²	40	61.1 Å²	61.1	21%	0.205	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-101.1	117.3	164	-64.7	171.9	0	0	0	106.3	F8 I26 S27 L223	F8-I229 HydrophobicContact CB-CD1 4.16Å; F8-I229 HydrophobicContact CD1-CD1 3.32Å; F8-I229 HydrophobicContact CD1-CG2 4.48Å; F8-I229 HydrophobicContact CD2-CG2 4.27Å; F8-I229 HydrophobicContact CE1-CD1 3.77Å; F8-I229 HydrophobicContact CE1-CG2 4.31Å; F8-I229 HydrophobicContact CE2-CG2 4.09Å; F8-I229 HydrophobicContact CG-CD1 3.82Å; F8-I229 HydrophobicContact CG-CG2 4.46Å; F8-I229 HydrophobicContact CZ-CG2 4.11Å; I26-I229 HydrophobicContact CD1-CG2 3.81Å; I26-I229 HydrophobicContact CG1-CG2 3.68Å; S27-I229 CarbonylContact O-C 3.58Å; S27-I229 WeakPolarHBondContact O-CA 3.47Å; L223-I229 HydrophobicContact CD1-CD1 4.08Å
230	I	59.2	Low	59.6	Low	80 Å²	80	61.1 Å²	61.1	41%	0.41	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	108.8	-177.6	-59	172	0	0	0	108.1	S27	S27-I230 PolarHBondContact N-O 3.47Å; S27-I230 PolarHBondContact O-N 3.45Å; S27-I230 PolarHBondContact OG-O 3.08Å
231	L	68.8	Low	60.1	Low	44 Å²	44	61.1 Å²	61.1	23%	0.23	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	109.4	168.3	176.8	61.2	0	0	0	109	F10 I85 M233	F10-L231 HydrophobicContact CD2-CD2 4.36Å; F10-L231 HydrophobicContact CE2-CD2 4.2Å; F10-L231 HydrophobicContact CZ-CD2 4.31Å; I85-L231 HydrophobicContact CD1-CD1 3.72Å; L231-M233 HydrophobicContact CD1-CG 4.02Å; L231-M233 HydrophobicContact CD1-SD 4.13Å; L231-M233 HydrophobicContact CD2-CE 3.74Å; L231-M233 HydrophobicContact CD2-SD 4Å; L231-M233 HydrophobicContact CG-CE 3.98Å; L231-M233 HydrophobicContact CG-CG 4.07Å; L231-M233 HydrophobicContact CG-SD 4.04Å
232	N	65.4	Low	60.5	Low	69 Å²	69	63.4 Å²	63.4	37%	0.369	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.7	177.3	-173	-13.5	0	0	0	109.3	A24 T25	A24-N232 CarbonylContact C-O 3.55Å; A24-N232 WeakPolarHBondContact CA-O 3.36Å; T25-N232 PolarHBondContact N-O 3.38Å; T25-N232 PolarHBondContact O-N 3.16Å
233	M	71.7	Confident	60.7	Low	39 Å²	39	67 Å²	67	19%	0.192	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	115.5	-176.9	-65.3	-176.7	-67.5	0	0	109.9	I15 I21 L23 A24 I89 L231	I15-M233 HydrophobicContact CD1-CE 3.74Å; I15-M233 HydrophobicContact CG2-CE 3.86Å; I21-M233 HydrophobicContact CD1-CB 3.97Å; I21-M233 HydrophobicContact CD1-CG 4.12Å; I21-M233 HydrophobicContact CD1-SD 3.53Å; I21-M233 VanDerWaalsContact CD1-SD 3.53Å; I21-M233 HydrophobicContact CG1-CB 4.45Å; I21-M233 HydrophobicContact CG2-CB 4.39Å; L23-M233 CarbonylContact O-C 3.59Å; L23-M233 WeakPolarHBondContact O-CA 3.46Å; A24-M233 HydrophobicContact CB-CG 3.93Å; I89-M233 HydrophobicContact CD1-SD 4.4Å; I89-M233 HydrophobicContact CG2-SD 4.36Å; L231-M233 HydrophobicContact CD1-CG 4.02Å; L231-M233 HydrophobicContact CD1-SD 4.13Å; L231-M233 HydrophobicContact CD2-CE 3.74Å; L231-M233 HydrophobicContact CD2-SD 4Å; L231-M233 HydrophobicContact CG-CE 3.98Å; L231-M233 HydrophobicContact CG-CG 4.07Å; L231-M233 HydrophobicContact CG-SD 4.04Å
234	K	70.3	Confident	60.5	Low	35 Å²	35	72 Å²	72	15%	0.152	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.3	-177.2	-50	-166.1	-167.9	-169	0	111	H22 L23 I238 L239 E242	H22-K234 PolarHBondContact N-O 3.32Å; L23-K234 HydrophobicContact CB-CB 4.43Å; L23-K234 HydrophobicContact CD2-CD 4.41Å; L23-K234 PolarHBondContact N-O 3.39Å; L23-K234 VanDerWaalsContact N-O 3.12Å; L23-K234 PolarHBondContact O-N 2.98Å; K234-I238 HydrophobicContact CB-CB 4.36Å; K234-I238 HydrophobicContact CB-CG2 4.16Å; K234-I238 HydrophobicContact CD-CG2 4.09Å; K234-I238 HydrophobicContact CG-CG2 4.25Å; K234-L239 HydrophobicContact CB-CD2 4.15Å; K234-L239 HydrophobicContact CB-CG 4.07Å; K234-L239 HydrophobicContact CD-CD2 3.81Å; K234-E242 WeakPolarHBondContact CD-OE2 3.4Å; K234-E242 IonicContact NZ-OE1 3.6Å; K234-E242 PolarHBondContact NZ-OE1 3.06Å; K234-E242 IonicContact NZ-OE2 2.66Å; K234-E242 PolarHBondContact NZ-OE2 2.96Å
235	T	76.4	Confident	60.2	Low	24 Å²	24	78.7 Å²	78.7	15%	0.147	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	167	167.1	62.6	0	0	0	0	110.1	N19 N237 I238 L239	N19-T235 HydrophobicContact CB-CG2 3.58Å; T235-N237 VanDerWaalsContact C-N 3.26Å; T235-N237 PolarHBondContact O-N 2.79Å; T235-I238 PolarHBondContact O-N 3.02Å; T235-I238 WeakPolarHBondContact OG1-CG1 3.36Å; T235-I238 PolarHBondContact OG1-N 2.93Å; T235-L239 PolarHBondContact O-N 2.91Å
236	L	72.1	Confident	60.3	Low	80 Å²	80	78.3 Å²	78.3	42%	0.419	39%	0.392	S	S	.	.	H	α-helix	trans	-56.9	-42.4	175.2	-177.8	61.6	0	0	0	111.6	H22 I238 L239 Q240	H22-L236 HydrophobicContact CB-CB 4.44Å; L236-I238 VanDerWaalsContact C-N 3.34Å; L236-I238 PolarHBondContact O-N 3.41Å; L236-L239 PolarHBondContact O-N 3.23Å; L236-Q240 WeakPolarHBondContact O-CG 3.33Å; L236-Q240 PolarHBondContact O-N 2.81Å
237	N	64.1	Low	60.2	Low	107 Å²	107	77.8 Å²	77.8	57%	0.572	39%	0.388	S	S	*	.	H	α-helix	trans	-62.3	-39.1	-179.1	-53.5	33.8	0	0	0	112.1	T235 Q240 L241	T235-N237 VanDerWaalsContact C-N 3.26Å; T235-N237 PolarHBondContact O-N 2.79Å; N237-Q240 PolarHBondContact O-N 2.9Å; N237-L241 VanDerWaalsContact O-CG 3.3Å; N237-L241 WeakPolarHBondContact O-CG 3Å; N237-L241 PolarHBondContact O-N 2.77Å
238	I	61.9	Low	59.4	Low	72 Å²	72	83.9 Å²	83.9	37%	0.369	41%	0.411	S	S	.	.	H	α-helix	trans	-65.7	-43.7	176.9	-67.9	168.3	0	0	0	110.3	K234 T235 L236 Q240 L241 E242	K234-I238 HydrophobicContact CB-CB 4.36Å; K234-I238 HydrophobicContact CB-CG2 4.16Å; K234-I238 HydrophobicContact CD-CG2 4.09Å; K234-I238 HydrophobicContact CG-CG2 4.25Å; T235-I238 PolarHBondContact O-N 3.02Å; T235-I238 WeakPolarHBondContact OG1-CG1 3.36Å; T235-I238 PolarHBondContact OG1-N 2.93Å; L236-I238 VanDerWaalsContact C-N 3.34Å; L236-I238 PolarHBondContact O-N 3.41Å; I238-Q240 VanDerWaalsContact C-N 3.33Å; I238-Q240 PolarHBondContact O-N 2.94Å; I238-L241 PolarHBondContact O-N 3.32Å; I238-E242 HydrophobicContact CG2-CG 4.48Å; I238-E242 WeakPolarHBondContact O-CG 3.15Å; I238-E242 PolarHBondContact O-N 3.34Å
239	L	65.1	Low	58.8	Low	34 Å²	34	89.9 Å²	89.9	18%	0.178	44%	0.437	C	S	.	.	H	α-helix	trans	-63.1	-38.6	176.3	-66.4	168.4	0	0	0	112.2	H22 L23 K234 T235 L236 N243	H22-L239 HydrophobicContact CB-CD1 3.91Å; L23-L239 HydrophobicContact CB-CD1 4.17Å; L23-L239 HydrophobicContact CD2-CD2 4.11Å; K234-L239 HydrophobicContact CB-CD2 4.15Å; K234-L239 HydrophobicContact CB-CG 4.07Å; K234-L239 HydrophobicContact CD-CD2 3.81Å; T235-L239 PolarHBondContact O-N 2.91Å; L236-L239 PolarHBondContact O-N 3.23Å; L239-N243 WeakPolarHBondContact O-CB 3.49Å; L239-N243 VanDerWaalsContact O-CG 3.26Å; L239-N243 PolarHBondContact O-N 2.72Å; L239-N243 VanDerWaalsContact O-N 3.1Å; L239-N243 PolarHBondContact O-ND2 2.8Å
240	Q	64.7	Low	57.3	Low	109 Å²	109	99.1 Å²	99.1	51%	0.509	47%	0.469	S	S	.	.	H	α-helix	trans	-63	-45.6	174.9	-73.9	170	-28.8	0	0	111.7	L236 N237 I238 N243 Q244	L236-Q240 WeakPolarHBondContact O-CG 3.33Å; L236-Q240 PolarHBondContact O-N 2.81Å; N237-Q240 PolarHBondContact O-N 2.9Å; I238-Q240 VanDerWaalsContact C-N 3.33Å; I238-Q240 PolarHBondContact O-N 2.94Å; Q240-N243 PolarHBondContact O-N 3.25Å; Q240-Q244 WeakPolarHBondContact O-CB 3.21Å; Q240-Q244 PolarHBondContact O-N 2.8Å
241	L	55	Low	56.3	Low	86 Å²	86	102.9 Å²	102.9	45%	0.45	49%	0.489	S	S	.	.	H	α-helix	trans	-63.9	-45.9	177	-70.9	165	0	0	0	111.9	N237 I238 N243 Q244 Y245	N237-L241 VanDerWaalsContact O-CG 3.3Å; N237-L241 WeakPolarHBondContact O-CG 3Å; N237-L241 PolarHBondContact O-N 2.77Å; I238-L241 PolarHBondContact O-N 3.32Å; L241-N243 VanDerWaalsContact C-N 3.34Å; L241-N243 PolarHBondContact O-N 3.13Å; L241-Q244 PolarHBondContact O-N 3.33Å; L241-Q244 VanDerWaalsContact O-N 3.17Å; L241-Y245 HydrophobicContact CD2-CE2 4.1Å; L241-Y245 VanDerWaalsContact O-CD2 3.24Å; L241-Y245 WeakPolarHBondContact O-CD2 3.45Å; L241-Y245 PolarHBondContact O-N 2.85Å
242	E	62.4	Low	54.4	Low	73 Å²	73	107.8 Å²	107.8	34%	0.341	51%	0.514	S	S	.	.	H	α-helix	trans	-56.5	-47.5	176.7	-74.6	-179.1	153	0	0	111.5	K234 I238 Q244 Y245 L246	K234-E242 WeakPolarHBondContact CD-OE2 3.4Å; K234-E242 IonicContact NZ-OE1 3.6Å; K234-E242 PolarHBondContact NZ-OE1 3.06Å; K234-E242 IonicContact NZ-OE2 2.66Å; K234-E242 PolarHBondContact NZ-OE2 2.96Å; I238-E242 HydrophobicContact CG2-CG 4.48Å; I238-E242 WeakPolarHBondContact O-CG 3.15Å; I238-E242 PolarHBondContact O-N 3.34Å; E242-Q244 PolarHBondContact O-N 3.25Å; E242-Y245 PolarHBondContact O-N 3.46Å; E242-L246 VanDerWaalsContact O-CB 3.32Å; E242-L246 WeakPolarHBondContact O-CB 3.47Å; E242-L246 WeakPolarHBondContact O-CD1 3.31Å; E242-L246 VanDerWaalsContact O-CG 3.29Å; E242-L246 WeakPolarHBondContact O-CG 3.48Å; E242-L246 PolarHBondContact O-N 3.06Å
243	N	57.9	Low	52.6	Low	100 Å²	100	112 Å²	112	54%	0.535	53%	0.531	S	S	.	.	H	α-helix	trans	-62.7	-41.3	176.4	-70.6	-17	0	0	0	112.3	L239 Q240 L241 Y245 I247	L239-N243 WeakPolarHBondContact O-CB 3.49Å; L239-N243 VanDerWaalsContact O-CG 3.26Å; L239-N243 PolarHBondContact O-N 2.72Å; L239-N243 VanDerWaalsContact O-N 3.1Å; L239-N243 PolarHBondContact O-ND2 2.8Å; Q240-N243 PolarHBondContact O-N 3.25Å; L241-N243 VanDerWaalsContact C-N 3.34Å; L241-N243 PolarHBondContact O-N 3.13Å; N243-Y245 VanDerWaalsContact C-N 3.34Å; N243-Y245 PolarHBondContact O-N 2.92Å; N243-I247 WeakPolarHBondContact O-CD1 3.43Å; N243-I247 WeakPolarHBondContact O-CG1 3.25Å; N243-I247 PolarHBondContact O-N 3.28Å
244	Q	49.7	Very low	50.6	Low	107 Å²	107	121 Å²	121	50%	0.5	56%	0.563	S	S	.	*	H	α-helix	trans	-63.5	-36.4	-179.7	-171	178.6	17.6	0	0	112.7	Q240 L241 E242	Q240-Q244 WeakPolarHBondContact O-CB 3.21Å; Q240-Q244 PolarHBondContact O-N 2.8Å; L241-Q244 PolarHBondContact O-N 3.33Å; L241-Q244 VanDerWaalsContact O-N 3.17Å; E242-Q244 PolarHBondContact O-N 3.25Å
245	Y	44.2	Very low	48.7	Very low	161 Å²	161	124.6 Å²	124.6	63%	0.631	59%	0.592	S	S	*	*	H	α-helix	trans	-91.2	-27.5	-179.4	-71.9	-69.7	0	0	0	114.3	L241 E242 N243 I247	L241-Y245 HydrophobicContact CD2-CE2 4.1Å; L241-Y245 VanDerWaalsContact O-CD2 3.24Å; L241-Y245 WeakPolarHBondContact O-CD2 3.45Å; L241-Y245 PolarHBondContact O-N 2.85Å; E242-Y245 PolarHBondContact O-N 3.46Å; N243-Y245 VanDerWaalsContact C-N 3.34Å; N243-Y245 PolarHBondContact O-N 2.92Å; Y245-I247 VanDerWaalsContact C-N 3.3Å; Y245-I247 PolarHBondContact O-N 3.26Å
246	L	48.3	Very low	46.3	Very low	128 Å²	128	131 Å²	131	67%	0.67	62%	0.618	S	S	*	*	H	α-helix	trans	-64.4	-33.6	174.3	-81.4	165.7	0	0	0	112.9	E242	E242-L246 VanDerWaalsContact O-CB 3.32Å; E242-L246 WeakPolarHBondContact O-CB 3.47Å; E242-L246 WeakPolarHBondContact O-CD1 3.31Å; E242-L246 VanDerWaalsContact O-CG 3.29Å; E242-L246 WeakPolarHBondContact O-CG 3.48Å; E242-L246 PolarHBondContact O-N 3.06Å
247	I	40.6	Very low	44.4	Very low	146 Å²	146	134.2 Å²	134.2	75%	0.749	64%	0.635	S	S	*	*	H	α-helix	trans	-78.1	-29.2	-176.8	-65.2	170.4	0	0	0	112.3	N243 Y245 K249	N243-I247 WeakPolarHBondContact O-CD1 3.43Å; N243-I247 WeakPolarHBondContact O-CG1 3.25Å; N243-I247 PolarHBondContact O-N 3.28Å; Y245-I247 VanDerWaalsContact C-N 3.3Å; Y245-I247 PolarHBondContact O-N 3.26Å; I247-K249 PolarHBondContact O-N 3.45Å
248	K	35.4	Very low	42.7	Very low	162 Å²	162	135.5 Å²	135.5	70%	0.704	64%	0.641	S	S	*	*			trans	-81.2	31.4	-174.5	-79.4	-166.5	169.3	-169.9	0	115.3	R250	K248-R250 VanDerWaalsContact C-N 3.31Å; K248-R250 PolarHBondContact O-N 2.87Å
249	K	39.7	Very low	41	Very low	192 Å²	192	139.9 Å²	139.9	84%	0.835	66%	0.66	S	S	*	*			trans	-89.6	29.6	-173.9	-135.8	179.8	-175.4	-173.4	0	115.1	I247	I247-K249 PolarHBondContact O-N 3.45Å
250	R	31.1	Very low	39.3	Very low	233 Å²	233	142.6 Å²	142.6	88%	0.879	68%	0.681	S	S	*	*			trans	-139.5	147.4	177.6	-76.2	-179.2	168.7	168.2	-4.7	109.9	K248	K248-R250 VanDerWaalsContact C-N 3.31Å; K248-R250 PolarHBondContact O-N 2.87Å
251	L	36.7	Very low	37.5	Very low	159 Å²	159	144 Å²	144	83%	0.832	69%	0.692	S	S	*	*			trans	67.3	112.4	-167.9	-44.4	176.7	0	0	0	110.7
252	I	30.4	Very low	36.4	Very low	148 Å²	148	148.9 Å²	148.9	76%	0.759	71%	0.71	S	S	*	*			cis	66.3	128.1	35.5	-41.8	177.9	0	0	0	113.3
253	H	27.3	Very low	34.8	Very low	157 Å²	157	152.2 Å²	152.2	73%	0.727	73%	0.729	S	S	*	*			trans	73.2	133	165.1	-90.5	-54.1	0	0	0	120.7
254	R	28.5	Very low	33.3	Very low	229 Å²	229	153.7 Å²	153.7	86%	0.864	74%	0.736	S	S	*	*			trans	73.2	135.4	156.4	-60.6	163	-168.7	-166.8	1.8	114.8
255	S	30.3	Very low	32.2	Very low	109 Å²	109	155 Å²	155	76%	0.762	75%	0.746	S	S	*	*			cis	-149.9	165.7	-0.8	52	0	0	0	0	112
256	F	26.5	Very low	31.5	Very low	158 Å²	158	155.7 Å²	155.7	69%	0.693	76%	0.755	S	S	*	*			trans	-67.6	178.5	157.6	-84.7	-107.4	0	0	0	110.6
257	L	32.5	Very low	30.6	Very low	149 Å²	149	160.1 Å²	160.1	78%	0.78	76%	0.764	S	S	*	*			trans	101.8	116.8	-169.3	-60.8	164.1	0	0	0	110.2
258	I	28.2	Very low	30.1	Very low	133 Å²	133	161 Å²	161	68%	0.682	77%	0.771	S	S	*	*			cis	64.9	120.2	48.7	-49.9	168.4	0	0	0	107.8
259	E	26.4	Very low	30.2	Very low	165 Å²	165	160.1 Å²	160.1	77%	0.771	77%	0.772	S	S	*	*			cis	-156.3	142	38	-149.6	141.6	-128.9	0	0	113.9
260	S	30.2	Very low	30.5	Very low	90 Å²	90	155.3 Å²	155.3	63%	0.629	75%	0.753	S	S	*	*			trans	53.5	148.8	142.7	86.4	0	0	0	0	124.2
261	N	26.8	Very low	31.5	Very low	139 Å²	139	149 Å²	149	74%	0.743	74%	0.744	S	S	*	*			trans	59	85.5	139.3	-60.5	-20.1	0	0	0	120.5
262	K	32	Very low	32.7	Very low	189 Å²	189	143 Å²	143	82%	0.822	72%	0.715	S	S	*	*				175.2	108.9	110	-90.2	157.5	-174.1	174.3	0	110
263	L	27.4	Very low	33.9	Very low	143 Å²	143	136.5 Å²	136.5	75%	0.749	68%	0.682	S	S	*	*				96.7	132.6	93.7	-82.7	178.8	0	0	0	113.8
264	I	28.1	Very low	35	Very low	130 Å²	130	132.2 Å²	132.2	67%	0.667	67%	0.67	S	S	*	*			trans	79	104.9	147.1	-65.8	164.1	0	0	0	118.6
265	N	25.3	Very low	36.2	Very low	135 Å²	135	125.5 Å²	125.5	72%	0.722	65%	0.647	S	S	*	*			trans	60.3	107.6	137.9	-61.1	-2.6	0	0	0	119
266	H	30.4	Very low	37	Very low	175 Å²	175	127.3 Å²	127.3	81%	0.81	65%	0.648	S	S	*	*				-167.8	159.3	60	-109.9	14.2	0	0	0	113	N268	H266-N268 PolarHBondContact O-N 3.09Å
267	Y	28.1	Very low	38	Very low	222 Å²	222	121.4 Å²	121.4	87%	0.871	62%	0.623	S	S	*	*			trans	-67	118.5	-179.1	-74	-100.3	0	0	0	113.2	I269	Y267-I269 PolarHBondContact O-N 2.93Å
268	N	31.5	Very low	38.6	Very low	165 Å²	165	121.4 Å²	121.4	88%	0.882	62%	0.619	S	S	*	*			trans	-92	85.6	169.3	-154.2	8.3	0	0	0	109.2	H266 Q270	H266-N268 PolarHBondContact O-N 3.09Å; N268-Q270 PolarHBondContact O-N 3.42Å
269	I	37.5	Very low	39.3	Very low	142 Å²	142	119.5 Å²	119.5	73%	0.728	61%	0.61	S	S	*	*			trans	-59.1	120.3	-169.7	-60.9	170.9	0	0	0	111	Y267 S271	Y267-I269 PolarHBondContact O-N 2.93Å; I269-S271 PolarHBondContact O-N 3.4Å
270	Q	46.2	Very low	40.2	Very low	92 Å²	92	117.5 Å²	117.5	43%	0.43	60%	0.599	S	S	.	*			trans	-56	110.9	171.5	-86.7	154.2	-96.6	0	0	110.4	N268 C272 C285	N268-Q270 PolarHBondContact O-N 3.42Å; Q270-C272 PolarHBondContact O-N 2.75Å; Q270-C272 PolarHBondContact O-SG 3.17Å; Q270-C285 PolarHBondContact NE2-O 2.93Å
271	S	51.4	Low	41.1	Very low	100 Å²	100	123.6 Å²	123.6	70%	0.699	61%	0.608	S	S	*	*			trans	-84.9	61.2	-173.6	64.3	0	0	0	0	112.2	I269	I269-S271 PolarHBondContact O-N 3.4Å
272	C	61	Low	42.4	Very low	32 Å²	32	119.9 Å²	119.9	22%	0.216	59%	0.586	C	S	.	*	P	Polyproline II helix	trans	-56.2	133	-177	-49.6	0	0	0	0	111.6	Q270 C286 L287	Q270-C272 PolarHBondContact O-N 2.75Å; Q270-C272 PolarHBondContact O-SG 3.17Å; C272-C286 WeakPolarHBondContact CA-SG 3.34Å; C272-C286 HydrophobicContact CB-CB 3.59Å; C272-C286 WeakPolarHBondContact CB-SG 3.12Å; C272-C286 VanDerWaalsContact SG-CA 3.5Å; C272-C286 WeakPolarHBondContact SG-CB 3.27Å; C272-C286 CovalentContact SG-SG 2.02Å; C272-C286 PolarHBondContact SG-SG 2.97Å; C272-L287 WeakPolarHBondContact CB-O 3.37Å; C272-L287 PolarHBondContact SG-N 2.91Å; C272-L287 PolarHBondContact SG-O 3.09Å
273	P	57.3	Low	43.8	Very low	13 Å²	13	114.2 Å²	114.2	8%	0.084	57%	0.568	C	S	.	*	P	Polyproline II helix	trans	-66.2	160.7	175.5	29.6	-35.7	0	0	0	110.3	D277 K280 E282 F288	P273-D277 HydrophobicContact CB-CB 4.43Å; P273-K280 HydrophobicContact CB-CB 3.8Å; P273-K280 HydrophobicContact CB-CD 4.4Å; P273-K280 HydrophobicContact CG-CB 4.41Å; P273-K280 WeakPolarHBondContact CG-O 3.28Å; P273-E282 WeakPolarHBondContact CD-OE2 3.48Å; P273-E282 HydrophobicContact CG-CB 3.81Å; P273-E282 HydrophobicContact CG-CG 3.86Å; P273-F288 HydrophobicContact CG-CE1 4.22Å; P273-F288 HydrophobicContact CG-CZ 4.23Å; P273-F288 WeakPolarHBondContact O-CD1 3.39Å; P273-F288 WeakPolarHBondContact O-CE1 3.19Å
274	S	50.4	Low	46	Very low	67 Å²	67	111 Å²	111	47%	0.469	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-76.9	151	168	-178.2	0	0	0	0	110.2	L276 D277	S274-L276 PolarHBondContact O-N 3.28Å; S274-L276 WeakPolarHBondContact OG-CG 3.13Å; S274-L276 PolarHBondContact OG-N 3.49Å; S274-D277 WeakPolarHBondContact O-CB 3.38Å; S274-D277 PolarHBondContact O-N 3.07Å
275	F	52.7	Low	48.5	Very low	87 Å²	87	104.9 Å²	104.9	38%	0.382	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-19.2	166.8	-70.8	-65.4	0	0	0	113.1	D277 F288 M316 H318	F275-D277 VanDerWaalsContact C-N 3.28Å; F275-F288 AromaticContact CD1-CD1 3.9Å; F275-F288 HydrophobicContact CD1-CD1 3.9Å; F275-F288 HydrophobicContact CD1-CE1 4.05Å; F275-F288 HydrophobicContact CD2-CB 4.01Å; F275-F288 AromaticContact CD2-CD1 3.74Å; F275-F288 HydrophobicContact CD2-CD1 3.74Å; F275-F288 HydrophobicContact CD2-CG 4.17Å; F275-F288 AromaticContact CE1-CD1 3.8Å; F275-F288 HydrophobicContact CE1-CD1 3.8Å; F275-F288 HydrophobicContact CE1-CE1 4.03Å; F275-F288 HydrophobicContact CE1-CG 4.14Å; F275-F288 HydrophobicContact CE2-CB 3.36Å; F275-F288 AromaticContact CE2-CD1 3.65Å; F275-F288 HydrophobicContact CE2-CD1 3.65Å; F275-F288 AromaticContact CE2-CG 3.63Å; F275-F288 HydrophobicContact CE2-CG 3.63Å; F275-F288 AromaticContact CG-CD1 3.86Å; F275-F288 HydrophobicContact CG-CD1 3.86Å; F275-F288 HydrophobicContact CG-CE1 4.36Å; F275-F288 HydrophobicContact CZ-CB 3.78Å; F275-F288 AromaticContact CZ-CD1 3.68Å; F275-F288 HydrophobicContact CZ-CD1 3.68Å; F275-F288 HydrophobicContact CZ-CD2 4.17Å; F275-F288 HydrophobicContact CZ-CE1 4.33Å; F275-F288 AromaticContact CZ-CG 3.6Å; F275-F288 HydrophobicContact CZ-CG 3.6Å; F275-M316 HydrophobicContact CE2-CB 4.15Å; F275-M316 HydrophobicContact CE2-CG 4.43Å; F275-M316 HydrophobicContact CE2-SD 3.73Å; F275-M316 HydrophobicContact CZ-CB 4.16Å; F275-M316 HydrophobicContact CZ-CE 4.37Å; F275-M316 HydrophobicContact CZ-SD 4.04Å; F275-H318 HydrophobicContact CE1-CB 4.33Å; F275-H318 HydrophobicContact CZ-CB 4.34Å
276	L	46.8	Very low	51.1	Low	147 Å²	147	98.5 Å²	98.5	77%	0.77	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-14.2	174	-56.7	175.8	0	0	0	113.5	S274 H278	S274-L276 PolarHBondContact O-N 3.28Å; S274-L276 WeakPolarHBondContact OG-CG 3.13Å; S274-L276 PolarHBondContact OG-N 3.49Å; L276-H278 PolarHBondContact O-N 3.37Å
277	D	48.9	Very low	53.7	Low	35 Å²	35	92 Å²	92	19%	0.187	45%	0.453	C	S	.	.			trans	-94.2	68	-174.7	-159	-17.1	0	0	0	110.9	Q228 P273 S274 F275 N279 K280	Q228-D277 PolarHBondContact NE2-OD1 3.06Å; P273-D277 HydrophobicContact CB-CB 4.43Å; S274-D277 WeakPolarHBondContact O-CB 3.38Å; S274-D277 PolarHBondContact O-N 3.07Å; F275-D277 VanDerWaalsContact C-N 3.28Å; D277-N279 PolarHBondContact O-N 2.95Å; D277-K280 HydrophobicContact CB-CB 4.16Å; D277-K280 PolarHBondContact O-N 3.35Å; D277-K280 IonicContact OD1-NZ 2.65Å; D277-K280 VanDerWaalsContact OD2-CD 3.31Å; D277-K280 WeakPolarHBondContact OD2-CD 3.4Å; D277-K280 WeakPolarHBondContact OD2-CG 3.46Å; D277-K280 IonicContact OD2-NZ 3.55Å; D277-K280 PolarHBondContact OD2-NZ 2.97Å
278	H	45.2	Very low	56.3	Low	149 Å²	149	82 Å²	82	69%	0.69	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-22.3	-169.2	-68.4	-51	0	0	0	116.1	L276	L276-H278 PolarHBondContact O-N 3.37Å
279	N	41.3	Very low	58.5	Low	93 Å²	93	84.9 Å²	84.9	50%	0.497	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-17.5	179.4	-56.3	0.8	0	0	0	112.9	Q228 D277 R281	Q228-N279 HydrophobicContact CG-CB 4.4Å; Q228-N279 WeakPolarHBondContact CG-ND2 3.48Å; D277-N279 PolarHBondContact O-N 2.95Å; N279-R281 VanDerWaalsContact C-N 3.27Å; N279-R281 PolarHBondContact O-N 3.12Å; N279-R281 VanDerWaalsContact O-N 3.1Å
280	K	45.8	Very low	60.7	Low	123 Å²	123	81.9 Å²	81.9	54%	0.535	39%	0.393	S	S	.	.			trans	-84.2	71.7	167.2	-69.6	-157.1	-164.6	83.8	0	110.6	P273 D277 E282	P273-K280 HydrophobicContact CB-CB 3.8Å; P273-K280 HydrophobicContact CB-CD 4.4Å; P273-K280 HydrophobicContact CG-CB 4.41Å; P273-K280 WeakPolarHBondContact CG-O 3.28Å; D277-K280 HydrophobicContact CB-CB 4.16Å; D277-K280 PolarHBondContact O-N 3.35Å; D277-K280 IonicContact OD1-NZ 2.65Å; D277-K280 VanDerWaalsContact OD2-CD 3.31Å; D277-K280 WeakPolarHBondContact OD2-CD 3.4Å; D277-K280 WeakPolarHBondContact OD2-CG 3.46Å; D277-K280 IonicContact OD2-NZ 3.55Å; D277-K280 PolarHBondContact OD2-NZ 2.97Å; K280-E282 PolarHBondContact O-N 3.49Å
281	R	49.9	Very low	62.4	Low	218 Å²	218	80.6 Å²	80.6	82%	0.823	39%	0.392	S	S	*	.			trans	-69.9	82.9	161.3	-64.4	-176.3	-177.6	-169.4	-0.8	109.1	N279 T283	N279-R281 VanDerWaalsContact C-N 3.27Å; N279-R281 PolarHBondContact O-N 3.12Å; N279-R281 VanDerWaalsContact O-N 3.1Å; R281-T283 PolarHBondContact O-N 3.4Å
282	E	52.3	Low	64	Low	60 Å²	60	76.8 Å²	76.8	28%	0.28	36%	0.363	S	S	.	.			trans	-62.8	122.5	164.1	-88.5	-151.1	137.7	0	0	109.3	P273 K280 K284 C286	P273-E282 WeakPolarHBondContact CD-OE2 3.48Å; P273-E282 HydrophobicContact CG-CB 3.81Å; P273-E282 HydrophobicContact CG-CG 3.86Å; K280-E282 PolarHBondContact O-N 3.49Å; E282-K284 PolarHBondContact O-N 3.11Å; E282-C286 PolarHBondContact OE2-SG 3.13Å
283	T	61.9	Low	65.2	Low	71 Å²	71	77.7 Å²	77.7	44%	0.436	37%	0.366	S	S	.	.			trans	-87.3	12.2	176.3	49.3	0	0	0	0	112.2	R281 R320	R281-T283 PolarHBondContact O-N 3.4Å; T283-R320 CarbonylContact O-C 3.59Å; T283-R320 WeakPolarHBondContact O-CA 3.38Å; T283-R320 WeakPolarHBondContact O-CB 3.35Å; T283-R320 PolarHBondContact O-N 2.87Å
284	K	73.5	Confident	66.6	Low	76 Å²	76	79.4 Å²	79.4	33%	0.33	37%	0.372	S	S	.	.	S	Bend	trans	-111.1	146.7	-177.1	-54.6	-176.7	-178.3	179.5	0	110.1	E282 C286 G319 R320 Y325	E282-K284 PolarHBondContact O-N 3.11Å; K284-C286 PolarHBondContact O-N 2.59Å; K284-G319 WeakPolarHBondContact O-CA 3.39Å; K284-R320 CarbonylContact C-O 3.53Å; K284-R320 WeakPolarHBondContact CA-O 3.3Å; K284-Y325 HydrophobicContact CD-CD1 4.46Å; K284-Y325 HydrophobicContact CD-CG 4.19Å; K284-Y325 HydrophobicContact CG-CG 4.39Å
285	C	80.6	Confident	68.4	Low	0 Å²	0	82 Å²	82	0%	0	38%	0.378	C	S	.	.			trans	-62.8	131.8	174.1	-178.9	0	0	0	0	111.9	Q270 R320 P327 C358 A391 C392	Q270-C285 PolarHBondContact NE2-O 2.93Å; C285-R320 PolarHBondContact N-O 3.23Å; C285-P327 HydrophobicContact CB-CG 3.93Å; C285-C358 WeakPolarHBondContact CA-SG 3.34Å; C285-C358 HydrophobicContact CB-CB 3.56Å; C285-C358 WeakPolarHBondContact CB-SG 3.5Å; C285-C358 WeakPolarHBondContact SG-CA 3.4Å; C285-C358 WeakPolarHBondContact SG-CB 3.28Å; C285-C358 CovalentContact SG-SG 2.04Å; C285-C358 PolarHBondContact SG-SG 3.49Å; C285-A391 VanDerWaalsContact SG-C 3.59Å; C285-A391 PolarHBondContact SG-O 3.39Å; C285-A391 VanDerWaalsContact SG-O 3.32Å; C285-C392 WeakPolarHBondContact CB-SG 3.28Å
286	C	81.5	Confident	70.1	Confident	2 Å²	2	80.7 Å²	80.7	1%	0.014	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	151	-168.7	-126.6	0	0	0	0	113.2	C272 E282 K284 F288 C317 H318 C358	C272-C286 WeakPolarHBondContact CA-SG 3.34Å; C272-C286 HydrophobicContact CB-CB 3.59Å; C272-C286 WeakPolarHBondContact CB-SG 3.12Å; C272-C286 VanDerWaalsContact SG-CA 3.5Å; C272-C286 WeakPolarHBondContact SG-CB 3.27Å; C272-C286 CovalentContact SG-SG 2.02Å; C272-C286 PolarHBondContact SG-SG 2.97Å; E282-C286 PolarHBondContact OE2-SG 3.13Å; K284-C286 PolarHBondContact O-N 2.59Å; C286-F288 HydrophobicContact CB-CE2 3.94Å; C286-F288 WeakPolarHBondContact O-CD2 3.27Å; C286-C317 WeakPolarHBondContact O-CA 3.21Å; C286-H318 PolarHBondContact N-O 2.71Å; C286-H318 PolarHBondContact O-N 2.66Å; C286-C358 PolarHBondContact N-SG 2.88Å; C286-C358 VanDerWaalsContact N-SG 3.41Å
287	L	83.6	Confident	72	Confident	37 Å²	37	73.7 Å²	73.7	19%	0.194	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	111.3	175.5	-176.1	74.5	0	0	0	111.5	C272 N315 K387 T388 C390	C272-L287 WeakPolarHBondContact CB-O 3.37Å; C272-L287 PolarHBondContact SG-N 2.91Å; C272-L287 PolarHBondContact SG-O 3.09Å; L287-N315 HydrophobicContact CD1-CB 3.78Å; L287-N315 HydrophobicContact CG-CB 4.43Å; L287-K387 HydrophobicContact CD1-CB 3.76Å; L287-K387 WeakPolarHBondContact CD1-O 3.28Å; L287-T388 WeakPolarHBondContact CD2-O 3.45Å; L287-C390 WeakPolarHBondContact CA-SG 3.32Å; L287-C390 HydrophobicContact CB-CB 4.42Å; L287-C390 VanDerWaalsContact CB-SG 3.59Å; L287-C390 WeakPolarHBondContact CD1-SG 3.42Å
288	F	82.2	Confident	73.9	Confident	13 Å²	13	74.9 Å²	74.9	6%	0.057	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	122	173.4	-65.3	-109	0	0	0	108.8	P273 F275 C286 Y290 N315 M316 H318	P273-F288 HydrophobicContact CG-CE1 4.22Å; P273-F288 HydrophobicContact CG-CZ 4.23Å; P273-F288 WeakPolarHBondContact O-CD1 3.39Å; P273-F288 WeakPolarHBondContact O-CE1 3.19Å; F275-F288 AromaticContact CD1-CD1 3.9Å; F275-F288 HydrophobicContact CD1-CD1 3.9Å; F275-F288 HydrophobicContact CD1-CE1 4.05Å; F275-F288 HydrophobicContact CD2-CB 4.01Å; F275-F288 AromaticContact CD2-CD1 3.74Å; F275-F288 HydrophobicContact CD2-CD1 3.74Å; F275-F288 HydrophobicContact CD2-CG 4.17Å; F275-F288 AromaticContact CE1-CD1 3.8Å; F275-F288 HydrophobicContact CE1-CD1 3.8Å; F275-F288 HydrophobicContact CE1-CE1 4.03Å; F275-F288 HydrophobicContact CE1-CG 4.14Å; F275-F288 HydrophobicContact CE2-CB 3.36Å; F275-F288 AromaticContact CE2-CD1 3.65Å; F275-F288 HydrophobicContact CE2-CD1 3.65Å; F275-F288 AromaticContact CE2-CG 3.63Å; F275-F288 HydrophobicContact CE2-CG 3.63Å; F275-F288 AromaticContact CG-CD1 3.86Å; F275-F288 HydrophobicContact CG-CD1 3.86Å; F275-F288 HydrophobicContact CG-CE1 4.36Å; F275-F288 HydrophobicContact CZ-CB 3.78Å; F275-F288 AromaticContact CZ-CD1 3.68Å; F275-F288 HydrophobicContact CZ-CD1 3.68Å; F275-F288 HydrophobicContact CZ-CD2 4.17Å; F275-F288 HydrophobicContact CZ-CE1 4.33Å; F275-F288 AromaticContact CZ-CG 3.6Å; F275-F288 HydrophobicContact CZ-CG 3.6Å; C286-F288 HydrophobicContact CB-CE2 3.94Å; C286-F288 WeakPolarHBondContact O-CD2 3.27Å; F288-Y290 PolarHBondContact O-N 3.01Å; F288-N315 CarbonylContact O-C 3.6Å; F288-N315 WeakPolarHBondContact O-CA 3.4Å; F288-N315 WeakPolarHBondContact O-CB 3.26Å; F288-M316 HydrophobicContact CB-CB 4.36Å; F288-M316 PolarHBondContact N-O 2.89Å; F288-M316 PolarHBondContact O-N 3.02Å; F288-H318 HydrophobicContact CD2-CB 3.86Å; F288-H318 HydrophobicContact CE2-CB 3.64Å; F288-H318 HydrophobicContact CZ-CB 4.33Å
289	R	79	Confident	76	Confident	225 Å²	225	74.5 Å²	74.5	85%	0.849	34%	0.342	S	S	*	.			trans	-71.5	125.3	175.1	-69.9	-177.1	178.7	179.5	-1.1	109.9	N315	R289-N315 WeakPolarHBondContact CA-OD1 3.35Å
290	Y	82.9	Confident	78.2	Confident	79 Å²	79	73.3 Å²	73.3	31%	0.31	34%	0.335	S	S	.	.			trans	-149.4	128.6	-177	-175.1	-114.3	0	0	0	111.3	F288 L292 I314 N315 M316	F288-Y290 PolarHBondContact O-N 3.01Å; Y290-L292 HydrophobicContact CE1-CD2 3.66Å; Y290-L292 HydrophobicContact CE1-CG 4.15Å; Y290-L292 WeakPolarHBondContact OH-CD2 3.46Å; Y290-I314 HydrophobicContact CD1-CD1 3.86Å; Y290-I314 HydrophobicContact CD1-CG1 3.82Å; Y290-I314 HydrophobicContact CE1-CD1 4.11Å; Y290-I314 HydrophobicContact CE1-CG1 4.48Å; Y290-I314 PolarHBondContact O-N 3.26Å; Y290-N315 PolarHBondContact N-OD1 3.12Å; Y290-N315 VanDerWaalsContact N-OD1 3.1Å; Y290-N315 PolarHBondContact O-N 2.84Å; Y290-M316 HydrophobicContact CD1-CG 4.2Å; Y290-M316 HydrophobicContact CD1-SD 3.87Å; Y290-M316 HydrophobicContact CE1-SD 4.41Å; Y290-M316 HydrophobicContact CG-CG 4.44Å; Y290-M316 HydrophobicContact CG-SD 4.11Å
291	T	82.9	Confident	80.2	Confident	66 Å²	66	73.9 Å²	73.9	41%	0.405	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	122.1	-174.8	-57.8	0	0	0	0	109	H311 L312 P313	T291-H311 HydrophobicContact CG2-CB 3.91Å; T291-L312 WeakPolarHBondContact CA-O 3.39Å; T291-P313 HydrophobicContact CG2-CB 4.42Å
292	L	84.7	Confident	82	Confident	20 Å²	20	71.7 Å²	71.7	11%	0.105	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	128.7	171.5	-65.2	171.4	0	0	0	109	Y290 Q296 M297 L303 H311 L312 I314	Y290-L292 HydrophobicContact CE1-CD2 3.66Å; Y290-L292 HydrophobicContact CE1-CG 4.15Å; Y290-L292 WeakPolarHBondContact OH-CD2 3.46Å; L292-Q296 HydrophobicContact CD2-CB 4.11Å; L292-M297 HydrophobicContact CB-CG 3.81Å; L292-M297 HydrophobicContact CB-SD 4.38Å; L292-M297 HydrophobicContact CD1-CG 4.41Å; L292-L303 HydrophobicContact CD1-CD1 3.56Å; L292-H311 CarbonylContact O-C 3.48Å; L292-H311 WeakPolarHBondContact O-CA 2.94Å; L292-L312 PolarHBondContact N-O 3.16Å; L292-L312 PolarHBondContact O-N 3.4Å; L292-I314 HydrophobicContact CD1-CD1 3.99Å; L292-I314 HydrophobicContact CG-CD1 4.22Å
293	N	86.3	Confident	83.7	Confident	50 Å²	50	70.6 Å²	70.6	27%	0.267	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	165	168.4	68.7	45.3	0	0	0	111.1	M295 Q296 M297 H310	N293-M295 VanDerWaalsContact C-N 3.27Å; N293-M295 PolarHBondContact O-N 3.46Å; N293-M295 WeakPolarHBondContact OD1-CB 2.95Å; N293-M295 PolarHBondContact OD1-N 3.3Å; N293-M295 VanDerWaalsContact OD1-N 3.16Å; N293-Q296 VanDerWaalsContact CG-OE1 3.3Å; N293-Q296 PolarHBondContact ND2-OE1 2.95Å; N293-Q296 WeakPolarHBondContact O-CA 3.32Å; N293-Q296 WeakPolarHBondContact O-CB 2.96Å; N293-Q296 PolarHBondContact O-N 2.84Å; N293-Q296 WeakPolarHBondContact OD1-CG 3.44Å; N293-Q296 PolarHBondContact OD1-N 2.81Å; N293-M297 PolarHBondContact O-N 3.12Å; N293-H310 CarbonylContact C-O 3.58Å; N293-H310 WeakPolarHBondContact CA-O 3.42Å
294	K	86.1	Confident	85	Confident	50 Å²	50	74.5 Å²	74.5	22%	0.217	34%	0.343	C	S	.	.	H	α-helix	trans	-54.4	-40.2	-177.5	-176.1	51	175.1	160.2	0	113	Q296 M297 D298 I306 H310	K294-Q296 VanDerWaalsContact C-N 3.34Å; K294-Q296 PolarHBondContact O-N 3.28Å; K294-M297 HydrophobicContact CB-CE 4.46Å; K294-M297 HydrophobicContact CD-CE 4.43Å; K294-M297 PolarHBondContact O-N 2.93Å; K294-D298 WeakPolarHBondContact CD-OD2 3.22Å; K294-D298 VanDerWaalsContact CE-OD1 3.27Å; K294-D298 WeakPolarHBondContact CE-OD1 3.46Å; K294-D298 WeakPolarHBondContact CE-OD2 3.16Å; K294-D298 WeakPolarHBondContact CG-OD2 3.45Å; K294-D298 IonicContact NZ-OD1 3.49Å; K294-D298 PolarHBondContact NZ-OD1 2.89Å; K294-D298 IonicContact NZ-OD2 2.66Å; K294-D298 PolarHBondContact NZ-OD2 2.94Å; K294-D298 WeakPolarHBondContact O-CB 3.15Å; K294-D298 VanDerWaalsContact O-CG 3.25Å; K294-D298 PolarHBondContact O-N 2.9Å; K294-I306 PolarHBondContact NZ-O 2.92Å; K294-H310 HydrophobicContact CB-CB 4.07Å; K294-H310 PolarHBondContact N-O 2.82Å
295	M	87.8	Confident	85.9	Confident	120 Å²	120	75.8 Å²	75.8	59%	0.591	35%	0.349	S	S	*	.	H	α-helix	trans	-61.7	-38.6	175	-176.1	-174.2	74.3	0	0	112.7	N293 Q299	N293-M295 VanDerWaalsContact C-N 3.27Å; N293-M295 PolarHBondContact O-N 3.46Å; N293-M295 WeakPolarHBondContact OD1-CB 2.95Å; N293-M295 PolarHBondContact OD1-N 3.3Å; N293-M295 VanDerWaalsContact OD1-N 3.16Å; M295-Q299 WeakPolarHBondContact O-CB 3.41Å; M295-Q299 WeakPolarHBondContact O-CG 2.97Å; M295-Q299 PolarHBondContact O-N 3.09Å; M295-Q299 VanDerWaalsContact O-N 3.07Å
296	Q	88.4	Confident	86.2	Confident	61 Å²	61	75.9 Å²	75.9	29%	0.285	35%	0.349	S	S	.	.	H	α-helix	trans	-73.3	-30.4	175.3	-68.7	167.9	-47.1	0	0	112.9	L292 N293 K294	L292-Q296 HydrophobicContact CD2-CB 4.11Å; N293-Q296 VanDerWaalsContact CG-OE1 3.3Å; N293-Q296 PolarHBondContact ND2-OE1 2.95Å; N293-Q296 WeakPolarHBondContact O-CA 3.32Å; N293-Q296 WeakPolarHBondContact O-CB 2.96Å; N293-Q296 PolarHBondContact O-N 2.84Å; N293-Q296 WeakPolarHBondContact OD1-CG 3.44Å; N293-Q296 PolarHBondContact OD1-N 2.81Å; K294-Q296 VanDerWaalsContact C-N 3.34Å; K294-Q296 PolarHBondContact O-N 3.28Å
297	M	87	Confident	86.7	Confident	0 Å²	0	79 Å²	79	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-72.4	-39.8	172.8	-65.4	-171.5	-71.5	0	0	111.2	L292 N293 K294 Q299 N300 L303 R304 P309 L312	L292-M297 HydrophobicContact CB-CG 3.81Å; L292-M297 HydrophobicContact CB-SD 4.38Å; L292-M297 HydrophobicContact CD1-CG 4.41Å; N293-M297 PolarHBondContact O-N 3.12Å; K294-M297 HydrophobicContact CB-CE 4.46Å; K294-M297 HydrophobicContact CD-CE 4.43Å; K294-M297 PolarHBondContact O-N 2.93Å; M297-Q299 VanDerWaalsContact C-N 3.29Å; M297-Q299 PolarHBondContact O-N 2.88Å; M297-N300 PolarHBondContact O-N 2.83Å; M297-N300 VanDerWaalsContact O-N 3.08Å; M297-L303 HydrophobicContact CB-CB 4.01Å; M297-L303 HydrophobicContact CG-CB 4.34Å; M297-L303 HydrophobicContact CG-CD1 4.36Å; M297-L303 CarbonylContact O-C 3.59Å; M297-R304 PolarHBondContact O-N 2.74Å; M297-R304 VanDerWaalsContact O-N 3.17Å; M297-P309 WeakPolarHBondContact CE-O 3.16Å; M297-L312 HydrophobicContact CE-CB 4.31Å; M297-L312 HydrophobicContact SD-CB 3.58Å; M297-L312 VanDerWaalsContact SD-CB 3.58Å; M297-L312 HydrophobicContact SD-CD2 4.06Å; M297-L312 HydrophobicContact SD-CG 4.47Å
298	D	89.2	Confident	86.9	Confident	60 Å²	60	83.2 Å²	83.2	32%	0.321	38%	0.382	S	S	.	.	H	α-helix	trans	-72.4	-21.4	177.3	-68.6	-27.6	0	0	0	113.6	K294 N300 R304	K294-D298 WeakPolarHBondContact CD-OD2 3.22Å; K294-D298 VanDerWaalsContact CE-OD1 3.27Å; K294-D298 WeakPolarHBondContact CE-OD1 3.46Å; K294-D298 WeakPolarHBondContact CE-OD2 3.16Å; K294-D298 WeakPolarHBondContact CG-OD2 3.45Å; K294-D298 IonicContact NZ-OD1 3.49Å; K294-D298 PolarHBondContact NZ-OD1 2.89Å; K294-D298 IonicContact NZ-OD2 2.66Å; K294-D298 PolarHBondContact NZ-OD2 2.94Å; K294-D298 WeakPolarHBondContact O-CB 3.15Å; K294-D298 VanDerWaalsContact O-CG 3.25Å; K294-D298 PolarHBondContact O-N 2.9Å; D298-N300 PolarHBondContact O-N 2.97Å; D298-R304 HydrophobicContact CB-CG 4.45Å
299	Q	89.6	Confident	87.1	Confident	141 Å²	141	83 Å²	83	66%	0.659	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-5.4	168.5	-78.5	168	-2.9	0	0	113.6	M295 M297	M295-Q299 WeakPolarHBondContact O-CB 3.41Å; M295-Q299 WeakPolarHBondContact O-CG 2.97Å; M295-Q299 PolarHBondContact O-N 3.09Å; M295-Q299 VanDerWaalsContact O-N 3.07Å; M297-Q299 VanDerWaalsContact C-N 3.29Å; M297-Q299 PolarHBondContact O-N 2.88Å
300	N	87.8	Confident	87.5	Confident	68 Å²	68	77.1 Å²	77.1	36%	0.364	36%	0.364	S	S	.	.	S	Bend	trans	-124.7	113.2	-178.7	-177.9	-11.8	0	0	0	109.9	M297 D298 K302 L303 R304	M297-N300 PolarHBondContact O-N 2.83Å; M297-N300 VanDerWaalsContact O-N 3.08Å; D298-N300 PolarHBondContact O-N 2.97Å; N300-K302 PolarHBondContact O-N 3.06Å; N300-K302 WeakPolarHBondContact OD1-CB 3.31Å; N300-K302 PolarHBondContact OD1-N 3.4Å; N300-L303 HydrophobicContact CB-CB 4.37Å; N300-L303 HydrophobicContact CB-CD1 4.43Å; N300-L303 PolarHBondContact O-N 3.18Å; N300-R304 PolarHBondContact O-N 2.9Å
301	D	87.4	Confident	87.7	Confident	134 Å²	134	79.1 Å²	79.1	72%	0.717	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-25	-178.3	-60.1	-53.1	0	0	0	113.3	L303	D301-L303 VanDerWaalsContact C-N 3.33Å; D301-L303 PolarHBondContact O-N 3.46Å
302	K	88.2	Confident	87.8	Confident	173 Å²	173	76.4 Å²	76.4	75%	0.752	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-0.8	176	-58.3	-169.6	178	-171.6	0	114.9	N300 F305	N300-K302 PolarHBondContact O-N 3.06Å; N300-K302 WeakPolarHBondContact OD1-CB 3.31Å; N300-K302 PolarHBondContact OD1-N 3.4Å; K302-F305 VanDerWaalsContact O-CE1 3.29Å; K302-F305 WeakPolarHBondContact O-CE1 3.37Å
303	L	87.6	Confident	87.8	Confident	37 Å²	37	76.1 Å²	76.1	19%	0.194	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.3	-19.3	-180	-64.1	176.2	0	0	0	113.5	L292 M297 N300 D301 F305 I306	L292-L303 HydrophobicContact CD1-CD1 3.56Å; M297-L303 HydrophobicContact CB-CB 4.01Å; M297-L303 HydrophobicContact CG-CB 4.34Å; M297-L303 HydrophobicContact CG-CD1 4.36Å; M297-L303 CarbonylContact O-C 3.59Å; N300-L303 HydrophobicContact CB-CB 4.37Å; N300-L303 HydrophobicContact CB-CD1 4.43Å; N300-L303 PolarHBondContact O-N 3.18Å; D301-L303 VanDerWaalsContact C-N 3.33Å; D301-L303 PolarHBondContact O-N 3.46Å; L303-F305 PolarHBondContact O-N 3.07Å; L303-I306 HydrophobicContact CB-CD1 4.47Å; L303-I306 HydrophobicContact CD2-CD1 3.99Å; L303-I306 WeakPolarHBondContact O-CB 3.36Å; L303-I306 WeakPolarHBondContact O-CG1 3.37Å; L303-I306 PolarHBondContact O-N 2.93Å
304	R	89.2	Confident	87.7	Confident	153 Å²	153	75.7 Å²	75.7	58%	0.577	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-26	-179.6	-176.6	173.4	176.9	-168.4	-1.7	114.8	M297 D298 N300 I306	M297-R304 PolarHBondContact O-N 2.74Å; M297-R304 VanDerWaalsContact O-N 3.17Å; D298-R304 HydrophobicContact CB-CG 4.45Å; N300-R304 PolarHBondContact O-N 2.9Å; R304-I306 VanDerWaalsContact C-N 3.26Å; R304-I306 PolarHBondContact O-N 2.95Å
305	F	90.8	Very high	87.8	Confident	102 Å²	102	74.3 Å²	74.3	45%	0.447	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-20.3	178.1	71.6	-95.4	0	0	0	113.9	K302 L303 I307 I368 Y370	K302-F305 VanDerWaalsContact O-CE1 3.29Å; K302-F305 WeakPolarHBondContact O-CE1 3.37Å; L303-F305 PolarHBondContact O-N 3.07Å; F305-I307 PolarHBondContact O-N 2.95Å; F305-I368 HydrophobicContact CE2-CD1 4.02Å; F305-Y370 AromaticContact CD2-CD2 3.65Å; F305-Y370 HydrophobicContact CD2-CD2 3.65Å; F305-Y370 AromaticContact CD2-CG 3.81Å; F305-Y370 HydrophobicContact CD2-CG 3.81Å; F305-Y370 AromaticContact CE2-CD2 3.95Å; F305-Y370 HydrophobicContact CE2-CD2 3.95Å; F305-Y370 HydrophobicContact CE2-CE2 4.49Å; F305-Y370 HydrophobicContact CE2-CG 4Å; F305-Y370 WeakPolarHBondContact O-CB 3.39Å
306	I	88.8	Confident	87.8	Confident	2 Å²	2	72.2 Å²	72.2	1%	0.01	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	114.8	179	-60.5	168.7	0	0	0	109.3	K294 L303 R304 F308 L312 I368	K294-I306 PolarHBondContact NZ-O 2.92Å; L303-I306 HydrophobicContact CB-CD1 4.47Å; L303-I306 HydrophobicContact CD2-CD1 3.99Å; L303-I306 WeakPolarHBondContact O-CB 3.36Å; L303-I306 WeakPolarHBondContact O-CG1 3.37Å; L303-I306 PolarHBondContact O-N 2.93Å; R304-I306 VanDerWaalsContact C-N 3.26Å; R304-I306 PolarHBondContact O-N 2.95Å; I306-F308 WeakPolarHBondContact CG2-O 3.33Å; I306-L312 HydrophobicContact CD1-CD2 4.36Å; I306-I368 HydrophobicContact CD1-CG2 4.22Å; I306-I368 HydrophobicContact CG1-CD1 4.14Å; I306-I368 HydrophobicContact CG1-CG2 4.42Å; I306-I368 HydrophobicContact CG2-CB 4.22Å; I306-I368 HydrophobicContact CG2-CG2 4.11Å
307	I	90.5	Very high	87.7	Confident	69 Å²	69	70.5 Å²	70.5	35%	0.354	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-45.8	178.2	-64.4	171.5	0	0	0	110	F305 H310 L369 K371 L377	F305-I307 PolarHBondContact O-N 2.95Å; I307-H310 PolarHBondContact O-CE1 2.82Å; I307-H310 PolarHBondContact O-ND1 3.42Å; I307-L369 WeakPolarHBondContact CB-O 3.29Å; I307-L369 HydrophobicContact CG2-CD2 4.38Å; I307-L369 PolarHBondContact N-O 3.42Å; I307-K371 HydrophobicContact CD1-CG 4Å; I307-L377 HydrophobicContact CD1-CD2 3.65Å
308	F	88	Confident	87.6	Confident	124 Å²	124	75.9 Å²	75.9	54%	0.544	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	143	177.4	-177.2	-88.5	0	0	0	109.1	I306 L369	I306-F308 WeakPolarHBondContact CG2-O 3.33Å; F308-L369 HydrophobicContact CB-CB 4.06Å; F308-L369 HydrophobicContact CB-CD2 4.24Å; F308-L369 PolarHBondContact N-O 3.13Å; F308-L369 PolarHBondContact O-N 3.07Å
309	P	86.9	Confident	87.1	Confident	10 Å²	10	74 Å²	74	7%	0.065	36%	0.355	C	S	.	.			cis	-74.8	168.9	7	37.1	-42	0	0	0	113.2	M297 H311 L312 F366	M297-P309 WeakPolarHBondContact CE-O 3.16Å; P309-H311 VanDerWaalsContact C-N 3.3Å; P309-H311 WeakPolarHBondContact CB-O 3.5Å; P309-H311 WeakPolarHBondContact CG-O 3.3Å; P309-L312 HydrophobicContact CG-CB 4.49Å; P309-L312 HydrophobicContact CG-CD1 4.39Å; P309-F366 HydrophobicContact CB-CE1 4.28Å; P309-F366 HydrophobicContact CB-CZ 4.32Å; P309-F366 HydrophobicContact CG-CD1 4.46Å; P309-F366 HydrophobicContact CG-CE1 3.51Å; P309-F366 HydrophobicContact CG-CZ 3.82Å
310	H	87.5	Confident	86.5	Confident	101 Å²	101	74.4 Å²	74.4	47%	0.468	35%	0.35	S	S	.	.	S	Bend	trans	-85.3	-4.8	166	-59.6	-30.2	0	0	0	113.4	N293 K294 I307	N293-H310 CarbonylContact C-O 3.58Å; N293-H310 WeakPolarHBondContact CA-O 3.42Å; K294-H310 HydrophobicContact CB-CB 4.07Å; K294-H310 PolarHBondContact N-O 2.82Å; I307-H310 PolarHBondContact O-CE1 2.82Å; I307-H310 PolarHBondContact O-ND1 3.42Å
311	H	86.1	Confident	86	Confident	121 Å²	121	71.3 Å²	71.3	56%	0.56	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.3	114.8	178	-63	-65.7	0	0	0	109.9	T291 L292 P309 P313	T291-H311 HydrophobicContact CG2-CB 3.91Å; L292-H311 CarbonylContact O-C 3.48Å; L292-H311 WeakPolarHBondContact O-CA 2.94Å; P309-H311 VanDerWaalsContact C-N 3.3Å; P309-H311 WeakPolarHBondContact CB-O 3.5Å; P309-H311 WeakPolarHBondContact CG-O 3.3Å; H311-P313 WeakPolarHBondContact O-CD 3.43Å
312	L	85.5	Confident	85.1	Confident	8 Å²	8	68.2 Å²	68.2	4%	0.042	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	102.2	-178.9	-175.2	66.9	0	0	0	110.2	T291 L292 M297 I306 P309 I314 F366	T291-L312 WeakPolarHBondContact CA-O 3.39Å; L292-L312 PolarHBondContact N-O 3.16Å; L292-L312 PolarHBondContact O-N 3.4Å; M297-L312 HydrophobicContact CE-CB 4.31Å; M297-L312 HydrophobicContact SD-CB 3.58Å; M297-L312 VanDerWaalsContact SD-CB 3.58Å; M297-L312 HydrophobicContact SD-CD2 4.06Å; M297-L312 HydrophobicContact SD-CG 4.47Å; I306-L312 HydrophobicContact CD1-CD2 4.36Å; P309-L312 HydrophobicContact CG-CB 4.49Å; P309-L312 HydrophobicContact CG-CD1 4.39Å; L312-I314 HydrophobicContact CD2-CG2 4.04Å; L312-I314 HydrophobicContact CG-CG2 3.91Å; L312-I314 PolarHBondContact O-N 2.85Å; L312-F366 HydrophobicContact CD1-CB 4.32Å; L312-F366 HydrophobicContact CD1-CD1 3.66Å; L312-F366 HydrophobicContact CD1-CD2 4.14Å; L312-F366 HydrophobicContact CD1-CE1 4.08Å; L312-F366 HydrophobicContact CD1-CE2 4.47Å; L312-F366 HydrophobicContact CD1-CG 3.75Å; L312-F366 HydrophobicContact CD1-CZ 4.46Å
313	P	84.1	Confident	84	Confident	15 Å²	15	61.1 Å²	61.1	10%	0.097	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	103.8	178.2	31.1	-32.4	0	0	0	110.1	T291 H311 F366 V386	T291-P313 HydrophobicContact CG2-CB 4.42Å; H311-P313 WeakPolarHBondContact O-CD 3.43Å; P313-F366 VanDerWaalsContact CD-CE2 3.43Å; P313-F366 HydrophobicContact CG-CD2 4.08Å; P313-F366 HydrophobicContact CG-CE2 3.68Å; P313-V386 WeakPolarHBondContact O-CG1 3.45Å; P313-V386 VanDerWaalsContact O-CG2 3.29Å; P313-V386 WeakPolarHBondContact O-CG2 3.47Å
314	I	85.2	Confident	82.6	Confident	41 Å²	41	67.5 Å²	67.5	21%	0.21	33%	0.326	C	S	.	.			trans	-98.6	-27.7	-178.9	60.1	172	0	0	0	113.2	Y290 L292 L312 K387	Y290-I314 HydrophobicContact CD1-CD1 3.86Å; Y290-I314 HydrophobicContact CD1-CG1 3.82Å; Y290-I314 HydrophobicContact CE1-CD1 4.11Å; Y290-I314 HydrophobicContact CE1-CG1 4.48Å; Y290-I314 PolarHBondContact O-N 3.26Å; L292-I314 HydrophobicContact CD1-CD1 3.99Å; L292-I314 HydrophobicContact CG-CD1 4.22Å; L312-I314 HydrophobicContact CD2-CG2 4.04Å; L312-I314 HydrophobicContact CG-CG2 3.91Å; L312-I314 PolarHBondContact O-N 2.85Å; I314-K387 PolarHBondContact O-N 3.46Å; I314-K387 PolarHBondContact O-NZ 3Å
315	N	87.6	Confident	81.1	Confident	20 Å²	20	67.1 Å²	67.1	11%	0.107	33%	0.326	C	S	.	.			trans	52.1	169.8	-168.7	-57.1	-28.4	0	0	0	113.8	L287 F288 R289 Y290 K387	L287-N315 HydrophobicContact CD1-CB 3.78Å; L287-N315 HydrophobicContact CG-CB 4.43Å; F288-N315 CarbonylContact O-C 3.6Å; F288-N315 WeakPolarHBondContact O-CA 3.4Å; F288-N315 WeakPolarHBondContact O-CB 3.26Å; R289-N315 WeakPolarHBondContact CA-OD1 3.35Å; Y290-N315 PolarHBondContact N-OD1 3.12Å; Y290-N315 VanDerWaalsContact N-OD1 3.1Å; Y290-N315 PolarHBondContact O-N 2.84Å; N315-K387 HydrophobicContact CB-CB 4.15Å; N315-K387 PolarHBondContact ND2-O 3.1Å; N315-K387 PolarHBondContact O-NZ 3.39Å
316	M	87.5	Confident	79.8	Confident	76 Å²	76	63.8 Å²	63.8	37%	0.374	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	139	-178.2	-59.7	-179.9	73	0	0	110.4	F275 F288 Y290	F275-M316 HydrophobicContact CE2-CB 4.15Å; F275-M316 HydrophobicContact CE2-CG 4.43Å; F275-M316 HydrophobicContact CE2-SD 3.73Å; F275-M316 HydrophobicContact CZ-CB 4.16Å; F275-M316 HydrophobicContact CZ-CE 4.37Å; F275-M316 HydrophobicContact CZ-SD 4.04Å; F288-M316 HydrophobicContact CB-CB 4.36Å; F288-M316 PolarHBondContact N-O 2.89Å; F288-M316 PolarHBondContact O-N 3.02Å; Y290-M316 HydrophobicContact CD1-CG 4.2Å; Y290-M316 HydrophobicContact CD1-SD 3.87Å; Y290-M316 HydrophobicContact CE1-SD 4.41Å; Y290-M316 HydrophobicContact CG-CG 4.44Å; Y290-M316 HydrophobicContact CG-SD 4.11Å
317	C	86.8	Confident	78.5	Confident	26 Å²	26	65.4 Å²	65.4	18%	0.176	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	131.1	167.9	-61.8	0	0	0	0	108.9	C286 C358 A359 A360 C390	C286-C317 WeakPolarHBondContact O-CA 3.21Å; C317-C358 WeakPolarHBondContact CB-O 3.46Å; C317-A359 VanDerWaalsContact SG-C 3.51Å; C317-A359 PolarHBondContact SG-O 2.96Å; C317-A359 VanDerWaalsContact SG-O 3.38Å; C317-A360 VanDerWaalsContact SG-CA 3.51Å; C317-A360 PolarHBondContact SG-N 2.96Å; C317-C390 WeakPolarHBondContact CA-SG 3.42Å; C317-C390 HydrophobicContact CB-CB 3.71Å; C317-C390 WeakPolarHBondContact CB-SG 3.47Å; C317-C390 WeakPolarHBondContact SG-CB 3.28Å; C317-C390 CovalentContact SG-SG 2.03Å; C317-C390 PolarHBondContact SG-SG 3.33Å
318	H	85.2	Confident	77.4	Confident	112 Å²	112	63.1 Å²	63.1	52%	0.519	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	160.1	177.2	-172.8	70.5	0	0	0	111.2	F275 C286 F288 C358	F275-H318 HydrophobicContact CE1-CB 4.33Å; F275-H318 HydrophobicContact CZ-CB 4.34Å; C286-H318 PolarHBondContact N-O 2.71Å; C286-H318 PolarHBondContact O-N 2.66Å; F288-H318 HydrophobicContact CD2-CB 3.86Å; F288-H318 HydrophobicContact CE2-CB 3.64Å; F288-H318 HydrophobicContact CZ-CB 4.33Å; H318-C358 VanDerWaalsContact C-SG 3.53Å; H318-C358 PolarHBondContact N-SG 3.3Å; H318-C358 VanDerWaalsContact N-SG 3.44Å; H318-C358 PolarHBondContact O-SG 3.28Å
319	G	79.3	Confident	76.4	Confident	21 Å²	21	65.2 Å²	65.2	22%	0.216	33%	0.329	C	S	.	.	S	Bend	trans	126.3	-174.7	-175.5	0	0	0	0	0	112.4	K284	K284-G319 WeakPolarHBondContact O-CA 3.39Å
320	R	76.7	Confident	75.9	Confident	150 Å²	150	68.4 Å²	68.4	57%	0.566	35%	0.345	S	S	*	.			trans	-109.8	161.4	175	-39	175.2	171	171.5	-9.7	111	T283 K284 C285 I322	T283-R320 CarbonylContact O-C 3.59Å; T283-R320 WeakPolarHBondContact O-CA 3.38Å; T283-R320 WeakPolarHBondContact O-CB 3.35Å; T283-R320 PolarHBondContact O-N 2.87Å; K284-R320 CarbonylContact C-O 3.53Å; K284-R320 WeakPolarHBondContact CA-O 3.3Å; C285-R320 PolarHBondContact N-O 3.23Å; R320-I322 HydrophobicContact CB-CD1 4.35Å; R320-I322 HydrophobicContact CB-CG1 4.2Å
321	C	77.1	Confident	75.6	Confident	3 Å²	3	66.7 Å²	66.7	2%	0.02	35%	0.349	C	S	.	.			trans	-126.9	51.3	-176.6	-71.9	0	0	0	0	111.1	M326 P356 C357 C392	C321-M326 HydrophobicContact CB-CE 4.41Å; C321-P356 HydrophobicContact CB-CB 4.06Å; C321-P356 VanDerWaalsContact CB-O 3.28Å; C321-P356 WeakPolarHBondContact CB-O 3.44Å; C321-C357 VanDerWaalsContact SG-C 3.57Å; C321-C392 WeakPolarHBondContact CA-SG 3.15Å; C321-C392 HydrophobicContact CB-CB 3.54Å; C321-C392 WeakPolarHBondContact CB-SG 3.49Å; C321-C392 WeakPolarHBondContact SG-CA 3.36Å; C321-C392 WeakPolarHBondContact SG-CB 3.38Å; C321-C392 CovalentContact SG-SG 2.03Å; C321-C392 PolarHBondContact SG-SG 3.43Å
322	I	69	Low	75.4	Confident	69 Å²	69	66 Å²	66	35%	0.354	35%	0.345	S	S	.	.			trans	-124.5	131.3	-169.6	-48.1	-180	0	0	0	109.7	R320 M355	R320-I322 HydrophobicContact CB-CD1 4.35Å; R320-I322 HydrophobicContact CB-CG1 4.2Å; I322-M355 HydrophobicContact CD1-CE 3.69Å; I322-M355 HydrophobicContact CG1-CE 3.7Å; I322-M355 HydrophobicContact CG2-CE 4.35Å
323	G	64.5	Low	75.1	Confident	24 Å²	24	65.6 Å²	65.6	25%	0.247	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	-156.9	178.8	0	0	0	0	0	113.6	Y325 N337	G323-Y325 PolarHBondContact O-N 2.84Å; G323-N337 PolarHBondContact N-ND2 3.12Å; G323-N337 PolarHBondContact N-OD1 3.1Å; G323-N337 PolarHBondContact O-ND2 2.84Å
324	L	57.5	Low	74.8	Confident	171 Å²	171	67.7 Å²	67.7	90%	0.895	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	4.9	-168.4	-58.2	173.6	0	0	0	116.1
325	Y	57.5	Low	74.6	Confident	144 Å²	144	70.7 Å²	70.7	57%	0.565	37%	0.369	S	S	*	.			trans	-117.1	51.1	-175.8	-59.3	-58	0	0	0	112	K284 G323 P327	K284-Y325 HydrophobicContact CD-CD1 4.46Å; K284-Y325 HydrophobicContact CD-CG 4.19Å; K284-Y325 HydrophobicContact CG-CG 4.39Å; G323-Y325 PolarHBondContact O-N 2.84Å; Y325-P327 VanDerWaalsContact O-CD 3.22Å; Y325-P327 WeakPolarHBondContact O-CD 3.18Å
326	M	64.7	Low	74.3	Confident	32 Å²	32	73 Å²	73	16%	0.158	38%	0.38	C	S	.	.			trans	-102.9	99.3	-179	-160.7	-179.6	-157.3	0	0	109.7	C321 T328 S333 N337 P356 C392	C321-M326 HydrophobicContact CB-CE 4.41Å; M326-T328 VanDerWaalsContact C-N 3.3Å; M326-T328 HydrophobicContact CE-CG2 4.08Å; M326-T328 HydrophobicContact CG-CG2 3.63Å; M326-T328 PolarHBondContact O-N 2.86Å; M326-T328 HydrophobicContact SD-CG2 3.63Å; M326-S333 VanDerWaalsContact CE-O 3.27Å; M326-S333 WeakPolarHBondContact CE-O 3.3Å; M326-N337 HydrophobicContact CE-CB 3.9Å; M326-N337 HydrophobicContact SD-CB 3.48Å; M326-N337 WeakPolarHBondContact SD-CB 3.33Å; M326-N337 PolarHBondContact SD-ND2 2.97Å; M326-P356 HydrophobicContact CE-CB 3.36Å; M326-P356 HydrophobicContact CE-CG 3.67Å; M326-C392 HydrophobicContact CE-CB 3.45Å; M326-C392 VanDerWaalsContact CE-CB 3.45Å; M326-C392 HydrophobicContact CG-CB 3.41Å; M326-C392 VanDerWaalsContact CG-CB 3.41Å; M326-C392 HydrophobicContact SD-CB 4.3Å
327	P	61	Low	73.8	Confident	37 Å²	37	69.9 Å²	69.9	24%	0.24	37%	0.365	C	S	.	.			trans	-71.1	90.6	168.8	29.8	-33.8	0	0	0	108.2	C285 Y325 A391 C392	C285-P327 HydrophobicContact CB-CG 3.93Å; Y325-P327 VanDerWaalsContact O-CD 3.22Å; Y325-P327 WeakPolarHBondContact O-CD 3.18Å; P327-A391 CarbonylContact O-C 3.58Å; P327-A391 WeakPolarHBondContact O-CA 3.34Å; P327-A391 VanDerWaalsContact O-CB 3.27Å; P327-A391 WeakPolarHBondContact O-CB 3.45Å; P327-C392 PolarHBondContact O-N 3.31Å
328	T	66.8	Low	73.2	Confident	20 Å²	20	75.6 Å²	75.6	12%	0.123	38%	0.383	C	S	.	.			trans	-161.8	132.6	172.6	-161	0	0	0	0	109.7	M326 N330 I334 C392	M326-T328 VanDerWaalsContact C-N 3.3Å; M326-T328 HydrophobicContact CE-CG2 4.08Å; M326-T328 HydrophobicContact CG-CG2 3.63Å; M326-T328 PolarHBondContact O-N 2.86Å; M326-T328 HydrophobicContact SD-CG2 3.63Å; T328-N330 VanDerWaalsContact C-N 3.27Å; T328-N330 WeakPolarHBondContact OG1-CB 3.44Å; T328-N330 PolarHBondContact OG1-N 2.98Å; T328-I334 HydrophobicContact CG2-CG1 3.94Å; T328-C392 WeakPolarHBondContact CB-O 3.28Å; T328-C392 PolarHBondContact OG1-O 2.97Å
329	D	67.6	Low	73	Confident	169 Å²	169	76.6 Å²	76.6	90%	0.904	38%	0.383	S	S	*	.			trans	-87.8	-2.9	168.1	-60	-47.6	0	0	0	111.1	A331	D329-A331 PolarHBondContact O-N 2.84Å
330	N	76.9	Confident	72.9	Confident	77 Å²	77	75.8 Å²	75.8	41%	0.412	37%	0.373	S	S	.	.			trans	-71.3	109.7	179.1	-173.6	-3	0	0	0	111.4	T328 H332 S333 I334	T328-N330 VanDerWaalsContact C-N 3.27Å; T328-N330 WeakPolarHBondContact OG1-CB 3.44Å; T328-N330 PolarHBondContact OG1-N 2.98Å; N330-H332 PolarHBondContact O-N 2.84Å; N330-H332 VanDerWaalsContact OD1-CB 3.31Å; N330-H332 WeakPolarHBondContact OD1-CB 3.42Å; N330-H332 PolarHBondContact OD1-N 2.98Å; N330-S333 PolarHBondContact ND2-OG 3.39Å; N330-S333 VanDerWaalsContact ND2-OG 3.15Å; N330-S333 PolarHBondContact O-N 3.41Å; N330-S333 VanDerWaalsContact O-N 3.16Å; N330-I334 WeakPolarHBondContact O-CG1 3.23Å; N330-I334 PolarHBondContact O-N 2.85Å
331	A	80.9	Confident	72.9	Confident	65 Å²	65	71.4 Å²	71.4	54%	0.537	37%	0.366	S	S	.	.	H	α-helix	trans	-55.8	-33.3	176.2	0	0	0	0	0	113.4	D329 L335	D329-A331 PolarHBondContact O-N 2.84Å; A331-L335 WeakPolarHBondContact O-CB 3.42Å; A331-L335 VanDerWaalsContact O-CG 3.25Å; A331-L335 WeakPolarHBondContact O-CG 3.28Å; A331-L335 PolarHBondContact O-N 3.13Å
332	H	81.6	Confident	72.9	Confident	106 Å²	106	74.7 Å²	74.7	49%	0.491	40%	0.4	S	S	.	.	H	α-helix	trans	-63.1	-51.1	176.3	-177.6	94.6	0	0	0	111.1	N330 I334 L335 M336	N330-H332 PolarHBondContact O-N 2.84Å; N330-H332 VanDerWaalsContact OD1-CB 3.31Å; N330-H332 WeakPolarHBondContact OD1-CB 3.42Å; N330-H332 PolarHBondContact OD1-N 2.98Å; H332-I334 VanDerWaalsContact C-N 3.33Å; H332-I334 PolarHBondContact O-N 2.76Å; H332-L335 WeakPolarHBondContact O-CB 3.21Å; H332-L335 PolarHBondContact O-N 2.92Å; H332-L335 VanDerWaalsContact O-N 3.11Å; H332-M336 WeakPolarHBondContact NE2-CE 3.5Å; H332-M336 WeakPolarHBondContact O-CG 3.13Å; H332-M336 PolarHBondContact O-N 2.79Å
333	S	80	Confident	73.2	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-64.1	-37.8	179.9	-52.4	0	0	0	0	111.5	M326 N330 L335 M336 N337 C392 S393	M326-S333 VanDerWaalsContact CE-O 3.27Å; M326-S333 WeakPolarHBondContact CE-O 3.3Å; N330-S333 PolarHBondContact ND2-OG 3.39Å; N330-S333 VanDerWaalsContact ND2-OG 3.15Å; N330-S333 PolarHBondContact O-N 3.41Å; N330-S333 VanDerWaalsContact O-N 3.16Å; S333-L335 PolarHBondContact O-N 2.91Å; S333-M336 PolarHBondContact O-N 2.84Å; S333-N337 WeakPolarHBondContact O-CB 3.44Å; S333-N337 PolarHBondContact O-N 2.95Å; S333-C392 WeakPolarHBondContact CB-O 3.09Å; S333-C392 PolarHBondContact OG-O 3.23Å; S333-S393 VanDerWaalsContact CB-OXT 3.23Å; S333-S393 WeakPolarHBondContact CB-OXT 3.17Å; S333-S393 WeakPolarHBondContact OG-CA 3.35Å; S333-S393 PolarHBondContact OG-OXT 2.87Å
334	I	77.5	Confident	73.8	Confident	59 Å²	59	73.1 Å²	73.1	30%	0.303	40%	0.395	S	S	.	.	H	α-helix	trans	-60.6	-43.6	171.5	-66	168.3	0	0	0	111.5	T328 N330 H332 R338	T328-I334 HydrophobicContact CG2-CG1 3.94Å; N330-I334 WeakPolarHBondContact O-CG1 3.23Å; N330-I334 PolarHBondContact O-N 2.85Å; H332-I334 VanDerWaalsContact C-N 3.33Å; H332-I334 PolarHBondContact O-N 2.76Å; I334-R338 WeakPolarHBondContact O-CG 3.34Å; I334-R338 PolarHBondContact O-N 3.18Å
335	L	80.5	Confident	74.6	Confident	103 Å²	103	68.7 Å²	68.7	54%	0.539	38%	0.378	S	S	.	.	H	α-helix	trans	-65.4	-44.3	177.1	-74.3	166.8	0	0	0	111.6	A331 H332 S333 R338 Y339	A331-L335 WeakPolarHBondContact O-CB 3.42Å; A331-L335 VanDerWaalsContact O-CG 3.25Å; A331-L335 WeakPolarHBondContact O-CG 3.28Å; A331-L335 PolarHBondContact O-N 3.13Å; H332-L335 WeakPolarHBondContact O-CB 3.21Å; H332-L335 PolarHBondContact O-N 2.92Å; H332-L335 VanDerWaalsContact O-N 3.11Å; S333-L335 PolarHBondContact O-N 2.91Å; L335-R338 WeakPolarHBondContact O-CB 3.13Å; L335-R338 PolarHBondContact O-N 2.84Å; L335-Y339 PolarHBondContact O-N 3.15Å
336	M	81.1	Confident	75.5	Confident	68 Å²	68	67.2 Å²	67.2	34%	0.335	38%	0.384	S	S	.	.	H	α-helix	trans	-60	-49.1	175.6	-72.1	-60.4	-178.7	0	0	111.5	H332 S333 R338 Y339 F340 P356	H332-M336 WeakPolarHBondContact NE2-CE 3.5Å; H332-M336 WeakPolarHBondContact O-CG 3.13Å; H332-M336 PolarHBondContact O-N 2.79Å; S333-M336 PolarHBondContact O-N 2.84Å; M336-R338 VanDerWaalsContact C-N 3.29Å; M336-R338 PolarHBondContact O-N 3.36Å; M336-Y339 WeakPolarHBondContact O-CA 3.23Å; M336-Y339 WeakPolarHBondContact O-CB 3.35Å; M336-Y339 PolarHBondContact O-N 3.49Å; M336-F340 HydrophobicContact CB-CD2 4.34Å; M336-F340 HydrophobicContact CB-CE2 4.32Å; M336-F340 WeakPolarHBondContact O-CD2 3.43Å; M336-F340 PolarHBondContact O-N 3.06Å; M336-P356 HydrophobicContact CB-CG 3.76Å
337	N	77.1	Confident	75.7	Confident	11 Å²	11	70.7 Å²	70.7	6%	0.059	40%	0.4	C	S	.	.	H	α-helix	trans	-61.7	-35.7	178.1	-176.4	-2.2	0	0	0	112.2	G323 M326 S333 S341	G323-N337 PolarHBondContact N-ND2 3.12Å; G323-N337 PolarHBondContact N-OD1 3.1Å; G323-N337 PolarHBondContact O-ND2 2.84Å; M326-N337 HydrophobicContact CE-CB 3.9Å; M326-N337 HydrophobicContact SD-CB 3.48Å; M326-N337 WeakPolarHBondContact SD-CB 3.33Å; M326-N337 PolarHBondContact SD-ND2 2.97Å; S333-N337 WeakPolarHBondContact O-CB 3.44Å; S333-N337 PolarHBondContact O-N 2.95Å; N337-S341 WeakPolarHBondContact O-CB 3.16Å; N337-S341 PolarHBondContact O-N 3.43Å; N337-S341 PolarHBondContact O-OG 3.04Å; N337-S341 PolarHBondContact OD1-OG 3.43Å
338	R	75.3	Confident	76.2	Confident	147 Å²	147	72.2 Å²	72.2	56%	0.555	40%	0.401	S	S	*	.	H	α-helix	trans	-61.8	-45.2	170.5	-74.8	173.5	180	178.3	2.1	112.3	I334 L335 M336 S341 G342	I334-R338 WeakPolarHBondContact O-CG 3.34Å; I334-R338 PolarHBondContact O-N 3.18Å; L335-R338 WeakPolarHBondContact O-CB 3.13Å; L335-R338 PolarHBondContact O-N 2.84Å; M336-R338 VanDerWaalsContact C-N 3.29Å; M336-R338 PolarHBondContact O-N 3.36Å; R338-S341 PolarHBondContact O-N 3.49Å; R338-G342 PolarHBondContact O-N 2.83Å
339	Y	80.7	Confident	76.4	Confident	133 Å²	133	78.3 Å²	78.3	52%	0.522	43%	0.428	S	S	.	.	H	α-helix	trans	-59.4	-56.6	175.3	175.5	-112	0	0	0	111	L335 M336 S341 G342 L343 I351	L335-Y339 PolarHBondContact O-N 3.15Å; M336-Y339 WeakPolarHBondContact O-CA 3.23Å; M336-Y339 WeakPolarHBondContact O-CB 3.35Å; M336-Y339 PolarHBondContact O-N 3.49Å; Y339-S341 PolarHBondContact O-N 3.11Å; Y339-S341 VanDerWaalsContact O-N 3.14Å; Y339-G342 PolarHBondContact O-N 3.14Å; Y339-L343 HydrophobicContact CD1-CD1 4.28Å; Y339-L343 HydrophobicContact CE1-CD1 3.9Å; Y339-L343 HydrophobicContact CE2-CD2 4.18Å; Y339-L343 PolarHBondContact O-N 3.41Å; Y339-I351 HydrophobicContact CE1-CD1 3.71Å
340	F	77.7	Confident	76.3	Confident	3 Å²	3	74.3 Å²	74.3	1%	0.013	42%	0.418	C	S	.	.	H	α-helix	trans	-59.3	-26.7	176.5	-75.5	-70.6	0	0	0	114.5	M336 L343 R348 I351 S354 M355	M336-F340 HydrophobicContact CB-CD2 4.34Å; M336-F340 HydrophobicContact CB-CE2 4.32Å; M336-F340 WeakPolarHBondContact O-CD2 3.43Å; M336-F340 PolarHBondContact O-N 3.06Å; F340-L343 HydrophobicContact CD1-CD1 4.1Å; F340-R348 HydrophobicContact CD1-CG 4.44Å; F340-R348 VanDerWaalsContact O-CZ 3.23Å; F340-R348 PolarHBondContact O-NE 3.25Å; F340-R348 PolarHBondContact O-NH2 3.03Å; F340-I351 HydrophobicContact CD1-CD1 4.25Å; F340-I351 HydrophobicContact CE1-CB 4.4Å; F340-I351 HydrophobicContact CE1-CD1 3.41Å; F340-I351 VanDerWaalsContact CE1-CD1 3.41Å; F340-I351 HydrophobicContact CE1-CG1 3.71Å; F340-I351 WeakPolarHBondContact CE1-O 3.49Å; F340-I351 HydrophobicContact CZ-CD1 3.83Å; F340-I351 HydrophobicContact CZ-CG1 4.41Å; F340-S354 WeakPolarHBondContact CE2-O 3.45Å; F340-S354 VanDerWaalsContact CZ-C 3.41Å; F340-S354 VanDerWaalsContact CZ-O 3.26Å; F340-S354 WeakPolarHBondContact CZ-O 3.43Å; F340-M355 HydrophobicContact CB-CE 3.98Å; F340-M355 HydrophobicContact CD1-CE 4.18Å; F340-M355 HydrophobicContact CD1-CG 3.56Å; F340-M355 HydrophobicContact CD1-SD 4.23Å; F340-M355 HydrophobicContact CD2-CG 4.21Å; F340-M355 HydrophobicContact CE1-CB 4.47Å; F340-M355 HydrophobicContact CE1-CG 3.44Å; F340-M355 VanDerWaalsContact CE1-CG 3.44Å; F340-M355 HydrophobicContact CE2-CB 4.46Å; F340-M355 HydrophobicContact CE2-CG 4.19Å; F340-M355 HydrophobicContact CG-CE 4.07Å; F340-M355 HydrophobicContact CG-CG 3.96Å; F340-M355 HydrophobicContact CZ-CB 4.39Å; F340-M355 HydrophobicContact CZ-CG 3.81Å
341	S	75.6	Confident	76	Confident	59 Å²	59	73.5 Å²	73.5	41%	0.413	41%	0.413	S	S	.	.	H	α-helix	trans	-75.1	-25	175.1	-65.1	0	0	0	0	113	N337 R338 Y339	N337-S341 WeakPolarHBondContact O-CB 3.16Å; N337-S341 PolarHBondContact O-N 3.43Å; N337-S341 PolarHBondContact O-OG 3.04Å; N337-S341 PolarHBondContact OD1-OG 3.43Å; R338-S341 PolarHBondContact O-N 3.49Å; Y339-S341 PolarHBondContact O-N 3.11Å; Y339-S341 VanDerWaalsContact O-N 3.14Å
342	G	77.6	Confident	75.4	Confident	72 Å²	72	77.3 Å²	77.3	74%	0.742	42%	0.415	S	S	*	.	H	α-helix	trans	-83.9	-26.4	176.7	0	0	0	0	0	114.5	R338 Y339	R338-G342 PolarHBondContact O-N 2.83Å; Y339-G342 PolarHBondContact O-N 3.14Å
343	L	75.7	Confident	74.9	Confident	23 Å²	23	79.9 Å²	79.9	12%	0.12	43%	0.432	C	S	.	.	S	Bend	trans	-65.5	151	-179.3	-65.9	178.7	0	0	0	113.8	Y339 F340 E347 R348 I351	Y339-L343 HydrophobicContact CD1-CD1 4.28Å; Y339-L343 HydrophobicContact CE1-CD1 3.9Å; Y339-L343 HydrophobicContact CE2-CD2 4.18Å; Y339-L343 PolarHBondContact O-N 3.41Å; F340-L343 HydrophobicContact CD1-CD1 4.1Å; L343-E347 HydrophobicContact CB-CB 4.01Å; L343-E347 HydrophobicContact CD1-CB 4.3Å; L343-E347 HydrophobicContact CD2-CB 4.12Å; L343-E347 HydrophobicContact CG-CB 4.36Å; L343-R348 PolarHBondContact O-NH2 3.25Å; L343-I351 HydrophobicContact CD1-CD1 3.76Å; L343-I351 HydrophobicContact CD1-CG1 4.3Å
344	G	76.4	Confident	74.8	Confident	36 Å²	36	83.8 Å²	83.8	37%	0.371	46%	0.459	S	S	.	.			trans	-64.4	171.3	167.2	0	0	0	0	0	112.7	E347 R348	G344-E347 PolarHBondContact N-OE2 3.48Å; G344-R348 VanDerWaalsContact O-CB 3.25Å; G344-R348 WeakPolarHBondContact O-CB 3.43Å; G344-R348 PolarHBondContact O-N 2.93Å
345	S	75.7	Confident	74.6	Confident	78 Å²	78	82 Å²	82	55%	0.545	45%	0.45	S	S	.	.	H	α-helix	trans	-59.6	-51.1	176.6	43.2	0	0	0	0	112	E347 R348 E349	S345-E347 PolarHBondContact O-N 3.4Å; S345-R348 PolarHBondContact O-N 3.21Å; S345-E349 WeakPolarHBondContact O-CG 3.46Å; S345-E349 PolarHBondContact O-N 3.3Å
346	V	75.1	Confident	74.6	Confident	113 Å²	113	77.8 Å²	77.8	69%	0.685	43%	0.429	S	S	*	.	H	α-helix	trans	-59.2	-46.6	-178	-176.9	0	0	0	0	111.6	E349 A350	V346-E349 PolarHBondContact O-N 3.17Å; V346-A350 WeakPolarHBondContact O-CB 3.26Å; V346-A350 PolarHBondContact O-N 3.46Å
347	E	69.8	Low	74.9	Confident	105 Å²	105	78 Å²	78	49%	0.491	44%	0.436	S	S	.	.	H	α-helix	trans	-64.5	-44	177.8	-61.1	173.4	123.7	0	0	111.7	L343 G344 S345 E349 A350 I351	L343-E347 HydrophobicContact CB-CB 4.01Å; L343-E347 HydrophobicContact CD1-CB 4.3Å; L343-E347 HydrophobicContact CD2-CB 4.12Å; L343-E347 HydrophobicContact CG-CB 4.36Å; G344-E347 PolarHBondContact N-OE2 3.48Å; S345-E347 PolarHBondContact O-N 3.4Å; E347-E349 VanDerWaalsContact C-N 3.28Å; E347-E349 PolarHBondContact O-N 3.46Å; E347-A350 PolarHBondContact O-N 2.93Å; E347-I351 VanDerWaalsContact O-CG1 3.24Å; E347-I351 WeakPolarHBondContact O-CG1 3.37Å; E347-I351 PolarHBondContact O-N 3.43Å
348	R	70.3	Confident	75.3	Confident	70 Å²	70	78.4 Å²	78.4	26%	0.264	44%	0.44	S	S	.	.	H	α-helix	trans	-63.8	-32.9	178	-173.5	-177.4	-63.5	113.5	6.4	112.4	F340 L343 G344 S345 Y352 M355	F340-R348 HydrophobicContact CD1-CG 4.44Å; F340-R348 VanDerWaalsContact O-CZ 3.23Å; F340-R348 PolarHBondContact O-NE 3.25Å; F340-R348 PolarHBondContact O-NH2 3.03Å; L343-R348 PolarHBondContact O-NH2 3.25Å; G344-R348 VanDerWaalsContact O-CB 3.25Å; G344-R348 WeakPolarHBondContact O-CB 3.43Å; G344-R348 PolarHBondContact O-N 2.93Å; S345-R348 PolarHBondContact O-N 3.21Å; R348-Y352 WeakPolarHBondContact O-CA 3.09Å; R348-Y352 PolarHBondContact O-N 3.29Å; R348-Y352 VanDerWaalsContact O-N 3.15Å; R348-M355 HydrophobicContact CG-CE 4.19Å; R348-M355 HydrophobicContact CG-SD 3.85Å
349	E	70.4	Confident	76	Confident	148 Å²	148	72.9 Å²	72.9	69%	0.692	43%	0.426	S	S	*	.	H	α-helix	trans	-73.5	-43.2	174	-74.3	175	-171.2	0	0	111.6	S345 V346 E347 I351 Y352	S345-E349 WeakPolarHBondContact O-CG 3.46Å; S345-E349 PolarHBondContact O-N 3.3Å; V346-E349 PolarHBondContact O-N 3.17Å; E347-E349 VanDerWaalsContact C-N 3.28Å; E347-E349 PolarHBondContact O-N 3.46Å; E349-I351 VanDerWaalsContact C-N 3.26Å; E349-I351 PolarHBondContact O-N 3.4Å; E349-Y352 WeakPolarHBondContact O-CB 3.33Å; E349-Y352 PolarHBondContact O-N 2.66Å; E349-Y352 VanDerWaalsContact O-N 3.16Å
350	A	65.6	Low	76.4	Confident	84 Å²	84	68.7 Å²	68.7	69%	0.694	42%	0.418	S	S	*	.	H	α-helix	trans	-58.7	-33.8	179.3	0	0	0	0	0	113.7	V346 E347	V346-A350 WeakPolarHBondContact O-CB 3.26Å; V346-A350 PolarHBondContact O-N 3.46Å; E347-A350 PolarHBondContact O-N 2.93Å
351	I	71.7	Confident	76.9	Confident	60 Å²	60	73.2 Å²	73.2	31%	0.308	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	29.2	175.5	54.3	155.8	0	0	0	113.5	Y339 F340 L343 E347 E349 N353 S354	Y339-I351 HydrophobicContact CE1-CD1 3.71Å; F340-I351 HydrophobicContact CD1-CD1 4.25Å; F340-I351 HydrophobicContact CE1-CB 4.4Å; F340-I351 HydrophobicContact CE1-CD1 3.41Å; F340-I351 VanDerWaalsContact CE1-CD1 3.41Å; F340-I351 HydrophobicContact CE1-CG1 3.71Å; F340-I351 WeakPolarHBondContact CE1-O 3.49Å; F340-I351 HydrophobicContact CZ-CD1 3.83Å; F340-I351 HydrophobicContact CZ-CG1 4.41Å; L343-I351 HydrophobicContact CD1-CD1 3.76Å; L343-I351 HydrophobicContact CD1-CG1 4.3Å; E347-I351 VanDerWaalsContact O-CG1 3.24Å; E347-I351 WeakPolarHBondContact O-CG1 3.37Å; E347-I351 PolarHBondContact O-N 3.43Å; E349-I351 VanDerWaalsContact C-N 3.26Å; E349-I351 PolarHBondContact O-N 3.4Å; I351-N353 PolarHBondContact O-N 2.93Å; I351-S354 WeakPolarHBondContact O-CB 3.27Å; I351-S354 PolarHBondContact O-N 2.81Å
352	Y	68.2	Low	77.5	Confident	145 Å²	145	74.8 Å²	74.8	57%	0.569	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-55.5	-36.5	179.5	-175.8	-95.2	0	0	0	113.3	R348 E349 S354 M355	R348-Y352 WeakPolarHBondContact O-CA 3.09Å; R348-Y352 PolarHBondContact O-N 3.29Å; R348-Y352 VanDerWaalsContact O-N 3.15Å; E349-Y352 WeakPolarHBondContact O-CB 3.33Å; E349-Y352 PolarHBondContact O-N 2.66Å; E349-Y352 VanDerWaalsContact O-N 3.16Å; Y352-S354 PolarHBondContact O-N 3.04Å; Y352-M355 HydrophobicContact CD2-SD 3.6Å; Y352-M355 HydrophobicContact CE2-SD 3.94Å; Y352-M355 HydrophobicContact CG-SD 4.44Å; Y352-M355 VanDerWaalsContact O-CB 3.29Å; Y352-M355 WeakPolarHBondContact O-CB 3.38Å; Y352-M355 WeakPolarHBondContact O-CG 3.5Å; Y352-M355 PolarHBondContact O-N 3.12Å; Y352-M355 VanDerWaalsContact O-N 3.07Å
353	N	71.9	Confident	78.2	Confident	161 Å²	161	73.6 Å²	73.6	86%	0.861	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-67.3	-15	178.7	-66.5	-17.6	0	0	0	113.8	I351	I351-N353 PolarHBondContact O-N 2.93Å
354	S	76.3	Confident	78.8	Confident	81 Å²	81	75.6 Å²	75.6	57%	0.566	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-97.6	2.2	175.8	-54.2	0	0	0	0	112.5	F340 I351 Y352	F340-S354 WeakPolarHBondContact CE2-O 3.45Å; F340-S354 VanDerWaalsContact CZ-C 3.41Å; F340-S354 VanDerWaalsContact CZ-O 3.26Å; F340-S354 WeakPolarHBondContact CZ-O 3.43Å; I351-S354 WeakPolarHBondContact O-CB 3.27Å; I351-S354 PolarHBondContact O-N 2.81Å; Y352-S354 PolarHBondContact O-N 3.04Å
355	M	74.6	Confident	79.6	Confident	23 Å²	23	74.4 Å²	74.4	11%	0.113	42%	0.418	C	S	.	.	S	Bend	trans	-69.3	140.3	175	-67	-167.4	75.4	0	0	110.9	I322 F340 R348 Y352 C357	I322-M355 HydrophobicContact CD1-CE 3.69Å; I322-M355 HydrophobicContact CG1-CE 3.7Å; I322-M355 HydrophobicContact CG2-CE 4.35Å; F340-M355 HydrophobicContact CB-CE 3.98Å; F340-M355 HydrophobicContact CD1-CE 4.18Å; F340-M355 HydrophobicContact CD1-CG 3.56Å; F340-M355 HydrophobicContact CD1-SD 4.23Å; F340-M355 HydrophobicContact CD2-CG 4.21Å; F340-M355 HydrophobicContact CE1-CB 4.47Å; F340-M355 HydrophobicContact CE1-CG 3.44Å; F340-M355 VanDerWaalsContact CE1-CG 3.44Å; F340-M355 HydrophobicContact CE2-CB 4.46Å; F340-M355 HydrophobicContact CE2-CG 4.19Å; F340-M355 HydrophobicContact CG-CE 4.07Å; F340-M355 HydrophobicContact CG-CG 3.96Å; F340-M355 HydrophobicContact CZ-CB 4.39Å; F340-M355 HydrophobicContact CZ-CG 3.81Å; R348-M355 HydrophobicContact CG-CE 4.19Å; R348-M355 HydrophobicContact CG-SD 3.85Å; Y352-M355 HydrophobicContact CD2-SD 3.6Å; Y352-M355 HydrophobicContact CE2-SD 3.94Å; Y352-M355 HydrophobicContact CG-SD 4.44Å; Y352-M355 VanDerWaalsContact O-CB 3.29Å; Y352-M355 WeakPolarHBondContact O-CB 3.38Å; Y352-M355 WeakPolarHBondContact O-CG 3.5Å; Y352-M355 PolarHBondContact O-N 3.12Å; Y352-M355 VanDerWaalsContact O-N 3.07Å; M355-C357 PolarHBondContact O-N 3.28Å
356	P	80.8	Confident	80.1	Confident	13 Å²	13	71.4 Å²	71.4	8%	0.084	40%	0.395	C	S	.	.			trans	-49.5	137.9	171.5	-31.1	37.5	0	0	0	112	C321 M326 M336 S393	C321-P356 HydrophobicContact CB-CB 4.06Å; C321-P356 VanDerWaalsContact CB-O 3.28Å; C321-P356 WeakPolarHBondContact CB-O 3.44Å; M326-P356 HydrophobicContact CE-CB 3.36Å; M326-P356 HydrophobicContact CE-CG 3.67Å; M336-P356 HydrophobicContact CB-CG 3.76Å; P356-S393 CarbonylContact C-O 3.14Å; P356-S393 VanDerWaalsContact CA-O 3.22Å; P356-S393 WeakPolarHBondContact CA-O 3.3Å
357	C	85.8	Confident	80.8	Confident	72 Å²	72	68.4 Å²	68.4	49%	0.486	38%	0.377	S	S	.	.			trans	-116	159.2	-174.4	79.1	0	0	0	0	112	C321 M355 A359 C392 S393	C321-C357 VanDerWaalsContact SG-C 3.57Å; M355-C357 PolarHBondContact O-N 3.28Å; C357-A359 PolarHBondContact O-N 3.29Å; C357-C392 WeakPolarHBondContact O-CA 3.48Å; C357-S393 PolarHBondContact N-O 3.08Å; C357-S393 PolarHBondContact O-N 3.07Å; C357-S393 VanDerWaalsContact O-N 3.11Å
358	C	86.5	Confident	81.9	Confident	21 Å²	21	63.5 Å²	63.5	14%	0.142	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	96.5	178.5	-176.8	0	0	0	0	110.5	C285 C286 C317 H318	C285-C358 WeakPolarHBondContact CA-SG 3.34Å; C285-C358 HydrophobicContact CB-CB 3.56Å; C285-C358 WeakPolarHBondContact CB-SG 3.5Å; C285-C358 WeakPolarHBondContact SG-CA 3.4Å; C285-C358 WeakPolarHBondContact SG-CB 3.28Å; C285-C358 CovalentContact SG-SG 2.04Å; C285-C358 PolarHBondContact SG-SG 3.49Å; C286-C358 PolarHBondContact N-SG 2.88Å; C286-C358 VanDerWaalsContact N-SG 3.41Å; C317-C358 WeakPolarHBondContact CB-O 3.46Å; H318-C358 VanDerWaalsContact C-SG 3.53Å; H318-C358 PolarHBondContact N-SG 3.3Å; H318-C358 VanDerWaalsContact N-SG 3.44Å; H318-C358 PolarHBondContact O-SG 3.28Å
359	A	89.2	Confident	82.9	Confident	31 Å²	31	62.4 Å²	62.4	26%	0.256	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	169.1	-174.3	0	0	0	0	0	111.9	C317 C357 N361 C390 A391 S393	C317-A359 VanDerWaalsContact SG-C 3.51Å; C317-A359 PolarHBondContact SG-O 2.96Å; C317-A359 VanDerWaalsContact SG-O 3.38Å; C357-A359 PolarHBondContact O-N 3.29Å; A359-N361 PolarHBondContact O-N 3.24Å; A359-C390 CarbonylContact O-C 3.53Å; A359-C390 WeakPolarHBondContact O-CA 3.2Å; A359-A391 PolarHBondContact N-O 2.97Å; A359-A391 PolarHBondContact O-N 3.06Å; A359-S393 WeakPolarHBondContact CB-OG 3.28Å
360	A	89.4	Confident	84	Confident	45 Å²	45	57.4 Å²	57.4	37%	0.372	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	119.5	171.9	0	0	0	0	0	109.6	C317 T363 K387 N389	C317-A360 VanDerWaalsContact SG-CA 3.51Å; C317-A360 PolarHBondContact SG-N 2.96Å; A360-T363 HydrophobicContact CB-CG2 4.09Å; A360-K387 HydrophobicContact CB-CB 4.23Å; A360-K387 HydrophobicContact CB-CD 4.09Å; A360-K387 HydrophobicContact CB-CG 3.82Å; A360-N389 WeakPolarHBondContact CA-O 3.05Å
361	N	88.2	Confident	85.2	Confident	98 Å²	98	58.3 Å²	58.3	52%	0.524	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-38.9	174.3	-167.5	66.7	0	0	0	111.1	A359 N389 A391	A359-N361 PolarHBondContact O-N 3.24Å; N361-N389 HydrophobicContact CB-CB 4.27Å; N361-N389 PolarHBondContact N-O 2.79Å; N361-A391 HydrophobicContact CB-CB 3.6Å
362	E	88.9	Confident	86.1	Confident	91 Å²	91	57 Å²	57	43%	0.425	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	139.5	179	-65.7	150.1	-130.9	0	0	109.1	T388 N389	E362-T388 WeakPolarHBondContact CB-OG1 3.46Å; E362-T388 PolarHBondContact O-N 2.94Å; E362-T388 PolarHBondContact O-OG1 3.37Å; E362-N389 HydrophobicContact CB-CB 3.85Å; E362-N389 HydrophobicContact CG-CB 4Å; E362-N389 PolarHBondContact N-O 2.69Å; E362-N389 PolarHBondContact O-N 3.36Å; E362-N389 VanDerWaalsContact OE1-CB 3.28Å; E362-N389 WeakPolarHBondContact OE1-CB 3.44Å; E362-N389 PolarHBondContact OE1-ND2 2.9Å
363	T	91.3	Very high	87.2	Confident	47 Å²	47	59.9 Å²	59.9	29%	0.288	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.5	169	53.3	0	0	0	0	108.6	A360 K384 V386 K387	A360-T363 HydrophobicContact CB-CG2 4.09Å; T363-K384 HydrophobicContact CG2-CB 4.2Å; T363-V386 CarbonylContact C-O 3.42Å; T363-V386 VanDerWaalsContact CA-O 3.24Å; T363-V386 WeakPolarHBondContact CA-O 3.2Å; T363-K387 HydrophobicContact CG2-CG 4.27Å
364	I	88.4	Confident	88.2	Confident	66 Å²	66	59.7 Å²	59.7	34%	0.338	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	162	158.6	64.7	-170.4	0	0	0	108.7	T143 V386 T388	T143-I364 HydrophobicContact CG2-CD1 3.26Å; T143-I364 HydrophobicContact CG2-CG1 3.79Å; I364-V386 HydrophobicContact CG1-CB 3.97Å; I364-V386 HydrophobicContact CG1-CG1 4.42Å; I364-V386 PolarHBondContact N-O 3.11Å; I364-V386 CarbonylContact O-C 3.53Å; I364-V386 WeakPolarHBondContact O-CA 3.2Å; I364-V386 WeakPolarHBondContact O-CB 3.48Å; I364-V386 PolarHBondContact O-N 2.92Å; I364-V386 VanDerWaalsContact O-O 3.05Å; I364-T388 HydrophobicContact CB-CG2 4.26Å; I364-T388 HydrophobicContact CD1-CG2 3.47Å; I364-T388 VanDerWaalsContact CD1-CG2 3.47Å; I364-T388 HydrophobicContact CG1-CG2 3.53Å; I364-T388 HydrophobicContact CG2-CG2 4Å
365	P	92.8	Very high	88.9	Confident	10 Å²	10	61.3 Å²	61.3	7%	0.065	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-173.4	-164.3	19.5	-0.5	0	0	0	112.4	T144 T145 I146 L382	T144-P365 VanDerWaalsContact CA-O 3.3Å; T144-P365 WeakPolarHBondContact CA-O 3.33Å; T145-P365 VanDerWaalsContact C-CG 3.46Å; I146-P365 VanDerWaalsContact N-CB 3.35Å; P365-L382 WeakPolarHBondContact CA-O 3.4Å; P365-L382 WeakPolarHBondContact CB-O 3.44Å
366	F	87.6	Confident	89.7	Confident	16 Å²	16	66 Å²	66	7%	0.07	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	131.2	-177.9	-156.2	-72.6	0	0	0	113.4	T143 T145 P309 L312 P313 I368 L382 A385 V386	T143-F366 VanDerWaalsContact C-CE2 3.41Å; T143-F366 WeakPolarHBondContact O-CE2 3.2Å; T143-F366 WeakPolarHBondContact O-CZ 3.01Å; T145-F366 CarbonylContact O-C 3.58Å; T145-F366 WeakPolarHBondContact O-CA 3.26Å; T145-F366 PolarHBondContact O-N 2.85Å; P309-F366 HydrophobicContact CB-CE1 4.28Å; P309-F366 HydrophobicContact CB-CZ 4.32Å; P309-F366 HydrophobicContact CG-CD1 4.46Å; P309-F366 HydrophobicContact CG-CE1 3.51Å; P309-F366 HydrophobicContact CG-CZ 3.82Å; L312-F366 HydrophobicContact CD1-CB 4.32Å; L312-F366 HydrophobicContact CD1-CD1 3.66Å; L312-F366 HydrophobicContact CD1-CD2 4.14Å; L312-F366 HydrophobicContact CD1-CE1 4.08Å; L312-F366 HydrophobicContact CD1-CE2 4.47Å; L312-F366 HydrophobicContact CD1-CG 3.75Å; L312-F366 HydrophobicContact CD1-CZ 4.46Å; P313-F366 VanDerWaalsContact CD-CE2 3.43Å; P313-F366 HydrophobicContact CG-CD2 4.08Å; P313-F366 HydrophobicContact CG-CE2 3.68Å; F366-I368 HydrophobicContact CD1-CG2 4.39Å; F366-L382 PolarHBondContact N-O 3.32Å; F366-L382 WeakPolarHBondContact O-CB 3.31Å; F366-L382 PolarHBondContact O-N 2.96Å; F366-A385 HydrophobicContact CB-CB 3.61Å; F366-V386 HydrophobicContact CB-CG2 4.14Å; F366-V386 HydrophobicContact CD2-CG2 3.86Å; F366-V386 HydrophobicContact CG-CG2 4.49Å
367	T	90.1	Very high	90.3	Very high	49 Å²	49	71 Å²	71	30%	0.301	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	126.1	174.7	-51	0	0	0	0	112.5	T144 T145 E380 T381	T144-T367 WeakPolarHBondContact O-CB 3.36Å; T144-T367 PolarHBondContact O-N 2.54Å; T144-T367 PolarHBondContact O-OG1 3.41Å; T145-T367 PolarHBondContact N-OG1 3.31Å; T367-E380 CarbonylContact C-O 3.56Å; T367-E380 VanDerWaalsContact CA-O 3.28Å; T367-E380 WeakPolarHBondContact CA-O 3.48Å; T367-E380 WeakPolarHBondContact CG2-O 3.4Å; T367-T381 HydrophobicContact CG2-CG2 4.18Å; T367-T381 VanDerWaalsContact OG1-CG2 3.25Å; T367-T381 WeakPolarHBondContact OG1-CG2 3.47Å
368	I	91.8	Very high	90.7	Very high	3 Å²	3	69.8 Å²	69.8	2%	0.015	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	154.8	173.5	57.8	164	0	0	0	111.4	F305 I306 F366 Y370 T379 E380 L382	F305-I368 HydrophobicContact CE2-CD1 4.02Å; I306-I368 HydrophobicContact CD1-CG2 4.22Å; I306-I368 HydrophobicContact CG1-CD1 4.14Å; I306-I368 HydrophobicContact CG1-CG2 4.42Å; I306-I368 HydrophobicContact CG2-CB 4.22Å; I306-I368 HydrophobicContact CG2-CG2 4.11Å; F366-I368 HydrophobicContact CD1-CG2 4.39Å; I368-Y370 HydrophobicContact CD1-CD1 4.08Å; I368-Y370 HydrophobicContact CG1-CD1 4.4Å; I368-T379 CarbonylContact O-C 3.54Å; I368-T379 VanDerWaalsContact O-CA 3.27Å; I368-T379 WeakPolarHBondContact O-CA 3.32Å; I368-E380 HydrophobicContact CG1-CB 4.24Å; I368-E380 PolarHBondContact N-O 3.32Å; I368-E380 PolarHBondContact O-N 3.29Å; I368-L382 HydrophobicContact CD1-CD1 4.13Å; I368-L382 HydrophobicContact CD1-CD2 4.42Å; I368-L382 HydrophobicContact CD1-CG 4.4Å; I368-L382 HydrophobicContact CG1-CD1 4.28Å; I368-L382 HydrophobicContact CG1-CG 4.34Å; I368-L382 HydrophobicContact CG2-CD1 3.99Å
369	L	91.5	Very high	91	Very high	46 Å²	46	73.7 Å²	73.7	24%	0.241	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.2	166.5	177	73.4	0	0	0	108.4	I307 F308 L377 V378 T379	I307-L369 WeakPolarHBondContact CB-O 3.29Å; I307-L369 HydrophobicContact CG2-CD2 4.38Å; I307-L369 PolarHBondContact N-O 3.42Å; F308-L369 HydrophobicContact CB-CB 4.06Å; F308-L369 HydrophobicContact CB-CD2 4.24Å; F308-L369 PolarHBondContact N-O 3.13Å; F308-L369 PolarHBondContact O-N 3.07Å; L369-L377 HydrophobicContact CD1-CB 4.32Å; L369-L377 HydrophobicContact CD1-CD2 4.47Å; L369-V378 WeakPolarHBondContact CA-O 3.3Å; L369-T379 HydrophobicContact CD1-CG2 3.74Å
370	Y	93.8	Very high	91.1	Very high	43 Å²	43	76 Å²	76	17%	0.169	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	-177.8	176	71.5	-69.8	0	0	0	111.8	F305 I368 L377 V378 E380	F305-Y370 AromaticContact CD2-CD2 3.65Å; F305-Y370 HydrophobicContact CD2-CD2 3.65Å; F305-Y370 AromaticContact CD2-CG 3.81Å; F305-Y370 HydrophobicContact CD2-CG 3.81Å; F305-Y370 AromaticContact CE2-CD2 3.95Å; F305-Y370 HydrophobicContact CE2-CD2 3.95Å; F305-Y370 HydrophobicContact CE2-CE2 4.49Å; F305-Y370 HydrophobicContact CE2-CG 4Å; F305-Y370 WeakPolarHBondContact O-CB 3.39Å; I368-Y370 HydrophobicContact CD1-CD1 4.08Å; I368-Y370 HydrophobicContact CG1-CD1 4.4Å; Y370-L377 WeakPolarHBondContact O-CA 3.23Å; Y370-V378 WeakPolarHBondContact CD1-O 3.29Å; Y370-V378 HydrophobicContact CE1-CB 4.23Å; Y370-V378 HydrophobicContact CE1-CG1 4.14Å; Y370-V378 PolarHBondContact N-O 2.87Å; Y370-V378 PolarHBondContact O-N 3.17Å; Y370-E380 HydrophobicContact CD1-CB 4.48Å; Y370-E380 HydrophobicContact CE1-CB 3.71Å; Y370-E380 PolarHBondContact OH-OE2 2.7Å
371	K	90.6	Very high	91.2	Very high	103 Å²	103	76.4 Å²	76.4	45%	0.448	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.7	169.3	-87.7	-179	154.5	-154.9	0	110.3	I307 D375 Q376 L377	I307-K371 HydrophobicContact CD1-CG 4Å; K371-D375 WeakPolarHBondContact CD-OD1 3.22Å; K371-D375 WeakPolarHBondContact CE-O 3.16Å; K371-D375 WeakPolarHBondContact CE-OD1 3.24Å; K371-D375 IonicContact NZ-OD1 2.74Å; K371-D375 PolarHBondContact NZ-OD1 3.45Å; K371-Q376 WeakPolarHBondContact CA-O 3.38Å; K371-L377 HydrophobicContact CG-CD2 4.07Å
372	D	90.9	Very high	91.2	Very high	34 Å²	34	74 Å²	74	18%	0.182	37%	0.373	C	S	.	.			trans	-73.7	-179.2	175.6	88.1	-33.3	0	0	0	112.3	K374 D375 Q376 V378	D372-K374 VanDerWaalsContact CG-N 3.32Å; D372-K374 PolarHBondContact O-N 2.91Å; D372-K374 VanDerWaalsContact OD1-C 3.31Å; D372-K374 VanDerWaalsContact OD1-CA 3.31Å; D372-K374 WeakPolarHBondContact OD1-CA 3.23Å; D372-K374 WeakPolarHBondContact OD1-CB 3.35Å; D372-K374 PolarHBondContact OD1-N 3.17Å; D372-D375 PolarHBondContact O-N 3.41Å; D372-D375 VanDerWaalsContact O-N 3.1Å; D372-D375 PolarHBondContact OD1-N 3.32Å; D372-Q376 PolarHBondContact N-O 2.94Å; D372-Q376 WeakPolarHBondContact OD1-CB 3.24Å; D372-Q376 PolarHBondContact OD1-N 3.48Å; D372-V378 HydrophobicContact CB-CG2 3.86Å
373	H	91.6	Very high	91.2	Very high	205 Å²	205	72 Å²	72	95%	0.949	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	0.8	176.4	-57.5	-56.5	0	0	0	114.7
374	K	92.9	Very high	91.1	Very high	157 Å²	157	77.1 Å²	77.1	68%	0.683	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	14.9	176.3	-55	168.5	-173.5	161.3	0	111.8	D372 Q376	D372-K374 VanDerWaalsContact CG-N 3.32Å; D372-K374 PolarHBondContact O-N 2.91Å; D372-K374 VanDerWaalsContact OD1-C 3.31Å; D372-K374 VanDerWaalsContact OD1-CA 3.31Å; D372-K374 WeakPolarHBondContact OD1-CA 3.23Å; D372-K374 WeakPolarHBondContact OD1-CB 3.35Å; D372-K374 PolarHBondContact OD1-N 3.17Å; K374-Q376 HydrophobicContact CB-CG 4.1Å; K374-Q376 PolarHBondContact O-N 2.87Å
375	D	90.1	Very high	91	Very high	115 Å²	115	74.9 Å²	74.9	62%	0.615	38%	0.378	S	S	*	.	S	Bend	trans	63	10.8	-175.6	-102.8	-60.2	0	0	0	115	K371 D372	K371-D375 WeakPolarHBondContact CD-OD1 3.22Å; K371-D375 WeakPolarHBondContact CE-O 3.16Å; K371-D375 WeakPolarHBondContact CE-OD1 3.24Å; K371-D375 IonicContact NZ-OD1 2.74Å; K371-D375 PolarHBondContact NZ-OD1 3.45Å; D372-D375 PolarHBondContact O-N 3.41Å; D372-D375 VanDerWaalsContact O-N 3.1Å; D372-D375 PolarHBondContact OD1-N 3.32Å
376	Q	92.3	Very high	90.7	Very high	121 Å²	121	74.6 Å²	74.6	57%	0.565	38%	0.376	S	S	*	.			trans	-83.7	142.6	-178.8	-57.4	-171.1	5.2	0	0	110.9	K371 D372 K374 V378	K371-Q376 WeakPolarHBondContact CA-O 3.38Å; D372-Q376 PolarHBondContact N-O 2.94Å; D372-Q376 WeakPolarHBondContact OD1-CB 3.24Å; D372-Q376 PolarHBondContact OD1-N 3.48Å; K374-Q376 HydrophobicContact CB-CG 4.1Å; K374-Q376 PolarHBondContact O-N 2.87Å; Q376-V378 PolarHBondContact O-N 2.75Å
377	L	92.5	Very high	90.9	Very high	118 Å²	118	76.3 Å²	76.3	62%	0.618	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	111.4	175	-73.9	173.9	0	0	0	109.7	I307 L369 Y370 K371	I307-L377 HydrophobicContact CD1-CD2 3.65Å; L369-L377 HydrophobicContact CD1-CB 4.32Å; L369-L377 HydrophobicContact CD1-CD2 4.47Å; Y370-L377 WeakPolarHBondContact O-CA 3.23Å; K371-L377 HydrophobicContact CG-CD2 4.07Å
378	V	94	Very high	90.7	Very high	46 Å²	46	76.4 Å²	76.4	28%	0.279	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.2	-179.1	176.4	0	0	0	0	109.6	L369 Y370 D372 Q376	L369-V378 WeakPolarHBondContact CA-O 3.3Å; Y370-V378 WeakPolarHBondContact CD1-O 3.29Å; Y370-V378 HydrophobicContact CE1-CB 4.23Å; Y370-V378 HydrophobicContact CE1-CG1 4.14Å; Y370-V378 PolarHBondContact N-O 2.87Å; Y370-V378 PolarHBondContact O-N 3.17Å; D372-V378 HydrophobicContact CB-CG2 3.86Å; Q376-V378 PolarHBondContact O-N 2.75Å
379	T	92.7	Very high	90.4	Very high	104 Å²	104	78.4 Å²	78.4	64%	0.638	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	121.1	166.7	51.7	0	0	0	0	109.5	I368 L369	I368-T379 CarbonylContact O-C 3.54Å; I368-T379 VanDerWaalsContact O-CA 3.27Å; I368-T379 WeakPolarHBondContact O-CA 3.32Å; L369-T379 HydrophobicContact CD1-CG2 3.74Å
380	E	92.2	Very high	90.2	Very high	78 Å²	78	76.3 Å²	76.3	36%	0.364	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	147.8	177.4	177.9	-177.7	138.8	0	0	110.3	T367 I368 Y370 L382	T367-E380 CarbonylContact C-O 3.56Å; T367-E380 VanDerWaalsContact CA-O 3.28Å; T367-E380 WeakPolarHBondContact CA-O 3.48Å; T367-E380 WeakPolarHBondContact CG2-O 3.4Å; I368-E380 HydrophobicContact CG1-CB 4.24Å; I368-E380 PolarHBondContact N-O 3.32Å; I368-E380 PolarHBondContact O-N 3.29Å; Y370-E380 HydrophobicContact CD1-CB 4.48Å; Y370-E380 HydrophobicContact CE1-CB 3.71Å; Y370-E380 PolarHBondContact OH-OE2 2.7Å; E380-L382 HydrophobicContact CG-CD2 4.48Å; E380-L382 WeakPolarHBondContact OE1-CD2 3.43Å
381	T	91.2	Very high	89.9	Confident	55 Å²	55	74.6 Å²	74.6	34%	0.337	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.3	179.7	30	0	0	0	0	110.3	T145 I146 T367	T145-T381 VanDerWaalsContact C-CG2 3.49Å; T145-T381 WeakPolarHBondContact O-CA 3.38Å; T145-T381 VanDerWaalsContact O-CB 3.26Å; T145-T381 WeakPolarHBondContact O-CB 3.43Å; T145-T381 VanDerWaalsContact O-CG2 3.26Å; T145-T381 WeakPolarHBondContact O-CG2 3.43Å; I146-T381 HydrophobicContact CB-CG2 4.38Å; I146-T381 HydrophobicContact CG2-CG2 4.17Å; T367-T381 HydrophobicContact CG2-CG2 4.18Å; T367-T381 VanDerWaalsContact OG1-CG2 3.25Å; T367-T381 WeakPolarHBondContact OG1-CG2 3.47Å
382	L	88.3	Confident	89.6	Confident	46 Å²	46	69.7 Å²	69.7	24%	0.241	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	107.5	-172.7	-62.3	177.1	0	0	0	112.5	T145 P365 F366 I368 E380 K384 A385	T145-L382 PolarHBondContact O-N 2.74Å; P365-L382 WeakPolarHBondContact CA-O 3.4Å; P365-L382 WeakPolarHBondContact CB-O 3.44Å; F366-L382 PolarHBondContact N-O 3.32Å; F366-L382 WeakPolarHBondContact O-CB 3.31Å; F366-L382 PolarHBondContact O-N 2.96Å; I368-L382 HydrophobicContact CD1-CD1 4.13Å; I368-L382 HydrophobicContact CD1-CD2 4.42Å; I368-L382 HydrophobicContact CD1-CG 4.4Å; I368-L382 HydrophobicContact CG1-CD1 4.28Å; I368-L382 HydrophobicContact CG1-CG 4.34Å; I368-L382 HydrophobicContact CG2-CD1 3.99Å; E380-L382 HydrophobicContact CG-CD2 4.48Å; E380-L382 WeakPolarHBondContact OE1-CD2 3.43Å; L382-K384 VanDerWaalsContact C-N 3.34Å; L382-K384 PolarHBondContact O-N 3.12Å; L382-A385 HydrophobicContact CB-CB 3.97Å; L382-A385 PolarHBondContact O-N 3.43Å
383	P	88.2	Confident	89.2	Confident	51 Å²	51	71.3 Å²	71.3	33%	0.331	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	-19.9	-162.1	12.3	-27.1	0	0	0	119.1	I146 E147	I146-P383 WeakPolarHBondContact O-CA 3.4Å; I146-P383 WeakPolarHBondContact O-CB 3.11Å; I146-P383 WeakPolarHBondContact O-CD 3.41Å; E147-P383 WeakPolarHBondContact O-CB 3.03Å
384	K	90.3	Very high	89.1	Confident	153 Å²	153	64.7 Å²	64.7	67%	0.665	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.2	28.4	-174.8	-58.7	-175	-178.8	168.9	0	113.1	T363 L382	T363-K384 HydrophobicContact CG2-CB 4.2Å; L382-K384 VanDerWaalsContact C-N 3.34Å; L382-K384 PolarHBondContact O-N 3.12Å
385	A	85.5	Confident	88.9	Confident	19 Å²	19	59.8 Å²	59.8	16%	0.157	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	-39	-168.8	0	0	0	0	0	115.4	F366 L382	F366-A385 HydrophobicContact CB-CB 3.61Å; L382-A385 HydrophobicContact CB-CB 3.97Å; L382-A385 PolarHBondContact O-N 3.43Å
386	V	86.9	Confident	88.9	Confident	5 Å²	5	56.7 Å²	56.7	3%	0.03	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	112.7	-172.7	-166.8	0	0	0	0	110.5	T143 P313 T363 I364 F366 T388	T143-V386 HydrophobicContact CG2-CG1 4.45Å; T143-V386 HydrophobicContact CG2-CG2 4.36Å; P313-V386 WeakPolarHBondContact O-CG1 3.45Å; P313-V386 VanDerWaalsContact O-CG2 3.29Å; P313-V386 WeakPolarHBondContact O-CG2 3.47Å; T363-V386 CarbonylContact C-O 3.42Å; T363-V386 VanDerWaalsContact CA-O 3.24Å; T363-V386 WeakPolarHBondContact CA-O 3.2Å; I364-V386 HydrophobicContact CG1-CB 3.97Å; I364-V386 HydrophobicContact CG1-CG1 4.42Å; I364-V386 PolarHBondContact N-O 3.11Å; I364-V386 CarbonylContact O-C 3.53Å; I364-V386 WeakPolarHBondContact O-CA 3.2Å; I364-V386 WeakPolarHBondContact O-CB 3.48Å; I364-V386 PolarHBondContact O-N 2.92Å; I364-V386 VanDerWaalsContact O-O 3.05Å; F366-V386 HydrophobicContact CB-CG2 4.14Å; F366-V386 HydrophobicContact CD2-CG2 3.86Å; F366-V386 HydrophobicContact CG-CG2 4.49Å; V386-T388 PolarHBondContact O-N 2.96Å
387	K	90.8	Very high	88.7	Confident	52 Å²	52	52.9 Å²	52.9	23%	0.226	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	128.3	176.8	-53.9	167.1	-161.4	67.6	0	109.6	L287 I314 N315 A360 T363	L287-K387 HydrophobicContact CD1-CB 3.76Å; L287-K387 WeakPolarHBondContact CD1-O 3.28Å; I314-K387 PolarHBondContact O-N 3.46Å; I314-K387 PolarHBondContact O-NZ 3Å; N315-K387 HydrophobicContact CB-CB 4.15Å; N315-K387 PolarHBondContact ND2-O 3.1Å; N315-K387 PolarHBondContact O-NZ 3.39Å; A360-K387 HydrophobicContact CB-CB 4.23Å; A360-K387 HydrophobicContact CB-CD 4.09Å; A360-K387 HydrophobicContact CB-CG 3.82Å; T363-K387 HydrophobicContact CG2-CG 4.27Å
388	T	86	Confident	88.4	Confident	50 Å²	50	48.9 Å²	48.9	31%	0.307	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-26.8	-179	46.7	0	0	0	0	113.8	L287 E362 I364 V386	L287-T388 WeakPolarHBondContact CD2-O 3.45Å; E362-T388 WeakPolarHBondContact CB-OG1 3.46Å; E362-T388 PolarHBondContact O-N 2.94Å; E362-T388 PolarHBondContact O-OG1 3.37Å; I364-T388 HydrophobicContact CB-CG2 4.26Å; I364-T388 HydrophobicContact CD1-CG2 3.47Å; I364-T388 VanDerWaalsContact CD1-CG2 3.47Å; I364-T388 HydrophobicContact CG1-CG2 3.53Å; I364-T388 HydrophobicContact CG2-CG2 4Å; V386-T388 PolarHBondContact O-N 2.96Å
389	N	87	Confident	88.1	Confident	46 Å²	46	49.1 Å²	49.1	25%	0.246	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	147.8	174	-167.7	5.7	0	0	0	110.2	A360 N361 E362	A360-N389 WeakPolarHBondContact CA-O 3.05Å; N361-N389 HydrophobicContact CB-CB 4.27Å; N361-N389 PolarHBondContact N-O 2.79Å; E362-N389 HydrophobicContact CB-CB 3.85Å; E362-N389 HydrophobicContact CG-CB 4Å; E362-N389 PolarHBondContact N-O 2.69Å; E362-N389 PolarHBondContact O-N 3.36Å; E362-N389 VanDerWaalsContact OE1-CB 3.28Å; E362-N389 WeakPolarHBondContact OE1-CB 3.44Å; E362-N389 PolarHBondContact OE1-ND2 2.9Å
390	C	87.2	Confident	87.7	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.007	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.4	175.8	-60.4	0	0	0	0	109.7	L287 C317 A359	L287-C390 WeakPolarHBondContact CA-SG 3.32Å; L287-C390 HydrophobicContact CB-CB 4.42Å; L287-C390 VanDerWaalsContact CB-SG 3.59Å; L287-C390 WeakPolarHBondContact CD1-SG 3.42Å; C317-C390 WeakPolarHBondContact CA-SG 3.42Å; C317-C390 HydrophobicContact CB-CB 3.71Å; C317-C390 WeakPolarHBondContact CB-SG 3.47Å; C317-C390 WeakPolarHBondContact SG-CB 3.28Å; C317-C390 CovalentContact SG-SG 2.03Å; C317-C390 PolarHBondContact SG-SG 3.33Å; A359-C390 CarbonylContact O-C 3.53Å; A359-C390 WeakPolarHBondContact O-CA 3.2Å
391	A	86.8	Confident	87.4	Confident	8 Å²	8	42.6 Å²	42.6	7%	0.066	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	167.5	177.8	0	0	0	0	0	110.8	C285 P327 A359 N361	C285-A391 VanDerWaalsContact SG-C 3.59Å; C285-A391 PolarHBondContact SG-O 3.39Å; C285-A391 VanDerWaalsContact SG-O 3.32Å; P327-A391 CarbonylContact O-C 3.58Å; P327-A391 WeakPolarHBondContact O-CA 3.34Å; P327-A391 VanDerWaalsContact O-CB 3.27Å; P327-A391 WeakPolarHBondContact O-CB 3.45Å; A359-A391 PolarHBondContact N-O 2.97Å; A359-A391 PolarHBondContact O-N 3.06Å; N361-A391 HydrophobicContact CB-CB 3.6Å
392	C	84.8	Confident	87.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	108.7	168.5	-68.6	0	0	0	0	110.4	C285 C321 M326 P327 T328 S333 C357	C285-C392 WeakPolarHBondContact CB-SG 3.28Å; C321-C392 WeakPolarHBondContact CA-SG 3.15Å; C321-C392 HydrophobicContact CB-CB 3.54Å; C321-C392 WeakPolarHBondContact CB-SG 3.49Å; C321-C392 WeakPolarHBondContact SG-CA 3.36Å; C321-C392 WeakPolarHBondContact SG-CB 3.38Å; C321-C392 CovalentContact SG-SG 2.03Å; C321-C392 PolarHBondContact SG-SG 3.43Å; M326-C392 HydrophobicContact CE-CB 3.45Å; M326-C392 VanDerWaalsContact CE-CB 3.45Å; M326-C392 HydrophobicContact CG-CB 3.41Å; M326-C392 VanDerWaalsContact CG-CB 3.41Å; M326-C392 HydrophobicContact SD-CB 4.3Å; P327-C392 PolarHBondContact O-N 3.31Å; T328-C392 WeakPolarHBondContact CB-O 3.28Å; T328-C392 PolarHBondContact OG1-O 2.97Å; S333-C392 WeakPolarHBondContact CB-O 3.09Å; S333-C392 PolarHBondContact OG-O 3.23Å; C357-C392 WeakPolarHBondContact O-CA 3.48Å
393	S	83.2	Confident	87	Confident	68 Å²	68	41.2 Å²	41.2	48%	0.476	23%	0.228	S	C	.	.			trans	-96.2	0	171.6	59.3	0	0	0	0	109.7	S333 P356 C357 A359	S333-S393 VanDerWaalsContact CB-OXT 3.23Å; S333-S393 WeakPolarHBondContact CB-OXT 3.17Å; S333-S393 WeakPolarHBondContact OG-CA 3.35Å; S333-S393 PolarHBondContact OG-OXT 2.87Å; P356-S393 CarbonylContact C-O 3.14Å; P356-S393 VanDerWaalsContact CA-O 3.22Å; P356-S393 WeakPolarHBondContact CA-O 3.3Å; C357-S393 PolarHBondContact N-O 3.08Å; C357-S393 PolarHBondContact O-N 3.07Å; C357-S393 VanDerWaalsContact O-N 3.11Å; A359-S393 WeakPolarHBondContact CB-OG 3.28Å

Retrieved 393 of 393 residues in 99.6 ms (Link to these results)

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