YD57W_YEAST Loading...

Uncharacterized protein YDR157W

AlphaFold DB , UniProt , Accession A0A023PZE8, Species YEAST (Saccharomyces cerevisiae (strain ATCC 204508 / S288c), Baker's yeast), Gene n/a, Length 133 aa.

						>YD57W_YEAST|A0A023PZE8
MSETCSSSLALLHKILHIHSHTPSVYYNICISVRILTSERLQCFFFSFFPDPNITGSGLKVPGFLFFHTFFFSKSCCQALIDSFSSDYYQFKMLEKNRKAEKINKRTIFICSFTFEYKIKSCFSCFHLSTHTN
					

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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	39.5	Very low	52.5	Low	229 Å²	229	88.5 Å²	88.5	100%	1.128	52%	0.52	S	S	*	.				0	38.4	0	-65.3	-179.6	74.2	0	0	112.2
2	S	39.4	Very low	53.1	Low	106 Å²	106	81.3 Å²	81.3	74%	0.741	48%	0.477	S	S	*	.			trans	-90	-12.6	-173.5	42.7	0	0	0	0	115.1	T4	S2-T4 PolarHBondContact O-N 2.91Å
3	E	44.7	Very low	53.2	Low	164 Å²	164	80.5 Å²	80.5	77%	0.766	47%	0.466	S	S	*	.	H	α-helix	trans	-77.6	-16.2	-171.7	-72.5	178.6	153.4	0	0	115.3	C5 S7	E3-C5 VanDerWaalsContact C-N 3.29Å; E3-C5 PolarHBondContact O-N 3.47Å; E3-S7 PolarHBondContact O-OG 3.28Å
4	T	53.9	Low	53.3	Low	93 Å²	93	84.4 Å²	84.4	57%	0.571	48%	0.475	S	S	*	.	H	α-helix	trans	-75.5	-19.3	-175.5	47.7	0	0	0	0	113.5	S2 S7 S8	S2-T4 PolarHBondContact O-N 2.91Å; T4-S7 WeakPolarHBondContact CA-OG 3.02Å; T4-S7 PolarHBondContact O-OG 2.75Å; T4-S8 VanDerWaalsContact O-CB 3.26Å; T4-S8 WeakPolarHBondContact O-CB 3.37Å; T4-S8 PolarHBondContact O-N 3.45Å; T4-S8 PolarHBondContact O-OG 3.06Å
5	C	53.5	Low	53.2	Low	32 Å²	32	80.3 Å²	80.3	22%	0.216	45%	0.451	C	S	.	.	H	α-helix	trans	-73.4	-57.8	-176.8	-162.5	0	0	0	0	112.3	E3 S7 S8 L9 C76	E3-C5 VanDerWaalsContact C-N 3.29Å; E3-C5 PolarHBondContact O-N 3.47Å; C5-S7 VanDerWaalsContact C-N 3.29Å; C5-S7 PolarHBondContact O-N 3.33Å; C5-S8 PolarHBondContact O-N 3.39Å; C5-L9 VanDerWaalsContact O-CB 3.28Å; C5-L9 WeakPolarHBondContact O-CB 3.26Å; C5-L9 PolarHBondContact O-N 3.44Å; C5-C76 WeakPolarHBondContact CA-SG 3.27Å; C5-C76 HydrophobicContact CB-CB 4.3Å; C5-C76 WeakPolarHBondContact CB-SG 3.46Å; C5-C76 WeakPolarHBondContact SG-CA 3.16Å; C5-C76 WeakPolarHBondContact SG-CB 3.11Å; C5-C76 CovalentContact SG-SG 1.99Å; C5-C76 PolarHBondContact SG-SG 2.75Å
6	S	57.6	Low	53.1	Low	86 Å²	86	76.9 Å²	76.9	60%	0.601	43%	0.431	S	S	*	.	H	α-helix	trans	-65.5	-36.5	-174.9	70.5	0	0	0	0	111.2	A10	S6-A10 WeakPolarHBondContact O-CB 3.37Å; S6-A10 PolarHBondContact O-N 3.18Å
7	S	61	Low	52.6	Low	65 Å²	65	79.4 Å²	79.4	46%	0.455	44%	0.438	S	S	.	.	H	α-helix	trans	-67.2	-44.3	177.9	44.5	0	0	0	0	112.1	E3 T4 C5 L11	E3-S7 PolarHBondContact O-OG 3.28Å; T4-S7 WeakPolarHBondContact CA-OG 3.02Å; T4-S7 PolarHBondContact O-OG 2.75Å; C5-S7 VanDerWaalsContact C-N 3.29Å; C5-S7 PolarHBondContact O-N 3.33Å; S7-L11 VanDerWaalsContact O-CB 3.3Å; S7-L11 WeakPolarHBondContact O-CB 3.41Å; S7-L11 PolarHBondContact O-N 2.71Å
8	S	56.1	Low	52	Low	26 Å²	26	81 Å²	81	18%	0.182	45%	0.445	C	S	.	.	H	α-helix	trans	-69.2	-36.2	176.9	-58	0	0	0	0	112.2	T4 C5 L11 L12	T4-S8 VanDerWaalsContact O-CB 3.26Å; T4-S8 WeakPolarHBondContact O-CB 3.37Å; T4-S8 PolarHBondContact O-N 3.45Å; T4-S8 PolarHBondContact O-OG 3.06Å; C5-S8 PolarHBondContact O-N 3.39Å; S8-L11 PolarHBondContact O-N 3.16Å; S8-L12 WeakPolarHBondContact O-CB 3.42Å; S8-L12 PolarHBondContact O-N 3.33Å
9	L	55.8	Low	51.5	Low	34 Å²	34	78.7 Å²	78.7	18%	0.178	43%	0.431	C	S	.	.	H	α-helix	trans	-73.3	-39	177.6	-148.2	135.7	0	0	0	111.4	C5 L12 H13 L80	C5-L9 VanDerWaalsContact O-CB 3.28Å; C5-L9 WeakPolarHBondContact O-CB 3.26Å; C5-L9 PolarHBondContact O-N 3.44Å; L9-L12 PolarHBondContact O-N 2.98Å; L9-H13 WeakPolarHBondContact O-CB 3.41Å; L9-H13 PolarHBondContact O-N 2.85Å; L9-L80 HydrophobicContact CD1-CB 3.85Å; L9-L80 HydrophobicContact CD1-CD1 3.87Å; L9-L80 HydrophobicContact CD1-CG 4.14Å; L9-L80 HydrophobicContact CG-CD1 4.06Å; L9-L80 HydrophobicContact CG-CG 4.39Å
10	A	59.7	Low	50.7	Low	52 Å²	52	76.1 Å²	76.1	43%	0.43	42%	0.418	S	S	.	.	H	α-helix	trans	-67	-35.9	171.5	0	0	0	0	0	112	S6 K14	S6-A10 WeakPolarHBondContact O-CB 3.37Å; S6-A10 PolarHBondContact O-N 3.18Å; A10-K14 VanDerWaalsContact O-CB 3.29Å; A10-K14 WeakPolarHBondContact O-CB 3.4Å; A10-K14 WeakPolarHBondContact O-CG 3.44Å; A10-K14 PolarHBondContact O-N 2.9Å
11	L	56.3	Low	50	Low	86 Å²	86	78.8 Å²	78.8	45%	0.45	43%	0.427	S	S	.	.	H	α-helix	trans	-66.8	-41.6	172.7	-164.2	80	0	0	0	110.6	S7 S8 K14 I15 F70	S7-L11 VanDerWaalsContact O-CB 3.3Å; S7-L11 WeakPolarHBondContact O-CB 3.41Å; S7-L11 PolarHBondContact O-N 2.71Å; S8-L11 PolarHBondContact O-N 3.16Å; L11-K14 CarbonylContact O-C 3.55Å; L11-K14 WeakPolarHBondContact O-CB 3.39Å; L11-K14 PolarHBondContact O-N 2.86Å; L11-I15 HydrophobicContact CD2-CD1 4.46Å; L11-I15 HydrophobicContact CG-CD1 4.31Å; L11-I15 VanDerWaalsContact O-CG1 3.28Å; L11-I15 WeakPolarHBondContact O-CG1 3.45Å; L11-I15 PolarHBondContact O-N 2.76Å; L11-F70 HydrophobicContact CD2-CE1 3.69Å; L11-F70 HydrophobicContact CD2-CZ 3.98Å
12	L	59.7	Low	49.9	Very low	2 Å²	2	71.3 Å²	71.3	1%	0.01	40%	0.395	C	S	.	.	H	α-helix	trans	-64.3	-46.6	175.9	-168	78	0	0	0	111.7	S8 L9 K14 I15 L16 F45 F70 L80 F84	S8-L12 WeakPolarHBondContact O-CB 3.42Å; S8-L12 PolarHBondContact O-N 3.33Å; L9-L12 PolarHBondContact O-N 2.98Å; L12-K14 VanDerWaalsContact C-N 3.28Å; L12-K14 PolarHBondContact O-N 3.03Å; L12-I15 PolarHBondContact O-N 2.77Å; L12-L16 HydrophobicContact CG-CD1 4.26Å; L12-L16 VanDerWaalsContact O-CG 3.26Å; L12-L16 WeakPolarHBondContact O-CG 3.32Å; L12-L16 PolarHBondContact O-N 2.79Å; L12-F45 HydrophobicContact CD1-CD1 3.44Å; L12-F45 VanDerWaalsContact CD1-CD1 3.44Å; L12-F45 HydrophobicContact CD1-CD2 3.79Å; L12-F45 HydrophobicContact CD1-CE1 3.33Å; L12-F45 HydrophobicContact CD1-CE2 3.7Å; L12-F45 HydrophobicContact CD1-CG 3.66Å; L12-F45 HydrophobicContact CD1-CZ 3.48Å; L12-F45 VanDerWaalsContact CD1-CZ 3.48Å; L12-F45 HydrophobicContact CD2-CD1 4.28Å; L12-F45 HydrophobicContact CD2-CE1 3.36Å; L12-F45 HydrophobicContact CD2-CE2 4.3Å; L12-F45 HydrophobicContact CD2-CZ 3.38Å; L12-F45 HydrophobicContact CG-CD1 4.38Å; L12-F45 HydrophobicContact CG-CE1 3.9Å; L12-F45 HydrophobicContact CG-CZ 4.07Å; L12-F70 HydrophobicContact CD1-CD2 4.22Å; L12-F70 HydrophobicContact CD1-CE2 3.74Å; L12-L80 HydrophobicContact CD2-CD1 3.77Å; L12-L80 HydrophobicContact CD2-CD2 3.83Å; L12-L80 HydrophobicContact CD2-CG 3.89Å; L12-F84 HydrophobicContact CD2-CE2 3.61Å; L12-F84 HydrophobicContact CD2-CZ 3.62Å; L12-F84 HydrophobicContact CG-CZ 4.44Å
13	H	54.7	Low	49.6	Very low	71 Å²	71	70.3 Å²	70.3	33%	0.329	39%	0.386	S	S	.	.	H	α-helix	trans	-57.2	-43.1	171	-96.6	-108.3	0	0	0	110.9	L9 L16 H17	L9-H13 WeakPolarHBondContact O-CB 3.41Å; L9-H13 PolarHBondContact O-N 2.85Å; H13-L16 PolarHBondContact O-N 2.84Å; H13-H17 WeakPolarHBondContact O-CB 3.3Å; H13-H17 PolarHBondContact O-N 2.78Å
14	K	54.4	Low	49.2	Very low	136 Å²	136	66.8 Å²	66.8	59%	0.591	38%	0.379	S	S	*	.	H	α-helix	trans	-61.2	-45.5	175	-91.2	-176	175.5	-179.2	0	111.9	A10 L11 L12 L16 H17 I18	A10-K14 VanDerWaalsContact O-CB 3.29Å; A10-K14 WeakPolarHBondContact O-CB 3.4Å; A10-K14 WeakPolarHBondContact O-CG 3.44Å; A10-K14 PolarHBondContact O-N 2.9Å; L11-K14 CarbonylContact O-C 3.55Å; L11-K14 WeakPolarHBondContact O-CB 3.39Å; L11-K14 PolarHBondContact O-N 2.86Å; L12-K14 VanDerWaalsContact C-N 3.28Å; L12-K14 PolarHBondContact O-N 3.03Å; K14-L16 VanDerWaalsContact C-N 3.3Å; K14-L16 PolarHBondContact O-N 3.39Å; K14-H17 PolarHBondContact O-N 3.28Å; K14-I18 HydrophobicContact CB-CD1 4.25Å; K14-I18 WeakPolarHBondContact O-CB 3.06Å; K14-I18 VanDerWaalsContact O-CD1 3.32Å; K14-I18 WeakPolarHBondContact O-CD1 2.81Å; K14-I18 WeakPolarHBondContact O-CG1 3.28Å; K14-I18 PolarHBondContact O-N 3.33Å
15	I	51.6	Low	48.5	Very low	22 Å²	22	62.9 Å²	62.9	11%	0.113	36%	0.355	C	S	.	.	H	α-helix	trans	-56.9	-50.7	176.8	-70.5	161.9	0	0	0	108.5	L11 L12 H17 H19 F70	L11-I15 HydrophobicContact CD2-CD1 4.46Å; L11-I15 HydrophobicContact CG-CD1 4.31Å; L11-I15 VanDerWaalsContact O-CG1 3.28Å; L11-I15 WeakPolarHBondContact O-CG1 3.45Å; L11-I15 PolarHBondContact O-N 2.76Å; L12-I15 PolarHBondContact O-N 2.77Å; I15-H17 VanDerWaalsContact C-N 3.33Å; I15-H17 PolarHBondContact O-N 2.94Å; I15-H19 PolarHBondContact O-CD2 1.99Å; I15-H19 VanDerWaalsContact O-CG 3.3Å; I15-H19 PolarHBondContact O-N 3.38Å; I15-F70 HydrophobicContact CD1-CE2 4.36Å; I15-F70 HydrophobicContact CD1-CZ 3.85Å
16	L	51.3	Low	48	Very low	26 Å²	26	66.4 Å²	66.4	14%	0.136	37%	0.365	C	S	.	.	H	α-helix	trans	-63.2	-36.3	178.5	-65.7	168.5	0	0	0	113.9	L12 H13 K14 S20 I29 F84	L12-L16 HydrophobicContact CG-CD1 4.26Å; L12-L16 VanDerWaalsContact O-CG 3.26Å; L12-L16 WeakPolarHBondContact O-CG 3.32Å; L12-L16 PolarHBondContact O-N 2.79Å; H13-L16 PolarHBondContact O-N 2.84Å; K14-L16 VanDerWaalsContact C-N 3.3Å; K14-L16 PolarHBondContact O-N 3.39Å; L16-S20 PolarHBondContact O-N 3.12Å; L16-I29 HydrophobicContact CD2-CD1 3.2Å; L16-I29 HydrophobicContact CD2-CG1 3.82Å; L16-I29 HydrophobicContact CD2-CG2 4.41Å; L16-F84 HydrophobicContact CD1-CE1 3.25Å; L16-F84 HydrophobicContact CD1-CZ 3.23Å
17	H	45.8	Very low	47.4	Very low	119 Å²	119	62.9 Å²	62.9	55%	0.551	34%	0.338	S	S	*	.	H	α-helix	trans	-81.7	-35.8	-177.1	-153.8	-63.6	0	0	0	112.5	H13 K14 I15 H19 S20 H21	H13-H17 WeakPolarHBondContact O-CB 3.3Å; H13-H17 PolarHBondContact O-N 2.78Å; K14-H17 PolarHBondContact O-N 3.28Å; I15-H17 VanDerWaalsContact C-N 3.33Å; I15-H17 PolarHBondContact O-N 2.94Å; H17-H19 PolarHBondContact O-N 2.78Å; H17-S20 VanDerWaalsContact O-CB 3.31Å; H17-S20 WeakPolarHBondContact O-CB 3.39Å; H17-S20 PolarHBondContact O-N 2.78Å; H17-S20 PolarHBondContact O-OG 3.07Å; H17-H21 AromaticContact CE1-NE2 3.92Å; H17-H21 AromaticContact ND1-NE2 3.69Å; H17-H21 PolarHBondContact O-CD2 3.27Å
18	I	41.6	Very low	46.6	Very low	109 Å²	109	63.4 Å²	63.4	56%	0.559	34%	0.336	S	S	*	.	H	α-helix	trans	-58	-41.4	172.4	-73.1	162.9	0	0	0	108.9	K14 S20	K14-I18 HydrophobicContact CB-CD1 4.25Å; K14-I18 WeakPolarHBondContact O-CB 3.06Å; K14-I18 VanDerWaalsContact O-CD1 3.32Å; K14-I18 WeakPolarHBondContact O-CD1 2.81Å; K14-I18 WeakPolarHBondContact O-CG1 3.28Å; K14-I18 PolarHBondContact O-N 3.33Å; I18-S20 VanDerWaalsContact C-N 3.27Å; I18-S20 PolarHBondContact O-N 2.84Å
19	H	42.3	Very low	46.4	Very low	38 Å²	38	62.5 Å²	62.5	18%	0.176	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-76.5	-10.9	178.7	-60.8	-49.7	0	0	0	113.6	I15 H17 H21 Y27 F49	I15-H19 PolarHBondContact O-CD2 1.99Å; I15-H19 VanDerWaalsContact O-CG 3.3Å; I15-H19 PolarHBondContact O-N 3.38Å; H17-H19 PolarHBondContact O-N 2.78Å; H19-H21 PolarHBondContact O-N 3.03Å; H19-Y27 HydrophobicContact CB-CE1 4.33Å; H19-Y27 WeakPolarHBondContact O-CE2 3.41Å; H19-Y27 PolarHBondContact O-OH 2.71Å; H19-F49 HydrophobicContact CB-CE1 3.78Å; H19-F49 HydrophobicContact CB-CZ 3.89Å; H19-F49 AromaticContact CD2-CZ 3.35Å; H19-F49 WeakPolarHBondContact CD2-CZ 3.46Å; H19-F49 AromaticContact CE1-CE1 3.7Å; H19-F49 AromaticContact CE1-CZ 3.32Å; H19-F49 WeakPolarHBondContact CE1-CZ 3.43Å; H19-F49 AromaticContact CG-CE1 3.42Å; H19-F49 VanDerWaalsContact CG-CE1 3.42Å; H19-F49 AromaticContact CG-CZ 3.22Å; H19-F49 AromaticContact ND1-CE1 3.18Å; H19-F49 WeakPolarHBondContact ND1-CE1 3.28Å; H19-F49 AromaticContact ND1-CZ 3.21Å; H19-F49 WeakPolarHBondContact ND1-CZ 3.3Å; H19-F49 AromaticContact NE2-CZ 3.43Å; H19-F49 WeakPolarHBondContact NE2-CZ 3.47Å
20	S	35.7	Very low	46.1	Very low	25 Å²	25	62.2 Å²	62.2	18%	0.175	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-70.5	-18.8	175	78.3	0	0	0	0	113.9	L16 H17 I18 R106	L16-S20 PolarHBondContact O-N 3.12Å; H17-S20 VanDerWaalsContact O-CB 3.31Å; H17-S20 WeakPolarHBondContact O-CB 3.39Å; H17-S20 PolarHBondContact O-N 2.78Å; H17-S20 PolarHBondContact O-OG 3.07Å; I18-S20 VanDerWaalsContact C-N 3.27Å; I18-S20 PolarHBondContact O-N 2.84Å; S20-R106 VanDerWaalsContact O-CZ 3.28Å; S20-R106 PolarHBondContact O-NE 2.92Å; S20-R106 PolarHBondContact O-NH2 3.32Å
21	H	35.6	Very low	45.9	Very low	133 Å²	133	60.2 Å²	60.2	62%	0.616	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-87.1	-9	-171.5	-71.4	-72.3	0	0	0	115.2	H17 H19 P23	H17-H21 AromaticContact CE1-NE2 3.92Å; H17-H21 AromaticContact ND1-NE2 3.69Å; H17-H21 PolarHBondContact O-CD2 3.27Å; H19-H21 PolarHBondContact O-N 3.03Å; H21-P23 WeakPolarHBondContact O-CD 2.96Å
22	T	37.1	Very low	45.6	Very low	72 Å²	72	56.8 Å²	56.8	44%	0.442	30%	0.295	S	S	.	.	S	Bend	trans	-90.7	108.1	170.2	13.6	0	0	0	0	110	Y27	T22-Y27 WeakPolarHBondContact CB-OH 3.42Å; T22-Y27 PolarHBondContact O-OH 2.81Å; T22-Y27 VanDerWaalsContact O-OH 3.09Å; T22-Y27 PolarHBondContact OG1-OH 3.11Å
23	P	33.4	Very low	45.2	Very low	86 Å²	86	57.5 Å²	57.5	56%	0.558	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	138.5	173.1	-5	22.4	0	0	0	108.3	H21	H21-P23 WeakPolarHBondContact O-CD 2.96Å
24	S	36.2	Very low	45	Very low	89 Å²	89	59.5 Å²	59.5	62%	0.622	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.1	5.1	172.6	-34.8	0	0	0	0	118.5
25	V	38.9	Very low	45	Very low	11 Å²	11	56.5 Å²	56.5	7%	0.067	29%	0.294	C	S	.	.			trans	-106.9	120	179	-172.7	0	0	0	0	110	Y27 F49 P50 P52	V25-Y27 HydrophobicContact CB-CD1 4.37Å; V25-Y27 HydrophobicContact CB-CE1 3.5Å; V25-Y27 WeakPolarHBondContact CB-OH 3.22Å; V25-Y27 HydrophobicContact CG1-CD1 3.89Å; V25-Y27 HydrophobicContact CG1-CE1 3.35Å; V25-Y27 WeakPolarHBondContact O-CD2 3.36Å; V25-Y27 WeakPolarHBondContact O-CE2 3.27Å; V25-Y27 PolarHBondContact O-N 3.46Å; V25-F49 HydrophobicContact CG1-CB 4.29Å; V25-F49 HydrophobicContact CG1-CD1 4.12Å; V25-P50 HydrophobicContact CG1-CG 3.9Å; V25-P52 HydrophobicContact CG2-CG 4.34Å
26	Y	42.5	Very low	44.8	Very low	106 Å²	106	59 Å²	59	42%	0.416	31%	0.306	S	S	.	.			trans	-73.8	120.9	171.6	-73.9	-94.4	0	0	0	108.9	P50 K105	Y26-P50 WeakPolarHBondContact O-CD 3.2Å; Y26-K105 HydrophobicContact CE1-CD 4.22Å; Y26-K105 WeakPolarHBondContact OH-CD 3.44Å; Y26-K105 PolarHBondContact OH-NZ 3.12Å
27	Y	44.8	Very low	44.9	Very low	13 Å²	13	61.1 Å²	61.1	5%	0.051	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	116.8	178	-46.5	-67.5	0	0	0	109.6	H19 T22 V25 F49 F109	H19-Y27 HydrophobicContact CB-CE1 4.33Å; H19-Y27 WeakPolarHBondContact O-CE2 3.41Å; H19-Y27 PolarHBondContact O-OH 2.71Å; T22-Y27 WeakPolarHBondContact CB-OH 3.42Å; T22-Y27 PolarHBondContact O-OH 2.81Å; T22-Y27 VanDerWaalsContact O-OH 3.09Å; T22-Y27 PolarHBondContact OG1-OH 3.11Å; V25-Y27 HydrophobicContact CB-CD1 4.37Å; V25-Y27 HydrophobicContact CB-CE1 3.5Å; V25-Y27 WeakPolarHBondContact CB-OH 3.22Å; V25-Y27 HydrophobicContact CG1-CD1 3.89Å; V25-Y27 HydrophobicContact CG1-CE1 3.35Å; V25-Y27 WeakPolarHBondContact O-CD2 3.36Å; V25-Y27 WeakPolarHBondContact O-CE2 3.27Å; V25-Y27 PolarHBondContact O-N 3.46Å; Y27-F49 AromaticContact CD1-CD1 3.66Å; Y27-F49 HydrophobicContact CD1-CD1 3.66Å; Y27-F49 AromaticContact CD1-CE1 3.32Å; Y27-F49 HydrophobicContact CD1-CE1 3.32Å; Y27-F49 HydrophobicContact CD1-CG 4.4Å; Y27-F49 AromaticContact CD1-CZ 3.83Å; Y27-F49 HydrophobicContact CD1-CZ 3.83Å; Y27-F49 AromaticContact CE1-CD1 3.34Å; Y27-F49 HydrophobicContact CE1-CD1 3.34Å; Y27-F49 AromaticContact CE1-CE1 3.1Å; Y27-F49 HydrophobicContact CE1-CE1 3.1Å; Y27-F49 HydrophobicContact CE1-CG 4.41Å; Y27-F49 HydrophobicContact CE1-CZ 4.05Å; Y27-F109 PolarHBondContact O-N 2.81Å
28	N	46.1	Very low	45.5	Very low	75 Å²	75	60.3 Å²	60.3	40%	0.401	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	112.8	162.5	-76.5	-33.5	0	0	0	107.7	S47 F48 F109	N28-S47 WeakPolarHBondContact O-CA 3.31Å; N28-F48 PolarHBondContact O-N 3.45Å; N28-F109 WeakPolarHBondContact OD1-CB 3.48Å; N28-F109 WeakPolarHBondContact OD1-CD2 3.38Å; N28-F109 WeakPolarHBondContact OD1-CG 3Å
29	I	50.2	Low	46.2	Very low	8 Å²	8	62 Å²	62	4%	0.041	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	104	169.8	-66.9	128.5	0	0	0	108.7	L16 I31 F45 F46 I108 F109 I110 C111	L16-I29 HydrophobicContact CD2-CD1 3.2Å; L16-I29 HydrophobicContact CD2-CG1 3.82Å; L16-I29 HydrophobicContact CD2-CG2 4.41Å; I29-I31 HydrophobicContact CG2-CG1 4.03Å; I29-F45 HydrophobicContact CG2-CD1 4.13Å; I29-F46 CarbonylContact C-O 3.44Å; I29-F46 WeakPolarHBondContact CA-O 3.38Å; I29-I108 HydrophobicContact CD1-CG2 3.76Å; I29-F109 CarbonylContact C-O 3.56Å; I29-F109 WeakPolarHBondContact CA-O 3.44Å; I29-F109 WeakPolarHBondContact CB-O 3.45Å; I29-F109 PolarHBondContact N-O 2.85Å; I29-I110 WeakPolarHBondContact O-CA 3.34Å; I29-C111 PolarHBondContact O-N 3.5Å
30	C	50.2	Low	46.5	Very low	27 Å²	27	67 Å²	67	18%	0.182	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	130.3	169	-72.4	0	0	0	0	108.7	F45 F46 F113	C30-F45 CarbonylContact O-C 3.4Å; C30-F45 VanDerWaalsContact O-CA 3.28Å; C30-F45 WeakPolarHBondContact O-CA 3.26Å; C30-F46 HydrophobicContact CB-CB 4.06Å; C30-F46 HydrophobicContact CB-CD2 3.73Å; C30-F46 HydrophobicContact CB-CG 4.29Å; C30-F46 PolarHBondContact N-O 3.3Å; C30-F46 WeakPolarHBondContact O-CD2 3.31Å; C30-F46 PolarHBondContact O-N 2.98Å; C30-F113 HydrophobicContact CB-CD2 4.47Å; C30-F113 HydrophobicContact CB-CE2 3.75Å
31	I	55.8	Low	47.5	Very low	10 Å²	10	66.7 Å²	66.7	5%	0.051	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	107.3	174.5	-49.3	-179.9	0	0	0	107.4	I29 V33 F44 F45 F84 I110 C111 S112 F113	I29-I31 HydrophobicContact CG2-CG1 4.03Å; I31-V33 HydrophobicContact CG2-CG2 4.16Å; I31-F44 CarbonylContact C-O 3.53Å; I31-F44 VanDerWaalsContact CA-O 3.22Å; I31-F44 WeakPolarHBondContact CA-O 3.26Å; I31-F45 HydrophobicContact CB-CD1 4.43Å; I31-F45 HydrophobicContact CB-CE1 4.18Å; I31-F45 HydrophobicContact CD1-CD1 4.09Å; I31-F45 HydrophobicContact CD1-CE1 3.42Å; I31-F45 VanDerWaalsContact CD1-CE1 3.42Å; I31-F45 HydrophobicContact CD1-CZ 4.23Å; I31-F45 HydrophobicContact CG1-CD1 3.64Å; I31-F45 HydrophobicContact CG1-CE1 3.44Å; I31-F45 VanDerWaalsContact CG1-CE1 3.44Å; I31-F45 HydrophobicContact CG1-CZ 4.3Å; I31-F45 HydrophobicContact CG2-CD1 4.34Å; I31-F45 HydrophobicContact CG2-CE1 3.79Å; I31-F45 HydrophobicContact CG2-CE2 4.32Å; I31-F45 HydrophobicContact CG2-CZ 3.77Å; I31-F84 HydrophobicContact CD1-CD2 3.89Å; I31-F84 HydrophobicContact CD1-CE2 3.87Å; I31-I110 HydrophobicContact CD1-CG2 3.69Å; I31-I110 HydrophobicContact CG1-CG2 4.28Å; I31-C111 PolarHBondContact N-O 3.19Å; I31-S112 CarbonylContact O-C 3.46Å; I31-S112 WeakPolarHBondContact O-CA 3.32Å; I31-F113 PolarHBondContact O-N 3.41Å
32	S	50.2	Low	48.5	Very low	15 Å²	15	61.6 Å²	61.6	11%	0.105	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.4	170.9	-176.9	0	0	0	0	110.4	C43 F44	S32-C43 CarbonylContact O-C 3.58Å; S32-C43 VanDerWaalsContact O-CA 3.27Å; S32-C43 WeakPolarHBondContact O-CA 3.43Å; S32-F44 PolarHBondContact N-O 3.48Å; S32-F44 WeakPolarHBondContact O-CD2 3.4Å; S32-F44 PolarHBondContact O-N 2.94Å
33	V	50.8	Low	49.6	Very low	17 Å²	17	58.1 Å²	58.1	10%	0.103	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.5	-177.9	-170.8	0	0	0	0	109.4	I31 L41 Q42 F113 F115	I31-V33 HydrophobicContact CG2-CG2 4.16Å; V33-L41 HydrophobicContact CG1-CB 3.95Å; V33-L41 HydrophobicContact CG1-CD1 4.35Å; V33-L41 HydrophobicContact CG1-CD2 3.7Å; V33-L41 HydrophobicContact CG1-CG 4.22Å; V33-Q42 CarbonylContact C-O 3.6Å; V33-Q42 WeakPolarHBondContact CA-O 3.42Å; V33-F113 PolarHBondContact N-O 3.2Å; V33-F115 PolarHBondContact O-N 2.96Å; V33-F115 VanDerWaalsContact O-N 3.11Å
34	R	50.3	Low	50.7	Low	113 Å²	113	55.8 Å²	55.8	43%	0.426	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125	171.8	178.7	-179.1	-176.6	-179.4	3.2	109.7	L36 L41 Q42 F44	R34-L36 HydrophobicContact CG-CD2 4.46Å; R34-L36 PolarHBondContact O-N 2.79Å; R34-L41 CarbonylContact O-C 3.42Å; R34-L41 WeakPolarHBondContact O-CA 3.28Å; R34-Q42 HydrophobicContact CB-CB 4.31Å; R34-Q42 PolarHBondContact N-O 2.94Å; R34-Q42 PolarHBondContact O-N 3.47Å; R34-F44 HydrophobicContact CB-CE2 4.07Å
35	I	53.6	Low	51.9	Low	73 Å²	73	51.8 Å²	51.8	37%	0.374	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	120.3	172.5	-42.7	-168.8	0	0	0	109	T37 L41	I35-T37 VanDerWaalsContact CG2-O 3.27Å; I35-T37 WeakPolarHBondContact CG2-O 3.41Å; I35-L41 HydrophobicContact CB-CD2 3.96Å; I35-L41 HydrophobicContact CD1-CD2 4.31Å; I35-L41 HydrophobicContact CG1-CD2 3.55Å; I35-L41 HydrophobicContact CG2-CD2 4.05Å
36	L	49	Very low	52.8	Low	73 Å²	73	54.3 Å²	54.3	38%	0.382	27%	0.266	S	S	.	.			trans	-93.2	-42.5	176.7	-64.6	176.7	0	0	0	111.3	R34 R40 Q42 F71	R34-L36 HydrophobicContact CG-CD2 4.46Å; R34-L36 PolarHBondContact O-N 2.79Å; L36-R40 HydrophobicContact CB-CB 4.44Å; L36-R40 PolarHBondContact N-O 3.2Å; L36-Q42 HydrophobicContact CD1-CB 4.05Å; L36-Q42 HydrophobicContact CD2-CB 4.46Å; L36-Q42 HydrophobicContact CG-CB 4.13Å; L36-F71 HydrophobicContact CD1-CD1 3.66Å; L36-F71 HydrophobicContact CD1-CE1 3.76Å
37	T	52.8	Low	53.3	Low	71 Å²	71	49.4 Å²	49.4	44%	0.436	25%	0.247	S	C	.	.	S	Bend	trans	-147.3	175	179.2	60.8	0	0	0	0	109.1	I35 E39 R40	I35-T37 VanDerWaalsContact CG2-O 3.27Å; I35-T37 WeakPolarHBondContact CG2-O 3.41Å; T37-E39 PolarHBondContact O-N 3.4Å; T37-E39 PolarHBondContact OG1-N 2.8Å; T37-R40 PolarHBondContact N-O 2.78Å; T37-R40 PolarHBondContact O-N 2.9Å; T37-R40 WeakPolarHBondContact OG1-CB 3.29Å; T37-R40 PolarHBondContact OG1-N 3.32Å
38	S	57.5	Low	53.8	Low	103 Å²	103	52.1 Å²	52.1	72%	0.72	26%	0.259	S	S	*	.	S	Bend	trans	-53.9	-25.6	173.9	49.9	0	0	0	0	113.5
39	E	56.4	Low	54.2	Low	145 Å²	145	49.5 Å²	49.5	68%	0.678	24%	0.244	S	C	*	.	S	Bend	trans	-113	-15.6	-176.1	-59.4	-158.5	165.2	0	0	115	T37 S73 K74	T37-E39 PolarHBondContact O-N 3.4Å; T37-E39 PolarHBondContact OG1-N 2.8Å; E39-S73 CarbonylContact O-C 3.57Å; E39-S73 VanDerWaalsContact O-CA 3.32Å; E39-S73 WeakPolarHBondContact O-CA 3.35Å; E39-K74 PolarHBondContact O-N 3.3Å
40	R	49.2	Very low	54.2	Low	142 Å²	142	50.3 Å²	50.3	54%	0.536	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132.9	-173.8	-59.9	-176.9	72.7	180	3.2	112.9	L36 T37	L36-R40 HydrophobicContact CB-CB 4.44Å; L36-R40 PolarHBondContact N-O 3.2Å; T37-R40 PolarHBondContact N-O 2.78Å; T37-R40 PolarHBondContact O-N 2.9Å; T37-R40 WeakPolarHBondContact OG1-CB 3.29Å; T37-R40 PolarHBondContact OG1-N 3.32Å
41	L	56	Low	54.1	Low	18 Å²	18	51 Å²	51	9%	0.094	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	145.7	176.2	-64.7	161.9	0	0	0	109.3	V33 R34 I35 F71 F72 K74 C77	V33-L41 HydrophobicContact CG1-CB 3.95Å; V33-L41 HydrophobicContact CG1-CD1 4.35Å; V33-L41 HydrophobicContact CG1-CD2 3.7Å; V33-L41 HydrophobicContact CG1-CG 4.22Å; R34-L41 CarbonylContact O-C 3.42Å; R34-L41 WeakPolarHBondContact O-CA 3.28Å; I35-L41 HydrophobicContact CB-CD2 3.96Å; I35-L41 HydrophobicContact CD1-CD2 4.31Å; I35-L41 HydrophobicContact CG1-CD2 3.55Å; I35-L41 HydrophobicContact CG2-CD2 4.05Å; L41-F71 CarbonylContact O-C 3.55Å; L41-F71 WeakPolarHBondContact O-CA 3.34Å; L41-F72 PolarHBondContact N-O 3.34Å; L41-F72 PolarHBondContact O-N 3.22Å; L41-K74 HydrophobicContact CD1-CB 4.46Å; L41-K74 HydrophobicContact CD1-CG 4.14Å; L41-C77 HydrophobicContact CD1-CB 3.31Å
42	Q	57.4	Low	53.8	Low	26 Å²	26	53.8 Å²	53.8	12%	0.121	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.4	169.5	-179.3	179.9	20.9	0	0	107.9	V33 R34 L36 F44 T69 F70 F71	V33-Q42 CarbonylContact C-O 3.6Å; V33-Q42 WeakPolarHBondContact CA-O 3.42Å; R34-Q42 HydrophobicContact CB-CB 4.31Å; R34-Q42 PolarHBondContact N-O 2.94Å; R34-Q42 PolarHBondContact O-N 3.47Å; L36-Q42 HydrophobicContact CD1-CB 4.05Å; L36-Q42 HydrophobicContact CD2-CB 4.46Å; L36-Q42 HydrophobicContact CG-CB 4.13Å; Q42-F44 HydrophobicContact CG-CE1 4.09Å; Q42-F44 HydrophobicContact CG-CE2 4.07Å; Q42-F44 HydrophobicContact CG-CZ 3.72Å; Q42-T69 HydrophobicContact CG-CG2 3.77Å; Q42-F70 CarbonylContact C-O 3.54Å; Q42-F70 WeakPolarHBondContact CA-O 3.31Å; Q42-F71 HydrophobicContact CB-CD1 3.93Å; Q42-F71 HydrophobicContact CB-CE1 3.92Å; Q42-F71 HydrophobicContact CG-CD1 3.96Å; Q42-F71 HydrophobicContact CG-CE1 3.61Å; Q42-F71 HydrophobicContact CG-CZ 4.12Å
43	C	60.7	Low	53.6	Low	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	135.8	178.2	-61.6	0	0	0	0	110.2	S32 F45 T69 F70 F72	S32-C43 CarbonylContact O-C 3.58Å; S32-C43 VanDerWaalsContact O-CA 3.27Å; S32-C43 WeakPolarHBondContact O-CA 3.43Å; C43-F45 HydrophobicContact CB-CD2 4.37Å; C43-F45 HydrophobicContact CB-CE2 3.56Å; C43-F45 HydrophobicContact CB-CZ 4.2Å; C43-T69 WeakPolarHBondContact O-CA 2.88Å; C43-F70 PolarHBondContact N-O 2.72Å; C43-F70 PolarHBondContact O-N 3.27Å; C43-F72 HydrophobicContact CB-CD2 3.88Å; C43-F72 HydrophobicContact CB-CE2 3.93Å
44	F	56.8	Low	53.3	Low	37 Å²	37	63.8 Å²	63.8	16%	0.162	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.6	177.1	-56.9	-76.6	0	0	0	108.6	I31 S32 R34 Q42 F46 F67 H68 T69	I31-F44 CarbonylContact C-O 3.53Å; I31-F44 VanDerWaalsContact CA-O 3.22Å; I31-F44 WeakPolarHBondContact CA-O 3.26Å; S32-F44 PolarHBondContact N-O 3.48Å; S32-F44 WeakPolarHBondContact O-CD2 3.4Å; S32-F44 PolarHBondContact O-N 2.94Å; R34-F44 HydrophobicContact CB-CE2 4.07Å; Q42-F44 HydrophobicContact CG-CE1 4.09Å; Q42-F44 HydrophobicContact CG-CE2 4.07Å; Q42-F44 HydrophobicContact CG-CZ 3.72Å; F44-F46 HydrophobicContact CB-CE2 3.79Å; F44-F46 HydrophobicContact CB-CZ 4.07Å; F44-F67 HydrophobicContact CB-CE2 3.96Å; F44-F67 HydrophobicContact CB-CZ 4.41Å; F44-F67 HydrophobicContact CD1-CE1 4.23Å; F44-F67 AromaticContact CD1-CE2 3.68Å; F44-F67 HydrophobicContact CD1-CE2 3.68Å; F44-F67 AromaticContact CD1-CZ 3.26Å; F44-F67 HydrophobicContact CD1-CZ 3.26Å; F44-F67 AromaticContact CE1-CZ 3.81Å; F44-F67 HydrophobicContact CE1-CZ 3.81Å; F44-F67 HydrophobicContact CG-CE2 4.19Å; F44-F67 HydrophobicContact CG-CZ 4.2Å; F44-H68 CarbonylContact C-O 3.56Å; F44-H68 WeakPolarHBondContact CA-O 3.18Å; F44-T69 HydrophobicContact CD1-CG2 3.99Å; F44-T69 WeakPolarHBondContact CD1-OG1 3.49Å; F44-T69 HydrophobicContact CE1-CG2 3.78Å
45	F	61.3	Low	52.7	Low	4 Å²	4	62.2 Å²	62.2	2%	0.018	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.3	177.1	-66	-98.4	0	0	0	108.5	L12 I29 C30 I31 C43 F67 H68 F70 F72 L80	L12-F45 HydrophobicContact CD1-CD1 3.44Å; L12-F45 VanDerWaalsContact CD1-CD1 3.44Å; L12-F45 HydrophobicContact CD1-CD2 3.79Å; L12-F45 HydrophobicContact CD1-CE1 3.33Å; L12-F45 HydrophobicContact CD1-CE2 3.7Å; L12-F45 HydrophobicContact CD1-CG 3.66Å; L12-F45 HydrophobicContact CD1-CZ 3.48Å; L12-F45 VanDerWaalsContact CD1-CZ 3.48Å; L12-F45 HydrophobicContact CD2-CD1 4.28Å; L12-F45 HydrophobicContact CD2-CE1 3.36Å; L12-F45 HydrophobicContact CD2-CE2 4.3Å; L12-F45 HydrophobicContact CD2-CZ 3.38Å; L12-F45 HydrophobicContact CG-CD1 4.38Å; L12-F45 HydrophobicContact CG-CE1 3.9Å; L12-F45 HydrophobicContact CG-CZ 4.07Å; I29-F45 HydrophobicContact CG2-CD1 4.13Å; C30-F45 CarbonylContact O-C 3.4Å; C30-F45 VanDerWaalsContact O-CA 3.28Å; C30-F45 WeakPolarHBondContact O-CA 3.26Å; I31-F45 HydrophobicContact CB-CD1 4.43Å; I31-F45 HydrophobicContact CB-CE1 4.18Å; I31-F45 HydrophobicContact CD1-CD1 4.09Å; I31-F45 HydrophobicContact CD1-CE1 3.42Å; I31-F45 VanDerWaalsContact CD1-CE1 3.42Å; I31-F45 HydrophobicContact CD1-CZ 4.23Å; I31-F45 HydrophobicContact CG1-CD1 3.64Å; I31-F45 HydrophobicContact CG1-CE1 3.44Å; I31-F45 VanDerWaalsContact CG1-CE1 3.44Å; I31-F45 HydrophobicContact CG1-CZ 4.3Å; I31-F45 HydrophobicContact CG2-CD1 4.34Å; I31-F45 HydrophobicContact CG2-CE1 3.79Å; I31-F45 HydrophobicContact CG2-CE2 4.32Å; I31-F45 HydrophobicContact CG2-CZ 3.77Å; C43-F45 HydrophobicContact CB-CD2 4.37Å; C43-F45 HydrophobicContact CB-CE2 3.56Å; C43-F45 HydrophobicContact CB-CZ 4.2Å; F45-F67 WeakPolarHBondContact O-CA 3.35Å; F45-H68 HydrophobicContact CB-CB 4.26Å; F45-H68 PolarHBondContact N-O 3.37Å; F45-H68 PolarHBondContact O-N 3.38Å; F45-F70 AromaticContact CD2-CD2 3.49Å; F45-F70 HydrophobicContact CD2-CD2 3.49Å; F45-F70 VanDerWaalsContact CD2-CD2 3.49Å; F45-F70 AromaticContact CD2-CE2 3.88Å; F45-F70 HydrophobicContact CD2-CE2 3.88Å; F45-F70 AromaticContact CE2-CD2 3.59Å; F45-F70 HydrophobicContact CE2-CD2 3.59Å; F45-F70 HydrophobicContact CE2-CE2 4.25Å; F45-F72 HydrophobicContact CE2-CE2 4.21Å; F45-L80 HydrophobicContact CE1-CD2 4.47Å; F45-L80 HydrophobicContact CZ-CD2 3.98Å
46	F	57.4	Low	52.2	Low	64 Å²	64	62.8 Å²	62.8	28%	0.281	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.6	172.9	-51.6	-96	0	0	0	107.3	I29 C30 F44 L65 F66 F67	I29-F46 CarbonylContact C-O 3.44Å; I29-F46 WeakPolarHBondContact CA-O 3.38Å; C30-F46 HydrophobicContact CB-CB 4.06Å; C30-F46 HydrophobicContact CB-CD2 3.73Å; C30-F46 HydrophobicContact CB-CG 4.29Å; C30-F46 PolarHBondContact N-O 3.3Å; C30-F46 WeakPolarHBondContact O-CD2 3.31Å; C30-F46 PolarHBondContact O-N 2.98Å; F44-F46 HydrophobicContact CB-CE2 3.79Å; F44-F46 HydrophobicContact CB-CZ 4.07Å; F46-L65 HydrophobicContact CB-CD1 4.26Å; F46-F66 CarbonylContact C-O 3.56Å; F46-F66 VanDerWaalsContact CA-O 3.31Å; F46-F66 WeakPolarHBondContact CA-O 3.21Å; F46-F67 AromaticContact CD1-CD2 3.73Å; F46-F67 HydrophobicContact CD1-CD2 3.73Å; F46-F67 HydrophobicContact CD1-CE2 4.27Å; F46-F67 AromaticContact CE1-CD2 3.38Å; F46-F67 HydrophobicContact CE1-CD2 3.38Å; F46-F67 AromaticContact CE1-CE2 3.49Å; F46-F67 HydrophobicContact CE1-CE2 3.49Å; F46-F67 VanDerWaalsContact CE1-CE2 3.49Å; F46-F67 HydrophobicContact CE2-CE2 4.47Å; F46-F67 AromaticContact CZ-CD2 3.94Å; F46-F67 HydrophobicContact CZ-CD2 3.94Å; F46-F67 AromaticContact CZ-CE2 3.61Å; F46-F67 HydrophobicContact CZ-CE2 3.61Å
47	S	54.1	Low	51.5	Low	3 Å²	3	63 Å²	63	2%	0.021	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.1	175.6	-51.7	0	0	0	0	108.5	N28 F64 L65 F66	N28-S47 WeakPolarHBondContact O-CA 3.31Å; S47-F64 VanDerWaalsContact O-O 3.09Å; S47-L65 CarbonylContact O-C 3.51Å; S47-L65 WeakPolarHBondContact O-CA 3.32Å; S47-F66 PolarHBondContact N-O 2.78Å; S47-F66 PolarHBondContact O-N 2.77Å
48	F	53.4	Low	50.7	Low	70 Å²	70	64.3 Å²	64.3	31%	0.307	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.2	177.5	-174.9	-101	0	0	0	110.8	N28 P50 G63 F64 L65	N28-F48 PolarHBondContact O-N 3.45Å; F48-P50 HydrophobicContact CE1-CB 4.17Å; F48-P50 HydrophobicContact CE1-CG 4.47Å; F48-G63 VanDerWaalsContact CE2-CA 3.44Å; F48-G63 VanDerWaalsContact CZ-CA 3.44Å; F48-F64 CarbonylContact C-O 3.55Å; F48-F64 VanDerWaalsContact CA-O 3.31Å; F48-F64 WeakPolarHBondContact CA-O 3.38Å; F48-L65 HydrophobicContact CB-CD1 4.43Å; F48-L65 HydrophobicContact CD2-CD1 4.48Å
49	F	55.9	Low	49.5	Very low	20 Å²	20	65.8 Å²	65.8	9%	0.088	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	97.3	179.5	-66.9	-98.8	0	0	0	110.1	H19 V25 Y27 D51 G63 F64 F66	H19-F49 HydrophobicContact CB-CE1 3.78Å; H19-F49 HydrophobicContact CB-CZ 3.89Å; H19-F49 AromaticContact CD2-CZ 3.35Å; H19-F49 WeakPolarHBondContact CD2-CZ 3.46Å; H19-F49 AromaticContact CE1-CE1 3.7Å; H19-F49 AromaticContact CE1-CZ 3.32Å; H19-F49 WeakPolarHBondContact CE1-CZ 3.43Å; H19-F49 AromaticContact CG-CE1 3.42Å; H19-F49 VanDerWaalsContact CG-CE1 3.42Å; H19-F49 AromaticContact CG-CZ 3.22Å; H19-F49 AromaticContact ND1-CE1 3.18Å; H19-F49 WeakPolarHBondContact ND1-CE1 3.28Å; H19-F49 AromaticContact ND1-CZ 3.21Å; H19-F49 WeakPolarHBondContact ND1-CZ 3.3Å; H19-F49 AromaticContact NE2-CZ 3.43Å; H19-F49 WeakPolarHBondContact NE2-CZ 3.47Å; V25-F49 HydrophobicContact CG1-CB 4.29Å; V25-F49 HydrophobicContact CG1-CD1 4.12Å; Y27-F49 AromaticContact CD1-CD1 3.66Å; Y27-F49 HydrophobicContact CD1-CD1 3.66Å; Y27-F49 AromaticContact CD1-CE1 3.32Å; Y27-F49 HydrophobicContact CD1-CE1 3.32Å; Y27-F49 HydrophobicContact CD1-CG 4.4Å; Y27-F49 AromaticContact CD1-CZ 3.83Å; Y27-F49 HydrophobicContact CD1-CZ 3.83Å; Y27-F49 AromaticContact CE1-CD1 3.34Å; Y27-F49 HydrophobicContact CE1-CD1 3.34Å; Y27-F49 AromaticContact CE1-CE1 3.1Å; Y27-F49 HydrophobicContact CE1-CE1 3.1Å; Y27-F49 HydrophobicContact CE1-CG 4.41Å; Y27-F49 HydrophobicContact CE1-CZ 4.05Å; F49-D51 PolarHBondContact O-N 3.48Å; F49-G63 CarbonylContact O-C 3.58Å; F49-G63 WeakPolarHBondContact O-CA 3.42Å; F49-F64 HydrophobicContact CB-CB 4.23Å; F49-F64 PolarHBondContact N-O 3Å; F49-F64 PolarHBondContact O-N 2.85Å; F49-F66 AromaticContact CD2-CD2 3.47Å; F49-F66 HydrophobicContact CD2-CD2 3.47Å; F49-F66 VanDerWaalsContact CD2-CD2 3.47Å; F49-F66 AromaticContact CD2-CE2 3.66Å; F49-F66 HydrophobicContact CD2-CE2 3.66Å; F49-F66 AromaticContact CE2-CD2 3.45Å; F49-F66 HydrophobicContact CE2-CD2 3.45Å; F49-F66 VanDerWaalsContact CE2-CD2 3.45Å; F49-F66 AromaticContact CE2-CE2 3.89Å; F49-F66 HydrophobicContact CE2-CE2 3.89Å; F49-F66 HydrophobicContact CE2-CG 4.44Å; F49-F66 HydrophobicContact CG-CE2 4.41Å
50	P	49.4	Very low	48.8	Very low	26 Å²	26	68.4 Å²	68.4	17%	0.169	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	123.3	168.6	22.5	-29.4	0	0	0	109.8	V25 Y26 F48 P52 V61	V25-P50 HydrophobicContact CG1-CG 3.9Å; Y26-P50 WeakPolarHBondContact O-CD 3.2Å; F48-P50 HydrophobicContact CE1-CB 4.17Å; F48-P50 HydrophobicContact CE1-CG 4.47Å; P50-P52 VanDerWaalsContact O-CD 3.26Å; P50-P52 WeakPolarHBondContact O-CD 3.05Å; P50-V61 HydrophobicContact CB-CB 4.16Å; P50-V61 HydrophobicContact CB-CG1 3.51Å
51	D	49.2	Very low	48.4	Very low	42 Å²	42	64.1 Å²	64.1	23%	0.225	38%	0.381	C	S	.	.			trans	-71.6	114	174.2	-172.7	-22	0	0	0	109.8	F49 N53 I54	F49-D51 PolarHBondContact O-N 3.48Å; D51-N53 PolarHBondContact O-N 2.99Å; D51-N53 WeakPolarHBondContact OD1-CB 3.21Å; D51-N53 PolarHBondContact OD1-N 2.89Å; D51-I54 HydrophobicContact CB-CB 4.48Å; D51-I54 HydrophobicContact CB-CD1 3.8Å; D51-I54 HydrophobicContact CB-CG1 4.01Å; D51-I54 PolarHBondContact O-N 2.94Å; D51-I54 WeakPolarHBondContact OD2-CD1 3.38Å
52	P	48.1	Very low	47.8	Very low	67 Å²	67	66.9 Å²	66.9	44%	0.435	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-16.2	-178.5	29.1	-33.1	0	0	0	113.3	V25 P50 I54 T55	V25-P52 HydrophobicContact CG2-CG 4.34Å; P50-P52 VanDerWaalsContact O-CD 3.26Å; P50-P52 WeakPolarHBondContact O-CD 3.05Å; P52-I54 VanDerWaalsContact C-N 3.33Å; P52-T55 PolarHBondContact O-OG1 3.13Å
53	N	46.4	Very low	47.4	Very low	154 Å²	154	66.7 Å²	66.7	82%	0.824	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-8.4	-179.8	-68.3	-29.8	0	0	0	113.4	D51	D51-N53 PolarHBondContact O-N 2.99Å; D51-N53 WeakPolarHBondContact OD1-CB 3.21Å; D51-N53 PolarHBondContact OD1-N 2.89Å
54	I	44.4	Very low	46.9	Very low	89 Å²	89	72.8 Å²	72.8	46%	0.456	43%	0.432	S	S	.	.	S	Bend	trans	-97.7	-12.1	-177.5	-58.4	179.4	0	0	0	111.9	D51 P52 G56 P62	D51-I54 HydrophobicContact CB-CB 4.48Å; D51-I54 HydrophobicContact CB-CD1 3.8Å; D51-I54 HydrophobicContact CB-CG1 4.01Å; D51-I54 PolarHBondContact O-N 2.94Å; D51-I54 WeakPolarHBondContact OD2-CD1 3.38Å; P52-I54 VanDerWaalsContact C-N 3.33Å; I54-G56 PolarHBondContact O-N 2.85Å; I54-G56 VanDerWaalsContact O-N 3.11Å; I54-P62 HydrophobicContact CD1-CG 4.05Å; I54-P62 HydrophobicContact CG2-CG 3.95Å
55	T	38.7	Very low	46.8	Very low	80 Å²	80	76.3 Å²	76.3	49%	0.491	45%	0.452	S	S	.	.			trans	-90.4	78.4	-173.4	48.2	0	0	0	0	113.4	P52 V61	P52-T55 PolarHBondContact O-OG1 3.13Å; T55-V61 HydrophobicContact CG2-CB 4.42Å; T55-V61 HydrophobicContact CG2-CG1 4.1Å; T55-V61 HydrophobicContact CG2-CG2 3.66Å
56	G	41.4	Very low	46.5	Very low	85 Å²	85	80.2 Å²	80.2	88%	0.876	47%	0.469	S	S	*	.	S	Bend	trans	-102.4	-8.9	162.3	0	0	0	0	0	114.2	I54	I54-G56 PolarHBondContact O-N 2.85Å; I54-G56 VanDerWaalsContact O-N 3.11Å
57	S	35.6	Very low	46.7	Very low	78 Å²	78	82.3 Å²	82.3	55%	0.545	48%	0.478	S	S	.	.	S	Bend	trans	-142.6	133.8	-176.5	58.6	0	0	0	0	108.9	L59	S57-L59 PolarHBondContact O-N 2.94Å
58	G	36.4	Very low	47.1	Very low	97 Å²	97	84.7 Å²	84.7	100%	1	49%	0.489	S	S	*	.	S	Bend	trans	-62.9	50.5	-176.4	0	0	0	0	0	116.6
59	L	31.6	Very low	47.5	Very low	135 Å²	135	83.7 Å²	83.7	71%	0.707	49%	0.489	S	S	*	.	S	Bend	trans	-129.1	131.6	-179.7	-86.9	156.9	0	0	0	109.6	S57 V61	S57-L59 PolarHBondContact O-N 2.94Å; L59-V61 PolarHBondContact O-N 3.2Å
60	K	41.4	Very low	47.9	Very low	200 Å²	200	83.8 Å²	83.8	87%	0.87	49%	0.489	S	S	*	.			trans	1.8	99.8	172	-64.4	-178.8	179.5	178.6	0	114.8	P62	K60-P62 VanDerWaalsContact O-CD 3.31Å; K60-P62 WeakPolarHBondContact O-CD 3.1Å
61	V	41.3	Very low	48.7	Very low	52 Å²	52	87.4 Å²	87.4	32%	0.315	50%	0.502	S	S	.	.			trans	-57.9	116.9	173.6	-166.2	0	0	0	0	109	P50 T55 L59 G63	P50-V61 HydrophobicContact CB-CB 4.16Å; P50-V61 HydrophobicContact CB-CG1 3.51Å; T55-V61 HydrophobicContact CG2-CB 4.42Å; T55-V61 HydrophobicContact CG2-CG1 4.1Å; T55-V61 HydrophobicContact CG2-CG2 3.66Å; L59-V61 PolarHBondContact O-N 3.2Å; V61-G63 PolarHBondContact O-N 3.35Å; V61-G63 VanDerWaalsContact O-N 3.11Å
62	P	43.5	Very low	49.4	Very low	75 Å²	75	85.6 Å²	85.6	49%	0.487	49%	0.493	S	S	.	.			trans	-66.4	113.5	165	4.6	8.4	0	0	0	105.9	I54 K60	I54-P62 HydrophobicContact CD1-CG 4.05Å; I54-P62 HydrophobicContact CG2-CG 3.95Å; K60-P62 VanDerWaalsContact O-CD 3.31Å; K60-P62 WeakPolarHBondContact O-CD 3.1Å
63	G	48.6	Very low	50.2	Low	23 Å²	23	84.7 Å²	84.7	24%	0.237	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	152.7	174.7	0	0	0	0	0	111.4	F48 F49 V61 L65	F48-G63 VanDerWaalsContact CE2-CA 3.44Å; F48-G63 VanDerWaalsContact CZ-CA 3.44Å; F49-G63 CarbonylContact O-C 3.58Å; F49-G63 WeakPolarHBondContact O-CA 3.42Å; V61-G63 PolarHBondContact O-N 3.35Å; V61-G63 VanDerWaalsContact O-N 3.11Å; G63-L65 PolarHBondContact O-N 2.87Å
64	F	50.3	Low	50.8	Low	127 Å²	127	83.8 Å²	83.8	56%	0.557	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	123.4	174.8	-62.6	-86	0	0	0	108.7	S47 F48 F49 F66	S47-F64 VanDerWaalsContact O-O 3.09Å; F48-F64 CarbonylContact C-O 3.55Å; F48-F64 VanDerWaalsContact CA-O 3.31Å; F48-F64 WeakPolarHBondContact CA-O 3.38Å; F49-F64 HydrophobicContact CB-CB 4.23Å; F49-F64 PolarHBondContact N-O 3Å; F49-F64 PolarHBondContact O-N 2.85Å; F64-F66 HydrophobicContact CB-CD2 4.14Å; F64-F66 HydrophobicContact CB-CE2 3.56Å; F64-F66 HydrophobicContact CB-CZ 4.26Å; F64-F66 HydrophobicContact CG-CE2 4.46Å
65	L	54.1	Low	51.9	Low	112 Å²	112	83.7 Å²	83.7	59%	0.586	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	108.5	170	-171	75.7	0	0	0	108.1	F46 S47 F48 G63	F46-L65 HydrophobicContact CB-CD1 4.26Å; S47-L65 CarbonylContact O-C 3.51Å; S47-L65 WeakPolarHBondContact O-CA 3.32Å; F48-L65 HydrophobicContact CB-CD1 4.43Å; F48-L65 HydrophobicContact CD2-CD1 4.48Å; G63-L65 PolarHBondContact O-N 2.87Å
66	F	55.4	Low	53	Low	86 Å²	86	80.1 Å²	80.1	38%	0.377	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	130.4	170.4	-69.1	-90.6	0	0	0	109.5	F46 S47 F49 F64	F46-F66 CarbonylContact C-O 3.56Å; F46-F66 VanDerWaalsContact CA-O 3.31Å; F46-F66 WeakPolarHBondContact CA-O 3.21Å; S47-F66 PolarHBondContact N-O 2.78Å; S47-F66 PolarHBondContact O-N 2.77Å; F49-F66 AromaticContact CD2-CD2 3.47Å; F49-F66 HydrophobicContact CD2-CD2 3.47Å; F49-F66 VanDerWaalsContact CD2-CD2 3.47Å; F49-F66 AromaticContact CD2-CE2 3.66Å; F49-F66 HydrophobicContact CD2-CE2 3.66Å; F49-F66 AromaticContact CE2-CD2 3.45Å; F49-F66 HydrophobicContact CE2-CD2 3.45Å; F49-F66 VanDerWaalsContact CE2-CD2 3.45Å; F49-F66 AromaticContact CE2-CE2 3.89Å; F49-F66 HydrophobicContact CE2-CE2 3.89Å; F49-F66 HydrophobicContact CE2-CG 4.44Å; F49-F66 HydrophobicContact CG-CE2 4.41Å; F64-F66 HydrophobicContact CB-CD2 4.14Å; F64-F66 HydrophobicContact CB-CE2 3.56Å; F64-F66 HydrophobicContact CB-CZ 4.26Å; F64-F66 HydrophobicContact CG-CE2 4.46Å
67	F	60.6	Low	54	Low	107 Å²	107	76.2 Å²	76.2	47%	0.469	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	116.8	176.3	-179.3	-103.3	0	0	0	109.3	F44 F45 F46 T69	F44-F67 HydrophobicContact CB-CE2 3.96Å; F44-F67 HydrophobicContact CB-CZ 4.41Å; F44-F67 HydrophobicContact CD1-CE1 4.23Å; F44-F67 AromaticContact CD1-CE2 3.68Å; F44-F67 HydrophobicContact CD1-CE2 3.68Å; F44-F67 AromaticContact CD1-CZ 3.26Å; F44-F67 HydrophobicContact CD1-CZ 3.26Å; F44-F67 AromaticContact CE1-CZ 3.81Å; F44-F67 HydrophobicContact CE1-CZ 3.81Å; F44-F67 HydrophobicContact CG-CE2 4.19Å; F44-F67 HydrophobicContact CG-CZ 4.2Å; F45-F67 WeakPolarHBondContact O-CA 3.35Å; F46-F67 AromaticContact CD1-CD2 3.73Å; F46-F67 HydrophobicContact CD1-CD2 3.73Å; F46-F67 HydrophobicContact CD1-CE2 4.27Å; F46-F67 AromaticContact CE1-CD2 3.38Å; F46-F67 HydrophobicContact CE1-CD2 3.38Å; F46-F67 AromaticContact CE1-CE2 3.49Å; F46-F67 HydrophobicContact CE1-CE2 3.49Å; F46-F67 VanDerWaalsContact CE1-CE2 3.49Å; F46-F67 HydrophobicContact CE2-CE2 4.47Å; F46-F67 AromaticContact CZ-CD2 3.94Å; F46-F67 HydrophobicContact CZ-CD2 3.94Å; F46-F67 AromaticContact CZ-CE2 3.61Å; F46-F67 HydrophobicContact CZ-CE2 3.61Å; F67-T69 WeakPolarHBondContact CE1-OG1 3.03Å; F67-T69 WeakPolarHBondContact CZ-OG1 3.3Å
68	H	63.9	Low	55.2	Low	54 Å²	54	77.3 Å²	77.3	25%	0.25	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.2	172.8	-61.9	-75.3	0	0	0	110.2	F44 F45 F70	F44-H68 CarbonylContact C-O 3.56Å; F44-H68 WeakPolarHBondContact CA-O 3.18Å; F45-H68 HydrophobicContact CB-CB 4.26Å; F45-H68 PolarHBondContact N-O 3.37Å; F45-H68 PolarHBondContact O-N 3.38Å; H68-F70 HydrophobicContact CB-CD2 4.23Å; H68-F70 HydrophobicContact CB-CE2 3.45Å; H68-F70 VanDerWaalsContact CB-CE2 3.45Å; H68-F70 HydrophobicContact CB-CZ 3.88Å
69	T	60.7	Low	56.4	Low	49 Å²	49	75 Å²	75	30%	0.301	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127	173.3	-59.4	0	0	0	0	109	Q42 C43 F44 F67 F71	Q42-T69 HydrophobicContact CG-CG2 3.77Å; C43-T69 WeakPolarHBondContact O-CA 2.88Å; F44-T69 HydrophobicContact CD1-CG2 3.99Å; F44-T69 WeakPolarHBondContact CD1-OG1 3.49Å; F44-T69 HydrophobicContact CE1-CG2 3.78Å; F67-T69 WeakPolarHBondContact CE1-OG1 3.03Å; F67-T69 WeakPolarHBondContact CZ-OG1 3.3Å; T69-F71 HydrophobicContact CG2-CE2 4.14Å; T69-F71 HydrophobicContact CG2-CZ 4.22Å
70	F	65.2	Low	57.8	Low	21 Å²	21	68.8 Å²	68.8	9%	0.092	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.2	176.3	-63.4	-74.5	0	0	0	110.4	L11 L12 I15 Q42 C43 F45 H68 F72	L11-F70 HydrophobicContact CD2-CE1 3.69Å; L11-F70 HydrophobicContact CD2-CZ 3.98Å; L12-F70 HydrophobicContact CD1-CD2 4.22Å; L12-F70 HydrophobicContact CD1-CE2 3.74Å; I15-F70 HydrophobicContact CD1-CE2 4.36Å; I15-F70 HydrophobicContact CD1-CZ 3.85Å; Q42-F70 CarbonylContact C-O 3.54Å; Q42-F70 WeakPolarHBondContact CA-O 3.31Å; C43-F70 PolarHBondContact N-O 2.72Å; C43-F70 PolarHBondContact O-N 3.27Å; F45-F70 AromaticContact CD2-CD2 3.49Å; F45-F70 HydrophobicContact CD2-CD2 3.49Å; F45-F70 VanDerWaalsContact CD2-CD2 3.49Å; F45-F70 AromaticContact CD2-CE2 3.88Å; F45-F70 HydrophobicContact CD2-CE2 3.88Å; F45-F70 AromaticContact CE2-CD2 3.59Å; F45-F70 HydrophobicContact CE2-CD2 3.59Å; F45-F70 HydrophobicContact CE2-CE2 4.25Å; H68-F70 HydrophobicContact CB-CD2 4.23Å; H68-F70 HydrophobicContact CB-CE2 3.45Å; H68-F70 VanDerWaalsContact CB-CE2 3.45Å; H68-F70 HydrophobicContact CB-CZ 3.88Å; F70-F72 HydrophobicContact CB-CD2 3.86Å; F70-F72 HydrophobicContact CB-CE1 4.49Å; F70-F72 HydrophobicContact CB-CE2 3.21Å; F70-F72 HydrophobicContact CB-CZ 3.58Å; F70-F72 HydrophobicContact CD2-CE2 4.4Å; F70-F72 HydrophobicContact CD2-CZ 4.5Å; F70-F72 HydrophobicContact CG-CE2 4.01Å; F70-F72 HydrophobicContact CG-CZ 4Å
71	F	66.2	Low	58.7	Low	103 Å²	103	62.8 Å²	62.8	45%	0.452	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	118.3	173.9	-62.4	-88.5	0	0	0	108.5	L36 L41 Q42 T69	L36-F71 HydrophobicContact CD1-CD1 3.66Å; L36-F71 HydrophobicContact CD1-CE1 3.76Å; L41-F71 CarbonylContact O-C 3.55Å; L41-F71 WeakPolarHBondContact O-CA 3.34Å; Q42-F71 HydrophobicContact CB-CD1 3.93Å; Q42-F71 HydrophobicContact CB-CE1 3.92Å; Q42-F71 HydrophobicContact CG-CD1 3.96Å; Q42-F71 HydrophobicContact CG-CE1 3.61Å; Q42-F71 HydrophobicContact CG-CZ 4.12Å; T69-F71 HydrophobicContact CG2-CE2 4.14Å; T69-F71 HydrophobicContact CG2-CZ 4.22Å
72	F	63.4	Low	59.5	Low	4 Å²	4	64.4 Å²	64.4	2%	0.018	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	148.8	-176.5	-68.6	-71.3	0	0	0	110.4	L41 C43 F45 F70 C76 C77 L80	L41-F72 PolarHBondContact N-O 3.34Å; L41-F72 PolarHBondContact O-N 3.22Å; C43-F72 HydrophobicContact CB-CD2 3.88Å; C43-F72 HydrophobicContact CB-CE2 3.93Å; F45-F72 HydrophobicContact CE2-CE2 4.21Å; F70-F72 HydrophobicContact CB-CD2 3.86Å; F70-F72 HydrophobicContact CB-CE1 4.49Å; F70-F72 HydrophobicContact CB-CE2 3.21Å; F70-F72 HydrophobicContact CB-CZ 3.58Å; F70-F72 HydrophobicContact CD2-CE2 4.4Å; F70-F72 HydrophobicContact CD2-CZ 4.5Å; F70-F72 HydrophobicContact CG-CE2 4.01Å; F70-F72 HydrophobicContact CG-CZ 4Å; F72-C76 HydrophobicContact CB-CB 3.91Å; F72-C76 HydrophobicContact CD1-CB 3.77Å; F72-C76 HydrophobicContact CG-CB 4.23Å; F72-C77 HydrophobicContact CB-CB 4.31Å; F72-L80 HydrophobicContact CD1-CD1 4.45Å; F72-L80 HydrophobicContact CD2-CD1 4.43Å; F72-L80 HydrophobicContact CE1-CD1 3.81Å; F72-L80 HydrophobicContact CE2-CD1 3.78Å; F72-L80 HydrophobicContact CZ-CD1 3.46Å; F72-L80 VanDerWaalsContact CZ-CD1 3.46Å
73	S	65.2	Low	60.2	Low	47 Å²	47	62.6 Å²	62.6	33%	0.329	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	158.9	159	67	0	0	0	0	109.4	E39 S75 C76 C77	E39-S73 CarbonylContact O-C 3.57Å; E39-S73 VanDerWaalsContact O-CA 3.32Å; E39-S73 WeakPolarHBondContact O-CA 3.35Å; S73-S75 PolarHBondContact O-N 2.74Å; S73-S75 PolarHBondContact OG-OG 3.43Å; S73-C76 WeakPolarHBondContact O-CB 3.38Å; S73-C76 PolarHBondContact O-N 3.34Å; S73-C76 VanDerWaalsContact O-N 3.12Å; S73-C76 PolarHBondContact OG-N 3.31Å; S73-C76 PolarHBondContact OG-SG 2.78Å; S73-C77 PolarHBondContact O-N 2.88Å
74	K	59.4	Low	60.7	Low	135 Å²	135	62.1 Å²	62.1	59%	0.587	32%	0.321	S	S	*	.	H	α-helix	trans	-54.3	-41.9	177.4	-154.3	178.7	-173	178.7	0	112.5	E39 L41 C77 Q78	E39-K74 PolarHBondContact O-N 3.3Å; L41-K74 HydrophobicContact CD1-CB 4.46Å; L41-K74 HydrophobicContact CD1-CG 4.14Å; K74-C77 PolarHBondContact O-N 3.11Å; K74-Q78 PolarHBondContact O-N 3.3Å
75	S	66.3	Low	60.7	Low	87 Å²	87	58.9 Å²	58.9	61%	0.608	31%	0.313	S	S	*	.	H	α-helix	trans	-63.3	-40.7	177	51.5	0	0	0	0	113.3	S73 Q78 A79	S73-S75 PolarHBondContact O-N 2.74Å; S73-S75 PolarHBondContact OG-OG 3.43Å; S75-Q78 PolarHBondContact O-N 3.11Å; S75-A79 PolarHBondContact O-N 3.39Å; S75-A79 VanDerWaalsContact O-N 3.12Å
76	C	62.9	Low	60.7	Low	5 Å²	5	56.5 Å²	56.5	3%	0.034	31%	0.306	C	S	.	.	H	α-helix	trans	-62.8	-44.9	174.2	-68.4	0	0	0	0	112.2	C5 F72 S73 Q78 A79 L80	C5-C76 WeakPolarHBondContact CA-SG 3.27Å; C5-C76 HydrophobicContact CB-CB 4.3Å; C5-C76 WeakPolarHBondContact CB-SG 3.46Å; C5-C76 WeakPolarHBondContact SG-CA 3.16Å; C5-C76 WeakPolarHBondContact SG-CB 3.11Å; C5-C76 CovalentContact SG-SG 1.99Å; C5-C76 PolarHBondContact SG-SG 2.75Å; F72-C76 HydrophobicContact CB-CB 3.91Å; F72-C76 HydrophobicContact CD1-CB 3.77Å; F72-C76 HydrophobicContact CG-CB 4.23Å; S73-C76 WeakPolarHBondContact O-CB 3.38Å; S73-C76 PolarHBondContact O-N 3.34Å; S73-C76 VanDerWaalsContact O-N 3.12Å; S73-C76 PolarHBondContact OG-N 3.31Å; S73-C76 PolarHBondContact OG-SG 2.78Å; C76-Q78 VanDerWaalsContact C-N 3.28Å; C76-Q78 PolarHBondContact O-N 2.87Å; C76-A79 PolarHBondContact O-N 3.46Å; C76-L80 VanDerWaalsContact O-CB 3.26Å; C76-L80 WeakPolarHBondContact O-CB 3.34Å; C76-L80 PolarHBondContact O-N 2.97Å
77	C	62.1	Low	60.5	Low	3 Å²	3	56 Å²	56	2%	0.02	31%	0.308	C	S	.	.	H	α-helix	trans	-66.2	-36.2	-177.1	-159.2	0	0	0	0	111.1	L41 F72 S73 K74 L80 I81	L41-C77 HydrophobicContact CD1-CB 3.31Å; F72-C77 HydrophobicContact CB-CB 4.31Å; S73-C77 PolarHBondContact O-N 2.88Å; K74-C77 PolarHBondContact O-N 3.11Å; C77-L80 WeakPolarHBondContact O-CB 3.26Å; C77-L80 PolarHBondContact O-N 2.07Å; C77-I81 VanDerWaalsContact O-CG1 3.3Å; C77-I81 WeakPolarHBondContact O-CG1 3.31Å; C77-I81 PolarHBondContact O-N 3.34Å
78	Q	60.2	Low	59.9	Low	102 Å²	102	54.6 Å²	54.6	48%	0.477	30%	0.3	S	S	.	.	H	α-helix	trans	-61.8	-50	172.9	-171.1	62.3	54	0	0	111.4	K74 S75 C76 L80 I81 D82	K74-Q78 PolarHBondContact O-N 3.3Å; S75-Q78 PolarHBondContact O-N 3.11Å; C76-Q78 VanDerWaalsContact C-N 3.28Å; C76-Q78 PolarHBondContact O-N 2.87Å; Q78-L80 PolarHBondContact O-N 3.49Å; Q78-I81 PolarHBondContact O-N 3.33Å; Q78-I81 VanDerWaalsContact O-N 3.13Å; Q78-D82 PolarHBondContact NE2-OD1 3.31Å; Q78-D82 PolarHBondContact O-N 3.32Å
79	A	62.6	Low	59.1	Low	48 Å²	48	59.9 Å²	59.9	40%	0.397	32%	0.318	S	S	.	.	H	α-helix	trans	-58	-35.3	177.3	0	0	0	0	0	112.6	S75 C76 D82 S83	S75-A79 PolarHBondContact O-N 3.39Å; S75-A79 VanDerWaalsContact O-N 3.12Å; C76-A79 PolarHBondContact O-N 3.46Å; A79-D82 PolarHBondContact O-N 2.85Å; A79-S83 WeakPolarHBondContact O-CB 3.39Å; A79-S83 PolarHBondContact O-N 3.05Å
80	L	61.4	Low	58.4	Low	4 Å²	4	63.4 Å²	63.4	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-70.1	-43.5	178.7	-160.9	147.3	0	0	0	111.1	L9 L12 F45 F72 C76 C77 Q78 F84	L9-L80 HydrophobicContact CD1-CB 3.85Å; L9-L80 HydrophobicContact CD1-CD1 3.87Å; L9-L80 HydrophobicContact CD1-CG 4.14Å; L9-L80 HydrophobicContact CG-CD1 4.06Å; L9-L80 HydrophobicContact CG-CG 4.39Å; L12-L80 HydrophobicContact CD2-CD1 3.77Å; L12-L80 HydrophobicContact CD2-CD2 3.83Å; L12-L80 HydrophobicContact CD2-CG 3.89Å; F45-L80 HydrophobicContact CE1-CD2 4.47Å; F45-L80 HydrophobicContact CZ-CD2 3.98Å; F72-L80 HydrophobicContact CD1-CD1 4.45Å; F72-L80 HydrophobicContact CD2-CD1 4.43Å; F72-L80 HydrophobicContact CE1-CD1 3.81Å; F72-L80 HydrophobicContact CE2-CD1 3.78Å; F72-L80 HydrophobicContact CZ-CD1 3.46Å; F72-L80 VanDerWaalsContact CZ-CD1 3.46Å; C76-L80 VanDerWaalsContact O-CB 3.26Å; C76-L80 WeakPolarHBondContact O-CB 3.34Å; C76-L80 PolarHBondContact O-N 2.97Å; C77-L80 WeakPolarHBondContact O-CB 3.26Å; C77-L80 PolarHBondContact O-N 2.07Å; Q78-L80 PolarHBondContact O-N 3.49Å; L80-F84 HydrophobicContact CD2-CD2 3.78Å; L80-F84 HydrophobicContact CD2-CE2 3.42Å; L80-F84 VanDerWaalsContact CD2-CE2 3.42Å; L80-F84 HydrophobicContact CG-CD2 4.4Å; L80-F84 HydrophobicContact CG-CE2 3.93Å; L80-F84 WeakPolarHBondContact O-CD2 3.17Å; L80-F84 PolarHBondContact O-N 3.37Å; L80-F84 VanDerWaalsContact O-N 3.11Å
81	I	59.1	Low	57.6	Low	75 Å²	75	65.7 Å²	65.7	39%	0.385	34%	0.342	S	S	.	.	H	α-helix	trans	-62.3	-43.4	172	-69.3	165.5	0	0	0	111	C77 Q78 F84 S85	C77-I81 VanDerWaalsContact O-CG1 3.3Å; C77-I81 WeakPolarHBondContact O-CG1 3.31Å; C77-I81 PolarHBondContact O-N 3.34Å; Q78-I81 PolarHBondContact O-N 3.33Å; Q78-I81 VanDerWaalsContact O-N 3.13Å; I81-F84 PolarHBondContact O-N 2.85Å; I81-S85 VanDerWaalsContact O-CB 3.3Å; I81-S85 WeakPolarHBondContact O-CB 3.5Å; I81-S85 PolarHBondContact O-N 2.89Å; I81-S85 PolarHBondContact O-OG 2.63Å
82	D	59.1	Low	56.7	Low	86 Å²	86	63.8 Å²	63.8	46%	0.46	33%	0.333	S	S	.	.	H	α-helix	trans	-65.1	-43.7	-178.7	-64	-19.5	0	0	0	111.1	Q78 A79 S85 S86	Q78-D82 PolarHBondContact NE2-OD1 3.31Å; Q78-D82 PolarHBondContact O-N 3.32Å; A79-D82 PolarHBondContact O-N 2.85Å; D82-S85 PolarHBondContact O-N 3.09Å; D82-S86 PolarHBondContact O-N 2.76Å
83	S	57.3	Low	56	Low	36 Å²	36	69 Å²	69	25%	0.252	36%	0.359	S	S	.	.	H	α-helix	trans	-60.4	-47.4	175.8	-167	0	0	0	0	111.3	A79 S85 S86 D87	A79-S83 WeakPolarHBondContact O-CB 3.39Å; A79-S83 PolarHBondContact O-N 3.05Å; S83-S85 VanDerWaalsContact C-N 3.34Å; S83-S85 PolarHBondContact O-N 2.71Å; S83-S86 WeakPolarHBondContact O-CB 3.49Å; S83-S86 PolarHBondContact O-N 3.04Å; S83-D87 PolarHBondContact O-N 3.32Å
84	F	58.7	Low	55	Low	14 Å²	14	72 Å²	72	6%	0.061	37%	0.37	C	S	.	.	H	α-helix	trans	-66.7	-35.9	178.4	-77.1	-48.1	0	0	0	113.8	L12 L16 I31 L80 I81 S86 D87 Y88 I110	L12-F84 HydrophobicContact CD2-CE2 3.61Å; L12-F84 HydrophobicContact CD2-CZ 3.62Å; L12-F84 HydrophobicContact CG-CZ 4.44Å; L16-F84 HydrophobicContact CD1-CE1 3.25Å; L16-F84 HydrophobicContact CD1-CZ 3.23Å; I31-F84 HydrophobicContact CD1-CD2 3.89Å; I31-F84 HydrophobicContact CD1-CE2 3.87Å; L80-F84 HydrophobicContact CD2-CD2 3.78Å; L80-F84 HydrophobicContact CD2-CE2 3.42Å; L80-F84 VanDerWaalsContact CD2-CE2 3.42Å; L80-F84 HydrophobicContact CG-CD2 4.4Å; L80-F84 HydrophobicContact CG-CE2 3.93Å; L80-F84 WeakPolarHBondContact O-CD2 3.17Å; L80-F84 PolarHBondContact O-N 3.37Å; L80-F84 VanDerWaalsContact O-N 3.11Å; I81-F84 PolarHBondContact O-N 2.85Å; F84-S86 VanDerWaalsContact C-N 3.32Å; F84-D87 PolarHBondContact O-N 3.5Å; F84-Y88 WeakPolarHBondContact O-CB 3.21Å; F84-Y88 PolarHBondContact O-N 3.29Å; F84-I110 HydrophobicContact CB-CD1 3.61Å; F84-I110 HydrophobicContact CD1-CD1 3.24Å; F84-I110 HydrophobicContact CD1-CG1 4.49Å; F84-I110 HydrophobicContact CE1-CD1 4.11Å; F84-I110 HydrophobicContact CG-CD1 3.57Å
85	S	51.7	Low	54.4	Low	58 Å²	58	68.7 Å²	68.7	41%	0.406	36%	0.357	S	S	.	.	H	α-helix	trans	-66.1	-39.3	177	-60.5	0	0	0	0	110.8	I81 D82 S83 Y88 Y89	I81-S85 VanDerWaalsContact O-CB 3.3Å; I81-S85 WeakPolarHBondContact O-CB 3.5Å; I81-S85 PolarHBondContact O-N 2.89Å; I81-S85 PolarHBondContact O-OG 2.63Å; D82-S85 PolarHBondContact O-N 3.09Å; S83-S85 VanDerWaalsContact C-N 3.34Å; S83-S85 PolarHBondContact O-N 2.71Å; S85-Y88 PolarHBondContact O-N 2.9Å; S85-Y89 WeakPolarHBondContact O-CB 3.22Å; S85-Y89 PolarHBondContact O-N 3.43Å
86	S	53.8	Low	53.7	Low	62 Å²	62	73 Å²	73	43%	0.434	37%	0.365	S	S	.	.	H	α-helix	trans	-60.4	-50.8	173.4	-178.9	0	0	0	0	111.4	D82 S83 F84 Y88 Y89 Q90	D82-S86 PolarHBondContact O-N 2.76Å; S83-S86 WeakPolarHBondContact O-CB 3.49Å; S83-S86 PolarHBondContact O-N 3.04Å; F84-S86 VanDerWaalsContact C-N 3.32Å; S86-Y88 VanDerWaalsContact C-N 3.34Å; S86-Y88 PolarHBondContact O-N 3.42Å; S86-Y89 PolarHBondContact O-N 3.42Å; S86-Q90 WeakPolarHBondContact O-CG 3.44Å; S86-Q90 PolarHBondContact O-N 2.92Å
87	D	50.8	Low	53.1	Low	77 Å²	77	78.8 Å²	78.8	41%	0.412	40%	0.396	S	S	.	.	H	α-helix	trans	-62.2	-41.1	179.2	-70.7	-17.9	0	0	0	111.8	S83 F84 Q90 F91	S83-D87 PolarHBondContact O-N 3.32Å; F84-D87 PolarHBondContact O-N 3.5Å; D87-Q90 PolarHBondContact O-N 3.11Å; D87-F91 PolarHBondContact O-N 2.9Å
88	Y	48.1	Very low	52.1	Low	76 Å²	76	87 Å²	87	30%	0.298	43%	0.426	S	S	.	.	H	α-helix	trans	-63.4	-42.8	175.1	177.2	-102.4	0	0	0	112.2	F84 S85 S86 Q90 F91 K92	F84-Y88 WeakPolarHBondContact O-CB 3.21Å; F84-Y88 PolarHBondContact O-N 3.29Å; S85-Y88 PolarHBondContact O-N 2.9Å; S86-Y88 VanDerWaalsContact C-N 3.34Å; S86-Y88 PolarHBondContact O-N 3.42Å; Y88-Q90 PolarHBondContact O-N 2.67Å; Y88-F91 WeakPolarHBondContact O-CB 3.42Å; Y88-F91 PolarHBondContact O-N 3.38Å; Y88-K92 HydrophobicContact CE1-CG 3.94Å; Y88-K92 HydrophobicContact CE2-CG 4.36Å; Y88-K92 PolarHBondContact O-N 3.49Å; Y88-K92 WeakPolarHBondContact OH-CE 3.28Å
89	Y	46	Very low	51.4	Low	165 Å²	165	92.7 Å²	92.7	65%	0.647	45%	0.45	S	S	*	.	H	α-helix	trans	-63.9	-40.8	177.7	-110.6	-83.1	0	0	0	112.1	S85 S86 F91 K92 M93	S85-Y89 WeakPolarHBondContact O-CB 3.22Å; S85-Y89 PolarHBondContact O-N 3.43Å; S86-Y89 PolarHBondContact O-N 3.42Å; Y89-F91 VanDerWaalsContact C-N 3.33Å; Y89-K92 PolarHBondContact O-N 3.06Å; Y89-M93 WeakPolarHBondContact O-CB 3.39Å; Y89-M93 WeakPolarHBondContact O-CG 3.33Å; Y89-M93 PolarHBondContact O-N 3.31Å
90	Q	47.5	Very low	50.2	Low	123 Å²	123	93.4 Å²	93.4	58%	0.575	46%	0.455	S	S	*	.	H	α-helix	trans	-62.1	-42.3	174.3	-70.7	-160.8	8	0	0	111.6	S86 D87 Y88 M93 L94	S86-Q90 WeakPolarHBondContact O-CG 3.44Å; S86-Q90 PolarHBondContact O-N 2.92Å; D87-Q90 PolarHBondContact O-N 3.11Å; Y88-Q90 PolarHBondContact O-N 2.67Å; Q90-M93 PolarHBondContact O-N 3.26Å; Q90-L94 WeakPolarHBondContact O-CG 3.39Å; Q90-L94 PolarHBondContact O-N 2.92Å
91	F	48.5	Very low	48.8	Very low	69 Å²	69	101.9 Å²	101.9	30%	0.303	50%	0.495	S	S	.	.	H	α-helix	trans	-61	-46.9	174.6	-178.6	-92.5	0	0	0	112.2	D87 Y88 Y89 M93 L94 E95 T107	D87-F91 PolarHBondContact O-N 2.9Å; Y88-F91 WeakPolarHBondContact O-CB 3.42Å; Y88-F91 PolarHBondContact O-N 3.38Å; Y89-F91 VanDerWaalsContact C-N 3.33Å; F91-M93 VanDerWaalsContact C-N 3.33Å; F91-M93 PolarHBondContact O-N 3.02Å; F91-L94 WeakPolarHBondContact O-CB 3.5Å; F91-L94 PolarHBondContact O-N 3.34Å; F91-E95 WeakPolarHBondContact O-CB 2.9Å; F91-E95 PolarHBondContact O-N 2.9Å; F91-T107 HydrophobicContact CZ-CG2 4.32Å
92	K	47	Very low	47.7	Very low	64 Å²	64	108.5 Å²	108.5	28%	0.278	52%	0.521	S	S	.	.	H	α-helix	trans	-60.9	-38.7	176.9	-100.1	-74.8	177	-147.5	0	112.9	Y88 Y89 E95 K96	Y88-K92 HydrophobicContact CE1-CG 3.94Å; Y88-K92 HydrophobicContact CE2-CG 4.36Å; Y88-K92 PolarHBondContact O-N 3.49Å; Y88-K92 WeakPolarHBondContact OH-CE 3.28Å; Y89-K92 PolarHBondContact O-N 3.06Å; K92-E95 IonicContact NZ-OE2 2.82Å; K92-E95 PolarHBondContact NZ-OE2 3.46Å; K92-E95 PolarHBondContact O-N 3.37Å; K92-K96 WeakPolarHBondContact O-CB 3.2Å; K92-K96 PolarHBondContact O-N 3.25Å
93	M	49.2	Very low	46.5	Very low	113 Å²	113	108.9 Å²	108.9	56%	0.557	52%	0.522	S	S	*	.	H	α-helix	trans	-64.2	-44.4	174	-84.9	-84.8	-170.4	0	0	111.2	Y89 Q90 F91 K96 N97	Y89-M93 WeakPolarHBondContact O-CB 3.39Å; Y89-M93 WeakPolarHBondContact O-CG 3.33Å; Y89-M93 PolarHBondContact O-N 3.31Å; Q90-M93 PolarHBondContact O-N 3.26Å; F91-M93 VanDerWaalsContact C-N 3.33Å; F91-M93 PolarHBondContact O-N 3.02Å; M93-K96 PolarHBondContact O-N 3.5Å; M93-N97 WeakPolarHBondContact O-CB 3.5Å; M93-N97 VanDerWaalsContact O-CG 3.26Å; M93-N97 PolarHBondContact O-N 3.41Å; M93-N97 PolarHBondContact O-ND2 2.99Å
94	L	43.6	Very low	45.4	Very low	109 Å²	109	113.7 Å²	113.7	57%	0.571	55%	0.545	S	S	*	.	H	α-helix	trans	-63.6	-41.1	175.4	-72.7	165	0	0	0	112.1	Q90 F91 N97 R98	Q90-L94 WeakPolarHBondContact O-CG 3.39Å; Q90-L94 PolarHBondContact O-N 2.92Å; F91-L94 WeakPolarHBondContact O-CB 3.5Å; F91-L94 PolarHBondContact O-N 3.34Å; L94-N97 PolarHBondContact O-N 3.21Å; L94-R98 PolarHBondContact O-N 3.08Å
95	E	46.9	Very low	44.1	Very low	66 Å²	66	117.8 Å²	117.8	31%	0.308	56%	0.563	S	S	.	*	H	α-helix	trans	-62.8	-44.2	175.7	-168.6	-172.8	-146.5	0	0	111.5	F91 K92	F91-E95 WeakPolarHBondContact O-CB 2.9Å; F91-E95 PolarHBondContact O-N 2.9Å; K92-E95 IonicContact NZ-OE2 2.82Å; K92-E95 PolarHBondContact NZ-OE2 3.46Å; K92-E95 PolarHBondContact O-N 3.37Å
96	K	50.4	Low	43.2	Very low	177 Å²	177	122.1 Å²	122.1	77%	0.77	57%	0.57	S	S	*	*	H	α-helix	trans	-66.4	-36.7	176.6	-94.3	-173.2	172.2	-177.4	0	113.1	K92 M93 R98	K92-K96 WeakPolarHBondContact O-CB 3.2Å; K92-K96 PolarHBondContact O-N 3.25Å; M93-K96 PolarHBondContact O-N 3.5Å; K96-R98 VanDerWaalsContact C-N 3.34Å
97	N	51	Low	42.2	Very low	127 Å²	127	120.3 Å²	120.3	68%	0.679	56%	0.556	S	S	*	*	H	α-helix	trans	-81.2	-11.9	-175.5	-72.8	-23.4	0	0	0	113.7	M93 L94	M93-N97 WeakPolarHBondContact O-CB 3.5Å; M93-N97 VanDerWaalsContact O-CG 3.26Å; M93-N97 PolarHBondContact O-N 3.41Å; M93-N97 PolarHBondContact O-ND2 2.99Å; L94-N97 PolarHBondContact O-N 3.21Å
98	R	41.6	Very low	41.4	Very low	176 Å²	176	120.6 Å²	120.6	66%	0.664	56%	0.557	S	S	*	*			trans	-133.7	88.8	-179.5	-71.3	-171.9	175.6	-179.1	-1.7	112.5	L94 K96 A100	L94-R98 PolarHBondContact O-N 3.08Å; K96-R98 VanDerWaalsContact C-N 3.34Å; R98-A100 PolarHBondContact O-N 3.42Å
99	K	44.2	Very low	40.8	Very low	222 Å²	222	119 Å²	119	97%	0.965	55%	0.551	S	S	*	*	S	Bend	trans	-69.9	8.1	151.8	-81.5	-172.3	174.9	-177.5	0	113.1
100	A	37.6	Very low	40.5	Very low	62 Å²	62	113.5 Å²	113.5	51%	0.512	53%	0.533	S	S	.	.	S	Bend	trans	-128.9	129.2	-169.4	0	0	0	0	0	111.2	R98	R98-A100 PolarHBondContact O-N 3.42Å
101	E	33	Very low	39.9	Very low	182 Å²	182	107.9 Å²	107.9	85%	0.85	51%	0.507	S	S	*	.	S	Bend	trans	74.5	132.6	169.9	-65.5	-176.4	140.7	0	0	118.3	I103	E101-I103 PolarHBondContact O-N 3.27Å
102	K	35.6	Very low	39.2	Very low	215 Å²	215	108.5 Å²	108.5	94%	0.935	52%	0.52	S	S	*	.			trans	-37.3	92.9	-179.7	-72.6	171.7	174.2	174.4	0	112.1	N104	K102-N104 PolarHBondContact O-N 3.06Å
103	I	34.3	Very low	38.5	Very low	94 Å²	94	108.3 Å²	108.3	48%	0.482	52%	0.519	S	S	.	.			trans	-63.4	113.9	162.8	-62.7	178.1	0	0	0	105.8	E101 K105	E101-I103 PolarHBondContact O-N 3.27Å; I103-K105 WeakPolarHBondContact O-CG 3.49Å; I103-K105 PolarHBondContact O-N 2.86Å
104	N	34	Very low	37.6	Very low	137 Å²	137	107.6 Å²	107.6	73%	0.733	52%	0.521	S	S	*	.			trans	-58.8	95	162.3	-141.7	-10.7	0	0	0	105.6	K102 R106	K102-N104 PolarHBondContact O-N 3.06Å; N104-R106 PolarHBondContact O-N 2.85Å
105	K	31.1	Very low	36.8	Very low	100 Å²	100	109.2 Å²	109.2	44%	0.435	52%	0.524	S	S	.	.			trans	-61.8	99.1	-161	-72.5	-177.4	176.2	-179.8	0	110.8	Y26 I103	Y26-K105 HydrophobicContact CE1-CD 4.22Å; Y26-K105 WeakPolarHBondContact OH-CD 3.44Å; Y26-K105 PolarHBondContact OH-NZ 3.12Å; I103-K105 WeakPolarHBondContact O-CG 3.49Å; I103-K105 PolarHBondContact O-N 2.86Å
106	R	32.3	Very low	35.8	Very low	149 Å²	149	113.7 Å²	113.7	56%	0.562	55%	0.545	S	S	*	.			trans	-100.4	103.4	157.8	-78	180	170.7	168.1	-2.1	106.4	S20 N104	S20-R106 VanDerWaalsContact O-CZ 3.28Å; S20-R106 PolarHBondContact O-NE 2.92Å; S20-R106 PolarHBondContact O-NH2 3.32Å; N104-R106 PolarHBondContact O-N 2.85Å
107	T	32.9	Very low	34.6	Very low	23 Å²	23	114.7 Å²	114.7	14%	0.141	55%	0.545	C	S	.	.			trans	-118.3	112	175.6	-44.2	0	0	0	0	108	F91 F109	F91-T107 HydrophobicContact CZ-CG2 4.32Å; T107-F109 HydrophobicContact CG2-CD2 3.78Å; T107-F109 HydrophobicContact CG2-CE1 4.06Å; T107-F109 HydrophobicContact CG2-CE2 3.27Å; T107-F109 HydrophobicContact CG2-CG 4.39Å; T107-F109 HydrophobicContact CG2-CZ 3.44Å; T107-F109 VanDerWaalsContact CG2-CZ 3.44Å
108	I	34.7	Very low	33.1	Very low	84 Å²	84	117.9 Å²	117.9	43%	0.431	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.7	106.4	170.7	-64.8	175.9	0	0	0	105.5	I29 I110	I29-I108 HydrophobicContact CD1-CG2 3.76Å; I108-I110 HydrophobicContact CG2-CD1 4.28Å; I108-I110 HydrophobicContact CG2-CG1 3.88Å
109	F	36.4	Very low	32.6	Very low	41 Å²	41	117.4 Å²	117.4	18%	0.18	56%	0.562	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.4	123.9	170.5	-72.1	-80.1	0	0	0	108.8	Y27 N28 I29 T107 F126	Y27-F109 PolarHBondContact O-N 2.81Å; N28-F109 WeakPolarHBondContact OD1-CB 3.48Å; N28-F109 WeakPolarHBondContact OD1-CD2 3.38Å; N28-F109 WeakPolarHBondContact OD1-CG 3Å; I29-F109 CarbonylContact C-O 3.56Å; I29-F109 WeakPolarHBondContact CA-O 3.44Å; I29-F109 WeakPolarHBondContact CB-O 3.45Å; I29-F109 PolarHBondContact N-O 2.85Å; T107-F109 HydrophobicContact CG2-CD2 3.78Å; T107-F109 HydrophobicContact CG2-CE1 4.06Å; T107-F109 HydrophobicContact CG2-CE2 3.27Å; T107-F109 HydrophobicContact CG2-CG 4.39Å; T107-F109 HydrophobicContact CG2-CZ 3.44Å; T107-F109 VanDerWaalsContact CG2-CZ 3.44Å; F109-F126 VanDerWaalsContact CD1-O 3.28Å; F109-F126 WeakPolarHBondContact CD1-O 3.49Å; F109-F126 WeakPolarHBondContact CE1-O 3.45Å
110	I	37.7	Very low	31.4	Very low	50 Å²	50	115.5 Å²	115.5	26%	0.256	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.2	101.5	175.2	-54.1	-179.9	0	0	0	106.9	I29 I31 F84 I108	I29-I110 WeakPolarHBondContact O-CA 3.34Å; I31-I110 HydrophobicContact CD1-CG2 3.69Å; I31-I110 HydrophobicContact CG1-CG2 4.28Å; F84-I110 HydrophobicContact CB-CD1 3.61Å; F84-I110 HydrophobicContact CD1-CD1 3.24Å; F84-I110 HydrophobicContact CD1-CG1 4.49Å; F84-I110 HydrophobicContact CE1-CD1 4.11Å; F84-I110 HydrophobicContact CG-CD1 3.57Å; I108-I110 HydrophobicContact CG2-CD1 4.28Å; I108-I110 HydrophobicContact CG2-CG1 3.88Å
111	C	36.4	Very low	30.8	Very low	5 Å²	5	117.8 Å²	117.8	3%	0.034	57%	0.566	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.1	109.3	170.5	-53.8	0	0	0	0	107.8	I29 I31 F113 C125	I29-C111 PolarHBondContact O-N 3.5Å; I31-C111 PolarHBondContact N-O 3.19Å; C111-F113 HydrophobicContact CB-CD2 4.44Å; C111-F113 HydrophobicContact CB-CE2 3.56Å; C111-F113 HydrophobicContact CB-CZ 3.85Å; C111-C125 HydrophobicContact CB-CB 4.49Å; C111-C125 WeakPolarHBondContact CB-SG 3.47Å; C111-C125 WeakPolarHBondContact SG-CA 3.5Å; C111-C125 WeakPolarHBondContact SG-CB 3.46Å; C111-C125 CovalentContact SG-SG 2.07Å; C111-C125 PolarHBondContact SG-SG 3.08Å
112	S	33.2	Very low	30.4	Very low	82 Å²	82	113.8 Å²	113.8	57%	0.573	56%	0.557	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.3	125.7	171.3	76.3	0	0	0	0	110.3	I31	I31-S112 CarbonylContact O-C 3.46Å; I31-S112 WeakPolarHBondContact O-CA 3.32Å
113	F	31.9	Very low	30.1	Very low	61 Å²	61	113.4 Å²	113.4	27%	0.268	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.6	118.8	171.6	-55.7	-92.6	0	0	0	109.1	C30 I31 V33 C111	C30-F113 HydrophobicContact CB-CD2 4.47Å; C30-F113 HydrophobicContact CB-CE2 3.75Å; I31-F113 PolarHBondContact O-N 3.41Å; V33-F113 PolarHBondContact N-O 3.2Å; C111-F113 HydrophobicContact CB-CD2 4.44Å; C111-F113 HydrophobicContact CB-CE2 3.56Å; C111-F113 HydrophobicContact CB-CZ 3.85Å
114	T	30	Very low	29.8	Very low	98 Å²	98	112.4 Å²	112.4	60%	0.601	56%	0.557	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96	111.6	171.5	-42.5	0	0	0	0	107.9	E116	T114-E116 PolarHBondContact O-N 3.41Å
115	F	27.8	Very low	29.6	Very low	143 Å²	143	109 Å²	109	63%	0.627	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	98.6	171.3	-104.6	-89.7	0	0	0	108.9	V33	V33-F115 PolarHBondContact O-N 2.96Å; V33-F115 VanDerWaalsContact O-N 3.11Å
116	E	24.9	Very low	29.5	Very low	159 Å²	159	110 Å²	110	74%	0.743	55%	0.548	S	S	*	.			trans	-86	142	168	-129.1	179.3	-172.7	0	0	110.3	T114 K118	T114-E116 PolarHBondContact O-N 3.41Å; E116-K118 PolarHBondContact O-N 3.36Å
117	Y	24.8	Very low	29.3	Very low	198 Å²	198	110.5 Å²	110.5	78%	0.776	56%	0.556	S	S	*	*	S	Bend	trans	-74.6	59.2	-170.7	-134.8	-88.8	0	0	0	111.6
118	K	21.4	Very low	28.8	Very low	195 Å²	195	113.4 Å²	113.4	85%	0.848	57%	0.57	S	S	*	*	S	Bend	trans	179.8	131.5	162	-101.3	160.3	-174.9	-176.2	0	108.1	E116 K120	E116-K118 PolarHBondContact O-N 3.36Å; K118-K120 PolarHBondContact O-N 2.82Å
119	I	29.6	Very low	28.3	Very low	165 Å²	165	112.7 Å²	112.7	85%	0.846	57%	0.573	S	S	*	*	S	Bend	trans	-40.5	115.9	-175.9	-64.9	159.2	0	0	0	114.3
120	K	19.8	Very low	27.7	Very low	183 Å²	183	114.7 Å²	114.7	80%	0.796	59%	0.589	S	S	*	*			trans	160.1	142.8	132	-93.7	171.1	-178.5	-179.7	0	110.9	K118	K118-K120 PolarHBondContact O-N 2.82Å
121	S	24.7	Very low	27	Very low	109 Å²	109	120.6 Å²	120.6	76%	0.762	62%	0.615	S	S	*	*			trans	69.6	152.6	164.9	51.4	0	0	0	0	116.9
122	C	25.2	Very low	26.4	Very low	99 Å²	99	126 Å²	126	67%	0.669	65%	0.648	S	S	*	*			cis	-150	139.8	25.6	-129.8	0	0	0	0	111
123	F	29.8	Very low	26.2	Very low	206 Å²	206	133.1 Å²	133.1	90%	0.904	68%	0.679	S	S	*	*			trans	-90.1	123.2	172.9	-110.4	-99.3	0	0	0	109.1
124	S	27.2	Very low	25.9	Very low	74 Å²	74	136.7 Å²	136.7	52%	0.517	70%	0.7	S	S	.	*			trans	-161.5	68.5	160.8	42.3	0	0	0	0	110.1	F126	S124-F126 PolarHBondContact O-N 2.96Å
125	C	30.5	Very low	25.7	Very low	64 Å²	64	138.7 Å²	138.7	43%	0.432	71%	0.705	S	S	.	*			trans	-78.6	114.3	151.5	-78	0	0	0	0	107	C111 H127	C111-C125 HydrophobicContact CB-CB 4.49Å; C111-C125 WeakPolarHBondContact CB-SG 3.47Å; C111-C125 WeakPolarHBondContact SG-CA 3.5Å; C111-C125 WeakPolarHBondContact SG-CB 3.46Å; C111-C125 CovalentContact SG-SG 2.07Å; C111-C125 PolarHBondContact SG-SG 3.08Å; C125-H127 PolarHBondContact O-N 2.83Å
126	F	27.6	Very low	25.6	Very low	123 Å²	123	138.5 Å²	138.5	54%	0.539	71%	0.709	S	S	.	*			trans	-61.5	99.6	174.3	-85.2	-89.5	0	0	0	108.5	F109 S124 L128	F109-F126 VanDerWaalsContact CD1-O 3.28Å; F109-F126 WeakPolarHBondContact CD1-O 3.49Å; F109-F126 WeakPolarHBondContact CE1-O 3.45Å; S124-F126 PolarHBondContact O-N 2.96Å; F126-L128 PolarHBondContact O-N 3.08Å
127	H	27.9	Very low	25.6	Very low	158 Å²	158	137.3 Å²	137.3	73%	0.731	71%	0.707	S	S	*	*			trans	-86.7	94.8	169.8	-164.2	-93.7	0	0	0	107.9	C125 S129	C125-H127 PolarHBondContact O-N 2.83Å; H127-S129 VanDerWaalsContact C-N 3.34Å; H127-S129 WeakPolarHBondContact CE1-CB 3.34Å; H127-S129 PolarHBondContact CE1-OG 3.41Å; H127-S129 PolarHBondContact ND1-OG 2.99Å; H127-S129 PolarHBondContact O-N 3.39Å
128	L	23.9	Very low	25.7	Very low	85 Å²	85	133.5 Å²	133.5	45%	0.445	70%	0.703	S	S	.	*			trans	-94.5	72.7	163.6	-103.9	149.8	0	0	0	107.9	F126 T130	F126-L128 PolarHBondContact O-N 3.08Å; L128-T130 VanDerWaalsContact C-N 3.34Å; L128-T130 PolarHBondContact O-N 3.24Å; L128-T130 VanDerWaalsContact O-N 3.08Å
129	S	23.4	Very low	26	Very low	68 Å²	68	129.4 Å²	129.4	48%	0.476	69%	0.693	S	S	.	*			trans	-68.7	100.9	157.2	54.2	0	0	0	0	107.3	H127 H131	H127-S129 VanDerWaalsContact C-N 3.34Å; H127-S129 WeakPolarHBondContact CE1-CB 3.34Å; H127-S129 PolarHBondContact CE1-OG 3.41Å; H127-S129 PolarHBondContact ND1-OG 2.99Å; H127-S129 PolarHBondContact O-N 3.39Å; S129-H131 VanDerWaalsContact C-N 3.3Å; S129-H131 PolarHBondContact O-N 3.3Å; S129-H131 VanDerWaalsContact O-N 3.08Å
130	T	24	Very low	25.7	Very low	84 Å²	84	126.9 Å²	126.9	52%	0.515	68%	0.682	S	S	.	*			trans	-71.7	94.6	159	33.6	0	0	0	0	106.9	L128 T132	L128-T130 VanDerWaalsContact C-N 3.34Å; L128-T130 PolarHBondContact O-N 3.24Å; L128-T130 VanDerWaalsContact O-N 3.08Å; T130-T132 VanDerWaalsContact C-N 3.26Å; T130-T132 PolarHBondContact O-N 3.23Å; T130-T132 VanDerWaalsContact O-N 3.08Å
131	H	22.2	Very low	26.2	Very low	173 Å²	173	122.5 Å²	122.5	80%	0.801	67%	0.674	S	S	*	*			trans	-66.7	96.5	153.1	-91.1	-75.4	0	0	0	106.5	S129	S129-H131 VanDerWaalsContact C-N 3.3Å; S129-H131 PolarHBondContact O-N 3.3Å; S129-H131 VanDerWaalsContact O-N 3.08Å
132	T	24.4	Very low	26.3	Very low	119 Å²	119	123.7 Å²	123.7	73%	0.73	67%	0.666	S	S	*	*			trans	-89.7	104.1	159.1	46.8	0	0	0	0	107	T130	T130-T132 VanDerWaalsContact C-N 3.26Å; T130-T132 PolarHBondContact O-N 3.23Å; T130-T132 VanDerWaalsContact O-N 3.08Å
133	N	29.4	Very low	26.4	Very low	231 Å²	231	125.9 Å²	125.9	100%	1.235	67%	0.666	S	S	*	*			trans	-88.2	0	145.1	-82.5	-5.3	0	0	0	107.5

Retrieved 133 of 133 residues in 81.3 ms (Link to these results)

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