A0A3Q0KHT7_SCHMA Loading...

Regulator of chromosome condensation-related

AlphaFold DB , UniProt , Accession A0A3Q0KHT7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 249 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	44	Very low	42.1	Very low	123 Å²	123	95.6 Å²	95.6	61%	0.606	50%	0.504	S	S	*	.				0	134.3	0	-173.6	-176.3	-74	0	0	108.2	L10 T11 F28 V35	M1-L10 HydrophobicContact CE-CD1 4.34Å; M1-L10 HydrophobicContact CG-CB 4.24Å; M1-L10 HydrophobicContact CG-CD2 4.1Å; M1-L10 HydrophobicContact SD-CB 4.16Å; M1-L10 HydrophobicContact SD-CD1 3.67Å; M1-L10 HydrophobicContact SD-CD2 3.74Å; M1-L10 HydrophobicContact SD-CG 4.06Å; M1-T11 WeakPolarHBondContact CA-O 3.36Å; M1-T11 WeakPolarHBondContact CG-O 3.33Å; M1-F28 HydrophobicContact CE-CZ 4.38Å; M1-V35 HydrophobicContact CE-CB 3.61Å; M1-V35 HydrophobicContact CE-CG1 3.13Å; M1-V35 HydrophobicContact CE-CG2 3.83Å
2	K	36.9	Very low	42	Very low	162 Å²	162	89.1 Å²	89.1	70%	0.704	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119	136.7	174.5	-172.9	179.4	176.7	-173.2	0	107.9	T11	K2-T11 PolarHBondContact N-O 2.96Å; K2-T11 PolarHBondContact O-N 3.37Å
3	I	41.3	Very low	41.8	Very low	117 Å²	117	85 Å²	85	60%	0.6	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	120.5	171.4	-49.8	-173.6	0	0	0	106.5	L10	I3-L10 HydrophobicContact CB-CD2 4.39Å; I3-L10 HydrophobicContact CD1-CD2 4.27Å; I3-L10 HydrophobicContact CG1-CD2 3.64Å
4	S	40.1	Very low	41.6	Very low	39 Å²	39	82.8 Å²	82.8	27%	0.273	46%	0.463	S	S	.	.			trans	-69.7	132.6	167	163.5	0	0	0	0	108.5	E6 S7 V9	S4-E6 VanDerWaalsContact C-N 3.31Å; S4-E6 PolarHBondContact OG-N 2.8Å; S4-S7 CarbonylContact C-O 3.58Å; S4-S7 VanDerWaalsContact CB-O 3.26Å; S4-S7 WeakPolarHBondContact CB-O 3.41Å; S4-S7 WeakPolarHBondContact CB-OG 3.39Å; S4-S7 PolarHBondContact OG-N 2.88Å; S4-S7 VanDerWaalsContact OG-N 3.15Å; S4-S7 PolarHBondContact OG-O 3.05Å; S4-S7 PolarHBondContact OG-OG 2.9Å; S4-V9 PolarHBondContact N-O 3.25Å
5	T	46.7	Very low	41.4	Very low	143 Å²	143	80.8 Å²	80.8	88%	0.877	45%	0.446	S	S	*	.	S	Bend	trans	-78.4	-20.4	176.2	47.7	0	0	0	0	112.4
6	E	48	Very low	41	Very low	191 Å²	191	85.6 Å²	85.6	89%	0.893	46%	0.455	S	S	*	.	S	Bend	trans	-92.4	-21.6	-176.1	-64.9	-174.7	173.3	0	0	112.5	S4	S4-E6 VanDerWaalsContact C-N 3.31Å; S4-E6 PolarHBondContact OG-N 2.8Å
7	S	44.7	Very low	40.6	Very low	46 Å²	46	84.6 Å²	84.6	32%	0.322	45%	0.447	S	S	.	.	S	Bend	trans	-137.3	125.4	175.4	59	0	0	0	0	106.9	S4 V9	S4-S7 CarbonylContact C-O 3.58Å; S4-S7 VanDerWaalsContact CB-O 3.26Å; S4-S7 WeakPolarHBondContact CB-O 3.41Å; S4-S7 WeakPolarHBondContact CB-OG 3.39Å; S4-S7 PolarHBondContact OG-N 2.88Å; S4-S7 VanDerWaalsContact OG-N 3.15Å; S4-S7 PolarHBondContact OG-O 3.05Å; S4-S7 PolarHBondContact OG-OG 2.9Å; S7-V9 PolarHBondContact O-N 2.68Å
8	L	48.7	Very low	40.7	Very low	144 Å²	144	89.3 Å²	89.3	75%	0.754	47%	0.465	S	S	*	.	S	Bend	trans	-63.7	64	171.3	-86.5	143.6	0	0	0	109.5	P30	L8-P30 WeakPolarHBondContact O-CD 3.5Å
9	V	37.7	Very low	40.9	Very low	27 Å²	27	89.4 Å²	89.4	16%	0.164	47%	0.467	C	S	.	.			trans	-131.9	125.6	-168.9	172.2	0	0	0	0	105.3	S4 S7 E27 F28	S4-V9 PolarHBondContact N-O 3.25Å; S7-V9 PolarHBondContact O-N 2.68Å; V9-E27 HydrophobicContact CG1-CB 3.46Å; V9-E27 VanDerWaalsContact CG1-CB 3.46Å; V9-E27 HydrophobicContact CG1-CG 3.75Å; V9-F28 WeakPolarHBondContact CA-O 3.48Å
10	L	37.1	Very low	40.8	Very low	22 Å²	22	85.9 Å²	85.9	12%	0.115	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	135.2	174.5	-65.6	178.8	0	0	0	108.2	M1 I3 F28 P30 V35	M1-L10 HydrophobicContact CE-CD1 4.34Å; M1-L10 HydrophobicContact CG-CB 4.24Å; M1-L10 HydrophobicContact CG-CD2 4.1Å; M1-L10 HydrophobicContact SD-CB 4.16Å; M1-L10 HydrophobicContact SD-CD1 3.67Å; M1-L10 HydrophobicContact SD-CD2 3.74Å; M1-L10 HydrophobicContact SD-CG 4.06Å; I3-L10 HydrophobicContact CB-CD2 4.39Å; I3-L10 HydrophobicContact CD1-CD2 4.27Å; I3-L10 HydrophobicContact CG1-CD2 3.64Å; L10-F28 HydrophobicContact CB-CD2 4.12Å; L10-F28 HydrophobicContact CB-CE1 4.01Å; L10-F28 HydrophobicContact CB-CE2 3.44Å; L10-F28 VanDerWaalsContact CB-CE2 3.44Å; L10-F28 HydrophobicContact CB-CZ 3.36Å; L10-F28 HydrophobicContact CD1-CE2 3.72Å; L10-F28 HydrophobicContact CD1-CZ 4.12Å; L10-F28 HydrophobicContact CG-CE2 4.11Å; L10-F28 HydrophobicContact CG-CZ 4.37Å; L10-F28 PolarHBondContact N-O 2.94Å; L10-F28 VanDerWaalsContact O-CD1 3.28Å; L10-F28 WeakPolarHBondContact O-CD1 3.14Å; L10-F28 VanDerWaalsContact O-CE1 3.28Å; L10-F28 WeakPolarHBondContact O-CE1 3.2Å; L10-F28 PolarHBondContact O-N 2.79Å; L10-P30 HydrophobicContact CD1-CB 3.72Å; L10-P30 HydrophobicContact CD1-CG 4.48Å; L10-P30 HydrophobicContact CG-CB 4.06Å; L10-P30 HydrophobicContact CG-CG 4.3Å; L10-V35 HydrophobicContact CD1-CG2 4.11Å
11	T	38.2	Very low	40.8	Very low	38 Å²	38	86.9 Å²	86.9	23%	0.233	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	115.9	167.3	-38.9	0	0	0	0	108	M1 K2	M1-T11 WeakPolarHBondContact CA-O 3.36Å; M1-T11 WeakPolarHBondContact CG-O 3.33Å; K2-T11 PolarHBondContact N-O 2.96Å; K2-T11 PolarHBondContact O-N 3.37Å
12	S	40.7	Very low	40.5	Very low	17 Å²	17	89.5 Å²	89.5	12%	0.119	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-70.4	158.4	173.3	68.6	0	0	0	0	110.4
13	G	39.9	Very low	40.7	Very low	36 Å²	36	86.9 Å²	86.9	37%	0.371	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-51.5	149.8	-174.1	0	0	0	0	0	113.3	Y15	G13-Y15 PolarHBondContact O-N 3.46Å
14	A	38.6	Very low	40.8	Very low	54 Å²	54	85.4 Å²	85.4	45%	0.446	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-62.7	134.2	172.9	0	0	0	0	0	109	W22	A14-W22 HydrophobicContact CB-CD2 4.49Å; A14-W22 HydrophobicContact CB-CE3 3.53Å; A14-W22 HydrophobicContact CB-CZ3 4.02Å; A14-W22 WeakPolarHBondContact O-CZ3 3.45Å
15	Y	38.9	Very low	41.1	Very low	53 Å²	53	85.8 Å²	85.8	21%	0.208	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	148.4	166.6	68.5	-100.1	0	0	0	110.6	G13 K23 T25 L57	G13-Y15 PolarHBondContact O-N 3.46Å; Y15-K23 PolarHBondContact N-O 2.74Å; Y15-K23 VanDerWaalsContact N-O 3.16Å; Y15-K23 PolarHBondContact O-N 2.92Å; Y15-K23 VanDerWaalsContact O-N 3.09Å; Y15-T25 HydrophobicContact CE1-CG2 4.35Å; Y15-T25 WeakPolarHBondContact CE1-OG1 3.36Å; Y15-T25 PolarHBondContact OH-OG1 3.36Å; Y15-L57 HydrophobicContact CD2-CD2 3.75Å; Y15-L57 HydrophobicContact CD2-CG 4.27Å; Y15-L57 HydrophobicContact CG-CD2 3.93Å; Y15-L57 HydrophobicContact CG-CG 4.02Å
16	R	34.9	Very low	41.2	Very low	157 Å²	157	81.6 Å²	81.6	59%	0.592	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	113.4	-178.9	-166.8	176.5	-173	-159.9	-5.7	108	G20 W22	R16-G20 PolarHBondContact NE-O 3.08Å; R16-W22 HydrophobicContact CB-CD2 4.47Å; R16-W22 HydrophobicContact CB-CE3 4.37Å
17	H	34	Very low	41.3	Very low	70 Å²	70	79.8 Å²	79.8	32%	0.324	41%	0.413	S	S	.	.			trans	-68.6	160.3	172.3	-174.5	-110.9	0	0	0	109.5	D19 G20 D21	H17-D19 VanDerWaalsContact CB-OD1 3.32Å; H17-D19 WeakPolarHBondContact CB-OD1 3.37Å; H17-D19 IonicContact CE1-OD1 3.98Å; H17-D19 IonicContact CE1-OD2 3.46Å; H17-D19 PolarHBondContact CE1-OD2 3.18Å; H17-D19 IonicContact CG-OD1 3.42Å; H17-D19 IonicContact ND1-OD1 2.81Å; H17-D19 PolarHBondContact ND1-OD1 3.34Å; H17-D19 IonicContact ND1-OD2 2.88Å; H17-D19 PolarHBondContact ND1-OD2 3.43Å; H17-D19 PolarHBondContact O-N 3.04Å; H17-D19 VanDerWaalsContact O-N 3.08Å; H17-G20 WeakPolarHBondContact O-CA 3.27Å; H17-G20 PolarHBondContact O-N 3.08Å; H17-D21 PolarHBondContact N-O 2.83Å
18	H	41.4	Very low	41.7	Very low	168 Å²	168	78.2 Å²	78.2	78%	0.778	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20	-173	70.2	-87.9	0	0	0	113.8	G20	H18-G20 VanDerWaalsContact C-N 3.26Å
19	D	45.7	Very low	42	Very low	91 Å²	91	74.9 Å²	74.9	49%	0.487	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-1.7	173.1	56	8.9	0	0	0	113.6	H17	H17-D19 VanDerWaalsContact CB-OD1 3.32Å; H17-D19 WeakPolarHBondContact CB-OD1 3.37Å; H17-D19 IonicContact CE1-OD1 3.98Å; H17-D19 IonicContact CE1-OD2 3.46Å; H17-D19 PolarHBondContact CE1-OD2 3.18Å; H17-D19 IonicContact CG-OD1 3.42Å; H17-D19 IonicContact ND1-OD1 2.81Å; H17-D19 PolarHBondContact ND1-OD1 3.34Å; H17-D19 IonicContact ND1-OD2 2.88Å; H17-D19 PolarHBondContact ND1-OD2 3.43Å; H17-D19 PolarHBondContact O-N 3.04Å; H17-D19 VanDerWaalsContact O-N 3.08Å
20	G	39.4	Very low	42.9	Very low	20 Å²	20	76 Å²	76	21%	0.206	39%	0.392	C	S	.	.	S	Bend	trans	95.5	-8.1	167.2	0	0	0	0	0	115.4	R16 H17 H18	R16-G20 PolarHBondContact NE-O 3.08Å; H17-G20 WeakPolarHBondContact O-CA 3.27Å; H17-G20 PolarHBondContact O-N 3.08Å; H18-G20 VanDerWaalsContact C-N 3.26Å
21	D	39	Very low	44	Very low	107 Å²	107	79.2 Å²	79.2	57%	0.572	42%	0.416	S	S	*	.			trans	-78.7	133.5	177	-77.2	-25.2	0	0	0	111.2	H17 K23	H17-D21 PolarHBondContact N-O 2.83Å; D21-K23 PolarHBondContact O-N 3.02Å
22	W	39.6	Very low	45	Very low	177 Å²	177	81.4 Å²	81.4	67%	0.67	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	117.2	169.4	-72.8	97.8	0	0	0	108.6	A14 R16	A14-W22 HydrophobicContact CB-CD2 4.49Å; A14-W22 HydrophobicContact CB-CE3 3.53Å; A14-W22 HydrophobicContact CB-CZ3 4.02Å; A14-W22 WeakPolarHBondContact O-CZ3 3.45Å; R16-W22 HydrophobicContact CB-CD2 4.47Å; R16-W22 HydrophobicContact CB-CE3 4.37Å
23	K	39.6	Very low	45.9	Very low	107 Å²	107	81.6 Å²	81.6	47%	0.465	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125.5	167.6	-61.1	-172.4	176	176.5	0	109.3	Y15 D21 T25	Y15-K23 PolarHBondContact N-O 2.74Å; Y15-K23 VanDerWaalsContact N-O 3.16Å; Y15-K23 PolarHBondContact O-N 2.92Å; Y15-K23 VanDerWaalsContact O-N 3.09Å; D21-K23 PolarHBondContact O-N 3.02Å; K23-T25 HydrophobicContact CB-CG2 3.34Å; K23-T25 HydrophobicContact CD-CG2 4.09Å; K23-T25 HydrophobicContact CG-CG2 4.35Å
24	S	44.4	Very low	46.8	Very low	86 Å²	86	83 Å²	83	60%	0.601	43%	0.426	S	S	*	.			trans	-88.7	98.7	160.7	55.1	0	0	0	0	106.5
25	T	46.2	Very low	47.6	Very low	47 Å²	47	82.6 Å²	82.6	29%	0.288	42%	0.418	S	S	.	.			trans	-101.8	-11	-158.4	37.9	0	0	0	0	116.9	Y15 K23	Y15-T25 HydrophobicContact CE1-CG2 4.35Å; Y15-T25 WeakPolarHBondContact CE1-OG1 3.36Å; Y15-T25 PolarHBondContact OH-OG1 3.36Å; K23-T25 HydrophobicContact CB-CG2 3.34Å; K23-T25 HydrophobicContact CD-CG2 4.09Å; K23-T25 HydrophobicContact CG-CG2 4.35Å
26	F	47.9	Very low	48.4	Very low	55 Å²	55	82 Å²	82	24%	0.241	42%	0.416	C	S	.	.			trans	-136.2	115	-176.5	-67.1	-81.5	0	0	0	112.7	F28 L43 V55	F26-F28 HydrophobicContact CB-CD1 4.34Å; F26-L43 HydrophobicContact CB-CD2 4.12Å; F26-V55 HydrophobicContact CD2-CG1 3.98Å; F26-V55 HydrophobicContact CE2-CG1 3.56Å; F26-V55 HydrophobicContact CZ-CG1 4Å
27	E	50.3	Low	49.2	Very low	153 Å²	153	77.5 Å²	77.5	72%	0.715	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	118.8	157.2	-81.3	-176.2	-166.4	0	0	107.3	V9	V9-E27 HydrophobicContact CG1-CB 3.46Å; V9-E27 VanDerWaalsContact CG1-CB 3.46Å; V9-E27 HydrophobicContact CG1-CG 3.75Å
28	F	53.3	Low	50.3	Low	13 Å²	13	75.7 Å²	75.7	6%	0.057	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	152.6	178.2	60.5	-90.2	0	0	0	112	M1 V9 L10 F26 C33 V35 L43	M1-F28 HydrophobicContact CE-CZ 4.38Å; V9-F28 WeakPolarHBondContact CA-O 3.48Å; L10-F28 HydrophobicContact CB-CD2 4.12Å; L10-F28 HydrophobicContact CB-CE1 4.01Å; L10-F28 HydrophobicContact CB-CE2 3.44Å; L10-F28 VanDerWaalsContact CB-CE2 3.44Å; L10-F28 HydrophobicContact CB-CZ 3.36Å; L10-F28 HydrophobicContact CD1-CE2 3.72Å; L10-F28 HydrophobicContact CD1-CZ 4.12Å; L10-F28 HydrophobicContact CG-CE2 4.11Å; L10-F28 HydrophobicContact CG-CZ 4.37Å; L10-F28 PolarHBondContact N-O 2.94Å; L10-F28 VanDerWaalsContact O-CD1 3.28Å; L10-F28 WeakPolarHBondContact O-CD1 3.14Å; L10-F28 VanDerWaalsContact O-CE1 3.28Å; L10-F28 WeakPolarHBondContact O-CE1 3.2Å; L10-F28 PolarHBondContact O-N 2.79Å; F26-F28 HydrophobicContact CB-CD1 4.34Å; F28-C33 HydrophobicContact CD2-CB 3.39Å; F28-C33 WeakPolarHBondContact CD2-SG 2.92Å; F28-C33 HydrophobicContact CE2-CB 3.75Å; F28-C33 HydrophobicContact CG-CB 4.28Å; F28-V35 HydrophobicContact CD2-CG2 4.37Å; F28-V35 HydrophobicContact CE2-CG2 3.17Å; F28-V35 HydrophobicContact CZ-CB 4.37Å; F28-V35 HydrophobicContact CZ-CG1 4.2Å; F28-V35 HydrophobicContact CZ-CG2 3.3Å; F28-L43 HydrophobicContact CD1-CD1 4.11Å; F28-L43 HydrophobicContact CD1-CD2 3.5Å; F28-L43 VanDerWaalsContact CD1-CD2 3.5Å; F28-L43 HydrophobicContact CD1-CG 4.46Å; F28-L43 HydrophobicContact CD2-CD1 4.32Å; F28-L43 HydrophobicContact CE1-CD1 3.67Å; F28-L43 HydrophobicContact CE1-CD2 3.59Å; F28-L43 HydrophobicContact CE1-CG 4.3Å; F28-L43 HydrophobicContact CE2-CD1 3.87Å; F28-L43 HydrophobicContact CG-CD1 4.42Å; F28-L43 HydrophobicContact CG-CD2 4.2Å; F28-L43 HydrophobicContact CZ-CD1 3.52Å; F28-L43 HydrophobicContact CZ-CD2 4.32Å
29	N	56.1	Low	50.9	Low	75 Å²	75	78.4 Å²	78.4	40%	0.401	41%	0.409	S	S	.	.			trans	-78.7	121.5	175.8	-173.2	-3.5	0	0	0	109.4	S31 D32	N29-S31 PolarHBondContact ND2-OG 3.34Å; N29-S31 PolarHBondContact O-N 2.77Å; N29-S31 VanDerWaalsContact O-N 3.15Å; N29-S31 PolarHBondContact OD1-N 3.15Å; N29-S31 PolarHBondContact OD1-OG 3.32Å; N29-D32 PolarHBondContact O-N 3.09Å; N29-D32 VanDerWaalsContact O-N 3.09Å
30	P	55.9	Low	51.4	Low	51 Å²	51	78 Å²	78	33%	0.331	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-59.1	-23	179.6	19.2	-28.2	0	0	0	114.1	L8 L10 D32	L8-P30 WeakPolarHBondContact O-CD 3.5Å; L10-P30 HydrophobicContact CD1-CB 3.72Å; L10-P30 HydrophobicContact CD1-CG 4.48Å; L10-P30 HydrophobicContact CG-CB 4.06Å; L10-P30 HydrophobicContact CG-CG 4.3Å; P30-D32 PolarHBondContact O-N 2.98Å
31	S	59.9	Low	52.1	Low	89 Å²	89	79.5 Å²	79.5	62%	0.622	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-65.8	-25.8	176.7	61.1	0	0	0	0	113.1	N29	N29-S31 PolarHBondContact ND2-OG 3.34Å; N29-S31 PolarHBondContact O-N 2.77Å; N29-S31 VanDerWaalsContact O-N 3.15Å; N29-S31 PolarHBondContact OD1-N 3.15Å; N29-S31 PolarHBondContact OD1-OG 3.32Å
32	D	60	Low	53.2	Low	83 Å²	83	74.8 Å²	74.8	44%	0.444	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-113.6	10.3	-169.4	-48.9	-30.1	0	0	0	111.3	N29 P30 C46	N29-D32 PolarHBondContact O-N 3.09Å; N29-D32 VanDerWaalsContact O-N 3.09Å; P30-D32 PolarHBondContact O-N 2.98Å; D32-C46 WeakPolarHBondContact O-CA 2.93Å; D32-C46 WeakPolarHBondContact O-CB 3.38Å; D32-C46 PolarHBondContact O-N 2.78Å
33	C	58	Low	54.2	Low	21 Å²	21	66.7 Å²	66.7	14%	0.142	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	132.5	-174.2	-65.6	0	0	0	0	111.1	F28 V35 L43 F44	F28-C33 HydrophobicContact CD2-CB 3.39Å; F28-C33 WeakPolarHBondContact CD2-SG 2.92Å; F28-C33 HydrophobicContact CE2-CB 3.75Å; F28-C33 HydrophobicContact CG-CB 4.28Å; C33-V35 HydrophobicContact CB-CG2 4.44Å; C33-L43 HydrophobicContact CB-CD1 4.44Å; C33-F44 CarbonylContact C-O 3.56Å; C33-F44 VanDerWaalsContact CA-O 3.3Å; C33-F44 WeakPolarHBondContact CA-O 3.23Å
34	L	59	Low	55.4	Low	67 Å²	67	61.6 Å²	61.6	35%	0.351	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	107	164.2	-162.7	113.1	0	0	0	107.6	F44 I70	L34-F44 HydrophobicContact CB-CB 4.39Å; L34-F44 PolarHBondContact N-O 2.71Å; L34-F44 WeakPolarHBondContact O-CB 3.33Å; L34-F44 PolarHBondContact O-N 2.94Å; L34-I70 HydrophobicContact CD2-CB 4.01Å; L34-I70 HydrophobicContact CD2-CD1 3.28Å; L34-I70 HydrophobicContact CD2-CG1 3.53Å
35	V	55.1	Low	56.3	Low	45 Å²	45	59.6 Å²	59.6	27%	0.273	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	117.9	-179.2	-162.6	0	0	0	0	110	M1 L10 F28 C33 L43	M1-V35 HydrophobicContact CE-CB 3.61Å; M1-V35 HydrophobicContact CE-CG1 3.13Å; M1-V35 HydrophobicContact CE-CG2 3.83Å; L10-V35 HydrophobicContact CD1-CG2 4.11Å; F28-V35 HydrophobicContact CD2-CG2 4.37Å; F28-V35 HydrophobicContact CE2-CG2 3.17Å; F28-V35 HydrophobicContact CZ-CB 4.37Å; F28-V35 HydrophobicContact CZ-CG1 4.2Å; F28-V35 HydrophobicContact CZ-CG2 3.3Å; C33-V35 HydrophobicContact CB-CG2 4.44Å; V35-L43 HydrophobicContact CB-CD1 4.03Å; V35-L43 HydrophobicContact CG1-CD1 3.71Å; V35-L43 HydrophobicContact CG2-CD1 3.68Å
36	F	57.1	Low	57.3	Low	39 Å²	39	59.1 Å²	59.1	17%	0.171	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	116.8	172.7	-176.2	-87.7	0	0	0	109.3	D38 S42 F44 I70 S72 L77	F36-D38 HydrophobicContact CE1-CB 3.74Å; F36-D38 VanDerWaalsContact CE1-OD2 3.27Å; F36-D38 WeakPolarHBondContact CE1-OD2 3.39Å; F36-D38 HydrophobicContact CZ-CB 4.44Å; F36-S42 PolarHBondContact N-O 3Å; F36-S42 CarbonylContact O-C 3.57Å; F36-S42 PolarHBondContact O-N 3.44Å; F36-F44 HydrophobicContact CB-CE2 4.46Å; F36-I70 HydrophobicContact CB-CG2 4.22Å; F36-I70 HydrophobicContact CD2-CB 4.18Å; F36-I70 HydrophobicContact CD2-CG2 3.83Å; F36-I70 HydrophobicContact CE2-CG2 4.45Å; F36-I70 WeakPolarHBondContact CE2-O 3.26Å; F36-I70 HydrophobicContact CG-CG2 3.9Å; F36-S72 WeakPolarHBondContact CE1-OG 3.38Å; F36-S72 VanDerWaalsContact CZ-CB 3.5Å; F36-S72 WeakPolarHBondContact CZ-OG 3.44Å; F36-L77 HydrophobicContact CD1-CD1 3.93Å; F36-L77 HydrophobicContact CE1-CD1 4.22Å; F36-L77 HydrophobicContact CG-CD1 4.42Å
37	A	50.7	Low	58.3	Low	63 Å²	63	61.2 Å²	61.2	52%	0.521	33%	0.328	S	S	.	.			trans	-106	110.9	-177.1	0	0	0	0	0	110.6
38	D	57.7	Low	59.2	Low	33 Å²	33	56.2 Å²	56.2	18%	0.176	31%	0.31	C	S	.	.	S	Bend	trans	-128.7	-179.3	165.8	73.9	77.1	0	0	0	110.8	F36 H40 C41 S72 K90	F36-D38 HydrophobicContact CE1-CB 3.74Å; F36-D38 VanDerWaalsContact CE1-OD2 3.27Å; F36-D38 WeakPolarHBondContact CE1-OD2 3.39Å; F36-D38 HydrophobicContact CZ-CB 4.44Å; D38-H40 PolarHBondContact O-N 2.91Å; D38-H40 VanDerWaalsContact O-N 3.08Å; D38-H40 VanDerWaalsContact OD1-C 3.26Å; D38-H40 WeakPolarHBondContact OD1-CA 3.3Å; D38-H40 WeakPolarHBondContact OD1-CB 3.42Å; D38-H40 PolarHBondContact OD1-N 3.15Å; D38-C41 PolarHBondContact O-N 2.82Å; D38-C41 PolarHBondContact O-SG 2.63Å; D38-S72 WeakPolarHBondContact CB-OG 3.26Å; D38-S72 VanDerWaalsContact CG-OG 3.24Å; D38-S72 PolarHBondContact OD2-OG 2.89Å; D38-K90 IonicContact OD1-NZ 3.44Å; D38-K90 PolarHBondContact OD1-NZ 2.97Å; D38-K90 IonicContact OD2-NZ 3.88Å; D38-K90 PolarHBondContact OD2-NZ 3.4Å
39	W	53.7	Low	59.9	Low	224 Å²	224	61 Å²	61	85%	0.848	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-25.6	178	-102.6	59.9	0	0	0	113.7
40	H	55.7	Low	60.5	Low	82 Å²	82	59.8 Å²	59.8	38%	0.38	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	44.6	175.1	-55.8	-65.9	0	0	0	111.4	D38 S42 K90	D38-H40 PolarHBondContact O-N 2.91Å; D38-H40 VanDerWaalsContact O-N 3.08Å; D38-H40 VanDerWaalsContact OD1-C 3.26Å; D38-H40 WeakPolarHBondContact OD1-CA 3.3Å; D38-H40 WeakPolarHBondContact OD1-CB 3.42Å; D38-H40 PolarHBondContact OD1-N 3.15Å; H40-S42 PolarHBondContact O-N 2.81Å; H40-K90 HydrophobicContact CB-CD 4.13Å
41	C	55.7	Low	61.2	Low	52 Å²	52	57.9 Å²	57.9	35%	0.351	33%	0.33	S	S	.	.			trans	-21.4	119.5	-177.9	-85.2	0	0	0	0	115	D38	D38-C41 PolarHBondContact O-N 2.82Å; D38-C41 PolarHBondContact O-SG 2.63Å
42	S	62.1	Low	61.7	Low	9 Å²	9	55.2 Å²	55.2	6%	0.063	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	106.3	177.3	-73.5	0	0	0	0	108.4	F36 H40 L54	F36-S42 PolarHBondContact N-O 3Å; F36-S42 CarbonylContact O-C 3.57Å; F36-S42 PolarHBondContact O-N 3.44Å; H40-S42 PolarHBondContact O-N 2.81Å; S42-L54 VanDerWaalsContact CB-CD1 3.49Å
43	L	60.6	Low	62	Low	6 Å²	6	55.3 Å²	55.3	3%	0.031	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	130.3	177.1	174.7	64.8	0	0	0	109.2	F26 F28 C33 V35 I45 V55	F26-L43 HydrophobicContact CB-CD2 4.12Å; F28-L43 HydrophobicContact CD1-CD1 4.11Å; F28-L43 HydrophobicContact CD1-CD2 3.5Å; F28-L43 VanDerWaalsContact CD1-CD2 3.5Å; F28-L43 HydrophobicContact CD1-CG 4.46Å; F28-L43 HydrophobicContact CD2-CD1 4.32Å; F28-L43 HydrophobicContact CE1-CD1 3.67Å; F28-L43 HydrophobicContact CE1-CD2 3.59Å; F28-L43 HydrophobicContact CE1-CG 4.3Å; F28-L43 HydrophobicContact CE2-CD1 3.87Å; F28-L43 HydrophobicContact CG-CD1 4.42Å; F28-L43 HydrophobicContact CG-CD2 4.2Å; F28-L43 HydrophobicContact CZ-CD1 3.52Å; F28-L43 HydrophobicContact CZ-CD2 4.32Å; C33-L43 HydrophobicContact CB-CD1 4.44Å; V35-L43 HydrophobicContact CB-CD1 4.03Å; V35-L43 HydrophobicContact CG1-CD1 3.71Å; V35-L43 HydrophobicContact CG2-CD1 3.68Å; L43-I45 HydrophobicContact CD2-CD1 4.15Å; L43-I45 HydrophobicContact CD2-CG1 4.08Å; L43-I45 HydrophobicContact CG-CG1 4.06Å; L43-V55 HydrophobicContact CB-CB 4.38Å; L43-V55 PolarHBondContact N-O 3.04Å; L43-V55 PolarHBondContact O-N 2.89Å
44	F	63.5	Low	62.6	Low	1 Å²	1	55 Å²	55	0%	0.004	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	118	171.9	-66.1	-101.8	0	0	0	111	C33 L34 F36 Y52 Y53 L54 L63 I70 L77 I79	C33-F44 CarbonylContact C-O 3.56Å; C33-F44 VanDerWaalsContact CA-O 3.3Å; C33-F44 WeakPolarHBondContact CA-O 3.23Å; L34-F44 HydrophobicContact CB-CB 4.39Å; L34-F44 PolarHBondContact N-O 2.71Å; L34-F44 WeakPolarHBondContact O-CB 3.33Å; L34-F44 PolarHBondContact O-N 2.94Å; F36-F44 HydrophobicContact CB-CE2 4.46Å; F44-Y52 HydrophobicContact CB-CD1 4.18Å; F44-Y53 CarbonylContact C-O 3.35Å; F44-Y53 WeakPolarHBondContact CA-O 3.45Å; F44-L54 HydrophobicContact CD1-CB 4.23Å; F44-L54 HydrophobicContact CD1-CD1 4.44Å; F44-L54 HydrophobicContact CD2-CD1 4.4Å; F44-L54 HydrophobicContact CE1-CB 3.98Å; F44-L54 HydrophobicContact CE1-CD1 3.97Å; F44-L54 HydrophobicContact CE1-CG 4.47Å; F44-L54 HydrophobicContact CE2-CD1 3.91Å; F44-L54 HydrophobicContact CZ-CD1 3.73Å; F44-L63 HydrophobicContact CD1-CD1 3.99Å; F44-L63 HydrophobicContact CE1-CD1 3.43Å; F44-L63 VanDerWaalsContact CE1-CD1 3.43Å; F44-I70 HydrophobicContact CD1-CD1 4.24Å; F44-I70 HydrophobicContact CD2-CD1 3.63Å; F44-I70 HydrophobicContact CE1-CD1 4.09Å; F44-I70 HydrophobicContact CE2-CD1 3.49Å; F44-I70 VanDerWaalsContact CE2-CD1 3.49Å; F44-I70 HydrophobicContact CE2-CG2 4.05Å; F44-I70 HydrophobicContact CG-CD1 3.97Å; F44-I70 HydrophobicContact CZ-CD1 3.68Å; F44-I70 HydrophobicContact CZ-CG2 4.4Å; F44-L77 HydrophobicContact CE1-CD2 4.31Å; F44-L77 HydrophobicContact CE2-CD1 4.13Å; F44-L77 HydrophobicContact CE2-CD2 3.61Å; F44-L77 HydrophobicContact CE2-CG 4.22Å; F44-L77 HydrophobicContact CZ-CD1 4.28Å; F44-L77 HydrophobicContact CZ-CD2 3.22Å; F44-L77 HydrophobicContact CZ-CG 3.88Å; F44-I79 HydrophobicContact CE1-CD1 3.51Å; F44-I79 HydrophobicContact CE1-CG1 4.33Å; F44-I79 HydrophobicContact CZ-CD1 3.66Å; F44-I79 HydrophobicContact CZ-CG1 4.06Å
45	I	63.3	Low	62.7	Low	43 Å²	43	52.3 Å²	52.3	22%	0.221	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.6	177.6	-56.1	178.3	0	0	0	108.3	L43 D47 Y52 Y53 V55	L43-I45 HydrophobicContact CD2-CD1 4.15Å; L43-I45 HydrophobicContact CD2-CG1 4.08Å; L43-I45 HydrophobicContact CG-CG1 4.06Å; I45-D47 PolarHBondContact O-N 2.97Å; I45-Y52 CarbonylContact O-C 3.56Å; I45-Y52 VanDerWaalsContact O-CA 3.23Å; I45-Y52 WeakPolarHBondContact O-CA 3.49Å; I45-Y53 PolarHBondContact N-O 3.36Å; I45-Y53 PolarHBondContact O-N 3.36Å; I45-V55 HydrophobicContact CD1-CG2 4.12Å; I45-V55 HydrophobicContact CG1-CG2 4.48Å
46	C	67.6	Low	63	Low	38 Å²	38	50.9 Å²	50.9	26%	0.257	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	118.2	174.9	-168.3	0	0	0	0	109.1	D32 S48 Y52	D32-C46 WeakPolarHBondContact O-CA 2.93Å; D32-C46 WeakPolarHBondContact O-CB 3.38Å; D32-C46 PolarHBondContact O-N 2.78Å; C46-S48 VanDerWaalsContact SG-C 3.53Å; C46-S48 PolarHBondContact SG-O 2.88Å; C46-Y52 HydrophobicContact CB-CD1 4.14Å; C46-Y52 HydrophobicContact CB-CE1 3.92Å
47	D	68.3	Low	62.9	Low	98 Å²	98	52.3 Å²	52.3	52%	0.524	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-36.3	168.8	-162.2	21.2	0	0	0	110.1	I45 S51 Y53 H62	I45-D47 PolarHBondContact O-N 2.97Å; D47-S51 PolarHBondContact N-O 3.05Å; D47-Y53 HydrophobicContact CB-CD2 3.96Å; D47-Y53 HydrophobicContact CB-CE2 3.42Å; D47-Y53 VanDerWaalsContact CB-CE2 3.42Å; D47-Y53 VanDerWaalsContact CG-CE2 3.41Å; D47-Y53 WeakPolarHBondContact OD2-CE2 3.28Å; D47-Y53 PolarHBondContact OD2-OH 3.34Å; D47-H62 IonicContact OD2-NE2 3.9Å
48	S	69.4	Low	63	Low	48 Å²	48	55.4 Å²	55.4	34%	0.336	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	167.5	176.4	84.3	0	0	0	0	110.3	C46 A50 S51	C46-S48 VanDerWaalsContact SG-C 3.53Å; C46-S48 PolarHBondContact SG-O 2.88Å; S48-A50 PolarHBondContact O-N 2.91Å; S48-A50 PolarHBondContact OG-N 3.49Å; S48-S51 WeakPolarHBondContact CB-OG 3.31Å; S48-S51 PolarHBondContact N-O 2.78Å; S48-S51 PolarHBondContact N-OG 3.21Å; S48-S51 PolarHBondContact O-N 3Å; S48-S51 VanDerWaalsContact O-O 3.09Å; S48-S51 PolarHBondContact OG-N 2.91Å; S48-S51 PolarHBondContact OG-OG 3.23Å
49	P	68.6	Low	63	Low	113 Å²	113	58.3 Å²	58.3	73%	0.734	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-17.1	-179.8	-25.5	34.1	0	0	0	115.7	T66	P49-T66 PolarHBondContact O-OG1 2.94Å
50	A	68.4	Low	63.6	Low	51 Å²	51	54.1 Å²	54.1	42%	0.421	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	13	179.5	0	0	0	0	0	113.9	S48 N64 L65 T66	S48-A50 PolarHBondContact O-N 2.91Å; S48-A50 PolarHBondContact OG-N 3.49Å; A50-N64 CarbonylContact O-C 3.42Å; A50-L65 CarbonylContact C-O 3.56Å; A50-L65 CarbonylContact O-C 3.42Å; A50-L65 PolarHBondContact O-N 2.79Å; A50-T66 WeakPolarHBondContact CA-OG1 3.31Å
51	S	70	Confident	64.2	Low	10 Å²	10	53 Å²	53	7%	0.07	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	128	178.6	62.5	0	0	0	0	112.6	D47 S48 H62 L63	D47-S51 PolarHBondContact N-O 3.05Å; S48-S51 WeakPolarHBondContact CB-OG 3.31Å; S48-S51 PolarHBondContact N-O 2.78Å; S48-S51 PolarHBondContact N-OG 3.21Å; S48-S51 PolarHBondContact O-N 3Å; S48-S51 VanDerWaalsContact O-O 3.09Å; S48-S51 PolarHBondContact OG-N 2.91Å; S48-S51 PolarHBondContact OG-OG 3.23Å; S51-H62 WeakPolarHBondContact CB-NE2 3.47Å; S51-L63 WeakPolarHBondContact CA-O 3.22Å
52	Y	70.7	Confident	65.1	Low	33 Å²	33	54.1 Å²	54.1	13%	0.129	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	143.9	176.9	-64.8	-94.9	0	0	0	110	F44 I45 C46 L63 L65 A67	F44-Y52 HydrophobicContact CB-CD1 4.18Å; I45-Y52 CarbonylContact O-C 3.56Å; I45-Y52 VanDerWaalsContact O-CA 3.23Å; I45-Y52 WeakPolarHBondContact O-CA 3.49Å; C46-Y52 HydrophobicContact CB-CD1 4.14Å; C46-Y52 HydrophobicContact CB-CE1 3.92Å; Y52-L63 PolarHBondContact N-O 2.83Å; Y52-L63 WeakPolarHBondContact O-CA 3.33Å; Y52-L63 VanDerWaalsContact O-CB 3.27Å; Y52-L63 WeakPolarHBondContact O-CB 3.37Å; Y52-L63 PolarHBondContact O-N 2.8Å; Y52-L65 WeakPolarHBondContact CD2-O 3.28Å; Y52-L65 WeakPolarHBondContact CE2-O 3.28Å; Y52-A67 HydrophobicContact CE2-CB 4.25Å
53	Y	67.7	Low	65.5	Low	86 Å²	86	54 Å²	54	34%	0.337	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	122	164	-67.8	-84.3	0	0	0	109.2	F44 I45 D47 V55 K61 H62	F44-Y53 CarbonylContact C-O 3.35Å; F44-Y53 WeakPolarHBondContact CA-O 3.45Å; I45-Y53 PolarHBondContact N-O 3.36Å; I45-Y53 PolarHBondContact O-N 3.36Å; D47-Y53 HydrophobicContact CB-CD2 3.96Å; D47-Y53 HydrophobicContact CB-CE2 3.42Å; D47-Y53 VanDerWaalsContact CB-CE2 3.42Å; D47-Y53 VanDerWaalsContact CG-CE2 3.41Å; D47-Y53 WeakPolarHBondContact OD2-CE2 3.28Å; D47-Y53 PolarHBondContact OD2-OH 3.34Å; Y53-V55 PolarHBondContact O-N 2.88Å; Y53-K61 WeakPolarHBondContact CA-O 3.48Å; Y53-H62 HydrophobicContact CD1-CB 4.01Å; Y53-H62 AromaticContact CD1-CD2 3.66Å; Y53-H62 HydrophobicContact CE1-CB 3.75Å; Y53-H62 AromaticContact CE1-CD2 3.2Å; Y53-H62 WeakPolarHBondContact CE1-CD2 3.41Å; Y53-H62 AromaticContact CE1-CG 3.76Å; Y53-H62 AromaticContact CE2-CD2 3.8Å; Y53-H62 AromaticContact CZ-CD2 3.24Å; Y53-H62 AromaticContact CZ-NE2 3.86Å
54	L	69.1	Low	66.2	Low	13 Å²	13	60 Å²	60	7%	0.068	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	117.3	162.3	171.7	61.6	0	0	0	108.3	S42 F44 E60 K61 L63 L77 I88	S42-L54 VanDerWaalsContact CB-CD1 3.49Å; F44-L54 HydrophobicContact CD1-CB 4.23Å; F44-L54 HydrophobicContact CD1-CD1 4.44Å; F44-L54 HydrophobicContact CD2-CD1 4.4Å; F44-L54 HydrophobicContact CE1-CB 3.98Å; F44-L54 HydrophobicContact CE1-CD1 3.97Å; F44-L54 HydrophobicContact CE1-CG 4.47Å; F44-L54 HydrophobicContact CE2-CD1 3.91Å; F44-L54 HydrophobicContact CZ-CD1 3.73Å; L54-E60 CarbonylContact O-C 3.52Å; L54-E60 WeakPolarHBondContact O-CA 3.37Å; L54-K61 PolarHBondContact N-O 2.74Å; L54-K61 PolarHBondContact O-N 3.35Å; L54-L63 HydrophobicContact CB-CD1 3.69Å; L54-L63 HydrophobicContact CB-CG 4.25Å; L54-L77 HydrophobicContact CD1-CD2 3.58Å; L54-L77 HydrophobicContact CD2-CD2 3.95Å; L54-L77 HydrophobicContact CG-CD2 4.43Å; L54-I88 HydrophobicContact CD2-CD1 4.11Å; L54-I88 HydrophobicContact CD2-CG2 4.17Å
55	V	62.4	Low	66.6	Low	12 Å²	12	61.3 Å²	61.3	7%	0.073	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	108.2	176.6	-177.3	0	0	0	0	107.8	F26 L43 I45 Y53 E60	F26-V55 HydrophobicContact CD2-CG1 3.98Å; F26-V55 HydrophobicContact CE2-CG1 3.56Å; F26-V55 HydrophobicContact CZ-CG1 4Å; L43-V55 HydrophobicContact CB-CB 4.38Å; L43-V55 PolarHBondContact N-O 3.04Å; L43-V55 PolarHBondContact O-N 2.89Å; I45-V55 HydrophobicContact CD1-CG2 4.12Å; I45-V55 HydrophobicContact CG1-CG2 4.48Å; Y53-V55 PolarHBondContact O-N 2.88Å; V55-E60 HydrophobicContact CG1-CG 4.33Å; V55-E60 HydrophobicContact CG2-CG 4.47Å
56	G	61.1	Low	67.2	Low	15 Å²	15	61.9 Å²	61.9	16%	0.155	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	178	179.6	0	0	0	0	0	112.7	L58 Q59	G56-L58 PolarHBondContact O-N 3Å; G56-Q59 PolarHBondContact N-O 2.83Å; G56-Q59 VanDerWaalsContact N-O 3.07Å
57	L	55.7	Low	67.3	Low	68 Å²	68	60.6 Å²	60.6	36%	0.356	33%	0.328	S	S	.	.	S	Bend	trans	-50.5	-29.5	179.8	-114.5	160.2	0	0	0	114.3	Y15	Y15-L57 HydrophobicContact CD2-CD2 3.75Å; Y15-L57 HydrophobicContact CD2-CG 4.27Å; Y15-L57 HydrophobicContact CG-CD2 3.93Å; Y15-L57 HydrophobicContact CG-CG 4.02Å
58	L	52.2	Low	67.5	Low	129 Å²	129	60.2 Å²	60.2	68%	0.675	33%	0.325	S	S	*	.	S	Bend	trans	-122.4	-10.8	-170.3	-63.1	175.2	0	0	0	115	G56	G56-L58 PolarHBondContact O-N 3Å
59	Q	58	Low	67.6	Low	93 Å²	93	59 Å²	59	44%	0.435	32%	0.316	S	S	.	.			trans	-161.1	143.2	-177.3	-161.4	167.8	41.2	0	0	113.1	G56 K61	G56-Q59 PolarHBondContact N-O 2.83Å; G56-Q59 VanDerWaalsContact N-O 3.07Å; Q59-K61 HydrophobicContact CG-CB 4.47Å
60	E	65.5	Low	67.8	Low	137 Å²	137	54.3 Å²	54.3	64%	0.64	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.2	159.6	-69.5	177.7	-172.1	0	0	108.2	L54 V55	L54-E60 CarbonylContact O-C 3.52Å; L54-E60 WeakPolarHBondContact O-CA 3.37Å; V55-E60 HydrophobicContact CG1-CG 4.33Å; V55-E60 HydrophobicContact CG2-CG 4.47Å
61	K	69.3	Low	68	Low	58 Å²	58	52 Å²	52	25%	0.252	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	126.6	-178.1	-167.7	170.1	-172.5	170.7	0	110.8	Y53 L54 Q59 L63 G93 I95	Y53-K61 WeakPolarHBondContact CA-O 3.48Å; L54-K61 PolarHBondContact N-O 2.74Å; L54-K61 PolarHBondContact O-N 3.35Å; Q59-K61 HydrophobicContact CG-CB 4.47Å; K61-L63 HydrophobicContact CD-CD2 4.44Å; K61-L63 HydrophobicContact CG-CD2 4.31Å; K61-G93 PolarHBondContact NZ-O 2.89Å; K61-I95 HydrophobicContact CD-CD1 4.36Å
62	H	72.6	Confident	68.1	Low	75 Å²	75	51.7 Å²	51.7	35%	0.347	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.9	171.5	-166.5	-119.9	0	0	0	110	D47 S51 Y53 N64	D47-H62 IonicContact OD2-NE2 3.9Å; S51-H62 WeakPolarHBondContact CB-NE2 3.47Å; Y53-H62 HydrophobicContact CD1-CB 4.01Å; Y53-H62 AromaticContact CD1-CD2 3.66Å; Y53-H62 HydrophobicContact CE1-CB 3.75Å; Y53-H62 AromaticContact CE1-CD2 3.2Å; Y53-H62 WeakPolarHBondContact CE1-CD2 3.41Å; Y53-H62 AromaticContact CE1-CG 3.76Å; Y53-H62 AromaticContact CE2-CD2 3.8Å; Y53-H62 AromaticContact CZ-CD2 3.24Å; Y53-H62 AromaticContact CZ-NE2 3.86Å; H62-N64 PolarHBondContact CE1-OD1 2.74Å; H62-N64 PolarHBondContact ND1-OD1 2.92Å
63	L	72	Confident	68.1	Low	7 Å²	7	50.6 Å²	50.6	4%	0.037	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	110.7	178.9	-57.5	175.2	0	0	0	108.2	F44 S51 Y52 L54 K61 L65 I79 I88	F44-L63 HydrophobicContact CD1-CD1 3.99Å; F44-L63 HydrophobicContact CE1-CD1 3.43Å; F44-L63 VanDerWaalsContact CE1-CD1 3.43Å; S51-L63 WeakPolarHBondContact CA-O 3.22Å; Y52-L63 PolarHBondContact N-O 2.83Å; Y52-L63 WeakPolarHBondContact O-CA 3.33Å; Y52-L63 VanDerWaalsContact O-CB 3.27Å; Y52-L63 WeakPolarHBondContact O-CB 3.37Å; Y52-L63 PolarHBondContact O-N 2.8Å; L54-L63 HydrophobicContact CB-CD1 3.69Å; L54-L63 HydrophobicContact CB-CG 4.25Å; K61-L63 HydrophobicContact CD-CD2 4.44Å; K61-L63 HydrophobicContact CG-CD2 4.31Å; L63-L65 HydrophobicContact CB-CD1 4.4Å; L63-L65 HydrophobicContact CB-CD2 3.83Å; L63-L65 HydrophobicContact CB-CG 3.81Å; L63-L65 HydrophobicContact CD2-CD2 4.44Å; L63-L65 PolarHBondContact O-N 2.86Å; L63-I79 HydrophobicContact CD1-CD1 3.85Å; L63-I88 HydrophobicContact CD1-CD1 3.76Å; L63-I88 HydrophobicContact CD2-CD1 3.74Å; L63-I88 HydrophobicContact CG-CD1 4.43Å
64	N	74.1	Confident	68.2	Low	132 Å²	132	50.2 Å²	50.2	71%	0.706	26%	0.264	S	S	*	.			trans	-82.1	63.4	176.1	-67.6	-24.2	0	0	0	110.3	A50 H62	A50-N64 CarbonylContact O-C 3.42Å; H62-N64 PolarHBondContact CE1-OD1 2.74Å; H62-N64 PolarHBondContact ND1-OD1 2.92Å
65	L	72.8	Confident	68.2	Low	28 Å²	28	51.9 Å²	51.9	15%	0.147	28%	0.277	C	S	.	.	S	Bend	trans	-145.7	150.6	-176.6	53.9	91.4	0	0	0	111.5	A50 Y52 L63 A67 I79 T81	A50-L65 CarbonylContact C-O 3.56Å; A50-L65 CarbonylContact O-C 3.42Å; A50-L65 PolarHBondContact O-N 2.79Å; Y52-L65 WeakPolarHBondContact CD2-O 3.28Å; Y52-L65 WeakPolarHBondContact CE2-O 3.28Å; L63-L65 HydrophobicContact CB-CD1 4.4Å; L63-L65 HydrophobicContact CB-CD2 3.83Å; L63-L65 HydrophobicContact CB-CG 3.81Å; L63-L65 HydrophobicContact CD2-CD2 4.44Å; L63-L65 PolarHBondContact O-N 2.86Å; L65-A67 HydrophobicContact CD1-CB 4.42Å; L65-I79 HydrophobicContact CD1-CB 4.49Å; L65-I79 HydrophobicContact CD1-CD1 4.15Å; L65-I79 HydrophobicContact CD1-CG2 3.61Å; L65-T81 HydrophobicContact CB-CG2 4.09Å; L65-T81 HydrophobicContact CD1-CG2 4.32Å
66	T	74.7	Confident	68.7	Low	55 Å²	55	53.4 Å²	53.4	34%	0.337	28%	0.281	S	S	.	.			trans	-95.6	111	172.1	-57.8	0	0	0	0	109.3	P49 A50 T81 P82	P49-T66 PolarHBondContact O-OG1 2.94Å; A50-T66 WeakPolarHBondContact CA-OG1 3.31Å; T66-T81 WeakPolarHBondContact O-CA 3.45Å; T66-T81 WeakPolarHBondContact O-CB 2.89Å; T66-T81 WeakPolarHBondContact O-CG2 3.46Å; T66-P82 WeakPolarHBondContact O-CD 3.22Å
67	A	71.8	Confident	69.3	Low	12 Å²	12	52.8 Å²	52.8	10%	0.099	27%	0.274	C	S	.	.			trans	-82.6	124.5	179.3	0	0	0	0	0	111.4	Y52 L65 I70 I79 A80	Y52-A67 HydrophobicContact CE2-CB 4.25Å; L65-A67 HydrophobicContact CD1-CB 4.42Å; A67-I70 HydrophobicContact CB-CD1 4.13Å; A67-I70 HydrophobicContact CB-CG1 4.25Å; A67-I79 HydrophobicContact CB-CG2 3.58Å; A67-A80 CarbonylContact C-O 3.47Å; A67-A80 WeakPolarHBondContact CA-O 3.28Å
68	L	72.2	Confident	70.2	Confident	90 Å²	90	50.5 Å²	50.5	47%	0.471	26%	0.261	S	S	.	.	S	Bend	trans	-88.6	-38.8	169.4	-66.2	-178	0	0	0	111.8	A80 P82	L68-A80 PolarHBondContact N-O 2.88Å; L68-P82 HydrophobicContact CD1-CB 4.37Å; L68-P82 HydrophobicContact CD1-CG 4.09Å; L68-P82 HydrophobicContact CD2-CG 4.25Å; L68-P82 HydrophobicContact CG-CG 4.14Å
69	S	71.5	Confident	71.4	Confident	22 Å²	22	44.3 Å²	44.3	15%	0.154	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	149	-176.9	-175.5	0	0	0	0	110	A80 V105	S69-A80 PolarHBondContact O-N 2.81Å; S69-V105 PolarHBondContact OG-N 3.11Å; S69-V105 PolarHBondContact OG-O 2.86Å
70	I	72.5	Confident	72.3	Confident	15 Å²	15	39.9 Å²	39.9	8%	0.077	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	133.4	-177.7	-55.4	-168.9	0	0	0	109.3	L34 F36 F44 A67 L77 F78 I79	L34-I70 HydrophobicContact CD2-CB 4.01Å; L34-I70 HydrophobicContact CD2-CD1 3.28Å; L34-I70 HydrophobicContact CD2-CG1 3.53Å; F36-I70 HydrophobicContact CB-CG2 4.22Å; F36-I70 HydrophobicContact CD2-CB 4.18Å; F36-I70 HydrophobicContact CD2-CG2 3.83Å; F36-I70 HydrophobicContact CE2-CG2 4.45Å; F36-I70 WeakPolarHBondContact CE2-O 3.26Å; F36-I70 HydrophobicContact CG-CG2 3.9Å; F44-I70 HydrophobicContact CD1-CD1 4.24Å; F44-I70 HydrophobicContact CD2-CD1 3.63Å; F44-I70 HydrophobicContact CE1-CD1 4.09Å; F44-I70 HydrophobicContact CE2-CD1 3.49Å; F44-I70 VanDerWaalsContact CE2-CD1 3.49Å; F44-I70 HydrophobicContact CE2-CG2 4.05Å; F44-I70 HydrophobicContact CG-CD1 3.97Å; F44-I70 HydrophobicContact CZ-CD1 3.68Å; F44-I70 HydrophobicContact CZ-CG2 4.4Å; A67-I70 HydrophobicContact CB-CD1 4.13Å; A67-I70 HydrophobicContact CB-CG1 4.25Å; I70-L77 HydrophobicContact CG2-CD1 3.48Å; I70-L77 VanDerWaalsContact CG2-CD1 3.48Å; I70-L77 HydrophobicContact CG2-CG 4.28Å; I70-F78 VanDerWaalsContact CA-O 3.31Å; I70-F78 WeakPolarHBondContact CA-O 3.5Å; I70-I79 HydrophobicContact CD1-CG1 4.28Å; I70-I79 HydrophobicContact CD1-CG2 4.4Å; I70-I79 HydrophobicContact CG1-CG1 4.35Å; I70-I79 HydrophobicContact CG1-CG2 4.21Å; I70-I79 HydrophobicContact CG2-CG1 4.49Å
71	G	72	Confident	72.8	Confident	1 Å²	1	34 Å²	34	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	161.3	168.3	0	0	0	0	0	110.3	F78	G71-F78 PolarHBondContact N-O 3.46Å; G71-F78 PolarHBondContact O-N 3Å
72	S	71.8	Confident	73.2	Confident	5 Å²	5	34.6 Å²	34.6	4%	0.035	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	148	173.4	96.3	0	0	0	0	111.4	F36 D38 W76 K90 S107	F36-S72 WeakPolarHBondContact CE1-OG 3.38Å; F36-S72 VanDerWaalsContact CZ-CB 3.5Å; F36-S72 WeakPolarHBondContact CZ-OG 3.44Å; D38-S72 WeakPolarHBondContact CB-OG 3.26Å; D38-S72 VanDerWaalsContact CG-OG 3.24Å; D38-S72 PolarHBondContact OD2-OG 2.89Å; S72-W76 CarbonylContact C-O 3.58Å; S72-W76 WeakPolarHBondContact CA-O 3.2Å; S72-W76 WeakPolarHBondContact CB-O 3.26Å; S72-K90 PolarHBondContact OG-NZ 3.46Å; S72-S107 WeakPolarHBondContact O-CB 3.33Å; S72-S107 PolarHBondContact O-OG 2.76Å
73	N	70.7	Confident	73.5	Confident	9 Å²	9	39 Å²	39	5%	0.048	21%	0.212	C	C	.	.			trans	-109.1	-172.9	162.9	65.5	24.3	0	0	0	111.3	S75 W76 K90 G109 H110 V112	N73-S75 PolarHBondContact O-N 3.02Å; N73-S75 PolarHBondContact OD1-N 2.81Å; N73-S75 VanDerWaalsContact OD1-N 3.08Å; N73-W76 PolarHBondContact N-O 3.37Å; N73-W76 PolarHBondContact OD1-N 3.36Å; N73-W76 PolarHBondContact OD1-O 3.47Å; N73-K90 WeakPolarHBondContact O-CE 3.33Å; N73-K90 PolarHBondContact O-NZ 2.87Å; N73-G109 CarbonylContact C-O 3.57Å; N73-G109 WeakPolarHBondContact CA-O 3.41Å; N73-G109 WeakPolarHBondContact CB-O 3.46Å; N73-H110 WeakPolarHBondContact CB-O 3.41Å; N73-H110 PolarHBondContact ND2-O 3.22Å; N73-H110 VanDerWaalsContact ND2-O 3.09Å; N73-V112 HydrophobicContact CB-CG2 4.37Å
74	D	69.6	Low	73.8	Confident	78 Å²	78	39.5 Å²	39.5	42%	0.417	22%	0.217	S	C	.	.	S	Bend	trans	-51.9	-27.8	-179.2	-69.1	-17.6	0	0	0	114.5	G109 H110	D74-G109 PolarHBondContact N-O 3.07Å; D74-H110 IonicContact OD2-CE1 3.92Å; D74-H110 IonicContact OD2-NE2 3.63Å
75	S	69.7	Low	74	Confident	48 Å²	48	33.5 Å²	33.5	34%	0.336	19%	0.185	S	C	.	.	S	Bend	trans	-119	-24.2	-171.2	-64.9	0	0	0	0	114.4	N73 K90	N73-S75 PolarHBondContact O-N 3.02Å; N73-S75 PolarHBondContact OD1-N 2.81Å; N73-S75 VanDerWaalsContact OD1-N 3.08Å; S75-K90 PolarHBondContact O-N 3.3Å
76	W	74	Confident	74.2	Confident	45 Å²	45	32.8 Å²	32.8	17%	0.17	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	145.1	-169.8	-70.9	71.9	0	0	0	111.7	S72 N73 F78 I88 E89 V96 K124	S72-W76 CarbonylContact C-O 3.58Å; S72-W76 WeakPolarHBondContact CA-O 3.2Å; S72-W76 WeakPolarHBondContact CB-O 3.26Å; N73-W76 PolarHBondContact N-O 3.37Å; N73-W76 PolarHBondContact OD1-N 3.36Å; N73-W76 PolarHBondContact OD1-O 3.47Å; W76-F78 HydrophobicContact CB-CD2 4.11Å; W76-F78 HydrophobicContact CB-CE2 3.4Å; W76-F78 HydrophobicContact CB-CZ 3.77Å; W76-F78 HydrophobicContact CG-CE2 4.42Å; W76-F78 HydrophobicContact CG-CZ 4.36Å; W76-I88 WeakPolarHBondContact CA-O 3.38Å; W76-E89 HydrophobicContact CD2-CB 4.12Å; W76-E89 HydrophobicContact CE3-CB 4.21Å; W76-E89 HydrophobicContact CH2-CB 3.86Å; W76-E89 HydrophobicContact CZ2-CB 3.75Å; W76-E89 HydrophobicContact CZ2-CG 3.99Å; W76-E89 HydrophobicContact CZ3-CB 4.08Å; W76-V96 HydrophobicContact CH2-CG2 3.84Å; W76-V96 HydrophobicContact CZ3-CB 4.28Å; W76-V96 HydrophobicContact CZ3-CG2 4Å; W76-K124 VanDerWaalsContact NE1-NZ 3.11Å
77	L	73.4	Confident	74.3	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.6	170.5	-175.8	61.1	0	0	0	108.1	F36 F44 L54 I70 G87 I88	F36-L77 HydrophobicContact CD1-CD1 3.93Å; F36-L77 HydrophobicContact CE1-CD1 4.22Å; F36-L77 HydrophobicContact CG-CD1 4.42Å; F44-L77 HydrophobicContact CE1-CD2 4.31Å; F44-L77 HydrophobicContact CE2-CD1 4.13Å; F44-L77 HydrophobicContact CE2-CD2 3.61Å; F44-L77 HydrophobicContact CE2-CG 4.22Å; F44-L77 HydrophobicContact CZ-CD1 4.28Å; F44-L77 HydrophobicContact CZ-CD2 3.22Å; F44-L77 HydrophobicContact CZ-CG 3.88Å; L54-L77 HydrophobicContact CD1-CD2 3.58Å; L54-L77 HydrophobicContact CD2-CD2 3.95Å; L54-L77 HydrophobicContact CG-CD2 4.43Å; I70-L77 HydrophobicContact CG2-CD1 3.48Å; I70-L77 VanDerWaalsContact CG2-CD1 3.48Å; I70-L77 HydrophobicContact CG2-CG 4.28Å; L77-G87 CarbonylContact O-C 3.59Å; L77-G87 VanDerWaalsContact O-CA 3.26Å; L77-G87 WeakPolarHBondContact O-CA 3.4Å; L77-I88 HydrophobicContact CB-CB 4.4Å; L77-I88 PolarHBondContact N-O 2.8Å; L77-I88 PolarHBondContact O-N 3.44Å
78	F	74.9	Confident	74.5	Confident	19 Å²	19	30.1 Å²	30.1	8%	0.083	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.4	-176.3	-66.5	-94.9	0	0	0	109	I70 G71 W76 I85 T86 V105 V112 L123 K124	I70-F78 VanDerWaalsContact CA-O 3.31Å; I70-F78 WeakPolarHBondContact CA-O 3.5Å; G71-F78 PolarHBondContact N-O 3.46Å; G71-F78 PolarHBondContact O-N 3Å; W76-F78 HydrophobicContact CB-CD2 4.11Å; W76-F78 HydrophobicContact CB-CE2 3.4Å; W76-F78 HydrophobicContact CB-CZ 3.77Å; W76-F78 HydrophobicContact CG-CE2 4.42Å; W76-F78 HydrophobicContact CG-CZ 4.36Å; F78-I85 HydrophobicContact CB-CD1 4.21Å; F78-I85 HydrophobicContact CD1-CD1 4.24Å; F78-T86 CarbonylContact C-O 3.54Å; F78-T86 WeakPolarHBondContact CA-O 3.2Å; F78-V105 HydrophobicContact CB-CG1 4.04Å; F78-V112 HydrophobicContact CB-CG1 4.11Å; F78-V112 HydrophobicContact CD2-CB 4.13Å; F78-V112 HydrophobicContact CD2-CG1 3.95Å; F78-V112 HydrophobicContact CD2-CG2 3.52Å; F78-V112 HydrophobicContact CE2-CB 4.17Å; F78-V112 HydrophobicContact CE2-CG1 4.45Å; F78-V112 HydrophobicContact CE2-CG2 3.49Å; F78-V112 VanDerWaalsContact CE2-CG2 3.49Å; F78-V112 HydrophobicContact CG-CG1 3.97Å; F78-V112 HydrophobicContact CG-CG2 4.36Å; F78-V112 HydrophobicContact CZ-CG2 4.35Å; F78-L123 HydrophobicContact CD1-CD1 4.13Å; F78-L123 HydrophobicContact CE1-CD1 4.42Å; F78-K124 HydrophobicContact CZ-CB 4.28Å; F78-K124 HydrophobicContact CZ-CD 4.21Å
79	I	76.1	Confident	74.5	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	113.3	-176.7	-52.5	170	0	0	0	107.5	F44 L63 L65 A67 I70 T81 I85 T86 I88	F44-I79 HydrophobicContact CE1-CD1 3.51Å; F44-I79 HydrophobicContact CE1-CG1 4.33Å; F44-I79 HydrophobicContact CZ-CD1 3.66Å; F44-I79 HydrophobicContact CZ-CG1 4.06Å; L63-I79 HydrophobicContact CD1-CD1 3.85Å; L65-I79 HydrophobicContact CD1-CB 4.49Å; L65-I79 HydrophobicContact CD1-CD1 4.15Å; L65-I79 HydrophobicContact CD1-CG2 3.61Å; A67-I79 HydrophobicContact CB-CG2 3.58Å; I70-I79 HydrophobicContact CD1-CG1 4.28Å; I70-I79 HydrophobicContact CD1-CG2 4.4Å; I70-I79 HydrophobicContact CG1-CG1 4.35Å; I70-I79 HydrophobicContact CG1-CG2 4.21Å; I70-I79 HydrophobicContact CG2-CG1 4.49Å; I79-T81 HydrophobicContact CG2-CG2 4.48Å; I79-I85 CarbonylContact O-C 3.56Å; I79-I85 WeakPolarHBondContact O-CA 3.21Å; I79-I85 WeakPolarHBondContact O-CG1 3.31Å; I79-T86 PolarHBondContact N-O 2.74Å; I79-T86 PolarHBondContact O-N 2.88Å; I79-I88 HydrophobicContact CD1-CD1 3.72Å
80	A	76.4	Confident	74.6	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	132.1	167.7	0	0	0	0	0	109.4	A67 L68 S69 V102 V105	A67-A80 CarbonylContact C-O 3.47Å; A67-A80 WeakPolarHBondContact CA-O 3.28Å; L68-A80 PolarHBondContact N-O 2.88Å; S69-A80 PolarHBondContact O-N 2.81Å; A80-V102 HydrophobicContact CB-CB 4.08Å; A80-V102 HydrophobicContact CB-CG1 3.84Å; A80-V105 HydrophobicContact CB-CG2 3.56Å
81	T	77.8	Confident	74.4	Confident	12 Å²	12	31.7 Å²	31.7	7%	0.074	17%	0.17	C	C	.	.			trans	-117.3	167	170.3	71.8	0	0	0	0	108	L65 T66 I79 E83 S84	L65-T81 HydrophobicContact CB-CG2 4.09Å; L65-T81 HydrophobicContact CD1-CG2 4.32Å; T66-T81 WeakPolarHBondContact O-CA 3.45Å; T66-T81 WeakPolarHBondContact O-CB 2.89Å; T66-T81 WeakPolarHBondContact O-CG2 3.46Å; I79-T81 HydrophobicContact CG2-CG2 4.48Å; T81-E83 PolarHBondContact O-N 3.19Å; T81-E83 VanDerWaalsContact O-N 3.08Å; T81-S84 WeakPolarHBondContact CA-O 3.36Å; T81-S84 WeakPolarHBondContact CB-O 3.31Å; T81-S84 PolarHBondContact N-O 3.16Å; T81-S84 PolarHBondContact OG1-N 2.9Å; T81-S84 PolarHBondContact OG1-O 3.39Å; T81-S84 PolarHBondContact OG1-OG 3.23Å
82	P	76.6	Confident	74.2	Confident	72 Å²	72	38.1 Å²	38.1	47%	0.468	20%	0.199	S	C	.	.	S	Bend	trans	-55.2	-28.5	178.5	-27	35.6	0	0	0	114.7	T66 L68	T66-P82 WeakPolarHBondContact O-CD 3.22Å; L68-P82 HydrophobicContact CD1-CB 4.37Å; L68-P82 HydrophobicContact CD1-CG 4.09Å; L68-P82 HydrophobicContact CD2-CG 4.25Å; L68-P82 HydrophobicContact CG-CG 4.14Å
83	E	79.1	Confident	74.1	Confident	166 Å²	166	38.2 Å²	38.2	78%	0.776	20%	0.201	S	C	*	.	S	Bend	trans	-111.2	-25.3	-172.7	-60	-175.8	173.8	0	0	113.6	T81 I100	T81-E83 PolarHBondContact O-N 3.19Å; T81-E83 VanDerWaalsContact O-N 3.08Å; E83-I100 CarbonylContact O-C 3.58Å; E83-I100 PolarHBondContact O-N 3.18Å
84	S	78.9	Confident	74.1	Confident	19 Å²	19	42 Å²	42	13%	0.133	22%	0.222	C	C	.	.			trans	-149.5	166.3	-169.5	71.9	0	0	0	0	112.5	T81 A98 I100	T81-S84 WeakPolarHBondContact CA-O 3.36Å; T81-S84 WeakPolarHBondContact CB-O 3.31Å; T81-S84 PolarHBondContact N-O 3.16Å; T81-S84 PolarHBondContact OG1-N 2.9Å; T81-S84 PolarHBondContact OG1-O 3.39Å; T81-S84 PolarHBondContact OG1-OG 3.23Å; S84-A98 CarbonylContact C-O 3.59Å; S84-A98 VanDerWaalsContact CA-O 3.31Å; S84-A98 WeakPolarHBondContact CA-O 3.44Å; S84-A98 VanDerWaalsContact CB-O 3.28Å; S84-A98 WeakPolarHBondContact CB-O 3.11Å; S84-I100 CarbonylContact C-O 3.53Å; S84-I100 VanDerWaalsContact CA-O 3.31Å; S84-I100 WeakPolarHBondContact CA-O 3.42Å
85	I	77	Confident	74.4	Confident	6 Å²	6	42 Å²	42	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	133.3	162.9	-166.2	179.6	0	0	0	110.1	F78 I79 S97 A98 V102 V105 C114 L123	F78-I85 HydrophobicContact CB-CD1 4.21Å; F78-I85 HydrophobicContact CD1-CD1 4.24Å; I79-I85 CarbonylContact O-C 3.56Å; I79-I85 WeakPolarHBondContact O-CA 3.21Å; I79-I85 WeakPolarHBondContact O-CG1 3.31Å; I85-S97 CarbonylContact O-C 3.53Å; I85-S97 WeakPolarHBondContact O-CA 3.46Å; I85-A98 HydrophobicContact CG2-CB 4.15Å; I85-A98 PolarHBondContact N-O 3.23Å; I85-A98 PolarHBondContact O-N 2.96Å; I85-V102 HydrophobicContact CB-CB 4.49Å; I85-V102 HydrophobicContact CB-CG2 4.14Å; I85-V102 HydrophobicContact CD1-CG2 4.45Å; I85-V102 HydrophobicContact CG2-CG2 4.39Å; I85-V105 HydrophobicContact CD1-CG2 4.14Å; I85-C114 VanDerWaalsContact CD1-SG 3.56Å; I85-L123 HydrophobicContact CD1-CD1 3.28Å
86	T	76.9	Confident	74.6	Confident	13 Å²	13	44 Å²	44	8%	0.08	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.3	179	-61	0	0	0	0	110.4	F78 I79 I88 I95	F78-T86 CarbonylContact C-O 3.54Å; F78-T86 WeakPolarHBondContact CA-O 3.2Å; I79-T86 PolarHBondContact N-O 2.74Å; I79-T86 PolarHBondContact O-N 2.88Å; T86-I88 HydrophobicContact CG2-CG1 4.2Å; T86-I95 HydrophobicContact CG2-CG2 3.56Å
87	G	78.3	Confident	74.7	Confident	6 Å²	6	45.4 Å²	45.4	6%	0.062	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	132.5	168	0	0	0	0	0	111.3	L77 I95 V96	L77-G87 CarbonylContact O-C 3.59Å; L77-G87 VanDerWaalsContact O-CA 3.26Å; L77-G87 WeakPolarHBondContact O-CA 3.4Å; G87-I95 WeakPolarHBondContact O-CA 3.29Å; G87-V96 PolarHBondContact N-O 2.87Å; G87-V96 PolarHBondContact O-N 2.92Å
88	I	75.3	Confident	74.7	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	119.5	174.7	-51.8	178.9	0	0	0	108	L54 L63 W76 L77 I79 T86 K90 N94 I95	L54-I88 HydrophobicContact CD2-CD1 4.11Å; L54-I88 HydrophobicContact CD2-CG2 4.17Å; L63-I88 HydrophobicContact CD1-CD1 3.76Å; L63-I88 HydrophobicContact CD2-CD1 3.74Å; L63-I88 HydrophobicContact CG-CD1 4.43Å; W76-I88 WeakPolarHBondContact CA-O 3.38Å; L77-I88 HydrophobicContact CB-CB 4.4Å; L77-I88 PolarHBondContact N-O 2.8Å; L77-I88 PolarHBondContact O-N 3.44Å; I79-I88 HydrophobicContact CD1-CD1 3.72Å; T86-I88 HydrophobicContact CG2-CG1 4.2Å; I88-K90 PolarHBondContact O-N 3.44Å; I88-N94 CarbonylContact C-O 3.6Å; I88-N94 WeakPolarHBondContact CA-O 3.38Å; I88-I95 HydrophobicContact CG1-CG1 4.24Å; I88-I95 HydrophobicContact CG2-CG1 4.37Å
89	E	73.1	Confident	74.8	Confident	31 Å²	31	53.2 Å²	53.2	15%	0.145	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	124.6	175.1	-168.9	-171	177.2	0	0	110.1	W76 N91 H92 G93 N94	W76-E89 HydrophobicContact CD2-CB 4.12Å; W76-E89 HydrophobicContact CE3-CB 4.21Å; W76-E89 HydrophobicContact CH2-CB 3.86Å; W76-E89 HydrophobicContact CZ2-CB 3.75Å; W76-E89 HydrophobicContact CZ2-CG 3.99Å; W76-E89 HydrophobicContact CZ3-CB 4.08Å; E89-N91 VanDerWaalsContact C-N 3.34Å; E89-N91 PolarHBondContact O-N 2.84Å; E89-H92 IonicContact OE1-CE1 3.64Å; E89-H92 IonicContact OE1-CG 3.87Å; E89-H92 IonicContact OE1-ND1 2.8Å; E89-H92 PolarHBondContact OE1-ND1 2.96Å; E89-H92 IonicContact OE2-CG 2.78Å; E89-H92 IonicContact OE2-ND1 2.78Å; E89-H92 PolarHBondContact OE2-ND1 2.76Å; E89-G93 WeakPolarHBondContact O-CA 3.2Å; E89-G93 PolarHBondContact O-N 2.74Å; E89-N94 HydrophobicContact CB-CB 4.05Å; E89-N94 PolarHBondContact N-O 3.41Å; E89-N94 WeakPolarHBondContact OE2-CB 3.41Å; E89-N94 PolarHBondContact OE2-ND2 2.78Å
90	K	72.4	Confident	74.6	Confident	31 Å²	31	55 Å²	55	14%	0.135	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-33.8	-176.2	-66.9	179.2	174.3	177.6	0	113.3	D38 H40 S72 N73 S75 I88	D38-K90 IonicContact OD1-NZ 3.44Å; D38-K90 PolarHBondContact OD1-NZ 2.97Å; D38-K90 IonicContact OD2-NZ 3.88Å; D38-K90 PolarHBondContact OD2-NZ 3.4Å; H40-K90 HydrophobicContact CB-CD 4.13Å; S72-K90 PolarHBondContact OG-NZ 3.46Å; N73-K90 WeakPolarHBondContact O-CE 3.33Å; N73-K90 PolarHBondContact O-NZ 2.87Å; S75-K90 PolarHBondContact O-N 3.3Å; I88-K90 PolarHBondContact O-N 3.44Å
91	N	67.9	Low	74.5	Confident	99 Å²	99	58.1 Å²	58.1	53%	0.529	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-42.1	-172.4	-69.4	-28.4	0	0	0	113.7	E89	E89-N91 VanDerWaalsContact C-N 3.34Å; E89-N91 PolarHBondContact O-N 2.84Å
92	H	69.3	Low	74.1	Confident	135 Å²	135	57.8 Å²	57.8	63%	0.625	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-8.9	-174.4	-56.1	103.4	0	0	0	113.4	E89 N94	E89-H92 IonicContact OE1-CE1 3.64Å; E89-H92 IonicContact OE1-CG 3.87Å; E89-H92 IonicContact OE1-ND1 2.8Å; E89-H92 PolarHBondContact OE1-ND1 2.96Å; E89-H92 IonicContact OE2-CG 2.78Å; E89-H92 IonicContact OE2-ND1 2.78Å; E89-H92 PolarHBondContact OE2-ND1 2.76Å; H92-N94 PolarHBondContact O-N 2.9Å
93	G	68.9	Low	73.8	Confident	8 Å²	8	57.2 Å²	57.2	8%	0.082	32%	0.319	C	S	.	.			trans	71.3	14.9	-177.5	0	0	0	0	0	114.1	K61 E89	K61-G93 PolarHBondContact NZ-O 2.89Å; E89-G93 WeakPolarHBondContact O-CA 3.2Å; E89-G93 PolarHBondContact O-N 2.74Å
94	N	71.5	Confident	73.4	Confident	89 Å²	89	51.4 Å²	51.4	48%	0.476	29%	0.292	S	S	.	.			trans	-61.5	139.5	173.6	-70.3	-40.7	0	0	0	109.9	I88 E89 H92	I88-N94 CarbonylContact C-O 3.6Å; I88-N94 WeakPolarHBondContact CA-O 3.38Å; E89-N94 HydrophobicContact CB-CB 4.05Å; E89-N94 PolarHBondContact N-O 3.41Å; E89-N94 WeakPolarHBondContact OE2-CB 3.41Å; E89-N94 PolarHBondContact OE2-ND2 2.78Å; H92-N94 PolarHBondContact O-N 2.9Å
95	I	74.1	Confident	73.2	Confident	76 Å²	76	50.9 Å²	50.9	39%	0.39	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.8	-178.5	-60.7	-175.8	0	0	0	109	K61 T86 G87 I88	K61-I95 HydrophobicContact CD-CD1 4.36Å; T86-I95 HydrophobicContact CG2-CG2 3.56Å; G87-I95 WeakPolarHBondContact O-CA 3.29Å; I88-I95 HydrophobicContact CG1-CG1 4.24Å; I88-I95 HydrophobicContact CG2-CG1 4.37Å
96	V	74.2	Confident	72.9	Confident	90 Å²	90	50.9 Å²	50.9	55%	0.545	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.5	171.9	-178.1	0	0	0	0	107.6	W76 G87	W76-V96 HydrophobicContact CH2-CG2 3.84Å; W76-V96 HydrophobicContact CZ3-CB 4.28Å; W76-V96 HydrophobicContact CZ3-CG2 4Å; G87-V96 PolarHBondContact N-O 2.87Å; G87-V96 PolarHBondContact O-N 2.92Å
97	S	77.4	Confident	72.7	Confident	76 Å²	76	51.2 Å²	51.2	53%	0.531	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	149.1	175.1	57.7	0	0	0	0	110.8	I85	I85-S97 CarbonylContact O-C 3.53Å; I85-S97 WeakPolarHBondContact O-CA 3.46Å
98	A	72.6	Confident	72	Confident	37 Å²	37	51 Å²	51	31%	0.306	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	130.6	171.6	0	0	0	0	0	109.4	S84 I85 I100	S84-A98 CarbonylContact C-O 3.59Å; S84-A98 VanDerWaalsContact CA-O 3.31Å; S84-A98 WeakPolarHBondContact CA-O 3.44Å; S84-A98 VanDerWaalsContact CB-O 3.28Å; S84-A98 WeakPolarHBondContact CB-O 3.11Å; I85-A98 HydrophobicContact CG2-CB 4.15Å; I85-A98 PolarHBondContact N-O 3.23Å; I85-A98 PolarHBondContact O-N 2.96Å; A98-I100 HydrophobicContact CB-CD1 3.89Å; A98-I100 HydrophobicContact CB-CG1 4.07Å; A98-I100 PolarHBondContact O-N 2.81Å
99	D	77.2	Confident	71.4	Confident	147 Å²	147	51.7 Å²	51.7	79%	0.786	30%	0.297	S	S	*	.			trans	-75.9	73.5	-178.3	-61.6	-25.1	0	0	0	110.6
100	I	70.8	Confident	70.9	Confident	37 Å²	37	52.5 Å²	52.5	19%	0.19	30%	0.301	C	S	.	.			trans	-129.5	122.9	-177.8	-53.4	175.2	0	0	0	107.8	E83 S84 A98 V102 K116 L142	E83-I100 CarbonylContact O-C 3.58Å; E83-I100 PolarHBondContact O-N 3.18Å; S84-I100 CarbonylContact C-O 3.53Å; S84-I100 VanDerWaalsContact CA-O 3.31Å; S84-I100 WeakPolarHBondContact CA-O 3.42Å; A98-I100 HydrophobicContact CB-CD1 3.89Å; A98-I100 HydrophobicContact CB-CG1 4.07Å; A98-I100 PolarHBondContact O-N 2.81Å; I100-V102 HydrophobicContact CB-CG2 4.26Å; I100-V102 HydrophobicContact CG2-CG2 3.82Å; I100-V102 PolarHBondContact O-N 3.31Å; I100-K116 HydrophobicContact CG2-CD 3.84Å; I100-L142 HydrophobicContact CD1-CD1 3.69Å
101	S	75.7	Confident	70.7	Confident	66 Å²	66	51 Å²	51	46%	0.462	30%	0.295	S	S	.	.			trans	-69.5	75.3	175.3	176.2	0	0	0	0	111.6
102	V	70.1	Confident	70.7	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.03	27%	0.269	C	S	.	.			trans	-87.4	130.1	174.6	176.9	0	0	0	0	109.1	A80 I85 I100 Q104 V105 C114	A80-V102 HydrophobicContact CB-CB 4.08Å; A80-V102 HydrophobicContact CB-CG1 3.84Å; I85-V102 HydrophobicContact CB-CB 4.49Å; I85-V102 HydrophobicContact CB-CG2 4.14Å; I85-V102 HydrophobicContact CD1-CG2 4.45Å; I85-V102 HydrophobicContact CG2-CG2 4.39Å; I100-V102 HydrophobicContact CB-CG2 4.26Å; I100-V102 HydrophobicContact CG2-CG2 3.82Å; I100-V102 PolarHBondContact O-N 3.31Å; V102-Q104 VanDerWaalsContact CG1-O 3.26Å; V102-Q104 WeakPolarHBondContact CG1-O 3.46Å; V102-V105 HydrophobicContact CG1-CG2 4.05Å; V102-C114 HydrophobicContact CG1-CB 3.71Å; V102-C114 VanDerWaalsContact CG1-SG 3.6Å; V102-C114 HydrophobicContact CG2-CB 4.1Å
103	V	69.6	Low	70.9	Confident	60 Å²	60	40 Å²	40	36%	0.364	24%	0.24	S	C	.	.			trans	-95	-32.4	179.2	-66.4	0	0	0	0	112.7	L115	V103-L115 HydrophobicContact CG2-CB 3.95Å; V103-L115 HydrophobicContact CG2-CD2 3.96Å; V103-L115 HydrophobicContact CG2-CG 3.76Å; V103-L115 WeakPolarHBondContact CG2-O 3.18Å; V103-L115 PolarHBondContact N-O 2.85Å
104	Q	71.2	Confident	71.2	Confident	45 Å²	45	39.9 Å²	39.9	21%	0.21	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	145.3	-178.7	-63.2	-176.1	-5.8	0	0	111	V102 C114 L115 I156	V102-Q104 VanDerWaalsContact CG1-O 3.26Å; V102-Q104 WeakPolarHBondContact CG1-O 3.46Å; Q104-C114 VanDerWaalsContact O-CA 3.31Å; Q104-C114 WeakPolarHBondContact O-CA 3.11Å; Q104-L115 HydrophobicContact CB-CB 4.11Å; Q104-L115 PolarHBondContact O-N 3.08Å; Q104-I156 HydrophobicContact CB-CD1 4.34Å; Q104-I156 HydrophobicContact CB-CG1 3.89Å
105	V	74.5	Confident	71.3	Confident	8 Å²	8	35.7 Å²	35.7	5%	0.048	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128	174	-171.1	0	0	0	0	107.8	S69 F78 A80 I85 V102 V112 Y113	S69-V105 PolarHBondContact OG-N 3.11Å; S69-V105 PolarHBondContact OG-O 2.86Å; F78-V105 HydrophobicContact CB-CG1 4.04Å; A80-V105 HydrophobicContact CB-CG2 3.56Å; I85-V105 HydrophobicContact CD1-CG2 4.14Å; V102-V105 HydrophobicContact CG1-CG2 4.05Å; V105-V112 HydrophobicContact CG1-CG1 3.3Å; V105-Y113 CarbonylContact C-O 3.6Å; V105-Y113 VanDerWaalsContact CA-O 3.29Å; V105-Y113 WeakPolarHBondContact CA-O 3.34Å
106	A	70.8	Confident	71.3	Confident	6 Å²	6	37.3 Å²	37.3	5%	0.05	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	145.2	170.6	0	0	0	0	0	109	V112 Y113 I156 A158	A106-V112 CarbonylContact O-C 3.49Å; A106-V112 WeakPolarHBondContact O-CA 3.25Å; A106-Y113 PolarHBondContact N-O 3.03Å; A106-Y113 PolarHBondContact O-N 3.46Å; A106-I156 HydrophobicContact CB-CB 4.23Å; A106-I156 HydrophobicContact CB-CD1 3.96Å; A106-I156 HydrophobicContact CB-CG1 3.97Å; A106-A158 HydrophobicContact CB-CB 4Å
107	S	71.5	Confident	71.5	Confident	20 Å²	20	35.5 Å²	35.5	14%	0.14	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	135.9	175.1	-174.3	0	0	0	0	112.2	S72 G109 N111 A158	S72-S107 WeakPolarHBondContact O-CB 3.33Å; S72-S107 PolarHBondContact O-OG 2.76Å; S107-G109 VanDerWaalsContact C-N 3.27Å; S107-G109 PolarHBondContact OG-N 2.78Å; S107-G109 VanDerWaalsContact OG-N 3.14Å; S107-N111 WeakPolarHBondContact CA-O 3.3Å; S107-N111 VanDerWaalsContact CB-O 3.29Å; S107-N111 WeakPolarHBondContact CB-O 3.45Å; S107-N111 PolarHBondContact OG-O 2.65Å; S107-A158 WeakPolarHBondContact O-CB 3.38Å
108	D	63.9	Low	71.3	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	22%	0.221	C	C	.	.			trans	-90.8	14.5	171.8	65	25.8	0	0	0	112.4	H110 N111 Y113 Q130 A158 G159 N160	D108-H110 VanDerWaalsContact C-N 3.26Å; D108-H110 PolarHBondContact O-N 2.78Å; D108-H110 PolarHBondContact OD1-N 2.93Å; D108-N111 PolarHBondContact N-O 3.08Å; D108-N111 WeakPolarHBondContact OD1-CA 3.32Å; D108-N111 VanDerWaalsContact OD1-CB 3.3Å; D108-N111 WeakPolarHBondContact OD1-CB 3.41Å; D108-N111 PolarHBondContact OD1-N 2.97Å; D108-N111 WeakPolarHBondContact OD2-CB 3.38Å; D108-N111 PolarHBondContact OD2-ND2 3.12Å; D108-Y113 PolarHBondContact OD2-OH 2.88Å; D108-Y113 VanDerWaalsContact OD2-OH 3.14Å; D108-Q130 VanDerWaalsContact OD2-CD 3.32Å; D108-Q130 PolarHBondContact OD2-OE1 2.95Å; D108-A158 HydrophobicContact CB-CB 4.05Å; D108-G159 WeakPolarHBondContact CA-O 3.43Å; D108-G159 WeakPolarHBondContact CB-O 3.13Å; D108-N160 CarbonylContact O-C 3.54Å; D108-N160 WeakPolarHBondContact O-CA 3.06Å
109	G	61.8	Low	71.4	Confident	19 Å²	19	37.8 Å²	37.8	20%	0.196	22%	0.218	C	C	.	.	S	Bend	trans	88.6	-22	-176.2	0	0	0	0	0	113.9	N73 D74 S107	N73-G109 CarbonylContact C-O 3.57Å; N73-G109 WeakPolarHBondContact CA-O 3.41Å; N73-G109 WeakPolarHBondContact CB-O 3.46Å; D74-G109 PolarHBondContact N-O 3.07Å; S107-G109 VanDerWaalsContact C-N 3.27Å; S107-G109 PolarHBondContact OG-N 2.78Å; S107-G109 VanDerWaalsContact OG-N 3.14Å
110	H	64.1	Low	71.1	Confident	48 Å²	48	30.9 Å²	30.9	22%	0.222	18%	0.181	C	C	.	.	S	Bend	trans	-116.3	-48.5	171	-65.7	67.6	0	0	0	110.9	N73 D74 D108 W161	N73-H110 WeakPolarHBondContact CB-O 3.41Å; N73-H110 PolarHBondContact ND2-O 3.22Å; N73-H110 VanDerWaalsContact ND2-O 3.09Å; D74-H110 IonicContact OD2-CE1 3.92Å; D74-H110 IonicContact OD2-NE2 3.63Å; D108-H110 VanDerWaalsContact C-N 3.26Å; D108-H110 PolarHBondContact O-N 2.78Å; D108-H110 PolarHBondContact OD1-N 2.93Å; H110-W161 AromaticContact CE1-CH2 2.88Å; H110-W161 WeakPolarHBondContact CE1-CH2 3.21Å; H110-W161 AromaticContact CE1-CZ2 3.33Å; H110-W161 WeakPolarHBondContact CE1-CZ2 3.34Å; H110-W161 AromaticContact CE1-CZ3 3.4Å; H110-W161 WeakPolarHBondContact CE1-CZ3 3.2Å; H110-W161 AromaticContact CG-CZ3 3.88Å; H110-W161 AromaticContact ND1-CE3 3.98Å; H110-W161 AromaticContact ND1-CH2 3.39Å; H110-W161 WeakPolarHBondContact ND1-CH2 3.42Å; H110-W161 AromaticContact ND1-CZ2 3.93Å; H110-W161 AromaticContact ND1-CZ3 3.36Å; H110-W161 WeakPolarHBondContact ND1-CZ3 3.27Å; H110-W161 AromaticContact NE2-CH2 3.26Å; H110-W161 VanDerWaalsContact NE2-CH2 3.26Å; H110-W161 WeakPolarHBondContact NE2-CH2 3.5Å; H110-W161 AromaticContact NE2-CZ3 3.8Å
111	N	67	Low	71.1	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.179	C	C	.	.			trans	-88.3	152.8	180	-64.2	-34.5	0	0	0	112.3	S107 D108 Y113 L122 K124 E125 G126 Q130	S107-N111 WeakPolarHBondContact CA-O 3.3Å; S107-N111 VanDerWaalsContact CB-O 3.29Å; S107-N111 WeakPolarHBondContact CB-O 3.45Å; S107-N111 PolarHBondContact OG-O 2.65Å; D108-N111 PolarHBondContact N-O 3.08Å; D108-N111 WeakPolarHBondContact OD1-CA 3.32Å; D108-N111 VanDerWaalsContact OD1-CB 3.3Å; D108-N111 WeakPolarHBondContact OD1-CB 3.41Å; D108-N111 PolarHBondContact OD1-N 2.97Å; D108-N111 WeakPolarHBondContact OD2-CB 3.38Å; D108-N111 PolarHBondContact OD2-ND2 3.12Å; N111-Y113 HydrophobicContact CB-CD2 4.36Å; N111-Y113 HydrophobicContact CB-CE2 3.57Å; N111-Y113 PolarHBondContact ND2-OH 3.26Å; N111-L122 HydrophobicContact CB-CD1 3.71Å; N111-K124 WeakPolarHBondContact CA-O 3.39Å; N111-E125 WeakPolarHBondContact OD1-CA 3.41Å; N111-G126 PolarHBondContact OD1-N 3.19Å; N111-Q130 VanDerWaalsContact ND2-CB 3.29Å; N111-Q130 WeakPolarHBondContact ND2-CB 3.15Å; N111-Q130 WeakPolarHBondContact ND2-CG 3.46Å; N111-Q130 PolarHBondContact ND2-NE2 2.84Å
112	V	69.5	Low	70.8	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	119.4	167.7	-177.4	0	0	0	0	109.3	N73 F78 V105 A106 L123 K124	N73-V112 HydrophobicContact CB-CG2 4.37Å; F78-V112 HydrophobicContact CB-CG1 4.11Å; F78-V112 HydrophobicContact CD2-CB 4.13Å; F78-V112 HydrophobicContact CD2-CG1 3.95Å; F78-V112 HydrophobicContact CD2-CG2 3.52Å; F78-V112 HydrophobicContact CE2-CB 4.17Å; F78-V112 HydrophobicContact CE2-CG1 4.45Å; F78-V112 HydrophobicContact CE2-CG2 3.49Å; F78-V112 VanDerWaalsContact CE2-CG2 3.49Å; F78-V112 HydrophobicContact CG-CG1 3.97Å; F78-V112 HydrophobicContact CG-CG2 4.36Å; F78-V112 HydrophobicContact CZ-CG2 4.35Å; V105-V112 HydrophobicContact CG1-CG1 3.3Å; A106-V112 CarbonylContact O-C 3.49Å; A106-V112 WeakPolarHBondContact O-CA 3.25Å; V112-L123 HydrophobicContact CB-CB 4.26Å; V112-L123 HydrophobicContact CG1-CB 4.5Å; V112-L123 HydrophobicContact CG1-CD1 4.01Å; V112-L123 PolarHBondContact O-N 3.44Å; V112-K124 PolarHBondContact N-O 3.42Å; V112-K124 VanDerWaalsContact N-O 3.16Å
113	Y	72.4	Confident	70.5	Confident	3 Å²	3	28.9 Å²	28.9	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	142.3	176.9	-54.4	-90.1	0	0	0	108.9	V105 A106 D108 N111 V120 T121 L122 Q130 I145 I156 A158 S163 W175	V105-Y113 CarbonylContact C-O 3.6Å; V105-Y113 VanDerWaalsContact CA-O 3.29Å; V105-Y113 WeakPolarHBondContact CA-O 3.34Å; A106-Y113 PolarHBondContact N-O 3.03Å; A106-Y113 PolarHBondContact O-N 3.46Å; D108-Y113 PolarHBondContact OD2-OH 2.88Å; D108-Y113 VanDerWaalsContact OD2-OH 3.14Å; N111-Y113 HydrophobicContact CB-CD2 4.36Å; N111-Y113 HydrophobicContact CB-CE2 3.57Å; N111-Y113 PolarHBondContact ND2-OH 3.26Å; Y113-V120 HydrophobicContact CD1-CG1 4.37Å; Y113-T121 CarbonylContact C-O 3.52Å; Y113-L122 HydrophobicContact CD1-CD1 3.87Å; Y113-L122 HydrophobicContact CE1-CD1 3.68Å; Y113-L122 HydrophobicContact CG-CD1 4.41Å; Y113-Q130 PolarHBondContact OH-O 2.83Å; Y113-I145 HydrophobicContact CD1-CD1 3.93Å; Y113-I145 HydrophobicContact CE1-CD1 3.97Å; Y113-I156 WeakPolarHBondContact O-CD1 3.3Å; Y113-A158 HydrophobicContact CD2-CB 4.41Å; Y113-A158 HydrophobicContact CE2-CB 4.46Å; Y113-S163 WeakPolarHBondContact CE2-OG 3.12Å; Y113-S163 PolarHBondContact OH-OG 2.9Å; Y113-W175 HydrophobicContact CD1-CZ2 4.19Å; Y113-W175 AromaticContact CE1-CZ2 3.98Å; Y113-W175 HydrophobicContact CE1-CZ2 3.98Å; Y113-W175 AromaticContact CE1-NE1 3.79Å
114	C	75.2	Confident	69.8	Low	4 Å²	4	29.8 Å²	29.8	3%	0.027	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.7	177.7	-81	0	0	0	0	110.2	I85 V102 Q104 V120 T121 L123	I85-C114 VanDerWaalsContact CD1-SG 3.56Å; V102-C114 HydrophobicContact CG1-CB 3.71Å; V102-C114 VanDerWaalsContact CG1-SG 3.6Å; V102-C114 HydrophobicContact CG2-CB 4.1Å; Q104-C114 VanDerWaalsContact O-CA 3.31Å; Q104-C114 WeakPolarHBondContact O-CA 3.11Å; C114-V120 CarbonylContact O-C 3.46Å; C114-V120 WeakPolarHBondContact O-CA 3.29Å; C114-T121 PolarHBondContact N-O 3.16Å; C114-T121 PolarHBondContact O-N 3.09Å; C114-L123 HydrophobicContact CB-CD1 4.18Å; C114-L123 WeakPolarHBondContact SG-CD1 3.43Å
115	L	73.6	Confident	69	Low	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	120.4	170.4	-176.9	61.1	0	0	0	108.1	V103 Q104 G117 V120 V153 T154 I156	V103-L115 HydrophobicContact CG2-CB 3.95Å; V103-L115 HydrophobicContact CG2-CD2 3.96Å; V103-L115 HydrophobicContact CG2-CG 3.76Å; V103-L115 WeakPolarHBondContact CG2-O 3.18Å; V103-L115 PolarHBondContact N-O 2.85Å; Q104-L115 HydrophobicContact CB-CB 4.11Å; Q104-L115 PolarHBondContact O-N 3.08Å; L115-G117 WeakPolarHBondContact CG-O 2.87Å; L115-V120 HydrophobicContact CD1-CG2 3.97Å; L115-V153 HydrophobicContact CD1-CB 4.01Å; L115-V153 HydrophobicContact CD1-CG1 3.89Å; L115-V153 HydrophobicContact CD2-CG1 4.47Å; L115-T154 VanDerWaalsContact CD2-C 3.5Å; L115-T154 VanDerWaalsContact CD2-O 3.28Å; L115-T154 WeakPolarHBondContact CD2-O 3.47Å; L115-I156 HydrophobicContact CB-CD1 3.99Å; L115-I156 HydrophobicContact CB-CG1 4.11Å; L115-I156 HydrophobicContact CB-CG2 4.41Å
116	K	75.1	Confident	67.7	Low	110 Å²	110	29.4 Å²	29.4	48%	0.478	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	107.8	173.8	176.3	-179	-178.6	-177.5	0	108.3	I100 E118 T119	I100-K116 HydrophobicContact CG2-CD 3.84Å; K116-E118 PolarHBondContact O-N 3.36Å; K116-T119 PolarHBondContact N-O 3.49Å; K116-T119 PolarHBondContact O-N 3.22Å
117	G	77.1	Confident	66.6	Low	52 Å²	52	32.9 Å²	32.9	54%	0.536	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	-110	-167.7	0	0	0	0	0	109.2	L115	L115-G117 WeakPolarHBondContact CG-O 2.87Å
118	E	73.7	Confident	65.4	Low	121 Å²	121	37.1 Å²	37.1	57%	0.565	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109	-5.2	-179.9	-59.7	167.4	169.9	0	0	112.3	K116 T152 V153	K116-E118 PolarHBondContact O-N 3.36Å; E118-T152 HydrophobicContact CB-CG2 4.28Å; E118-T152 HydrophobicContact CG-CG2 3.78Å; E118-V153 PolarHBondContact O-N 3.38Å
119	T	74.5	Confident	64.5	Low	41 Å²	41	37.8 Å²	37.8	25%	0.252	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	128.1	-176	-67.3	0	0	0	0	111.4	K116 M144 Q149	K116-T119 PolarHBondContact N-O 3.49Å; K116-T119 PolarHBondContact O-N 3.22Å; T119-M144 HydrophobicContact CG2-CE 4.08Å; T119-M144 HydrophobicContact CG2-CG 3.97Å; T119-M144 HydrophobicContact CG2-SD 4.28Å; T119-Q149 PolarHBondContact OG1-NE2 3.4Å
120	V	70.5	Confident	63.7	Low	2 Å²	2	36.9 Å²	36.9	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	123.2	171.3	-174.2	0	0	0	0	110.2	Y113 C114 L115 I145 L148 V153 I156	Y113-V120 HydrophobicContact CD1-CG1 4.37Å; C114-V120 CarbonylContact O-C 3.46Å; C114-V120 WeakPolarHBondContact O-CA 3.29Å; L115-V120 HydrophobicContact CD1-CG2 3.97Å; V120-I145 HydrophobicContact CG1-CD1 4.03Å; V120-I145 PolarHBondContact O-N 2.89Å; V120-L148 HydrophobicContact CB-CD1 3.89Å; V120-L148 HydrophobicContact CG1-CD1 4.24Å; V120-L148 HydrophobicContact CG2-CD1 4.05Å; V120-V153 HydrophobicContact CG2-CB 3.85Å; V120-V153 HydrophobicContact CG2-CG1 3.64Å; V120-V153 HydrophobicContact CG2-CG2 3.87Å; V120-I156 HydrophobicContact CG1-CG2 4.2Å; V120-I156 HydrophobicContact CG2-CG2 3.67Å
121	T	70.8	Confident	62.9	Low	22 Å²	22	34.9 Å²	34.9	14%	0.135	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	140.1	177.3	-46.8	0	0	0	0	109.9	Y113 C114 L142	Y113-T121 CarbonylContact C-O 3.52Å; C114-T121 PolarHBondContact N-O 3.16Å; C114-T121 PolarHBondContact O-N 3.09Å; T121-L142 HydrophobicContact CG2-CB 4.12Å; T121-L142 HydrophobicContact CG2-CD2 3.73Å
122	L	69.1	Low	62	Low	6 Å²	6	35.7 Å²	35.7	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	131.8	173.3	-176.2	77.3	0	0	0	110.2	N111 Y113 L131 L142 T143	N111-L122 HydrophobicContact CB-CD1 3.71Å; Y113-L122 HydrophobicContact CD1-CD1 3.87Å; Y113-L122 HydrophobicContact CE1-CD1 3.68Å; Y113-L122 HydrophobicContact CG-CD1 4.41Å; L122-L131 HydrophobicContact CD2-CD2 3.15Å; L122-L142 WeakPolarHBondContact O-CA 3.38Å; L122-T143 PolarHBondContact N-O 3.14Å; L122-T143 PolarHBondContact O-N 2.6Å
123	L	64.7	Low	61	Low	37 Å²	37	37.9 Å²	37.9	19%	0.194	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-34.9	-179.2	-85.3	163.4	0	0	0	114.8	F78 I85 V112 C114 L142	F78-L123 HydrophobicContact CD1-CD1 4.13Å; F78-L123 HydrophobicContact CE1-CD1 4.42Å; I85-L123 HydrophobicContact CD1-CD1 3.28Å; V112-L123 HydrophobicContact CB-CB 4.26Å; V112-L123 HydrophobicContact CG1-CB 4.5Å; V112-L123 HydrophobicContact CG1-CD1 4.01Å; V112-L123 PolarHBondContact O-N 3.44Å; C114-L123 HydrophobicContact CB-CD1 4.18Å; C114-L123 WeakPolarHBondContact SG-CD1 3.43Å; L123-L142 HydrophobicContact CD2-CD2 3.26Å; L123-L142 HydrophobicContact CD2-CG 4.17Å; L123-L142 HydrophobicContact CG-CD2 3.76Å
124	K	54.9	Low	59.7	Low	79 Å²	79	39.3 Å²	39.3	34%	0.343	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	157.5	-172.9	-166.5	161.5	177.4	174	0	109.3	W76 F78 N111 V112	W76-K124 VanDerWaalsContact NE1-NZ 3.11Å; F78-K124 HydrophobicContact CZ-CB 4.28Å; F78-K124 HydrophobicContact CZ-CD 4.21Å; N111-K124 WeakPolarHBondContact CA-O 3.39Å; V112-K124 PolarHBondContact N-O 3.42Å; V112-K124 VanDerWaalsContact N-O 3.16Å
125	E	55.3	Low	58.3	Low	38 Å²	38	42 Å²	42	18%	0.178	24%	0.24	C	C	.	.			trans	-134.6	148.6	-151.2	-166.7	-174.8	-141.3	0	0	116	N111 L131 T137 D138 R139	N111-E125 WeakPolarHBondContact OD1-CA 3.41Å; E125-L131 HydrophobicContact CG-CD2 4.15Å; E125-T137 VanDerWaalsContact OE1-O 3.08Å; E125-D138 VanDerWaalsContact CD-CA 3.48Å; E125-D138 WeakPolarHBondContact OE1-CA 3.17Å; E125-D138 VanDerWaalsContact OE2-C 3.23Å; E125-D138 WeakPolarHBondContact OE2-CA 3.04Å; E125-D138 WeakPolarHBondContact OE2-CB 3.36Å; E125-R139 PolarHBondContact OE1-N 2.81Å; E125-R139 PolarHBondContact OE2-N 3.08Å
126	G	46.7	Very low	56.9	Low	8 Å²	8	45.3 Å²	45.3	8%	0.082	26%	0.258	C	S	.	.			trans	-135	155	159.2	0	0	0	0	0	113.6	N111 R128 Q130	N111-G126 PolarHBondContact OD1-N 3.19Å; G126-R128 PolarHBondContact O-N 2.91Å; G126-R128 VanDerWaalsContact O-N 3.12Å; G126-Q130 PolarHBondContact O-NE2 3.15Å; G126-Q130 VanDerWaalsContact O-NE2 3.11Å
127	S	46.6	Very low	55.3	Low	79 Å²	79	43.2 Å²	43.2	55%	0.552	25%	0.254	S	S	*	.	S	Bend	trans	-85.4	34.8	-154.9	45	0	0	0	0	117.5
128	R	47.1	Very low	53.7	Low	109 Å²	109	46 Å²	46	41%	0.411	26%	0.257	S	S	.	.	S	Bend	trans	-124.8	31.3	-171.4	-60.9	-162	-177.4	-163.2	2.7	117.4	G126 Q130 W161 W177	G126-R128 PolarHBondContact O-N 2.91Å; G126-R128 VanDerWaalsContact O-N 3.12Å; R128-Q130 HydrophobicContact CB-CG 4.47Å; R128-Q130 PolarHBondContact O-N 3.01Å; R128-W161 HydrophobicContact CB-CE3 4.48Å; R128-W161 HydrophobicContact CB-CZ3 4.47Å; R128-W161 HydrophobicContact CG-CZ3 4.1Å; R128-W177 HydrophobicContact CB-CE3 4.21Å; R128-W177 HydrophobicContact CB-CZ3 4.49Å
129	G	44.3	Very low	52.3	Low	14 Å²	14	45.5 Å²	45.5	14%	0.144	25%	0.249	C	C	.	.	S	Bend	trans	76.8	1	173.2	0	0	0	0	0	115.3	L131 G132 L136	G129-L131 PolarHBondContact O-N 3.31Å; G129-G132 PolarHBondContact O-N 3Å; G129-L136 VanDerWaalsContact N-CD2 3.32Å
130	Q	45.9	Very low	51.1	Low	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-0.8	173	34.9	-177.9	42.5	0	0	113.9	D108 N111 Y113 G126 R128 G132 W175	D108-Q130 VanDerWaalsContact OD2-CD 3.32Å; D108-Q130 PolarHBondContact OD2-OE1 2.95Å; N111-Q130 VanDerWaalsContact ND2-CB 3.29Å; N111-Q130 WeakPolarHBondContact ND2-CB 3.15Å; N111-Q130 WeakPolarHBondContact ND2-CG 3.46Å; N111-Q130 PolarHBondContact ND2-NE2 2.84Å; Y113-Q130 PolarHBondContact OH-O 2.83Å; G126-Q130 PolarHBondContact O-NE2 3.15Å; G126-Q130 VanDerWaalsContact O-NE2 3.11Å; R128-Q130 HydrophobicContact CB-CG 4.47Å; R128-Q130 PolarHBondContact O-N 3.01Å; Q130-G132 VanDerWaalsContact C-N 3.32Å; Q130-G132 PolarHBondContact O-N 3.23Å; Q130-W175 PolarHBondContact O-NE1 2.84Å
131	L	46.6	Very low	50.4	Low	6 Å²	6	57.7 Å²	57.7	3%	0.031	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-28.2	171.8	-63.5	177.6	0	0	0	113.1	L122 E125 G129 L133	L122-L131 HydrophobicContact CD2-CD2 3.15Å; E125-L131 HydrophobicContact CG-CD2 4.15Å; G129-L131 PolarHBondContact O-N 3.31Å; L131-L133 HydrophobicContact CB-CB 3.91Å; L131-L133 HydrophobicContact CB-CD1 4.04Å; L131-L133 HydrophobicContact CB-CG 3.86Å; L131-L133 HydrophobicContact CD1-CD1 4.28Å; L131-L133 PolarHBondContact O-N 3.47Å
132	G	49.2	Very low	49.8	Very low	18 Å²	18	61.1 Å²	61.1	19%	0.186	33%	0.331	C	S	.	.	S	Bend	trans	65	-4.3	-166.3	0	0	0	0	0	113.8	G129 Q130 G134	G129-G132 PolarHBondContact O-N 3Å; Q130-G132 VanDerWaalsContact C-N 3.32Å; Q130-G132 PolarHBondContact O-N 3.23Å; G132-G134 VanDerWaalsContact C-N 3.26Å
133	L	46.8	Very low	49.5	Very low	45 Å²	45	62.1 Å²	62.1	24%	0.236	34%	0.337	C	S	.	.	S	Bend	trans	-75.5	-19.3	174.6	-59.7	177.2	0	0	0	111.9	L131 T143 I145 R202	L131-L133 HydrophobicContact CB-CB 3.91Å; L131-L133 HydrophobicContact CB-CD1 4.04Å; L131-L133 HydrophobicContact CB-CG 3.86Å; L131-L133 HydrophobicContact CD1-CD1 4.28Å; L131-L133 PolarHBondContact O-N 3.47Å; L133-T143 HydrophobicContact CD1-CG2 3.99Å; L133-I145 HydrophobicContact CD2-CG2 4.22Å; L133-R202 PolarHBondContact O-NH2 3.06Å
134	G	46.4	Very low	49.6	Very low	34 Å²	34	64.6 Å²	64.6	35%	0.351	35%	0.349	S	S	.	.	S	Bend	trans	73.4	28.5	175.5	0	0	0	0	0	114.9	G132 R202	G132-G134 VanDerWaalsContact C-N 3.26Å; G134-R202 VanDerWaalsContact CA-CZ 3.48Å; G134-R202 PolarHBondContact O-NH1 3.16Å
135	D	46.4	Very low	50.2	Low	60 Å²	60	61.1 Å²	61.1	32%	0.321	33%	0.334	S	S	.	.			trans	-125.3	175.8	155.6	68.4	48.1	0	0	0	110	T137	D135-T137 PolarHBondContact OD1-N 2.8Å; D135-T137 PolarHBondContact OD1-OG1 3.16Å; D135-T137 PolarHBondContact OD2-OG1 2.82Å
136	L	43.7	Very low	50.7	Low	71 Å²	71	66.5 Å²	66.5	37%	0.372	36%	0.359	S	S	.	.			trans	-111.3	21.6	179	-58.9	178.7	0	0	0	111.4	G129 I197	G129-L136 VanDerWaalsContact N-CD2 3.32Å; L136-I197 HydrophobicContact CD1-CD1 4.14Å; L136-I197 HydrophobicContact CD2-CD1 4.44Å; L136-I197 HydrophobicContact CG-CD1 4.29Å
137	T	41.1	Very low	51.5	Low	65 Å²	65	69 Å²	69	40%	0.399	38%	0.379	S	S	.	.			trans	-93.4	134	-169.6	57.6	0	0	0	0	112.8	E125 D135 R139	E125-T137 VanDerWaalsContact OE1-O 3.08Å; D135-T137 PolarHBondContact OD1-N 2.8Å; D135-T137 PolarHBondContact OD1-OG1 3.16Å; D135-T137 PolarHBondContact OD2-OG1 2.82Å; T137-R139 PolarHBondContact OG1-NH1 3Å
138	D	43.6	Very low	52.5	Low	111 Å²	111	65.8 Å²	65.8	59%	0.594	36%	0.355	S	S	*	.			trans	-67.7	151.9	-177.4	-59.1	-25.1	0	0	0	113.2	E125	E125-D138 VanDerWaalsContact CD-CA 3.48Å; E125-D138 WeakPolarHBondContact OE1-CA 3.17Å; E125-D138 VanDerWaalsContact OE2-C 3.23Å; E125-D138 WeakPolarHBondContact OE2-CA 3.04Å; E125-D138 WeakPolarHBondContact OE2-CB 3.36Å
139	R	44.2	Very low	53.6	Low	110 Å²	110	65 Å²	65	42%	0.415	36%	0.356	S	S	.	.			trans	-146.4	124.2	179.7	-64.8	-62.5	-169.5	-77.4	-10.9	110.1	E125 T137	E125-R139 PolarHBondContact OE1-N 2.81Å; E125-R139 PolarHBondContact OE2-N 3.08Å; T137-R139 PolarHBondContact OG1-NH1 3Å
140	T	49.1	Very low	55	Low	143 Å²	143	71.6 Å²	71.6	88%	0.877	39%	0.386	S	S	*	.			trans	-96.9	-1.9	178.7	42.1	0	0	0	0	113.6
141	E	55.2	Low	56.4	Low	156 Å²	156	73.1 Å²	73.1	73%	0.729	40%	0.395	S	S	*	.	S	Bend	trans	-112.8	155.1	-177.8	-63.4	-173.8	172.5	0	0	111.4	T143	E141-T143 PolarHBondContact O-N 3.24Å; E141-T143 PolarHBondContact O-OG1 3.09Å
142	L	58.9	Low	58	Low	95 Å²	95	74.9 Å²	74.9	50%	0.497	41%	0.406	S	S	.	.			trans	-49.3	106	171.3	-83	168.5	0	0	0	110	I100 T121 L122 L123	I100-L142 HydrophobicContact CD1-CD1 3.69Å; T121-L142 HydrophobicContact CG2-CB 4.12Å; T121-L142 HydrophobicContact CG2-CD2 3.73Å; L122-L142 WeakPolarHBondContact O-CA 3.38Å; L123-L142 HydrophobicContact CD2-CD2 3.26Å; L123-L142 HydrophobicContact CD2-CG 4.17Å; L123-L142 HydrophobicContact CG-CD2 3.76Å
143	T	63.6	Low	59.4	Low	27 Å²	27	74.1 Å²	74.1	17%	0.166	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120	-175	-56.8	0	0	0	0	109.3	L122 L133 E141	L122-T143 PolarHBondContact N-O 3.14Å; L122-T143 PolarHBondContact O-N 2.6Å; L133-T143 HydrophobicContact CD1-CG2 3.99Å; E141-T143 PolarHBondContact O-N 3.24Å; E141-T143 PolarHBondContact O-OG1 3.09Å
144	M	66	Low	60.8	Low	89 Å²	89	74.7 Å²	74.7	44%	0.438	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	135.9	175.5	-171.6	177.8	-69.4	0	0	109.7	T119 E146 Q149	T119-M144 HydrophobicContact CG2-CE 4.08Å; T119-M144 HydrophobicContact CG2-CG 3.97Å; T119-M144 HydrophobicContact CG2-SD 4.28Å; M144-E146 PolarHBondContact O-N 2.7Å; M144-E146 VanDerWaalsContact O-N 3.15Å; M144-Q149 HydrophobicContact CG-CG 4.16Å; M144-Q149 HydrophobicContact SD-CG 3.86Å; M144-Q149 PolarHBondContact SD-NE2 2.86Å; M144-Q149 PolarHBondContact SD-OE1 2.7Å
145	I	68.2	Low	62.1	Low	5 Å²	5	75.3 Å²	75.3	3%	0.026	40%	0.396	C	S	.	.			trans	-84.3	92.4	175.2	-53.5	179.3	0	0	0	108.1	Y113 V120 L133 A147 L148 W175	Y113-I145 HydrophobicContact CD1-CD1 3.93Å; Y113-I145 HydrophobicContact CE1-CD1 3.97Å; V120-I145 HydrophobicContact CG1-CD1 4.03Å; V120-I145 PolarHBondContact O-N 2.89Å; L133-I145 HydrophobicContact CD2-CG2 4.22Å; I145-A147 HydrophobicContact CG2-CB 4.41Å; I145-A147 PolarHBondContact O-N 2.92Å; I145-A147 VanDerWaalsContact O-N 3.15Å; I145-L148 HydrophobicContact CB-CB 4.45Å; I145-L148 HydrophobicContact CB-CD1 4.06Å; I145-L148 HydrophobicContact CB-CG 4.24Å; I145-L148 HydrophobicContact CD1-CD1 4.08Å; I145-L148 HydrophobicContact CG2-CB 4.35Å; I145-L148 HydrophobicContact CG2-CD1 3.9Å; I145-L148 HydrophobicContact CG2-CG 3.77Å; I145-L148 PolarHBondContact O-N 2.88Å; I145-W175 HydrophobicContact CD1-CZ2 4.16Å
146	E	65.7	Low	63.3	Low	152 Å²	152	72.9 Å²	72.9	71%	0.71	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-54.9	-35.2	-176.2	-66.8	-174.4	172.9	0	0	113	M144 L148 Q149	M144-E146 PolarHBondContact O-N 2.7Å; M144-E146 VanDerWaalsContact O-N 3.15Å; E146-L148 PolarHBondContact O-N 2.96Å; E146-Q149 VanDerWaalsContact O-CB 3.3Å; E146-Q149 WeakPolarHBondContact O-CB 2.93Å; E146-Q149 PolarHBondContact O-N 2.94Å
147	A	63.5	Low	64.7	Low	60 Å²	60	69.7 Å²	69.7	50%	0.496	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-61.7	-24.7	178.2	0	0	0	0	0	113.6	I145	I145-A147 HydrophobicContact CG2-CB 4.41Å; I145-A147 PolarHBondContact O-N 2.92Å; I145-A147 VanDerWaalsContact O-N 3.15Å
148	L	66.7	Low	66	Low	12 Å²	12	67.5 Å²	67.5	6%	0.063	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-94.3	-8.4	178.4	-59.9	178.1	0	0	0	112.5	V120 I145 E146 I150 L151 V153 W175	V120-L148 HydrophobicContact CB-CD1 3.89Å; V120-L148 HydrophobicContact CG1-CD1 4.24Å; V120-L148 HydrophobicContact CG2-CD1 4.05Å; I145-L148 HydrophobicContact CB-CB 4.45Å; I145-L148 HydrophobicContact CB-CD1 4.06Å; I145-L148 HydrophobicContact CB-CG 4.24Å; I145-L148 HydrophobicContact CD1-CD1 4.08Å; I145-L148 HydrophobicContact CG2-CB 4.35Å; I145-L148 HydrophobicContact CG2-CD1 3.9Å; I145-L148 HydrophobicContact CG2-CG 3.77Å; I145-L148 PolarHBondContact O-N 2.88Å; E146-L148 PolarHBondContact O-N 2.96Å; L148-I150 PolarHBondContact O-N 3.02Å; L148-L151 HydrophobicContact CD2-CD1 3.79Å; L148-L151 WeakPolarHBondContact O-CB 3.23Å; L148-L151 PolarHBondContact O-N 2.87Å; L148-L151 VanDerWaalsContact O-O 3.11Å; L148-V153 HydrophobicContact CB-CG2 4.5Å; L148-W175 HydrophobicContact CD1-CH2 3.69Å; L148-W175 HydrophobicContact CD1-CZ2 4.15Å; L148-W175 HydrophobicContact CD1-CZ3 4.12Å; L148-W175 HydrophobicContact CD2-CZ3 4.41Å
149	Q	71.7	Confident	67.1	Low	93 Å²	93	62.7 Å²	62.7	44%	0.435	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-24	-180	-74.5	-79.5	-70.1	0	0	113.4	T119 M144 E146 L151	T119-Q149 PolarHBondContact OG1-NE2 3.4Å; M144-Q149 HydrophobicContact CG-CG 4.16Å; M144-Q149 HydrophobicContact SD-CG 3.86Å; M144-Q149 PolarHBondContact SD-NE2 2.86Å; M144-Q149 PolarHBondContact SD-OE1 2.7Å; E146-Q149 VanDerWaalsContact O-CB 3.3Å; E146-Q149 WeakPolarHBondContact O-CB 2.93Å; E146-Q149 PolarHBondContact O-N 2.94Å; Q149-L151 PolarHBondContact O-N 2.85Å
150	I	73.4	Confident	68	Low	151 Å²	151	62 Å²	62	77%	0.774	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-4	176.3	64.9	173.6	0	0	0	112.7	L148	L148-I150 PolarHBondContact O-N 3.02Å
151	L	75.5	Confident	68.9	Low	33 Å²	33	58 Å²	58	17%	0.173	31%	0.306	C	S	.	.	S	Bend	trans	-115.2	143.7	-175.8	-53.4	176.6	0	0	0	109.9	L148 Q149 V153 T167 Y173	L148-L151 HydrophobicContact CD2-CD1 3.79Å; L148-L151 WeakPolarHBondContact O-CB 3.23Å; L148-L151 PolarHBondContact O-N 2.87Å; L148-L151 VanDerWaalsContact O-O 3.11Å; Q149-L151 PolarHBondContact O-N 2.85Å; L151-V153 HydrophobicContact CB-CG2 4.33Å; L151-V153 PolarHBondContact O-N 2.91Å; L151-T167 HydrophobicContact CB-CG2 3.93Å; L151-T167 HydrophobicContact CD1-CG2 4.1Å; L151-T167 HydrophobicContact CG-CG2 4.42Å; L151-Y173 HydrophobicContact CD1-CD1 3.94Å; L151-Y173 HydrophobicContact CD1-CD2 3.8Å; L151-Y173 HydrophobicContact CD1-CE1 3.72Å; L151-Y173 HydrophobicContact CD1-CE2 3.57Å; L151-Y173 HydrophobicContact CD1-CG 3.99Å; L151-Y173 HydrophobicContact CD2-CE1 4.46Å; L151-Y173 HydrophobicContact CD2-CE2 4.21Å; L151-Y173 WeakPolarHBondContact CD2-OH 3.07Å
152	T	79.8	Confident	69.4	Low	43 Å²	43	51 Å²	51	26%	0.264	27%	0.273	S	S	.	.			trans	-86.6	93.3	167.7	-55.7	0	0	0	0	108.3	E118 T167 D168	E118-T152 HydrophobicContact CB-CG2 4.28Å; E118-T152 HydrophobicContact CG-CG2 3.78Å; T152-T167 CarbonylContact O-C 3.58Å; T152-T167 WeakPolarHBondContact O-CA 3.26Å; T152-D168 VanDerWaalsContact CB-CG 3.42Å; T152-D168 WeakPolarHBondContact CB-OD1 3.29Å; T152-D168 HydrophobicContact CG2-CB 3.89Å; T152-D168 PolarHBondContact O-N 3.41Å
153	V	77.5	Confident	70	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	125.2	179.3	179.4	0	0	0	0	109.9	L115 E118 V120 L148 L151 Q155 I156 C165	L115-V153 HydrophobicContact CD1-CB 4.01Å; L115-V153 HydrophobicContact CD1-CG1 3.89Å; L115-V153 HydrophobicContact CD2-CG1 4.47Å; E118-V153 PolarHBondContact O-N 3.38Å; V120-V153 HydrophobicContact CG2-CB 3.85Å; V120-V153 HydrophobicContact CG2-CG1 3.64Å; V120-V153 HydrophobicContact CG2-CG2 3.87Å; L148-V153 HydrophobicContact CB-CG2 4.5Å; L151-V153 HydrophobicContact CB-CG2 4.33Å; L151-V153 PolarHBondContact O-N 2.91Å; V153-Q155 WeakPolarHBondContact CG1-O 3.43Å; V153-I156 HydrophobicContact CG1-CG2 3.93Å; V153-C165 HydrophobicContact CG1-CB 3.7Å; V153-C165 HydrophobicContact CG2-CB 4.38Å
154	T	77.4	Confident	70.5	Confident	57 Å²	57	45.3 Å²	45.3	35%	0.35	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-28.4	178.4	59.3	0	0	0	0	112.5	L115 L166 D168	L115-T154 VanDerWaalsContact CD2-C 3.5Å; L115-T154 VanDerWaalsContact CD2-O 3.28Å; L115-T154 WeakPolarHBondContact CD2-O 3.47Å; T154-L166 PolarHBondContact N-O 2.62Å; T154-L166 PolarHBondContact OG1-O 3.15Å; T154-D168 HydrophobicContact CG2-CB 3.74Å
155	Q	72.7	Confident	70.8	Confident	47 Å²	47	41.2 Å²	41.2	22%	0.22	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	151.8	-178.9	-53.5	173.6	6.6	0	0	112.6	V153 C165 L166 I223	V153-Q155 WeakPolarHBondContact CG1-O 3.43Å; Q155-C165 CarbonylContact O-C 3.44Å; Q155-C165 VanDerWaalsContact O-CA 3.25Å; Q155-C165 WeakPolarHBondContact O-CA 3.29Å; Q155-C165 WeakPolarHBondContact O-CB 3.39Å; Q155-L166 HydrophobicContact CB-CB 4.19Å; Q155-L166 PolarHBondContact N-O 3.17Å; Q155-L166 PolarHBondContact O-N 2.86Å; Q155-I223 VanDerWaalsContact OE1-CG2 3.26Å
156	I	72.9	Confident	71	Confident	10 Å²	10	41.6 Å²	41.6	5%	0.051	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.7	174.7	58.3	169.9	0	0	0	110.8	Q104 A106 Y113 L115 V120 V153 V164 C165	Q104-I156 HydrophobicContact CB-CD1 4.34Å; Q104-I156 HydrophobicContact CB-CG1 3.89Å; A106-I156 HydrophobicContact CB-CB 4.23Å; A106-I156 HydrophobicContact CB-CD1 3.96Å; A106-I156 HydrophobicContact CB-CG1 3.97Å; Y113-I156 WeakPolarHBondContact O-CD1 3.3Å; L115-I156 HydrophobicContact CB-CD1 3.99Å; L115-I156 HydrophobicContact CB-CG1 4.11Å; L115-I156 HydrophobicContact CB-CG2 4.41Å; V120-I156 HydrophobicContact CG1-CG2 4.2Å; V120-I156 HydrophobicContact CG2-CG2 3.67Å; V153-I156 HydrophobicContact CG1-CG2 3.93Å; I156-V164 WeakPolarHBondContact CA-O 2.91Å; I156-C165 HydrophobicContact CG2-CB 3.98Å
157	A	71.9	Confident	71.5	Confident	4 Å²	4	34.5 Å²	34.5	3%	0.033	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	163.8	168.1	0	0	0	0	0	109.3	V164 V226 V235	A157-V164 HydrophobicContact CB-CG1 3.74Å; A157-V164 PolarHBondContact N-O 2.75Å; A157-V164 VanDerWaalsContact O-CG1 3.23Å; A157-V164 WeakPolarHBondContact O-CG1 3.38Å; A157-V164 PolarHBondContact O-N 2.83Å; A157-V226 HydrophobicContact CB-CG2 3.46Å; A157-V226 VanDerWaalsContact CB-CG2 3.46Å; A157-V235 HydrophobicContact CB-CG1 4.2Å
158	A	69.3	Low	72.2	Confident	18 Å²	18	36.3 Å²	36.3	15%	0.149	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	151.1	177.9	0	0	0	0	0	109.5	A106 S107 D108 Y113 H162	A106-A158 HydrophobicContact CB-CB 4Å; S107-A158 WeakPolarHBondContact O-CB 3.38Å; D108-A158 HydrophobicContact CB-CB 4.05Å; Y113-A158 HydrophobicContact CD2-CB 4.41Å; Y113-A158 HydrophobicContact CE2-CB 4.46Å; A158-H162 WeakPolarHBondContact CA-O 3.27Å
159	G	65.2	Low	72.5	Confident	11 Å²	11	40.3 Å²	40.3	11%	0.113	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	-175.3	167.5	0	0	0	0	0	110.2	D108 W161 H162 Y228	D108-G159 WeakPolarHBondContact CA-O 3.43Å; D108-G159 WeakPolarHBondContact CB-O 3.13Å; G159-W161 PolarHBondContact O-N 2.98Å; G159-H162 PolarHBondContact N-O 3.38Å; G159-H162 PolarHBondContact O-N 2.8Å; G159-H162 VanDerWaalsContact O-O 3.11Å; G159-Y228 WeakPolarHBondContact CA-OH 3.24Å
160	N	63.9	Low	72.4	Confident	96 Å²	96	36.8 Å²	36.8	51%	0.513	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-17.5	-160.8	-155.1	-92.8	0	0	0	118.3	D108	D108-N160 CarbonylContact O-C 3.54Å; D108-N160 WeakPolarHBondContact O-CA 3.06Å
161	W	67.8	Low	72.3	Confident	58 Å²	58	31.5 Å²	31.5	22%	0.22	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-156.6	17.4	177.8	-65.5	100.2	0	0	0	113.3	H110 R128 G159 W177	H110-W161 AromaticContact CE1-CH2 2.88Å; H110-W161 WeakPolarHBondContact CE1-CH2 3.21Å; H110-W161 AromaticContact CE1-CZ2 3.33Å; H110-W161 WeakPolarHBondContact CE1-CZ2 3.34Å; H110-W161 AromaticContact CE1-CZ3 3.4Å; H110-W161 WeakPolarHBondContact CE1-CZ3 3.2Å; H110-W161 AromaticContact CG-CZ3 3.88Å; H110-W161 AromaticContact ND1-CE3 3.98Å; H110-W161 AromaticContact ND1-CH2 3.39Å; H110-W161 WeakPolarHBondContact ND1-CH2 3.42Å; H110-W161 AromaticContact ND1-CZ2 3.93Å; H110-W161 AromaticContact ND1-CZ3 3.36Å; H110-W161 WeakPolarHBondContact ND1-CZ3 3.27Å; H110-W161 AromaticContact NE2-CH2 3.26Å; H110-W161 VanDerWaalsContact NE2-CH2 3.26Å; H110-W161 WeakPolarHBondContact NE2-CH2 3.5Å; H110-W161 AromaticContact NE2-CZ3 3.8Å; R128-W161 HydrophobicContact CB-CE3 4.48Å; R128-W161 HydrophobicContact CB-CZ3 4.47Å; R128-W161 HydrophobicContact CG-CZ3 4.1Å; G159-W161 PolarHBondContact O-N 2.98Å; W161-W177 HydrophobicContact CB-CB 3.58Å; W161-W177 HydrophobicContact CB-CG 4.24Å; W161-W177 WeakPolarHBondContact O-CB 3.39Å; W161-W177 PolarHBondContact O-N 2.74Å
162	H	65.9	Low	72	Confident	9 Å²	9	30.4 Å²	30.4	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	157.6	179.2	62.8	-78.2	0	0	0	110.8	A158 G159 W175 Q182 L183 Y228	A158-H162 WeakPolarHBondContact CA-O 3.27Å; G159-H162 PolarHBondContact N-O 3.38Å; G159-H162 PolarHBondContact O-N 2.8Å; G159-H162 VanDerWaalsContact O-O 3.11Å; H162-W175 WeakPolarHBondContact CA-O 2.88Å; H162-W175 WeakPolarHBondContact CB-O 3.36Å; H162-Q182 HydrophobicContact CB-CG 4.08Å; H162-L183 HydrophobicContact CB-CD2 3.71Å; H162-Y228 AromaticContact CE1-CE1 3.57Å; H162-Y228 AromaticContact CE1-CZ 3.4Å; H162-Y228 VanDerWaalsContact CE1-CZ 3.4Å; H162-Y228 PolarHBondContact CE1-OH 3.1Å; H162-Y228 AromaticContact NE2-CE1 3.67Å; H162-Y228 AromaticContact NE2-CZ 3.6Å; H162-Y228 PolarHBondContact NE2-OH 3.12Å
163	S	72	Confident	71.6	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.007	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	151	-170.3	-60.3	0	0	0	0	109.2	Y113 T174 W175	Y113-S163 WeakPolarHBondContact CE2-OG 3.12Å; Y113-S163 PolarHBondContact OH-OG 2.9Å; S163-T174 CarbonylContact O-C 2.98Å; S163-T174 VanDerWaalsContact O-CA 3.23Å; S163-T174 WeakPolarHBondContact O-CA 3.15Å; S163-W175 VanDerWaalsContact CB-CE2 3.45Å; S163-W175 PolarHBondContact N-O 2.9Å; S163-W175 PolarHBondContact O-N 2.61Å
164	V	73.9	Confident	71.3	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	140.8	-177.2	58.6	0	0	0	0	109.8	I156 A157 V172 Y173 T174 V226 V235	I156-V164 WeakPolarHBondContact CA-O 2.91Å; A157-V164 HydrophobicContact CB-CG1 3.74Å; A157-V164 PolarHBondContact N-O 2.75Å; A157-V164 VanDerWaalsContact O-CG1 3.23Å; A157-V164 WeakPolarHBondContact O-CG1 3.38Å; A157-V164 PolarHBondContact O-N 2.83Å; V164-V172 HydrophobicContact CG2-CG1 3.39Å; V164-Y173 CarbonylContact C-O 3.52Å; V164-Y173 VanDerWaalsContact CA-O 3.25Å; V164-Y173 WeakPolarHBondContact CA-O 3.47Å; V164-T174 HydrophobicContact CB-CG2 4Å; V164-T174 HydrophobicContact CG2-CG2 3.73Å; V164-V226 HydrophobicContact CG1-CG2 3.72Å; V164-V235 HydrophobicContact CB-CG2 4.46Å; V164-V235 HydrophobicContact CG1-CG1 4.2Å; V164-V235 HydrophobicContact CG1-CG2 3.79Å; V164-V235 HydrophobicContact CG2-CG2 4.02Å
165	C	72	Confident	71.1	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.014	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	149.5	167	73.6	0	0	0	0	111.5	V153 Q155 I156 V172 Y173 W175	V153-C165 HydrophobicContact CG1-CB 3.7Å; V153-C165 HydrophobicContact CG2-CB 4.38Å; Q155-C165 CarbonylContact O-C 3.44Å; Q155-C165 VanDerWaalsContact O-CA 3.25Å; Q155-C165 WeakPolarHBondContact O-CA 3.29Å; Q155-C165 WeakPolarHBondContact O-CB 3.39Å; I156-C165 HydrophobicContact CG2-CB 3.98Å; C165-V172 WeakPolarHBondContact O-CA 3.03Å; C165-Y173 PolarHBondContact N-O 3.03Å; C165-Y173 PolarHBondContact O-N 2.7Å; C165-W175 HydrophobicContact CB-CH2 3.93Å; C165-W175 HydrophobicContact CB-CZ3 3.98Å
166	L	73.1	Confident	70.9	Confident	13 Å²	13	26 Å²	26	7%	0.068	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.7	173.8	176.3	63.7	0	0	0	108.6	T154 Q155 V172 L211 I223 Y238	T154-L166 PolarHBondContact N-O 2.62Å; T154-L166 PolarHBondContact OG1-O 3.15Å; Q155-L166 HydrophobicContact CB-CB 4.19Å; Q155-L166 PolarHBondContact N-O 3.17Å; Q155-L166 PolarHBondContact O-N 2.86Å; L166-V172 HydrophobicContact CD1-CG2 3.83Å; L166-L211 HydrophobicContact CD1-CD1 3.54Å; L166-L211 HydrophobicContact CD1-CG 4.08Å; L166-I223 HydrophobicContact CD2-CD1 4.37Å; L166-Y238 HydrophobicContact CD2-CE2 4.24Å
167	T	75.7	Confident	70.6	Confident	4 Å²	4	27.8 Å²	27.8	3%	0.025	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	166.3	176.5	56.5	0	0	0	0	111.9	L151 T152 T169 G170 D171 Y173	L151-T167 HydrophobicContact CB-CG2 3.93Å; L151-T167 HydrophobicContact CD1-CG2 4.1Å; L151-T167 HydrophobicContact CG-CG2 4.42Å; T152-T167 CarbonylContact O-C 3.58Å; T152-T167 WeakPolarHBondContact O-CA 3.26Å; T167-T169 VanDerWaalsContact C-N 3.26Å; T167-T169 PolarHBondContact O-N 2.97Å; T167-T169 PolarHBondContact OG1-OG1 3.4Å; T167-G170 PolarHBondContact O-N 3.17Å; T167-G170 VanDerWaalsContact O-N 3.11Å; T167-D171 PolarHBondContact N-O 2.79Å; T167-D171 WeakPolarHBondContact OG1-CA 3.33Å; T167-D171 WeakPolarHBondContact OG1-CB 3.3Å; T167-D171 PolarHBondContact OG1-N 3.11Å; T167-D171 PolarHBondContact OG1-O 2.78Å; T167-Y173 HydrophobicContact CG2-CD2 3.77Å; T167-Y173 HydrophobicContact CG2-CE2 3.52Å
168	D	77.7	Confident	70.5	Confident	98 Å²	98	28 Å²	28	52%	0.524	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-27.6	175.1	67.9	-23.2	0	0	0	113.4	T152 T154 G170	T152-D168 VanDerWaalsContact CB-CG 3.42Å; T152-D168 WeakPolarHBondContact CB-OD1 3.29Å; T152-D168 HydrophobicContact CG2-CB 3.89Å; T152-D168 PolarHBondContact O-N 3.41Å; T154-D168 HydrophobicContact CG2-CB 3.74Å; D168-G170 PolarHBondContact O-N 3.03Å
169	T	74.2	Confident	70.3	Confident	96 Å²	96	32.1 Å²	32.1	59%	0.589	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-13.8	172.5	58.5	0	0	0	0	112.6	T167 D171	T167-T169 VanDerWaalsContact C-N 3.26Å; T167-T169 PolarHBondContact O-N 2.97Å; T167-T169 PolarHBondContact OG1-OG1 3.4Å; T169-D171 PolarHBondContact OG1-OD2 3.01Å
170	G	69.1	Low	70.2	Confident	19 Å²	19	37.2 Å²	37.2	20%	0.196	19%	0.188	C	C	.	.	S	Bend	trans	83.8	20.3	-173.9	0	0	0	0	0	113	T167 D168 L211	T167-G170 PolarHBondContact O-N 3.17Å; T167-G170 VanDerWaalsContact O-N 3.11Å; D168-G170 PolarHBondContact O-N 3.03Å; G170-L211 WeakPolarHBondContact O-CB 3.2Å; G170-L211 WeakPolarHBondContact O-CD1 3.46Å; G170-L211 WeakPolarHBondContact O-CG 3.25Å; G170-L211 PolarHBondContact O-N 2.79Å
171	D	71.5	Confident	70.1	Confident	40 Å²	40	33 Å²	33	21%	0.214	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	139.2	172.1	-58.9	-45.2	0	0	0	110.3	T167 T169 Y173	T167-D171 PolarHBondContact N-O 2.79Å; T167-D171 WeakPolarHBondContact OG1-CA 3.33Å; T167-D171 WeakPolarHBondContact OG1-CB 3.3Å; T167-D171 PolarHBondContact OG1-N 3.11Å; T167-D171 PolarHBondContact OG1-O 2.78Å; T169-D171 PolarHBondContact OG1-OD2 3.01Å; D171-Y173 HydrophobicContact CB-CD2 4.41Å; D171-Y173 HydrophobicContact CB-CE2 3.65Å
172	V	69.2	Low	70	Confident	10 Å²	10	30.6 Å²	30.6	6%	0.061	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.6	176.9	173.9	0	0	0	0	109.6	V164 C165 L166 T174 L209 L211	V164-V172 HydrophobicContact CG2-CG1 3.39Å; C165-V172 WeakPolarHBondContact O-CA 3.03Å; L166-V172 HydrophobicContact CD1-CG2 3.83Å; V172-T174 HydrophobicContact CG1-CG2 4.04Å; V172-L209 PolarHBondContact N-O 2.99Å; V172-L209 PolarHBondContact O-N 3.04Å; V172-L211 HydrophobicContact CG2-CD2 3.45Å; V172-L211 VanDerWaalsContact CG2-CD2 3.45Å; V172-L211 HydrophobicContact CG2-CG 3.79Å
173	Y	70.1	Confident	70	Confident	43 Å²	43	30.2 Å²	30.2	17%	0.169	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.5	175.3	-64.7	-103.4	0	0	0	108.2	L151 V164 C165 T167 D171 S207 V208	L151-Y173 HydrophobicContact CD1-CD1 3.94Å; L151-Y173 HydrophobicContact CD1-CD2 3.8Å; L151-Y173 HydrophobicContact CD1-CE1 3.72Å; L151-Y173 HydrophobicContact CD1-CE2 3.57Å; L151-Y173 HydrophobicContact CD1-CG 3.99Å; L151-Y173 HydrophobicContact CD2-CE1 4.46Å; L151-Y173 HydrophobicContact CD2-CE2 4.21Å; L151-Y173 WeakPolarHBondContact CD2-OH 3.07Å; V164-Y173 CarbonylContact C-O 3.52Å; V164-Y173 VanDerWaalsContact CA-O 3.25Å; V164-Y173 WeakPolarHBondContact CA-O 3.47Å; C165-Y173 PolarHBondContact N-O 3.03Å; C165-Y173 PolarHBondContact O-N 2.7Å; T167-Y173 HydrophobicContact CG2-CD2 3.77Å; T167-Y173 HydrophobicContact CG2-CE2 3.52Å; D171-Y173 HydrophobicContact CB-CD2 4.41Å; D171-Y173 HydrophobicContact CB-CE2 3.65Å; Y173-S207 WeakPolarHBondContact CA-O 3.06Å; Y173-V208 HydrophobicContact CD1-CB 4.23Å; Y173-V208 HydrophobicContact CD1-CG1 4Å; Y173-V208 HydrophobicContact CD1-CG2 3.53Å; Y173-V208 HydrophobicContact CE1-CB 4.06Å; Y173-V208 HydrophobicContact CE1-CG1 3.51Å; Y173-V208 HydrophobicContact CE1-CG2 3.42Å; Y173-V208 VanDerWaalsContact CE1-CG2 3.42Å; Y173-V208 HydrophobicContact CE2-CG1 4.25Å
174	T	72	Confident	69.6	Low	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.2	174.4	72.5	0	0	0	0	110.4	S163 V164 V172 L183 V206 S207 I240	S163-T174 CarbonylContact O-C 2.98Å; S163-T174 VanDerWaalsContact O-CA 3.23Å; S163-T174 WeakPolarHBondContact O-CA 3.15Å; V164-T174 HydrophobicContact CB-CG2 4Å; V164-T174 HydrophobicContact CG2-CG2 3.73Å; V172-T174 HydrophobicContact CG1-CG2 4.04Å; T174-L183 WeakPolarHBondContact OG1-CA 3.41Å; T174-L183 VanDerWaalsContact OG1-CB 3.29Å; T174-L183 WeakPolarHBondContact OG1-CB 3.25Å; T174-L183 PolarHBondContact OG1-O 2.91Å; T174-V206 CarbonylContact O-C 3.57Å; T174-V206 WeakPolarHBondContact O-CA 3.39Å; T174-S207 PolarHBondContact N-O 3.36Å; T174-S207 PolarHBondContact O-N 3.14Å; T174-S207 WeakPolarHBondContact OG1-CB 3.26Å; T174-S207 PolarHBondContact OG1-OG 2.85Å; T174-I240 HydrophobicContact CG2-CD1 4.33Å
175	W	72.1	Confident	69	Low	11 Å²	11	32.7 Å²	32.7	4%	0.042	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	161.5	175.5	63.2	93.6	0	0	0	112.3	Y113 Q130 I145 L148 H162 S163 C165 L183 C205 V206	Y113-W175 HydrophobicContact CD1-CZ2 4.19Å; Y113-W175 AromaticContact CE1-CZ2 3.98Å; Y113-W175 HydrophobicContact CE1-CZ2 3.98Å; Y113-W175 AromaticContact CE1-NE1 3.79Å; Q130-W175 PolarHBondContact O-NE1 2.84Å; I145-W175 HydrophobicContact CD1-CZ2 4.16Å; L148-W175 HydrophobicContact CD1-CH2 3.69Å; L148-W175 HydrophobicContact CD1-CZ2 4.15Å; L148-W175 HydrophobicContact CD1-CZ3 4.12Å; L148-W175 HydrophobicContact CD2-CZ3 4.41Å; H162-W175 WeakPolarHBondContact CA-O 2.88Å; H162-W175 WeakPolarHBondContact CB-O 3.36Å; S163-W175 VanDerWaalsContact CB-CE2 3.45Å; S163-W175 PolarHBondContact N-O 2.9Å; S163-W175 PolarHBondContact O-N 2.61Å; C165-W175 HydrophobicContact CB-CH2 3.93Å; C165-W175 HydrophobicContact CB-CZ3 3.98Å; W175-L183 VanDerWaalsContact C-CD2 3.49Å; W175-C205 CarbonylContact C-O 3.6Å; W175-C205 WeakPolarHBondContact CA-O 3.4Å; W175-C205 WeakPolarHBondContact CB-O 3.33Å; W175-V206 HydrophobicContact CB-CG2 4.2Å
176	G	69.3	Low	68.2	Low	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	118	-147.5	175.7	0	0	0	0	0	113.7	N178 C205	G176-N178 PolarHBondContact O-N 2.87Å; G176-C205 PolarHBondContact N-O 3Å
177	W	67.2	Low	67.5	Low	49 Å²	49	42.9 Å²	42.9	19%	0.186	21%	0.211	C	C	.	.			trans	-63.9	134.1	-178.3	-160.1	-115.1	0	0	0	109.1	R128 W161 E179 Q182	R128-W177 HydrophobicContact CB-CE3 4.21Å; R128-W177 HydrophobicContact CB-CZ3 4.49Å; W161-W177 HydrophobicContact CB-CB 3.58Å; W161-W177 HydrophobicContact CB-CG 4.24Å; W161-W177 WeakPolarHBondContact O-CB 3.39Å; W161-W177 PolarHBondContact O-N 2.74Å; W177-E179 HydrophobicContact CZ2-CB 4.43Å; W177-E179 PolarHBondContact NE1-OE2 2.75Å; W177-Q182 VanDerWaalsContact C-NE2 3.3Å; W177-Q182 WeakPolarHBondContact O-CG 2.96Å; W177-Q182 PolarHBondContact O-NE2 3.23Å
178	N	69.4	Low	66.7	Low	7 Å²	7	46 Å²	46	4%	0.037	23%	0.227	C	C	.	.			trans	-128.1	19.6	-178.5	-161.9	29.5	0	0	0	113.3	G176 H180 G181 Q182 L183 H185 S187 S204	G176-N178 PolarHBondContact O-N 2.87Å; N178-H180 PolarHBondContact O-N 2.68Å; N178-H180 VanDerWaalsContact O-N 3.1Å; N178-G181 PolarHBondContact O-N 3.39Å; N178-G181 WeakPolarHBondContact OD1-CA 3.39Å; N178-Q182 PolarHBondContact OD1-N 3.13Å; N178-Q182 VanDerWaalsContact OD1-N 3.16Å; N178-L183 HydrophobicContact CB-CB 4.45Å; N178-L183 HydrophobicContact CB-CD1 3.68Å; N178-L183 HydrophobicContact CB-CG 3.77Å; N178-L183 WeakPolarHBondContact OD1-CB 3.23Å; N178-L183 WeakPolarHBondContact OD1-CG 2.97Å; N178-L183 PolarHBondContact OD1-N 2.61Å; N178-L183 VanDerWaalsContact OD1-N 3.08Å; N178-H185 PolarHBondContact ND2-CD2 2.7Å; N178-H185 VanDerWaalsContact ND2-CD2 3.28Å; N178-H185 PolarHBondContact ND2-NE2 2.6Å; N178-H185 VanDerWaalsContact ND2-NE2 3.12Å; N178-H185 PolarHBondContact ND2-O 2.93Å; N178-S187 WeakPolarHBondContact O-CB 2.93Å; N178-S187 PolarHBondContact O-OG 2.76Å; N178-S187 VanDerWaalsContact O-OG 3.12Å; N178-S204 WeakPolarHBondContact CB-O 3.1Å; N178-S204 PolarHBondContact ND2-O 3.15Å
179	E	64.4	Low	65.4	Low	106 Å²	106	46.3 Å²	46.3	50%	0.495	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-34.5	-174.5	-178.9	178.5	-178.4	0	0	113.4	W177 S187	W177-E179 HydrophobicContact CZ2-CB 4.43Å; W177-E179 PolarHBondContact NE1-OE2 2.75Å; E179-S187 WeakPolarHBondContact CA-OG 3.38Å; E179-S187 VanDerWaalsContact O-CB 3.23Å; E179-S187 WeakPolarHBondContact O-CB 3.45Å; E179-S187 PolarHBondContact O-OG 2.84Å; E179-S187 VanDerWaalsContact O-OG 3.1Å
180	H	63.6	Low	64.3	Low	117 Å²	117	43.9 Å²	43.9	54%	0.542	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-7.2	-179.3	-57.3	-48.5	0	0	0	113.1	N178 Y243	N178-H180 PolarHBondContact O-N 2.68Å; N178-H180 VanDerWaalsContact O-N 3.1Å; H180-Y243 WeakPolarHBondContact O-CE1 3.36Å
181	G	62.4	Low	63.1	Low	8 Å²	8	47.6 Å²	47.6	8%	0.082	24%	0.243	C	C	.	.	S	Bend	trans	93.1	17.5	-173.9	0	0	0	0	0	114.3	N178 L183 G184 H185	N178-G181 PolarHBondContact O-N 3.39Å; N178-G181 WeakPolarHBondContact OD1-CA 3.39Å; G181-L183 PolarHBondContact O-N 3.26Å; G181-L183 VanDerWaalsContact O-N 3.12Å; G181-G184 PolarHBondContact O-N 3.41Å; G181-H185 VanDerWaalsContact CA-O 3.27Å; G181-H185 WeakPolarHBondContact CA-O 3.29Å
182	Q	64.2	Low	61.6	Low	8 Å²	8	52.5 Å²	52.5	4%	0.037	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.3	-177.4	57	-97.3	53.7	0	0	115.2	H162 W177 N178 G184 Y243	H162-Q182 HydrophobicContact CB-CG 4.08Å; W177-Q182 VanDerWaalsContact C-NE2 3.3Å; W177-Q182 WeakPolarHBondContact O-CG 2.96Å; W177-Q182 PolarHBondContact O-NE2 3.23Å; N178-Q182 PolarHBondContact OD1-N 3.13Å; N178-Q182 VanDerWaalsContact OD1-N 3.16Å; Q182-G184 PolarHBondContact O-N 2.87Å; Q182-Y243 VanDerWaalsContact CA-CE2 3.44Å; Q182-Y243 VanDerWaalsContact CA-CZ 3.5Å; Q182-Y243 WeakPolarHBondContact CA-OH 3.21Å; Q182-Y243 HydrophobicContact CB-CE2 4.11Å; Q182-Y243 WeakPolarHBondContact CB-OH 3.47Å; Q182-Y243 PolarHBondContact N-OH 2.82Å
183	L	66.4	Low	60.4	Low	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	3	175.7	-56.7	-169.8	0	0	0	113	H162 T174 W175 N178 G181 H185 C205 S207	H162-L183 HydrophobicContact CB-CD2 3.71Å; T174-L183 WeakPolarHBondContact OG1-CA 3.41Å; T174-L183 VanDerWaalsContact OG1-CB 3.29Å; T174-L183 WeakPolarHBondContact OG1-CB 3.25Å; T174-L183 PolarHBondContact OG1-O 2.91Å; W175-L183 VanDerWaalsContact C-CD2 3.49Å; N178-L183 HydrophobicContact CB-CB 4.45Å; N178-L183 HydrophobicContact CB-CD1 3.68Å; N178-L183 HydrophobicContact CB-CG 3.77Å; N178-L183 WeakPolarHBondContact OD1-CB 3.23Å; N178-L183 WeakPolarHBondContact OD1-CG 2.97Å; N178-L183 PolarHBondContact OD1-N 2.61Å; N178-L183 VanDerWaalsContact OD1-N 3.08Å; G181-L183 PolarHBondContact O-N 3.26Å; G181-L183 VanDerWaalsContact O-N 3.12Å; L183-H185 VanDerWaalsContact CB-CE1 3.5Å; L183-H185 WeakPolarHBondContact CB-CE1 3.33Å; L183-C205 WeakPolarHBondContact CD1-O 3.27Å; L183-S207 WeakPolarHBondContact O-CB 2.98Å; L183-S207 PolarHBondContact O-OG 3.1Å
184	G	64.1	Low	59.3	Low	1 Å²	1	61.5 Å²	61.5	1%	0.01	32%	0.319	C	S	.	.	S	Bend	trans	79.6	21.8	-176.6	0	0	0	0	0	113.6	G181 Q182 Y242	G181-G184 PolarHBondContact O-N 3.41Å; Q182-G184 PolarHBondContact O-N 2.87Å; G184-Y242 WeakPolarHBondContact CA-O 3.41Å; G184-Y242 WeakPolarHBondContact O-CB 3.28Å; G184-Y242 VanDerWaalsContact O-CD2 3.3Å; G184-Y242 WeakPolarHBondContact O-CD2 3.2Å
185	H	61.5	Low	58.2	Low	54 Å²	54	68.5 Å²	68.5	25%	0.25	36%	0.356	C	S	.	.	S	Bend	trans	-151	164.4	167.9	57.2	-88.2	0	0	0	110.6	N178 G181 L183 S187 S204 V206 S207	N178-H185 PolarHBondContact ND2-CD2 2.7Å; N178-H185 VanDerWaalsContact ND2-CD2 3.28Å; N178-H185 PolarHBondContact ND2-NE2 2.6Å; N178-H185 VanDerWaalsContact ND2-NE2 3.12Å; N178-H185 PolarHBondContact ND2-O 2.93Å; G181-H185 VanDerWaalsContact CA-O 3.27Å; G181-H185 WeakPolarHBondContact CA-O 3.29Å; L183-H185 VanDerWaalsContact CB-CE1 3.5Å; L183-H185 WeakPolarHBondContact CB-CE1 3.33Å; H185-S187 PolarHBondContact O-N 3.4Å; H185-S204 PolarHBondContact NE2-O 3.26Å; H185-V206 PolarHBondContact CE1-O 3.38Å; H185-S207 WeakPolarHBondContact CE1-CB 3.42Å; H185-S207 WeakPolarHBondContact ND1-CB 3.3Å
186	R	56	Low	57.2	Low	198 Å²	198	72 Å²	72	75%	0.747	38%	0.383	S	S	*	.			trans	-63.1	133	-175.4	-68.1	-178.5	179.1	-123.4	1.1	111.5
187	S	58.4	Low	56.5	Low	32 Å²	32	76.2 Å²	76.2	22%	0.224	40%	0.404	C	S	.	.			trans	-59.2	133.9	166.4	-174.5	0	0	0	0	111.1	N178 E179 H185 S189	N178-S187 WeakPolarHBondContact O-CB 2.93Å; N178-S187 PolarHBondContact O-OG 2.76Å; N178-S187 VanDerWaalsContact O-OG 3.12Å; E179-S187 WeakPolarHBondContact CA-OG 3.38Å; E179-S187 VanDerWaalsContact O-CB 3.23Å; E179-S187 WeakPolarHBondContact O-CB 3.45Å; E179-S187 PolarHBondContact O-OG 2.84Å; E179-S187 VanDerWaalsContact O-OG 3.1Å; H185-S187 PolarHBondContact O-N 3.4Å; S187-S189 VanDerWaalsContact C-N 3.26Å; S187-S189 PolarHBondContact O-N 2.92Å; S187-S189 PolarHBondContact OG-N 2.98Å
188	L	58	Low	55.9	Low	68 Å²	68	77.5 Å²	77.5	36%	0.356	42%	0.418	S	S	.	.			trans	-90.4	49.5	167.4	-69.6	177.2	0	0	0	111.2	I190 K200	L188-I190 HydrophobicContact CB-CG1 4.36Å; L188-I190 VanDerWaalsContact O-CG1 3.28Å; L188-I190 WeakPolarHBondContact O-CG1 3.19Å; L188-I190 PolarHBondContact O-N 3.35Å; L188-K200 HydrophobicContact CD1-CD 4.04Å; L188-K200 HydrophobicContact CD1-CG 3.68Å
189	S	50.7	Low	55.4	Low	106 Å²	106	82.8 Å²	82.8	74%	0.741	44%	0.442	S	S	*	.			trans	39.3	48.8	169.8	-45.2	0	0	0	0	114.5	S187 S191	S187-S189 VanDerWaalsContact C-N 3.26Å; S187-S189 PolarHBondContact O-N 2.92Å; S187-S189 PolarHBondContact OG-N 2.98Å; S189-S191 VanDerWaalsContact C-N 3.25Å; S189-S191 PolarHBondContact O-N 3.5Å
190	I	50	Low	55.1	Low	45 Å²	45	84.8 Å²	84.8	23%	0.231	45%	0.449	C	S	.	.			trans	-81.8	75.4	-172.2	-49.7	174.9	0	0	0	108.1	L188 N192 E201	L188-I190 HydrophobicContact CB-CG1 4.36Å; L188-I190 VanDerWaalsContact O-CG1 3.28Å; L188-I190 WeakPolarHBondContact O-CG1 3.19Å; L188-I190 PolarHBondContact O-N 3.35Å; I190-N192 PolarHBondContact O-N 3.05Å; I190-E201 HydrophobicContact CD1-CB 4.1Å; I190-E201 HydrophobicContact CD1-CG 4.28Å; I190-E201 HydrophobicContact CG1-CG 4.33Å
191	S	43.7	Very low	54.7	Low	97 Å²	97	81.2 Å²	81.2	68%	0.678	43%	0.433	S	S	*	.			trans	-79.9	105.6	172.8	56.4	0	0	0	0	109.7	S189 K193	S189-S191 VanDerWaalsContact C-N 3.25Å; S189-S191 PolarHBondContact O-N 3.5Å; S191-K193 PolarHBondContact O-N 3.19Å
192	N	40.8	Very low	54.4	Low	142 Å²	142	86.3 Å²	86.3	76%	0.759	45%	0.45	S	S	*	.	S	Bend	trans	47.4	42.7	152.6	-59.4	-18.2	0	0	0	118.5	I190	I190-N192 PolarHBondContact O-N 3.05Å
193	K	43.9	Very low	54	Low	157 Å²	157	92.8 Å²	92.8	68%	0.683	48%	0.478	S	S	*	.			trans	-98	97.9	163.6	-78.8	-174.7	177.1	179.3	0	109.6	S191 D195	S191-K193 PolarHBondContact O-N 3.19Å; K193-D195 VanDerWaalsContact C-N 3.25Å; K193-D195 PolarHBondContact O-N 3.12Å
194	S	47.6	Very low	53.6	Low	86 Å²	86	93 Å²	93	60%	0.601	48%	0.479	S	S	*	.			trans	-67.9	-21.2	177.5	54.7	0	0	0	0	113.6
195	D	49.4	Very low	53.2	Low	146 Å²	146	94.4 Å²	94.4	78%	0.781	49%	0.488	S	S	*	.	S	Bend	trans	-110.8	-0.3	-157.3	-63.8	-6.8	0	0	0	116.5	K193	K193-D195 VanDerWaalsContact C-N 3.25Å; K193-D195 PolarHBondContact O-N 3.12Å
196	S	50.9	Low	52.9	Low	86 Å²	86	95 Å²	95	60%	0.601	50%	0.495	S	S	*	.			trans	-168	99.7	167	63.6	0	0	0	0	111.4
197	I	53.8	Low	53	Low	87 Å²	87	86 Å²	86	45%	0.446	46%	0.463	S	S	.	.			trans	-79.7	119.7	173	-56.4	176.3	0	0	0	108.1	L136 E201 R202	L136-I197 HydrophobicContact CD1-CD1 4.14Å; L136-I197 HydrophobicContact CD2-CD1 4.44Å; L136-I197 HydrophobicContact CG-CD1 4.29Å; I197-E201 HydrophobicContact CG2-CB 3.45Å; I197-E201 VanDerWaalsContact CG2-CB 3.45Å; I197-R202 HydrophobicContact CG2-CB 4.44Å
198	T	55.7	Low	52.8	Low	76 Å²	76	88.3 Å²	88.3	47%	0.466	48%	0.476	S	S	.	.			trans	-69.6	154.5	172.1	62.3	0	0	0	0	111	K200 E201 R202	T198-K200 PolarHBondContact O-N 3.34Å; T198-K200 VanDerWaalsContact O-N 3.08Å; T198-E201 WeakPolarHBondContact CB-OE2 3.08Å; T198-E201 PolarHBondContact N-OE2 2.98Å; T198-E201 WeakPolarHBondContact O-CA 3.48Å; T198-E201 WeakPolarHBondContact O-CB 3.44Å; T198-E201 PolarHBondContact O-N 3.43Å; T198-E201 VanDerWaalsContact OG1-CG 3.27Å; T198-E201 WeakPolarHBondContact OG1-CG 3.08Å; T198-E201 PolarHBondContact OG1-OE2 2.86Å; T198-R202 PolarHBondContact O-N 3.12Å
199	E	57.8	Low	52.6	Low	119 Å²	119	86 Å²	86	56%	0.556	46%	0.464	S	S	*	.	H	α-helix	trans	-54.7	-32.7	178.4	-179.8	58.2	-161.8	0	0	113	E201 R202 K203	E199-E201 VanDerWaalsContact C-N 3.34Å; E199-R202 PolarHBondContact O-N 3.08Å; E199-K203 WeakPolarHBondContact O-CG 3.4Å; E199-K203 PolarHBondContact O-N 3.27Å; E199-K203 VanDerWaalsContact O-N 3.1Å; E199-K203 WeakPolarHBondContact OE1-CE 3.34Å
200	K	57.8	Low	52.6	Low	147 Å²	147	87.1 Å²	87.1	64%	0.639	46%	0.461	S	S	*	.	H	α-helix	trans	-66.4	-37.6	175.4	-165.6	-173.2	177.2	-179.1	0	112	L188 T198 S204	L188-K200 HydrophobicContact CD1-CD 4.04Å; L188-K200 HydrophobicContact CD1-CG 3.68Å; T198-K200 PolarHBondContact O-N 3.34Å; T198-K200 VanDerWaalsContact O-N 3.08Å; K200-S204 PolarHBondContact O-N 3.05Å
201	E	55.6	Low	52.5	Low	42 Å²	42	87.1 Å²	87.1	20%	0.196	46%	0.462	C	S	.	.	H	α-helix	trans	-72.6	-39.8	176.3	-69	161.3	150	0	0	110.8	I190 I197 T198 E199 K203 S204	I190-E201 HydrophobicContact CD1-CB 4.1Å; I190-E201 HydrophobicContact CD1-CG 4.28Å; I190-E201 HydrophobicContact CG1-CG 4.33Å; I197-E201 HydrophobicContact CG2-CB 3.45Å; I197-E201 VanDerWaalsContact CG2-CB 3.45Å; T198-E201 WeakPolarHBondContact CB-OE2 3.08Å; T198-E201 PolarHBondContact N-OE2 2.98Å; T198-E201 WeakPolarHBondContact O-CA 3.48Å; T198-E201 WeakPolarHBondContact O-CB 3.44Å; T198-E201 PolarHBondContact O-N 3.43Å; T198-E201 VanDerWaalsContact OG1-CG 3.27Å; T198-E201 WeakPolarHBondContact OG1-CG 3.08Å; T198-E201 PolarHBondContact OG1-OE2 2.86Å; E199-E201 VanDerWaalsContact C-N 3.34Å; E201-K203 VanDerWaalsContact C-N 3.31Å; E201-K203 PolarHBondContact O-N 2.8Å; E201-S204 WeakPolarHBondContact O-CA 3.5Å; E201-S204 VanDerWaalsContact O-CB 3.25Å; E201-S204 WeakPolarHBondContact O-CB 3.29Å; E201-S204 PolarHBondContact O-N 3.03Å
202	R	55.7	Low	52.6	Low	116 Å²	116	83 Å²	83	44%	0.438	43%	0.432	S	S	.	.	H	α-helix	trans	-56.5	-44.6	173.3	-171.5	-176.7	174.1	118.3	1.4	111.6	L133 G134 I197 T198 E199 S204 C205	L133-R202 PolarHBondContact O-NH2 3.06Å; G134-R202 VanDerWaalsContact CA-CZ 3.48Å; G134-R202 PolarHBondContact O-NH1 3.16Å; I197-R202 HydrophobicContact CG2-CB 4.44Å; T198-R202 PolarHBondContact O-N 3.12Å; E199-R202 PolarHBondContact O-N 3.08Å; R202-S204 PolarHBondContact O-N 2.79Å; R202-C205 PolarHBondContact O-N 2.92Å; R202-C205 VanDerWaalsContact O-N 3.15Å
203	K	57.3	Low	52.8	Low	144 Å²	144	79.7 Å²	79.7	63%	0.626	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-66.1	-17.8	175.1	-71.7	-178.3	-178.5	-178	0	113.9	E199 E201 C205	E199-K203 WeakPolarHBondContact O-CG 3.4Å; E199-K203 PolarHBondContact O-N 3.27Å; E199-K203 VanDerWaalsContact O-N 3.1Å; E199-K203 WeakPolarHBondContact OE1-CE 3.34Å; E201-K203 VanDerWaalsContact C-N 3.31Å; E201-K203 PolarHBondContact O-N 2.8Å; K203-C205 VanDerWaalsContact C-N 3.32Å
204	S	58.1	Low	52.9	Low	4 Å²	4	75.3 Å²	75.3	3%	0.028	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-79.4	-17.6	175.4	-162.1	0	0	0	0	112.6	N178 H185 K200 E201 R202	N178-S204 WeakPolarHBondContact CB-O 3.1Å; N178-S204 PolarHBondContact ND2-O 3.15Å; H185-S204 PolarHBondContact NE2-O 3.26Å; K200-S204 PolarHBondContact O-N 3.05Å; E201-S204 WeakPolarHBondContact O-CA 3.5Å; E201-S204 VanDerWaalsContact O-CB 3.25Å; E201-S204 WeakPolarHBondContact O-CB 3.29Å; E201-S204 PolarHBondContact O-N 3.03Å; R202-S204 PolarHBondContact O-N 2.79Å
205	C	55.5	Low	53	Low	31 Å²	31	74.1 Å²	74.1	21%	0.209	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-92.5	1.6	-179.3	-65.7	0	0	0	0	114.2	W175 G176 L183 R202 K203	W175-C205 CarbonylContact C-O 3.6Å; W175-C205 WeakPolarHBondContact CA-O 3.4Å; W175-C205 WeakPolarHBondContact CB-O 3.33Å; G176-C205 PolarHBondContact N-O 3Å; L183-C205 WeakPolarHBondContact CD1-O 3.27Å; R202-C205 PolarHBondContact O-N 2.92Å; R202-C205 VanDerWaalsContact O-N 3.15Å; K203-C205 VanDerWaalsContact C-N 3.32Å
206	V	54	Low	52.8	Low	65 Å²	65	74.9 Å²	74.9	39%	0.394	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	135.5	179.5	-177.3	0	0	0	0	109.2	T174 W175 H185	T174-V206 CarbonylContact O-C 3.57Å; T174-V206 WeakPolarHBondContact O-CA 3.39Å; W175-V206 HydrophobicContact CB-CG2 4.2Å; H185-V206 PolarHBondContact CE1-O 3.38Å
207	S	57.6	Low	52.3	Low	9 Å²	9	77.8 Å²	77.8	6%	0.063	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150.7	172.9	96.7	0	0	0	0	111.3	Y173 T174 L183 H185	Y173-S207 WeakPolarHBondContact CA-O 3.06Å; T174-S207 PolarHBondContact N-O 3.36Å; T174-S207 PolarHBondContact O-N 3.14Å; T174-S207 WeakPolarHBondContact OG1-CB 3.26Å; T174-S207 PolarHBondContact OG1-OG 2.85Å; L183-S207 WeakPolarHBondContact O-CB 2.98Å; L183-S207 PolarHBondContact O-OG 3.1Å; H185-S207 WeakPolarHBondContact CE1-CB 3.42Å; H185-S207 WeakPolarHBondContact ND1-CB 3.3Å
208	V	55.5	Low	51.6	Low	82 Å²	82	78.4 Å²	78.4	50%	0.497	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125.1	167.3	-170.6	0	0	0	0	106.6	Y173	Y173-V208 HydrophobicContact CD1-CB 4.23Å; Y173-V208 HydrophobicContact CD1-CG1 4Å; Y173-V208 HydrophobicContact CD1-CG2 3.53Å; Y173-V208 HydrophobicContact CE1-CB 4.06Å; Y173-V208 HydrophobicContact CE1-CG1 3.51Å; Y173-V208 HydrophobicContact CE1-CG2 3.42Å; Y173-V208 VanDerWaalsContact CE1-CG2 3.42Å; Y173-V208 HydrophobicContact CE2-CG1 4.25Å
209	L	53	Low	51	Low	20 Å²	20	81.9 Å²	81.9	11%	0.105	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.5	-177.5	-63.9	168.5	0	0	0	109.1	V172 L211 I240 Y242	V172-L209 PolarHBondContact N-O 2.99Å; V172-L209 PolarHBondContact O-N 3.04Å; L209-L211 PolarHBondContact O-N 3.36Å; L209-I240 HydrophobicContact CD1-CG2 3.47Å; L209-I240 VanDerWaalsContact CD1-CG2 3.47Å; L209-Y242 HydrophobicContact CD2-CD2 3.78Å; L209-Y242 HydrophobicContact CD2-CE2 4.09Å
210	D	51	Low	50.2	Low	129 Å²	129	84.2 Å²	84.2	69%	0.69	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.7	130.5	166.2	-59.4	-12.5	0	0	0	108.3	P212	D210-P212 WeakPolarHBondContact O-CD 3.45Å
211	L	49	Very low	49.4	Very low	45 Å²	45	84.4 Å²	84.4	24%	0.236	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-56.7	127	179.9	-93.9	179.7	0	0	0	110.6	L166 G170 V172 L209 Y238	L166-L211 HydrophobicContact CD1-CD1 3.54Å; L166-L211 HydrophobicContact CD1-CG 4.08Å; G170-L211 WeakPolarHBondContact O-CB 3.2Å; G170-L211 WeakPolarHBondContact O-CD1 3.46Å; G170-L211 WeakPolarHBondContact O-CG 3.25Å; G170-L211 PolarHBondContact O-N 2.79Å; V172-L211 HydrophobicContact CG2-CD2 3.45Å; V172-L211 VanDerWaalsContact CG2-CD2 3.45Å; V172-L211 HydrophobicContact CG2-CG 3.79Å; L209-L211 PolarHBondContact O-N 3.36Å; L211-Y238 HydrophobicContact CD1-CD1 3.82Å; L211-Y238 HydrophobicContact CD1-CD2 4.37Å; L211-Y238 HydrophobicContact CD1-CE1 3.58Å; L211-Y238 HydrophobicContact CD1-CE2 4.17Å; L211-Y238 HydrophobicContact CD1-CG 4.18Å; L211-Y238 VanDerWaalsContact CD2-CB 3.46Å; L211-Y238 HydrophobicContact CD2-CD1 3.42Å; L211-Y238 VanDerWaalsContact CD2-CD1 3.42Å; L211-Y238 HydrophobicContact CD2-CD2 4.15Å; L211-Y238 HydrophobicContact CD2-CE1 4.09Å; L211-Y238 HydrophobicContact CD2-CG 3.41Å; L211-Y238 VanDerWaalsContact CD2-CG 3.41Å; L211-Y238 HydrophobicContact CG-CD1 4.16Å; L211-Y238 HydrophobicContact CG-CE1 4.37Å; L211-Y238 HydrophobicContact CG-CG 4.44Å
212	P	45.6	Very low	49	Very low	10 Å²	10	90 Å²	90	7%	0.065	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-72.8	150.4	164.5	32	-34.2	0	0	0	110.9	D210 K239 R241	D210-P212 WeakPolarHBondContact O-CD 3.45Å; P212-K239 WeakPolarHBondContact CG-O 3.41Å; P212-R241 VanDerWaalsContact CB-CD 3.44Å; P212-R241 HydrophobicContact CB-CG 3.7Å; P212-R241 HydrophobicContact CG-CB 4.3Å; P212-R241 HydrophobicContact CG-CG 3.79Å
213	A	45.1	Very low	48.6	Very low	73 Å²	73	85.3 Å²	85.3	60%	0.603	47%	0.47	S	S	*	.			trans	-41.8	133.5	177.3	0	0	0	0	0	111.2	V215	A213-V215 PolarHBondContact O-N 3.28Å
214	P	44.7	Very low	48.3	Very low	64 Å²	64	83.4 Å²	83.4	42%	0.416	48%	0.475	S	S	.	.			trans	-49.7	135.5	177.9	-19.7	26.4	0	0	0	109.9	D216 Y238	P214-D216 PolarHBondContact O-N 3.12Å; P214-Y238 HydrophobicContact CB-CE1 4.33Å; P214-Y238 HydrophobicContact CG-CE1 3.96Å
215	V	50.6	Low	48.1	Very low	61 Å²	61	88.9 Å²	88.9	37%	0.37	50%	0.5	S	S	.	.			trans	-75.3	126.9	167.4	-177.7	0	0	0	0	106.4	A213 F217 F234	A213-V215 PolarHBondContact O-N 3.28Å; V215-F217 HydrophobicContact CB-CD2 4.36Å; V215-F217 HydrophobicContact CB-CE2 4.48Å; V215-F217 HydrophobicContact CG1-CD2 4.2Å; V215-F217 HydrophobicContact CG1-CE2 4.04Å; V215-F217 PolarHBondContact O-N 2.83Å; V215-F234 HydrophobicContact CG2-CE1 4.22Å
216	D	45.7	Very low	48.1	Very low	163 Å²	163	87.9 Å²	87.9	87%	0.872	49%	0.493	S	S	*	.			trans	-51.7	103.7	-179.7	-83.4	-26.8	0	0	0	110.3	P214	P214-D216 PolarHBondContact O-N 3.12Å
217	F	39.6	Very low	48	Very low	147 Å²	147	87.4 Å²	87.4	65%	0.645	49%	0.491	S	S	*	.			trans	-128.3	151	168.7	-89.6	-84.3	0	0	0	107.6	V215	V215-F217 HydrophobicContact CB-CD2 4.36Å; V215-F217 HydrophobicContact CB-CE2 4.48Å; V215-F217 HydrophobicContact CG1-CD2 4.2Å; V215-F217 HydrophobicContact CG1-CE2 4.04Å; V215-F217 PolarHBondContact O-N 2.83Å
218	P	38.7	Very low	47.7	Very low	100 Å²	100	91.8 Å²	91.8	65%	0.649	51%	0.506	S	S	*	.			trans	-58.4	141.1	-175.3	23.2	-31.3	0	0	0	111.2
219	D	43	Very low	47.5	Very low	149 Å²	149	93 Å²	93	80%	0.797	51%	0.505	S	S	*	.	S	Bend	trans	-54	144.9	-173.5	-67.5	-45.3	0	0	0	112.7
220	N	40.7	Very low	47.1	Very low	167 Å²	167	97.4 Å²	97.4	89%	0.893	54%	0.535	S	S	*	.			trans	74.7	53.6	175.5	-75.8	-17.5	0	0	0	118.9
221	L	40.9	Very low	46.8	Very low	152 Å²	152	95.3 Å²	95.3	80%	0.796	52%	0.524	S	S	*	.			trans	-108.3	128.4	156.2	-98.6	104.9	0	0	0	113
222	L	47.6	Very low	46.9	Very low	159 Å²	159	96.6 Å²	96.6	83%	0.832	53%	0.528	S	S	*	.			trans	-67.9	132.1	172	-69.8	161.3	0	0	0	109.9	S224	L222-S224 VanDerWaalsContact C-N 3.32Å; L222-S224 PolarHBondContact O-N 3.1Å
223	I	47.7	Very low	47.4	Very low	17 Å²	17	96.1 Å²	96.1	9%	0.087	53%	0.525	C	S	.	.			trans	-78.2	81.7	178.3	-56.5	-174.5	0	0	0	107.8	Q155 L166 V235 Y238	Q155-I223 VanDerWaalsContact OE1-CG2 3.26Å; L166-I223 HydrophobicContact CD2-CD1 4.37Å; I223-V235 HydrophobicContact CG2-CG1 3.59Å; I223-Y238 HydrophobicContact CD1-CD2 3.55Å; I223-Y238 HydrophobicContact CD1-CE2 3.4Å; I223-Y238 VanDerWaalsContact CD1-CE2 3.4Å
224	S	50.9	Low	47.7	Very low	104 Å²	104	93.5 Å²	93.5	73%	0.727	50%	0.501	S	S	*	.			trans	-101.7	-10.1	-178.5	53.5	0	0	0	0	113.5	L222	L222-S224 VanDerWaalsContact C-N 3.32Å; L222-S224 PolarHBondContact O-N 3.1Å
225	Q	54	Low	48.2	Very low	119 Å²	119	91 Å²	91	56%	0.556	48%	0.484	S	S	*	.			trans	-144	139.3	-168	-156.9	168.7	23.6	0	0	113.2	G236	Q225-G236 PolarHBondContact O-N 3.08Å
226	V	55.1	Low	48.6	Very low	11 Å²	11	89.6 Å²	89.6	7%	0.067	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	118.6	162.6	-170.8	0	0	0	0	108.1	A157 V164 Y228 C233 F234 V235	A157-V226 HydrophobicContact CB-CG2 3.46Å; A157-V226 VanDerWaalsContact CB-CG2 3.46Å; V164-V226 HydrophobicContact CG1-CG2 3.72Å; V226-Y228 HydrophobicContact CG1-CE1 4.09Å; V226-Y228 HydrophobicContact CG1-CE2 4.13Å; V226-Y228 VanDerWaalsContact CG1-OH 3.26Å; V226-Y228 WeakPolarHBondContact CG1-OH 3.23Å; V226-C233 WeakPolarHBondContact CG1-SG 3.43Å; V226-F234 CarbonylContact C-O 3.59Å; V226-F234 VanDerWaalsContact CA-O 3.29Å; V226-F234 WeakPolarHBondContact CA-O 3.43Å; V226-V235 HydrophobicContact CG2-CG2 4.32Å
227	T	53.2	Low	49.1	Very low	55 Å²	55	87.3 Å²	87.3	34%	0.337	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.8	-177.4	-57.4	0	0	0	0	110.1	F229 F234	T227-F229 HydrophobicContact CG2-CD2 4.32Å; T227-F229 HydrophobicContact CG2-CE2 3.75Å; T227-F229 HydrophobicContact CG2-CZ 4.08Å; T227-F234 PolarHBondContact N-O 3.45Å; T227-F234 PolarHBondContact O-N 2.96Å
228	Y	49.5	Very low	49.8	Very low	100 Å²	100	82 Å²	82	39%	0.392	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	124.8	175.4	-52.1	-84.3	0	0	0	110.7	G159 H162 V226 C233	G159-Y228 WeakPolarHBondContact CA-OH 3.24Å; H162-Y228 AromaticContact CE1-CE1 3.57Å; H162-Y228 AromaticContact CE1-CZ 3.4Å; H162-Y228 VanDerWaalsContact CE1-CZ 3.4Å; H162-Y228 PolarHBondContact CE1-OH 3.1Å; H162-Y228 AromaticContact NE2-CE1 3.67Å; H162-Y228 AromaticContact NE2-CZ 3.6Å; H162-Y228 PolarHBondContact NE2-OH 3.12Å; V226-Y228 HydrophobicContact CG1-CE1 4.09Å; V226-Y228 HydrophobicContact CG1-CE2 4.13Å; V226-Y228 VanDerWaalsContact CG1-OH 3.26Å; V226-Y228 WeakPolarHBondContact CG1-OH 3.23Å; Y228-C233 HydrophobicContact CD1-CB 4.27Å; Y228-C233 HydrophobicContact CE1-CB 4.42Å; Y228-C233 VanDerWaalsContact CE1-SG 3.54Å
229	F	51.3	Low	50.7	Low	109 Å²	109	80.4 Å²	80.4	48%	0.478	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	163.2	160.3	-64.4	-86.8	0	0	0	109.1	T227 N231 E232 F234	T227-F229 HydrophobicContact CG2-CD2 4.32Å; T227-F229 HydrophobicContact CG2-CE2 3.75Å; T227-F229 HydrophobicContact CG2-CZ 4.08Å; F229-N231 PolarHBondContact O-N 3.4Å; F229-E232 HydrophobicContact CB-CB 4.13Å; F229-E232 PolarHBondContact N-O 3.13Å; F229-E232 PolarHBondContact O-N 3.4Å; F229-E232 VanDerWaalsContact O-N 3.13Å; F229-F234 AromaticContact CD2-CD2 3.5Å; F229-F234 HydrophobicContact CD2-CD2 3.5Å; F229-F234 VanDerWaalsContact CD2-CD2 3.5Å; F229-F234 AromaticContact CD2-CE2 3.5Å; F229-F234 HydrophobicContact CD2-CE2 3.5Å; F229-F234 AromaticContact CE2-CD2 3.64Å; F229-F234 HydrophobicContact CE2-CD2 3.64Å; F229-F234 AromaticContact CE2-CE2 3.77Å; F229-F234 HydrophobicContact CE2-CE2 3.77Å
230	P	44.4	Very low	51.3	Low	112 Å²	112	73.8 Å²	73.8	73%	0.727	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-23.1	-174.8	-30.7	36.1	0	0	0	116.1
231	N	44.9	Very low	51.6	Low	85 Å²	85	72.7 Å²	72.7	46%	0.455	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.9	11.7	176.4	-63.5	-58.8	0	0	0	113.9	F229	F229-N231 PolarHBondContact O-N 3.4Å
232	E	52.1	Low	51.8	Low	71 Å²	71	73.3 Å²	73.3	33%	0.332	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	130.5	-171.9	-48.6	-172.3	140.7	0	0	109.5	F229 F234 K239	F229-E232 HydrophobicContact CB-CB 4.13Å; F229-E232 PolarHBondContact N-O 3.13Å; F229-E232 PolarHBondContact O-N 3.4Å; F229-E232 VanDerWaalsContact O-N 3.13Å; E232-F234 HydrophobicContact CB-CD2 4.05Å; E232-F234 HydrophobicContact CB-CE2 3.36Å; E232-F234 HydrophobicContact CB-CZ 4.08Å; E232-F234 HydrophobicContact CG-CE2 4.28Å; E232-F234 VanDerWaalsContact OE2-CE2 3.24Å; E232-F234 WeakPolarHBondContact OE2-CE2 3.03Å; E232-F234 VanDerWaalsContact OE2-CZ 3.27Å; E232-F234 WeakPolarHBondContact OE2-CZ 3.27Å; E232-K239 VanDerWaalsContact CD-NZ 3.35Å; E232-K239 IonicContact OE1-NZ 2.62Å; E232-K239 PolarHBondContact OE1-NZ 3.19Å
233	C	55.1	Low	51.7	Low	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130.3	170.5	-175.8	0	0	0	0	107.4	V226 Y228 K239 I240 Y243	V226-C233 WeakPolarHBondContact CG1-SG 3.43Å; Y228-C233 HydrophobicContact CD1-CB 4.27Å; Y228-C233 HydrophobicContact CE1-CB 4.42Å; Y228-C233 VanDerWaalsContact CE1-SG 3.54Å; C233-K239 CarbonylContact O-C 3.54Å; C233-I240 HydrophobicContact CB-CB 4.31Å; C233-I240 HydrophobicContact CB-CD1 4.35Å; C233-I240 HydrophobicContact CB-CG1 4.48Å; C233-I240 PolarHBondContact O-N 3.36Å; C233-Y243 HydrophobicContact CB-CD2 4.08Å; C233-Y243 HydrophobicContact CB-CE2 4.36Å
234	F	52.9	Low	51.2	Low	19 Å²	19	71.6 Å²	71.6	8%	0.083	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.3	177.6	-67.3	-99.3	0	0	0	110.2	V215 V226 T227 F229 E232 Y238 K239	V215-F234 HydrophobicContact CG2-CE1 4.22Å; V226-F234 CarbonylContact C-O 3.59Å; V226-F234 VanDerWaalsContact CA-O 3.29Å; V226-F234 WeakPolarHBondContact CA-O 3.43Å; T227-F234 PolarHBondContact N-O 3.45Å; T227-F234 PolarHBondContact O-N 2.96Å; F229-F234 AromaticContact CD2-CD2 3.5Å; F229-F234 HydrophobicContact CD2-CD2 3.5Å; F229-F234 VanDerWaalsContact CD2-CD2 3.5Å; F229-F234 AromaticContact CD2-CE2 3.5Å; F229-F234 HydrophobicContact CD2-CE2 3.5Å; F229-F234 AromaticContact CE2-CD2 3.64Å; F229-F234 HydrophobicContact CE2-CD2 3.64Å; F229-F234 AromaticContact CE2-CE2 3.77Å; F229-F234 HydrophobicContact CE2-CE2 3.77Å; E232-F234 HydrophobicContact CB-CD2 4.05Å; E232-F234 HydrophobicContact CB-CE2 3.36Å; E232-F234 HydrophobicContact CB-CZ 4.08Å; E232-F234 HydrophobicContact CG-CE2 4.28Å; E232-F234 VanDerWaalsContact OE2-CE2 3.24Å; E232-F234 WeakPolarHBondContact OE2-CE2 3.03Å; E232-F234 VanDerWaalsContact OE2-CZ 3.27Å; E232-F234 WeakPolarHBondContact OE2-CZ 3.27Å; F234-Y238 CarbonylContact C-O 3.57Å; F234-Y238 VanDerWaalsContact CA-O 3.3Å; F234-Y238 WeakPolarHBondContact CA-O 3.38Å; F234-K239 HydrophobicContact CD1-CB 3.85Å; F234-K239 HydrophobicContact CD1-CG 4.46Å; F234-K239 HydrophobicContact CE1-CB 3.57Å; F234-K239 HydrophobicContact CE1-CD 4.32Å; F234-K239 HydrophobicContact CE1-CG 4.04Å; F234-K239 HydrophobicContact CZ-CB 4.18Å; F234-K239 HydrophobicContact CZ-CD 4.14Å; F234-K239 HydrophobicContact CZ-CG 4.15Å
235	V	54.2	Low	50.1	Low	10 Å²	10	77.9 Å²	77.9	6%	0.061	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	99	165.2	-176.4	0	0	0	0	105.6	A157 V164 I223 V226 R237 Y238 I240	A157-V235 HydrophobicContact CB-CG1 4.2Å; V164-V235 HydrophobicContact CB-CG2 4.46Å; V164-V235 HydrophobicContact CG1-CG1 4.2Å; V164-V235 HydrophobicContact CG1-CG2 3.79Å; V164-V235 HydrophobicContact CG2-CG2 4.02Å; I223-V235 HydrophobicContact CG2-CG1 3.59Å; V226-V235 HydrophobicContact CG2-CG2 4.32Å; V235-R237 PolarHBondContact O-N 3.32Å; V235-R237 VanDerWaalsContact O-N 3.16Å; V235-Y238 PolarHBondContact N-O 2.86Å; V235-Y238 PolarHBondContact O-N 2.9Å; V235-I240 HydrophobicContact CG2-CD1 3.73Å; V235-I240 HydrophobicContact CG2-CG1 3.92Å
236	G	58.1	Low	48.9	Very low	32 Å²	32	81.3 Å²	81.3	33%	0.33	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	-118.3	-168.2	0	0	0	0	0	112	Q225 Y238	Q225-G236 PolarHBondContact O-N 3.08Å; G236-Y238 VanDerWaalsContact C-N 3.33Å
237	R	57.2	Low	47.7	Very low	116 Å²	116	88.8 Å²	88.8	44%	0.438	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-6.5	179.8	72.9	179.8	-175.8	176.4	-1.7	115	V235	V235-R237 PolarHBondContact O-N 3.32Å; V235-R237 VanDerWaalsContact O-N 3.16Å
238	Y	54.4	Low	46.5	Very low	34 Å²	34	98 Å²	98	13%	0.133	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	115.3	-170.1	-61.6	-73.1	0	0	0	110.3	L166 L211 P214 I223 F234 V235 G236 I240	L166-Y238 HydrophobicContact CD2-CE2 4.24Å; L211-Y238 HydrophobicContact CD1-CD1 3.82Å; L211-Y238 HydrophobicContact CD1-CD2 4.37Å; L211-Y238 HydrophobicContact CD1-CE1 3.58Å; L211-Y238 HydrophobicContact CD1-CE2 4.17Å; L211-Y238 HydrophobicContact CD1-CG 4.18Å; L211-Y238 VanDerWaalsContact CD2-CB 3.46Å; L211-Y238 HydrophobicContact CD2-CD1 3.42Å; L211-Y238 VanDerWaalsContact CD2-CD1 3.42Å; L211-Y238 HydrophobicContact CD2-CD2 4.15Å; L211-Y238 HydrophobicContact CD2-CE1 4.09Å; L211-Y238 HydrophobicContact CD2-CG 3.41Å; L211-Y238 VanDerWaalsContact CD2-CG 3.41Å; L211-Y238 HydrophobicContact CG-CD1 4.16Å; L211-Y238 HydrophobicContact CG-CE1 4.37Å; L211-Y238 HydrophobicContact CG-CG 4.44Å; P214-Y238 HydrophobicContact CB-CE1 4.33Å; P214-Y238 HydrophobicContact CG-CE1 3.96Å; I223-Y238 HydrophobicContact CD1-CD2 3.55Å; I223-Y238 HydrophobicContact CD1-CE2 3.4Å; I223-Y238 VanDerWaalsContact CD1-CE2 3.4Å; F234-Y238 CarbonylContact C-O 3.57Å; F234-Y238 VanDerWaalsContact CA-O 3.3Å; F234-Y238 WeakPolarHBondContact CA-O 3.38Å; V235-Y238 PolarHBondContact N-O 2.86Å; V235-Y238 PolarHBondContact O-N 2.9Å; G236-Y238 VanDerWaalsContact C-N 3.33Å; Y238-I240 PolarHBondContact O-N 3.2Å
239	K	57.3	Low	45.9	Very low	68 Å²	68	103.1 Å²	103.1	30%	0.296	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	122.5	171.2	-173.4	171.1	177.2	173.7	0	108.4	P212 E232 C233 F234 R241	P212-K239 WeakPolarHBondContact CG-O 3.41Å; E232-K239 VanDerWaalsContact CD-NZ 3.35Å; E232-K239 IonicContact OE1-NZ 2.62Å; E232-K239 PolarHBondContact OE1-NZ 3.19Å; C233-K239 CarbonylContact O-C 3.54Å; F234-K239 HydrophobicContact CD1-CB 3.85Å; F234-K239 HydrophobicContact CD1-CG 4.46Å; F234-K239 HydrophobicContact CE1-CB 3.57Å; F234-K239 HydrophobicContact CE1-CD 4.32Å; F234-K239 HydrophobicContact CE1-CG 4.04Å; F234-K239 HydrophobicContact CZ-CB 4.18Å; F234-K239 HydrophobicContact CZ-CD 4.14Å; F234-K239 HydrophobicContact CZ-CG 4.15Å; K239-R241 PolarHBondContact O-N 2.93Å
240	I	55.1	Low	45.7	Very low	9 Å²	9	102.9 Å²	102.9	5%	0.046	46%	0.463	C	S	.	.			trans	-64.2	107.6	166.4	-58.7	-172.2	0	0	0	106.2	T174 L209 C233 V235 Y238 Y242	T174-I240 HydrophobicContact CG2-CD1 4.33Å; L209-I240 HydrophobicContact CD1-CG2 3.47Å; L209-I240 VanDerWaalsContact CD1-CG2 3.47Å; C233-I240 HydrophobicContact CB-CB 4.31Å; C233-I240 HydrophobicContact CB-CD1 4.35Å; C233-I240 HydrophobicContact CB-CG1 4.48Å; C233-I240 PolarHBondContact O-N 3.36Å; V235-I240 HydrophobicContact CG2-CD1 3.73Å; V235-I240 HydrophobicContact CG2-CG1 3.92Å; Y238-I240 PolarHBondContact O-N 3.2Å; I240-Y242 PolarHBondContact O-N 3.41Å
241	R	47.1	Very low	45.7	Very low	144 Å²	144	102.4 Å²	102.4	54%	0.543	45%	0.449	S	S	.	.	S	Bend	trans	-63.9	134.7	173.4	-93.8	-176.7	-166.9	158.2	12.2	106.5	P212 K239	P212-R241 VanDerWaalsContact CB-CD 3.44Å; P212-R241 HydrophobicContact CB-CG 3.7Å; P212-R241 HydrophobicContact CG-CB 4.3Å; P212-R241 HydrophobicContact CG-CG 3.79Å; K239-R241 PolarHBondContact O-N 2.93Å
242	Y	45.9	Very low	45.8	Very low	166 Å²	166	103.3 Å²	103.3	65%	0.651	45%	0.449	S	S	*	.			trans	91.3	95.5	-173.6	-52.9	-71.4	0	0	0	115.9	G184 L209 I240	G184-Y242 WeakPolarHBondContact CA-O 3.41Å; G184-Y242 WeakPolarHBondContact O-CB 3.28Å; G184-Y242 VanDerWaalsContact O-CD2 3.3Å; G184-Y242 WeakPolarHBondContact O-CD2 3.2Å; L209-Y242 HydrophobicContact CD2-CD2 3.78Å; L209-Y242 HydrophobicContact CD2-CE2 4.09Å; I240-Y242 PolarHBondContact O-N 3.41Å
243	Y	46.3	Very low	45.4	Very low	53 Å²	53	105.2 Å²	105.2	21%	0.208	46%	0.456	C	S	.	.			trans	-153.2	151.5	154.6	-125.7	-48.8	0	0	0	111.4	H180 Q182 C233	H180-Y243 WeakPolarHBondContact O-CE1 3.36Å; Q182-Y243 VanDerWaalsContact CA-CE2 3.44Å; Q182-Y243 VanDerWaalsContact CA-CZ 3.5Å; Q182-Y243 WeakPolarHBondContact CA-OH 3.21Å; Q182-Y243 HydrophobicContact CB-CE2 4.11Å; Q182-Y243 WeakPolarHBondContact CB-OH 3.47Å; Q182-Y243 PolarHBondContact N-OH 2.82Å; C233-Y243 HydrophobicContact CB-CD2 4.08Å; C233-Y243 HydrophobicContact CB-CE2 4.36Å
244	F	35.9	Very low	44.8	Very low	87 Å²	87	111.8 Å²	111.8	38%	0.382	48%	0.484	S	S	.	.			trans	43.5	99.2	158.3	-58.2	-66.7	0	0	0	118.9
245	R	29	Very low	44.3	Very low	235 Å²	235	118 Å²	118	89%	0.887	51%	0.511	S	S	*	.			trans	-97.9	107	139.4	-100.2	-173.9	178	179.6	0.3	106.6	F247	R245-F247 PolarHBondContact O-N 3.07Å; R245-F247 VanDerWaalsContact O-N 3.13Å
246	Y	28.9	Very low	43.5	Very low	191 Å²	191	125.7 Å²	125.7	75%	0.749	54%	0.543	S	S	*	.			trans	-52	119.8	162.8	-97.8	-91.2	0	0	0	107.9	R248	Y246-R248 PolarHBondContact O-N 2.69Å
247	F	29	Very low	42.4	Very low	169 Å²	169	132.9 Å²	132.9	74%	0.741	56%	0.559	S	S	*	*			trans	-68.7	109.4	157.9	-72	-84.9	0	0	0	105.6	R245 V249	R245-F247 PolarHBondContact O-N 3.07Å; R245-F247 VanDerWaalsContact O-N 3.13Å; F247-V249 PolarHBondContact O-N 2.7Å
248	R	27.2	Very low	41.2	Very low	247 Å²	247	134.3 Å²	134.3	93%	0.932	57%	0.57	S	S	*	*			trans	-61.8	115.8	154.4	-85.3	-175.8	173.5	175.3	-2	105.5	Y246	Y246-R248 PolarHBondContact O-N 2.69Å
249	V	38.5	Very low	40	Very low	209 Å²	209	143.5 Å²	143.5	100%	1.267	61%	0.609	S	S	*	*			trans	-60.5	0	161	-175	0	0	0	0	108.2	F247	F247-V249 PolarHBondContact O-N 2.7Å

Retrieved 249 of 249 residues in 52.1 ms (Link to these results)

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