A0AA82N7Y8_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N7Y8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 193 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	43.1	Very low	41.6	Very low	35 Å²	35	62 Å²	62	17%	0.172	30%	0.298	C	S	.	.				0	136.2	0	173.9	175.4	-92.5	0	0	108.1	Y3 T18 F24 I27 A146	M1-Y3 HydrophobicContact CB-CE2 4.27Å; M1-Y3 HydrophobicContact CG-CD2 4.41Å; M1-Y3 HydrophobicContact CG-CE1 4.37Å; M1-Y3 HydrophobicContact CG-CE2 3.96Å; M1-Y3 HydrophobicContact SD-CD1 4.47Å; M1-Y3 HydrophobicContact SD-CE1 3.62Å; M1-Y3 HydrophobicContact SD-CE2 4Å; M1-Y3 PolarHBondContact SD-OH 3.16Å; M1-T18 PolarHBondContact N-O 3Å; M1-T18 PolarHBondContact N-OG1 3.37Å; M1-T18 VanDerWaalsContact N-OG1 3.07Å; M1-T18 WeakPolarHBondContact O-CB 3.45Å; M1-T18 PolarHBondContact O-N 2.91Å; M1-T18 PolarHBondContact O-OG1 3.12Å; M1-F24 HydrophobicContact CB-CE1 4.29Å; M1-I27 HydrophobicContact CB-CD1 4.32Å; M1-I27 HydrophobicContact CE-CD1 3.18Å; M1-I27 HydrophobicContact SD-CD1 3.52Å; M1-I27 VanDerWaalsContact SD-CD1 3.52Å; M1-A146 HydrophobicContact CE-CB 3.71Å; M1-A146 HydrophobicContact SD-CB 3.74Å
2	A	50.4	Low	40.5	Very low	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	140.3	167.4	0	0	0	0	0	111.1	T15 V16 V17 I147 F150	A2-T15 HydrophobicContact CB-CG2 3.71Å; A2-V16 CarbonylContact C-O 3.49Å; A2-V16 WeakPolarHBondContact CA-O 3.29Å; A2-V16 WeakPolarHBondContact CB-O 2.95Å; A2-V17 HydrophobicContact CB-CB 4.18Å; A2-V17 HydrophobicContact CB-CG1 4.36Å; A2-V17 HydrophobicContact CB-CG2 3.86Å; A2-I147 PolarHBondContact O-N 3.23Å; A2-F150 HydrophobicContact CB-CD2 3.84Å; A2-F150 HydrophobicContact CB-CE1 4.4Å; A2-F150 HydrophobicContact CB-CE2 2.99Å; A2-F150 HydrophobicContact CB-CZ 3.31Å
3	Y	50.1	Low	39.9	Very low	17 Å²	17	63.2 Å²	63.2	7%	0.067	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131	172.7	-64	-89.6	0	0	0	107.4	M1 T15 V16 F127 I129 Q145	M1-Y3 HydrophobicContact CB-CE2 4.27Å; M1-Y3 HydrophobicContact CG-CD2 4.41Å; M1-Y3 HydrophobicContact CG-CE1 4.37Å; M1-Y3 HydrophobicContact CG-CE2 3.96Å; M1-Y3 HydrophobicContact SD-CD1 4.47Å; M1-Y3 HydrophobicContact SD-CE1 3.62Å; M1-Y3 HydrophobicContact SD-CE2 4Å; M1-Y3 PolarHBondContact SD-OH 3.16Å; Y3-T15 CarbonylContact O-C 3.58Å; Y3-T15 WeakPolarHBondContact O-CA 3.42Å; Y3-V16 PolarHBondContact N-O 3.36Å; Y3-V16 PolarHBondContact O-N 3.06Å; Y3-F127 HydrophobicContact CE2-CD2 4.45Å; Y3-F127 HydrophobicContact CE2-CE2 4.27Å; Y3-F127 AromaticContact CZ-CZ 3.99Å; Y3-F127 WeakPolarHBondContact OH-CZ 3.42Å; Y3-I129 HydrophobicContact CD1-CD1 4.01Å; Y3-I129 HydrophobicContact CD2-CD1 3.43Å; Y3-I129 VanDerWaalsContact CD2-CD1 3.43Å; Y3-I129 HydrophobicContact CE2-CD1 4.02Å; Y3-I129 HydrophobicContact CG-CD1 3.39Å; Y3-Q145 WeakPolarHBondContact CA-O 3.4Å
4	T	43.9	Very low	39.7	Very low	1 Å²	1	62.7 Å²	62.7	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.2	172.7	-69.9	0	0	0	0	110.2	F6 V13 I14 T15 Q145 I147	T4-F6 HydrophobicContact CG2-CD1 4.42Å; T4-F6 HydrophobicContact CG2-CD2 3.88Å; T4-F6 HydrophobicContact CG2-CE1 3.99Å; T4-F6 HydrophobicContact CG2-CE2 3.4Å; T4-F6 VanDerWaalsContact CG2-CE2 3.4Å; T4-F6 HydrophobicContact CG2-CG 4.38Å; T4-F6 HydrophobicContact CG2-CZ 3.46Å; T4-F6 VanDerWaalsContact CG2-CZ 3.46Å; T4-V13 HydrophobicContact CG2-CB 4.48Å; T4-V13 HydrophobicContact CG2-CG1 3.1Å; T4-I14 CarbonylContact C-O 3.55Å; T4-I14 WeakPolarHBondContact CA-O 3.4Å; T4-T15 PolarHBondContact OG1-OG1 3.23Å; T4-Q145 PolarHBondContact N-O 3.48Å; T4-Q145 PolarHBondContact O-N 2.77Å; T4-I147 HydrophobicContact CG2-CD1 4.38Å; T4-I147 WeakPolarHBondContact OG1-CD1 3.34Å
5	L	46.2	Very low	39.1	Very low	4 Å²	4	60.7 Å²	60.7	2%	0.021	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	109.3	178.8	-161.8	56.8	0	0	0	109	V13 I14 W135 V142 E143 F144	L5-V13 WeakPolarHBondContact O-CA 3.17Å; L5-I14 HydrophobicContact CB-CB 4.08Å; L5-I14 WeakPolarHBondContact CB-O 3.28Å; L5-I14 PolarHBondContact N-O 3.3Å; L5-I14 PolarHBondContact O-N 3.36Å; L5-W135 HydrophobicContact CD2-CE3 4.05Å; L5-W135 HydrophobicContact CD2-CH2 4.49Å; L5-W135 HydrophobicContact CD2-CZ3 3.47Å; L5-W135 VanDerWaalsContact CD2-CZ3 3.47Å; L5-W135 HydrophobicContact CG-CZ3 4.29Å; L5-V142 HydrophobicContact CD1-CB 4.41Å; L5-V142 HydrophobicContact CD1-CG1 3.1Å; L5-V142 HydrophobicContact CD2-CG1 3.95Å; L5-V142 HydrophobicContact CG-CG1 3.76Å; L5-E143 CarbonylContact C-O 3.5Å; L5-E143 WeakPolarHBondContact CA-O 3.31Å; L5-E143 WeakPolarHBondContact CD1-O 3.36Å; L5-F144 HydrophobicContact CD1-CD1 3.54Å; L5-F144 HydrophobicContact CD1-CD2 4.26Å; L5-F144 HydrophobicContact CD1-CE1 3.5Å; L5-F144 VanDerWaalsContact CD1-CE1 3.5Å; L5-F144 HydrophobicContact CD1-CE2 4.22Å; L5-F144 HydrophobicContact CD1-CG 3.94Å; L5-F144 HydrophobicContact CD1-CZ 3.86Å
6	F	43.2	Very low	39.2	Very low	74 Å²	74	58.8 Å²	58.8	33%	0.325	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	138	175.3	-65.4	-83.6	0	0	0	110.1	T4 V13 E143 Q145	T4-F6 HydrophobicContact CG2-CD1 4.42Å; T4-F6 HydrophobicContact CG2-CD2 3.88Å; T4-F6 HydrophobicContact CG2-CE1 3.99Å; T4-F6 HydrophobicContact CG2-CE2 3.4Å; T4-F6 VanDerWaalsContact CG2-CE2 3.4Å; T4-F6 HydrophobicContact CG2-CG 4.38Å; T4-F6 HydrophobicContact CG2-CZ 3.46Å; T4-F6 VanDerWaalsContact CG2-CZ 3.46Å; F6-V13 HydrophobicContact CD1-CG1 4.42Å; F6-V13 HydrophobicContact CD1-CG2 4.04Å; F6-V13 HydrophobicContact CE1-CG1 4.06Å; F6-V13 HydrophobicContact CE1-CG2 4.06Å; F6-V13 HydrophobicContact CZ-CG1 4.49Å; F6-E143 HydrophobicContact CB-CB 4.3Å; F6-E143 PolarHBondContact N-O 3.44Å; F6-E143 PolarHBondContact O-N 3.41Å; F6-Q145 HydrophobicContact CD2-CB 4.42Å; F6-Q145 HydrophobicContact CE2-CB 4.2Å
7	I	41.9	Very low	39.2	Very low	13 Å²	13	57.8 Å²	57.8	7%	0.067	30%	0.297	C	S	.	.			trans	-126	109.8	-179.7	-57	175.7	0	0	0	108.8	N9 S10 W135 T140	I7-N9 PolarHBondContact O-N 3.32Å; I7-S10 PolarHBondContact O-N 3.24Å; I7-W135 HydrophobicContact CD1-CD2 3.2Å; I7-W135 HydrophobicContact CD1-CE3 3.39Å; I7-W135 HydrophobicContact CD1-CG 3.86Å; I7-W135 HydrophobicContact CD1-CH2 3.29Å; I7-W135 HydrophobicContact CD1-CZ2 3.17Å; I7-W135 HydrophobicContact CD1-CZ3 3.44Å; I7-W135 VanDerWaalsContact CD1-CZ3 3.44Å; I7-W135 HydrophobicContact CG1-CE3 4.49Å; I7-W135 HydrophobicContact CG1-CH2 4.49Å; I7-W135 HydrophobicContact CG1-CZ3 4.49Å; I7-T140 HydrophobicContact CG2-CG2 4.38Å
8	P	38.6	Very low	39.4	Very low	59 Å²	59	55.9 Å²	55.9	38%	0.383	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	132.7	171.4	-14.5	28	0	0	0	109.4	L141	P8-L141 WeakPolarHBondContact CD-O 3.15Å; P8-L141 HydrophobicContact CG-CB 3.92Å; P8-L141 HydrophobicContact CG-CD2 3.76Å; P8-L141 HydrophobicContact CG-CG 4.15Å
9	N	39.2	Very low	39.4	Very low	170 Å²	170	60.5 Å²	60.5	91%	0.909	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	6.9	-175.1	-52.6	-41.4	0	0	0	117.1	I7	I7-N9 PolarHBondContact O-N 3.32Å
10	S	31.9	Very low	39.6	Very low	51 Å²	51	59 Å²	59	36%	0.357	30%	0.297	S	S	.	.	S	Bend	trans	-134.3	128.1	167.4	-60.8	0	0	0	0	108.8	I7 V12	I7-S10 PolarHBondContact O-N 3.24Å; S10-V12 PolarHBondContact O-N 2.96Å
11	R	29.3	Very low	39.9	Very low	258 Å²	258	64.8 Å²	64.8	97%	0.974	32%	0.321	S	S	*	.			trans	-72.9	38.6	174.7	-65.7	-173.9	-179.9	-177.7	0.3	112.3
12	V	27.9	Very low	39.9	Very low	58 Å²	58	68.8 Å²	68.8	35%	0.352	34%	0.342	S	S	.	.			trans	-111.2	121.5	-179.2	-173.8	0	0	0	0	108.3	S10 I14 W135	S10-V12 PolarHBondContact O-N 2.96Å; V12-I14 HydrophobicContact CG1-CG1 4.18Å; V12-W135 HydrophobicContact CB-CZ2 4.09Å; V12-W135 HydrophobicContact CG1-CH2 3.95Å; V12-W135 HydrophobicContact CG1-CZ2 3.71Å
13	V	32.8	Very low	40	Very low	81 Å²	81	68.9 Å²	68.9	49%	0.491	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	112.8	176.4	179.3	0	0	0	0	105.4	T4 L5 F6	T4-V13 HydrophobicContact CG2-CB 4.48Å; T4-V13 HydrophobicContact CG2-CG1 3.1Å; L5-V13 WeakPolarHBondContact O-CA 3.17Å; F6-V13 HydrophobicContact CD1-CG1 4.42Å; F6-V13 HydrophobicContact CD1-CG2 4.04Å; F6-V13 HydrophobicContact CE1-CG1 4.06Å; F6-V13 HydrophobicContact CE1-CG2 4.06Å; F6-V13 HydrophobicContact CZ-CG1 4.49Å
14	I	36.9	Very low	39.8	Very low	57 Å²	57	72 Å²	72	29%	0.292	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	117.2	173.9	-68.8	-177.6	0	0	0	108.3	T4 L5 V12 V16 P132 W135	T4-I14 CarbonylContact C-O 3.55Å; T4-I14 WeakPolarHBondContact CA-O 3.4Å; L5-I14 HydrophobicContact CB-CB 4.08Å; L5-I14 WeakPolarHBondContact CB-O 3.28Å; L5-I14 PolarHBondContact N-O 3.3Å; L5-I14 PolarHBondContact O-N 3.36Å; V12-I14 HydrophobicContact CG1-CG1 4.18Å; I14-V16 HydrophobicContact CG2-CG2 4.01Å; I14-P132 HydrophobicContact CD1-CG 3.85Å; I14-W135 HydrophobicContact CD1-CH2 3.13Å; I14-W135 HydrophobicContact CD1-CZ2 4.15Å; I14-W135 HydrophobicContact CD1-CZ3 3.54Å; I14-W135 HydrophobicContact CG1-CH2 3.66Å; I14-W135 HydrophobicContact CG1-CZ3 4.28Å
15	T	31	Very low	39.7	Very low	32 Å²	32	76.1 Å²	76.1	20%	0.196	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	110.8	173.2	-57.2	0	0	0	0	109	A2 Y3 T4 V17 F150	A2-T15 HydrophobicContact CB-CG2 3.71Å; Y3-T15 CarbonylContact O-C 3.58Å; Y3-T15 WeakPolarHBondContact O-CA 3.42Å; T4-T15 PolarHBondContact OG1-OG1 3.23Å; T15-V17 HydrophobicContact CG2-CG2 4.01Å; T15-F150 HydrophobicContact CG2-CE1 4.39Å; T15-F150 HydrophobicContact CG2-CZ 3.87Å
16	V	41.1	Very low	39.1	Very low	30 Å²	30	83.3 Å²	83.3	18%	0.182	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	106.3	171.2	-178.7	0	0	0	0	107.9	A2 Y3 I14 I129 I183	A2-V16 CarbonylContact C-O 3.49Å; A2-V16 WeakPolarHBondContact CA-O 3.29Å; A2-V16 WeakPolarHBondContact CB-O 2.95Å; Y3-V16 PolarHBondContact N-O 3.36Å; Y3-V16 PolarHBondContact O-N 3.06Å; I14-V16 HydrophobicContact CG2-CG2 4.01Å; V16-I129 HydrophobicContact CG2-CG2 4.07Å; V16-I183 HydrophobicContact CG1-CD1 4.07Å
17	V	38.7	Very low	39	Very low	43 Å²	43	82.6 Å²	82.6	26%	0.261	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	112.4	177.3	-173	0	0	0	0	109.2	A2 T15 Y19	A2-V17 HydrophobicContact CB-CB 4.18Å; A2-V17 HydrophobicContact CB-CG1 4.36Å; A2-V17 HydrophobicContact CB-CG2 3.86Å; T15-V17 HydrophobicContact CG2-CG2 4.01Å; V17-Y19 HydrophobicContact CB-CD2 4.34Å; V17-Y19 HydrophobicContact CB-CE2 3.75Å; V17-Y19 HydrophobicContact CG1-CD1 4.27Å; V17-Y19 HydrophobicContact CG1-CD2 3.89Å; V17-Y19 HydrophobicContact CG1-CE1 3.9Å; V17-Y19 HydrophobicContact CG1-CE2 3.46Å; V17-Y19 VanDerWaalsContact CG1-CE2 3.46Å; V17-Y19 HydrophobicContact CG1-CG 4.26Å; V17-Y19 VanDerWaalsContact CG1-CZ 3.48Å
18	T	43.2	Very low	38.4	Very low	24 Å²	24	90.2 Å²	90.2	15%	0.147	45%	0.449	C	S	.	.			trans	-89.7	115.8	166.7	65.7	0	0	0	0	109.3	M1 T20	M1-T18 PolarHBondContact N-O 3Å; M1-T18 PolarHBondContact N-OG1 3.37Å; M1-T18 VanDerWaalsContact N-OG1 3.07Å; M1-T18 WeakPolarHBondContact O-CB 3.45Å; M1-T18 PolarHBondContact O-N 2.91Å; M1-T18 PolarHBondContact O-OG1 3.12Å; T18-T20 PolarHBondContact O-N 3.13Å
19	Y	39.6	Very low	38.1	Very low	143 Å²	143	92.2 Å²	92.2	56%	0.561	45%	0.454	S	S	*	.			trans	-89.8	93.3	-179.8	-69.6	-88.6	0	0	0	110.6	V17 L152	V17-Y19 HydrophobicContact CB-CD2 4.34Å; V17-Y19 HydrophobicContact CB-CE2 3.75Å; V17-Y19 HydrophobicContact CG1-CD1 4.27Å; V17-Y19 HydrophobicContact CG1-CD2 3.89Å; V17-Y19 HydrophobicContact CG1-CE1 3.9Å; V17-Y19 HydrophobicContact CG1-CE2 3.46Å; V17-Y19 VanDerWaalsContact CG1-CE2 3.46Å; V17-Y19 HydrophobicContact CG1-CG 4.26Å; V17-Y19 VanDerWaalsContact CG1-CZ 3.48Å; Y19-L152 HydrophobicContact CD1-CD1 4.15Å; Y19-L152 HydrophobicContact CD1-CD2 4.47Å; Y19-L152 HydrophobicContact CE1-CD1 4.17Å; Y19-L152 HydrophobicContact CE1-CD2 3.69Å
20	T	42.9	Very low	37.9	Very low	30 Å²	30	89.1 Å²	89.1	18%	0.184	44%	0.435	C	S	.	.			trans	-142.6	89.2	168.1	47.2	0	0	0	0	109.9	T18 L22 C23 F24 K125	T18-T20 PolarHBondContact O-N 3.13Å; T20-L22 PolarHBondContact O-N 2.83Å; T20-C23 PolarHBondContact O-N 3.1Å; T20-F24 WeakPolarHBondContact O-CD2 3.38Å; T20-F24 WeakPolarHBondContact O-CE2 3.48Å; T20-K125 HydrophobicContact CG2-CD 3.71Å
21	K	46.1	Very low	38.4	Very low	181 Å²	181	89.4 Å²	89.4	79%	0.787	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-14.1	179.9	-82.7	-171.8	175.4	-177.1	0	115.6
22	L	43.8	Very low	39.3	Very low	118 Å²	118	82.4 Å²	82.4	62%	0.618	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	-1.3	-171.4	-75.7	146.5	0	0	0	114.9	T20 E120	T20-L22 PolarHBondContact O-N 2.83Å; L22-E120 PolarHBondContact O-N 3.47Å
23	C	50.8	Low	40.3	Very low	3 Å²	3	80.4 Å²	80.4	2%	0.02	39%	0.393	C	S	.	.			trans	-109.8	12.9	-168	-63.8	0	0	0	0	115.1	T20 T25 I117 C119	T20-C23 PolarHBondContact O-N 3.1Å; C23-T25 VanDerWaalsContact C-N 3.31Å; C23-T25 PolarHBondContact O-N 3.16Å; C23-I117 HydrophobicContact CB-CG2 3.73Å; C23-I117 WeakPolarHBondContact O-CG2 2.97Å; C23-C119 HydrophobicContact CB-CB 3.85Å; C23-C119 WeakPolarHBondContact CB-SG 3.47Å; C23-C119 WeakPolarHBondContact SG-CB 3.38Å; C23-C119 CovalentContact SG-SG 2.02Å; C23-C119 PolarHBondContact SG-SG 3.05Å
24	F	47.7	Very low	41.3	Very low	81 Å²	81	79.5 Å²	79.5	36%	0.355	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-11.1	-165	-76.8	-82.1	0	0	0	114.9	M1 T20	M1-F24 HydrophobicContact CB-CE1 4.29Å; T20-F24 WeakPolarHBondContact O-CD2 3.38Å; T20-F24 WeakPolarHBondContact O-CE2 3.48Å
25	T	40.4	Very low	41.9	Very low	89 Å²	89	77.1 Å²	77.1	55%	0.546	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-15.8	-158.3	-28	0	0	0	0	114	C23 E120	C23-T25 VanDerWaalsContact C-N 3.31Å; C23-T25 PolarHBondContact O-N 3.16Å; T25-E120 VanDerWaalsContact OG1-CD 3.22Å; T25-E120 WeakPolarHBondContact OG1-CG 3.39Å; T25-E120 PolarHBondContact OG1-OE1 3.18Å
26	K	35	Very low	43	Very low	154 Å²	154	77.5 Å²	77.5	67%	0.67	37%	0.373	S	S	*	.	B	Isolated β-bridge	trans	-149.9	94.3	176.5	-98.8	172.5	-178.9	169.6	0	112.3	K118	K26-K118 HydrophobicContact CB-CB 4.11Å; K26-K118 PolarHBondContact O-N 3.26Å
27	I	40	Very low	43.1	Very low	60 Å²	60	76.4 Å²	76.4	31%	0.308	37%	0.367	S	S	.	.			trans	-105	86.2	171.2	-60.2	169.2	0	0	0	107.8	M1 I117	M1-I27 HydrophobicContact CB-CD1 4.32Å; M1-I27 HydrophobicContact CE-CD1 3.18Å; M1-I27 HydrophobicContact SD-CD1 3.52Å; M1-I27 VanDerWaalsContact SD-CD1 3.52Å; I27-I117 HydrophobicContact CG1-CG1 4.31Å; I27-I117 HydrophobicContact CG1-CG2 4.01Å
28	M	29.1	Very low	43.2	Very low	172 Å²	172	77.2 Å²	77.2	85%	0.847	37%	0.37	S	S	*	.			trans	-167.4	91.7	159.5	-114.8	-164.7	74.1	0	0	108.4
29	Q	33.7	Very low	42.7	Very low	102 Å²	102	79.7 Å²	79.7	48%	0.477	39%	0.385	S	S	.	.	S	Bend	trans	-159.2	129.4	147.5	-113.8	162.7	13.6	0	0	111.4	I116	Q29-I116 WeakPolarHBondContact O-CB 3.32Å; Q29-I116 PolarHBondContact O-N 2.81Å
30	M	33.6	Very low	42.4	Very low	104 Å²	104	80.9 Å²	80.9	51%	0.512	40%	0.4	S	S	.	.			trans	56.5	93.7	168.6	-108.8	154.8	46.8	0	0	116	Y32 G115 I116	M30-Y32 HydrophobicContact CB-CD2 4.34Å; M30-Y32 HydrophobicContact CB-CE2 3.65Å; M30-Y32 HydrophobicContact CE-CE2 3.54Å; M30-Y32 WeakPolarHBondContact CE-OH 3.06Å; M30-Y32 HydrophobicContact CG-CE2 3.55Å; M30-Y32 WeakPolarHBondContact CG-OH 2.94Å; M30-Y32 HydrophobicContact SD-CE2 4.16Å; M30-Y32 PolarHBondContact SD-OH 3.29Å; M30-G115 WeakPolarHBondContact O-CA 3.43Å; M30-I116 HydrophobicContact CB-CD1 4.48Å; M30-I116 HydrophobicContact CE-CD1 3.98Å
31	M	41.9	Very low	41.7	Very low	58 Å²	58	87.4 Å²	87.4	29%	0.286	43%	0.429	S	S	.	.			trans	-92.3	117.9	167.7	-168.1	177.7	99.7	0	0	109.5	M33 I87 V93 L113 T114	M31-M33 HydrophobicContact CE-CE 3.92Å; M31-M33 HydrophobicContact CE-CG 3.85Å; M31-M33 HydrophobicContact CE-SD 3.39Å; M31-M33 WeakPolarHBondContact CE-SD 3.07Å; M31-I87 HydrophobicContact CE-CD1 3.86Å; M31-I87 HydrophobicContact CE-CG1 3.8Å; M31-V93 HydrophobicContact CE-CB 4.26Å; M31-V93 HydrophobicContact CE-CG1 3.36Å; M31-V93 HydrophobicContact CE-CG2 3.88Å; M31-V93 HydrophobicContact SD-CB 4.21Å; M31-V93 HydrophobicContact SD-CG1 3.83Å; M31-V93 HydrophobicContact SD-CG2 3.36Å; M31-V93 WeakPolarHBondContact SD-CG2 3.22Å; M31-L113 HydrophobicContact CE-CD1 4.02Å; M31-L113 HydrophobicContact CG-CD1 3.23Å; M31-L113 HydrophobicContact SD-CD1 3.34Å; M31-L113 WeakPolarHBondContact SD-CD1 3.35Å; M31-T114 VanDerWaalsContact CA-O 3.31Å; M31-T114 WeakPolarHBondContact CA-O 3.05Å
32	Y	49.2	Very low	40.9	Very low	111 Å²	111	84.6 Å²	84.6	44%	0.435	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	141.4	173.1	-61.2	-89.5	0	0	0	110.4	M30 T114	M30-Y32 HydrophobicContact CB-CD2 4.34Å; M30-Y32 HydrophobicContact CB-CE2 3.65Å; M30-Y32 HydrophobicContact CE-CE2 3.54Å; M30-Y32 WeakPolarHBondContact CE-OH 3.06Å; M30-Y32 HydrophobicContact CG-CE2 3.55Å; M30-Y32 WeakPolarHBondContact CG-OH 2.94Å; M30-Y32 HydrophobicContact SD-CE2 4.16Å; M30-Y32 PolarHBondContact SD-OH 3.29Å; Y32-T114 WeakPolarHBondContact CB-OG1 3.49Å; Y32-T114 PolarHBondContact N-O 3Å; Y32-T114 PolarHBondContact O-N 2.77Å; Y32-T114 VanDerWaalsContact O-N 3.11Å; Y32-T114 PolarHBondContact O-OG1 2.92Å
33	M	49	Very low	40.2	Very low	15 Å²	15	86.9 Å²	86.9	7%	0.074	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	102.1	-177.6	-60.3	176.7	-79.9	0	0	106.1	M31 S85 F95	M31-M33 HydrophobicContact CE-CE 3.92Å; M31-M33 HydrophobicContact CE-CG 3.85Å; M31-M33 HydrophobicContact CE-SD 3.39Å; M31-M33 WeakPolarHBondContact CE-SD 3.07Å; M33-S85 WeakPolarHBondContact SD-CB 3.19Å; M33-S85 PolarHBondContact SD-OG 3.24Å; M33-F95 HydrophobicContact CB-CE1 4.34Å; M33-F95 HydrophobicContact CB-CZ 4.21Å; M33-F95 HydrophobicContact CG-CE1 3.61Å; M33-F95 HydrophobicContact CG-CZ 3.68Å; M33-F95 HydrophobicContact SD-CD1 4.15Å; M33-F95 HydrophobicContact SD-CE1 3.41Å; M33-F95 WeakPolarHBondContact SD-CE1 3.36Å; M33-F95 HydrophobicContact SD-CZ 4.13Å
34	N	53.4	Low	39.3	Very low	62 Å²	62	94.3 Å²	94.3	33%	0.332	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.1	-176.4	-64.3	-42.4	0	0	0	108.3	E36 S111 K112	N34-E36 HydrophobicContact CB-CG 4.49Å; N34-S111 WeakPolarHBondContact O-CA 3.46Å; N34-K112 HydrophobicContact CB-CG 4.45Å; N34-K112 PolarHBondContact O-N 2.82Å
35	M	50.6	Low	38.3	Very low	8 Å²	8	97.5 Å²	97.5	4%	0.039	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.3	152.8	-75.9	-82.4	-86.1	0	0	105.8	Y50 F70 M83 Y97 I100 L109 I110 I136	M35-Y50 PolarHBondContact O-OH 2.84Å; M35-F70 HydrophobicContact CB-CD1 4.4Å; M35-F70 HydrophobicContact CB-CE1 3.95Å; M35-F70 HydrophobicContact CB-CE2 4.11Å; M35-F70 HydrophobicContact CB-CZ 3.79Å; M35-F70 HydrophobicContact CG-CE2 3.97Å; M35-F70 HydrophobicContact CG-CZ 3.92Å; M35-M83 HydrophobicContact CE-CE 3.94Å; M35-M83 HydrophobicContact CG-CE 3.09Å; M35-M83 HydrophobicContact CG-SD 3.45Å; M35-M83 WeakPolarHBondContact CG-SD 3.36Å; M35-M83 HydrophobicContact SD-CE 3.36Å; M35-M83 WeakPolarHBondContact SD-CE 3.44Å; M35-M83 HydrophobicContact SD-SD 4.5Å; M35-Y97 HydrophobicContact CE-CD1 4.44Å; M35-Y97 HydrophobicContact CE-CE1 4.23Å; M35-Y97 HydrophobicContact SD-CE1 4Å; M35-I100 HydrophobicContact CE-CD1 3.84Å; M35-L109 HydrophobicContact CE-CD1 4.32Å; M35-L109 HydrophobicContact CE-CD2 4.49Å; M35-I110 CarbonylContact C-O 3.49Å; M35-I110 WeakPolarHBondContact CA-O 3.49Å; M35-I136 HydrophobicContact CE-CG2 3.73Å; M35-I136 HydrophobicContact SD-CG2 4.16Å
36	E	53.8	Low	37.8	Very low	40 Å²	40	102.9 Å²	102.9	19%	0.187	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.2	172.4	-66.7	166.6	-148.9	0	0	109.2	N34 L47 Y50 L109 I110 K112	N34-E36 HydrophobicContact CB-CG 4.49Å; E36-L47 HydrophobicContact CB-CD2 4.38Å; E36-L47 HydrophobicContact CG-CD2 3.84Å; E36-Y50 WeakPolarHBondContact CA-OH 3.4Å; E36-Y50 PolarHBondContact N-OH 3.39Å; E36-L109 CarbonylContact O-C 3.54Å; E36-L109 WeakPolarHBondContact O-CA 3.2Å; E36-I110 HydrophobicContact CB-CB 4.25Å; E36-I110 PolarHBondContact N-O 3.06Å; E36-I110 PolarHBondContact O-N 2.86Å; E36-K112 VanDerWaalsContact OE1-CE 3.29Å; E36-K112 WeakPolarHBondContact OE1-CE 3.34Å; E36-K112 IonicContact OE1-NZ 3.86Å; E36-K112 PolarHBondContact OE1-NZ 2.85Å; E36-K112 IonicContact OE2-NZ 2.71Å
37	G	43.2	Very low	37.9	Very low	7 Å²	7	100.6 Å²	100.6	7%	0.072	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	115.3	175.5	0	0	0	0	0	110.6	Y50 K108	G37-Y50 PolarHBondContact N-OH 2.02Å; G37-K108 WeakPolarHBondContact CA-O 3.13Å
38	L	40.4	Very low	38.3	Very low	59 Å²	59	104.6 Å²	104.6	31%	0.309	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133.3	177.9	-73	147.5	0	0	0	110.8	K108 I110	L38-K108 HydrophobicContact CB-CB 4.19Å; L38-K108 HydrophobicContact CD1-CD 4.29Å; L38-K108 PolarHBondContact N-O 3.14Å; L38-K108 PolarHBondContact O-N 2.94Å; L38-I110 HydrophobicContact CD1-CD1 3.42Å; L38-I110 VanDerWaalsContact CD1-CD1 3.42Å; L38-I110 HydrophobicContact CD1-CG1 4.29Å
39	T	32.3	Very low	39.4	Very low	76 Å²	76	98 Å²	98	47%	0.466	49%	0.491	S	S	.	.			trans	-102.3	134.9	168	41.3	0	0	0	0	109.9	E41 N49 V107	T39-E41 VanDerWaalsContact C-N 3.28Å; T39-E41 PolarHBondContact O-N 3.48Å; T39-N49 WeakPolarHBondContact CG2-ND2 3.29Å; T39-N49 PolarHBondContact OG1-ND2 3.14Å; T39-V107 HydrophobicContact CG2-CG1 4.02Å
40	L	32.9	Very low	40.5	Very low	168 Å²	168	96.2 Å²	96.2	88%	0.88	48%	0.481	S	S	*	.			trans	-84.7	10.9	-176	-72.8	167.8	0	0	0	114.3
41	E	29.3	Very low	41.7	Very low	168 Å²	168	95.1 Å²	95.1	79%	0.785	48%	0.479	S	S	*	.	S	Bend	trans	-98.1	111.8	-179.6	-71.5	-176	171.6	0	0	111.2	T39	T39-E41 VanDerWaalsContact C-N 3.28Å; T39-E41 PolarHBondContact O-N 3.48Å
42	T	29.1	Very low	42.8	Very low	122 Å²	122	97.7 Å²	97.7	75%	0.748	49%	0.489	S	S	*	.	S	Bend	trans	73.7	96	160.9	65.7	0	0	0	0	118.5	H44	T42-H44 PolarHBondContact O-N 3.41Å
43	N	29.8	Very low	43.7	Very low	165 Å²	165	97.1 Å²	97.1	88%	0.882	49%	0.493	S	S	*	.	S	Bend	trans	38.2	16	141.6	-75.9	-8.6	0	0	0	122.4
44	H	30.1	Very low	44.7	Very low	159 Å²	159	100 Å²	100	74%	0.736	51%	0.509	S	S	*	.			trans	-131.3	91.6	167.5	-71.3	86.8	0	0	0	108.6	T42 Y46	T42-H44 PolarHBondContact O-N 3.41Å; H44-Y46 PolarHBondContact O-N 2.02Å
45	N	27.3	Very low	45.7	Very low	149 Å²	149	101 Å²	101	80%	0.797	52%	0.52	S	S	*	.			trans	-69.4	77.1	170.8	-71.8	-40.4	0	0	0	109.6
46	Y	31.3	Very low	46.8	Very low	201 Å²	201	103.4 Å²	103.4	79%	0.788	54%	0.542	S	S	*	.			trans	-138.6	124.5	163.5	-71.6	-76.2	0	0	0	110.2	H44 N48	H44-Y46 PolarHBondContact O-N 2.02Å; Y46-N48 PolarHBondContact O-N 2.76Å; Y46-N48 VanDerWaalsContact O-N 3.14Å
47	L	35.9	Very low	47.9	Very low	106 Å²	106	106.4 Å²	106.4	56%	0.555	56%	0.562	S	S	*	*			trans	-35.4	106.7	167.1	-66.3	129.1	0	0	0	112.4	E36	E36-L47 HydrophobicContact CB-CD2 4.38Å; E36-L47 HydrophobicContact CG-CD2 3.84Å
48	N	48.1	Very low	49.5	Very low	144 Å²	144	110 Å²	110	77%	0.77	58%	0.58	S	S	*	*			trans	-155.5	18.7	170.9	-124.3	8.2	0	0	0	119	Y46 Y50	Y46-N48 PolarHBondContact O-N 2.76Å; Y46-N48 VanDerWaalsContact O-N 3.14Å; N48-Y50 VanDerWaalsContact C-N 3.29Å
49	N	52.8	Low	50.9	Low	34 Å²	34	113.4 Å²	113.4	18%	0.182	60%	0.598	C	S	.	*			trans	-85.1	0.1	171.5	-70.5	-33.9	0	0	0	113.8	T39 V51 I72 N73	T39-N49 WeakPolarHBondContact CG2-ND2 3.29Å; T39-N49 PolarHBondContact OG1-ND2 3.14Å; N49-V51 PolarHBondContact O-N 2.63Å; N49-I72 HydrophobicContact CB-CG2 3.93Å; N49-I72 VanDerWaalsContact O-CA 3.31Å; N49-I72 WeakPolarHBondContact O-CA 2.88Å; N49-N73 PolarHBondContact O-N 3.4Å
50	Y	56.3	Low	52.9	Low	65 Å²	65	114.5 Å²	114.5	26%	0.255	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75	108.6	175.6	-75	-76.8	0	0	0	110.4	M35 E36 G37 N48 F70 I72	M35-Y50 PolarHBondContact O-OH 2.84Å; E36-Y50 WeakPolarHBondContact CA-OH 3.4Å; E36-Y50 PolarHBondContact N-OH 3.39Å; G37-Y50 PolarHBondContact N-OH 2.02Å; N48-Y50 VanDerWaalsContact C-N 3.29Å; Y50-F70 HydrophobicContact CD1-CD1 4.33Å; Y50-F70 HydrophobicContact CE1-CB 4.2Å; Y50-F70 AromaticContact CE1-CD1 3.72Å; Y50-F70 HydrophobicContact CE1-CD1 3.72Å; Y50-F70 HydrophobicContact CE1-CG 4.33Å; Y50-I72 HydrophobicContact CE1-CG1 4.46Å
51	V	58.5	Low	54.6	Low	81 Å²	81	115.9 Å²	115.9	49%	0.491	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.6	-42.6	172.7	-177.1	0	0	0	0	109.7	N49 S71 N73	N49-V51 PolarHBondContact O-N 2.63Å; V51-S71 PolarHBondContact N-O 3.03Å; V51-N73 HydrophobicContact CG2-CB 4.07Å
52	K	64.9	Low	56.8	Low	112 Å²	112	115.3 Å²	115.3	49%	0.487	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-153.8	141.4	-173.5	-163.2	173.3	-175.9	177.4	0	111.5	N54 F70 S71	K52-N54 WeakPolarHBondContact CE-OD1 3.39Å; K52-F70 WeakPolarHBondContact O-CA 3.43Å; K52-S71 PolarHBondContact O-N 3.04Å
53	L	69.1	Low	59	Low	99 Å²	99	111.8 Å²	111.8	52%	0.518	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.9	117.6	167.9	176.4	64.9	0	0	0	108.3	R68 T69 F70	L53-R68 HydrophobicContact CD1-CB 4.13Å; L53-R68 HydrophobicContact CD1-CG 4.41Å; L53-T69 WeakPolarHBondContact CA-O 3.03Å; L53-F70 HydrophobicContact CD1-CD1 3.47Å; L53-F70 VanDerWaalsContact CD1-CD1 3.47Å; L53-F70 HydrophobicContact CD1-CE1 3.43Å; L53-F70 VanDerWaalsContact CD1-CE1 3.43Å; L53-F70 HydrophobicContact CD1-CG 4.3Å; L53-F70 HydrophobicContact CD1-CZ 4.21Å
54	N	69.8	Low	61.3	Low	76 Å²	76	107.7 Å²	107.7	41%	0.406	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.8	168.4	-67.7	-24.2	0	0	0	108.8	K52 R68 T69	K52-N54 WeakPolarHBondContact CE-OD1 3.39Å; N54-R68 CarbonylContact O-C 3.6Å; N54-R68 VanDerWaalsContact O-CA 3.29Å; N54-R68 WeakPolarHBondContact O-CA 3.34Å; N54-T69 PolarHBondContact N-O 3.02Å; N54-T69 PolarHBondContact O-N 2.61Å
55	S	74	Confident	63.7	Low	82 Å²	82	100.2 Å²	100.2	57%	0.573	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	131.5	174.1	56.3	0	0	0	0	110.6	K67	S55-K67 CarbonylContact C-O 3.45Å; S55-K67 VanDerWaalsContact CA-O 3.25Å; S55-K67 WeakPolarHBondContact CA-O 3.46Å
56	A	74.3	Confident	66.3	Low	59 Å²	59	94.1 Å²	94.1	49%	0.488	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129	167	0	0	0	0	0	108.5	V66 K67	A56-V66 CarbonylContact O-C 3.58Å; A56-V66 WeakPolarHBondContact O-CA 3.33Å; A56-K67 HydrophobicContact CB-CB 4.43Å; A56-K67 PolarHBondContact N-O 3.31Å; A56-K67 PolarHBondContact O-N 2.85Å
57	V	76.6	Confident	68.9	Low	102 Å²	102	89.1 Å²	89.1	62%	0.618	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	130	176.2	-177.2	0	0	0	0	108.1	G65 V66	V57-G65 CarbonylContact C-O 3.52Å; V57-G65 WeakPolarHBondContact CA-O 3.03Å; V57-V66 HydrophobicContact CG2-CG2 4.46Å
58	L	76	Confident	71.2	Confident	83 Å²	83	86 Å²	86	44%	0.435	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	112.5	166.6	-179.1	66.8	0	0	0	106.4	E60 L63 G65	L58-E60 HydrophobicContact CD1-CG 3.98Å; L58-E60 HydrophobicContact CD2-CG 4.48Å; L58-E60 HydrophobicContact CG-CG 4.03Å; L58-L63 HydrophobicContact CD2-CD1 3.86Å; L58-L63 HydrophobicContact CG-CD1 4.37Å; L58-G65 PolarHBondContact N-O 3.21Å; L58-G65 PolarHBondContact O-N 3.2Å
59	D	71.8	Confident	73	Confident	130 Å²	130	80.6 Å²	80.6	70%	0.695	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	95.6	175.1	-169.7	9.2	0	0	0	107.5
60	E	73.5	Confident	74.4	Confident	99 Å²	99	79.4 Å²	79.4	46%	0.463	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	152.4	171.2	-66.4	179.6	-175.1	0	0	108.1	L58 K62 L63	L58-E60 HydrophobicContact CD1-CG 3.98Å; L58-E60 HydrophobicContact CD2-CG 4.48Å; L58-E60 HydrophobicContact CG-CG 4.03Å; E60-K62 PolarHBondContact O-N 2.77Å; E60-L63 HydrophobicContact CB-CG 4.21Å; E60-L63 PolarHBondContact N-O 3.35Å; E60-L63 VanDerWaalsContact N-O 3.11Å; E60-L63 PolarHBondContact O-N 3.46Å
61	E	67.5	Low	75.6	Confident	198 Å²	198	76.4 Å²	76.4	93%	0.925	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-23.6	-176	-64.9	-176.7	166.8	0	0	114.6
62	K	75.8	Confident	76.6	Confident	156 Å²	156	72.6 Å²	72.6	68%	0.678	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.8	5	-173.2	-61.4	-179.2	-175.9	173.3	0	114.2	E60 P89	E60-K62 PolarHBondContact O-N 2.77Å; K62-P89 HydrophobicContact CB-CG 4.48Å; K62-P89 WeakPolarHBondContact O-CD 3.11Å; K62-P89 WeakPolarHBondContact O-CG 3.33Å
63	L	75.5	Confident	77.1	Confident	47 Å²	47	70.1 Å²	70.1	25%	0.246	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	142.5	174.7	65.5	100.2	0	0	0	111.2	L58 E60 L86	L58-L63 HydrophobicContact CD2-CD1 3.86Å; L58-L63 HydrophobicContact CG-CD1 4.37Å; E60-L63 HydrophobicContact CB-CG 4.21Å; E60-L63 PolarHBondContact N-O 3.35Å; E60-L63 VanDerWaalsContact N-O 3.11Å; E60-L63 PolarHBondContact O-N 3.46Å; L63-L86 HydrophobicContact CD1-CD2 4.31Å
64	I	78.4	Confident	77.5	Confident	79 Å²	79	66 Å²	66	41%	0.405	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	116.2	169.1	-60.5	172	0	0	0	107.5	L86 I87	I64-L86 CarbonylContact O-C 3.46Å; I64-L86 WeakPolarHBondContact O-CA 3.11Å; I64-I87 HydrophobicContact CB-CB 4.42Å; I64-I87 PolarHBondContact N-O 3.35Å; I64-I87 VanDerWaalsContact N-O 3.1Å; I64-I87 PolarHBondContact O-N 3.21Å
65	G	80.8	Confident	77.9	Confident	2 Å²	2	69.3 Å²	69.3	2%	0.021	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.4	174.7	0	0	0	0	0	111.5	V57 L58 S85	V57-G65 CarbonylContact C-O 3.52Å; V57-G65 WeakPolarHBondContact CA-O 3.03Å; L58-G65 PolarHBondContact N-O 3.21Å; L58-G65 PolarHBondContact O-N 3.2Å; G65-S85 CarbonylContact C-O 3.55Å; G65-S85 VanDerWaalsContact CA-O 3.31Å; G65-S85 WeakPolarHBondContact CA-O 3.43Å
66	V	81.3	Confident	78	Confident	22 Å²	22	68.6 Å²	68.6	13%	0.133	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	108.3	169.2	-174.3	0	0	0	0	108.3	A56 V57 R68 S85	A56-V66 CarbonylContact O-C 3.58Å; A56-V66 WeakPolarHBondContact O-CA 3.33Å; V57-V66 HydrophobicContact CG2-CG2 4.46Å; V66-R68 HydrophobicContact CG1-CG 4.07Å; V66-S85 PolarHBondContact N-O 2.91Å; V66-S85 PolarHBondContact O-N 2.87Å
67	K	86.4	Confident	78.4	Confident	96 Å²	96	67.8 Å²	67.8	42%	0.417	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124	171.2	-176.2	169.2	-174.4	169.4	0	109.1	S55 A56 T82 M83 T84	S55-K67 CarbonylContact C-O 3.45Å; S55-K67 VanDerWaalsContact CA-O 3.25Å; S55-K67 WeakPolarHBondContact CA-O 3.46Å; A56-K67 HydrophobicContact CB-CB 4.43Å; A56-K67 PolarHBondContact N-O 3.31Å; A56-K67 PolarHBondContact O-N 2.85Å; K67-T82 HydrophobicContact CD-CG2 4.33Å; K67-T82 HydrophobicContact CG-CG2 4.02Å; K67-M83 CarbonylContact C-O 3.48Å; K67-M83 WeakPolarHBondContact CA-O 3.35Å; K67-T84 HydrophobicContact CB-CG2 4.48Å
68	R	84.1	Confident	78.7	Confident	41 Å²	41	68.1 Å²	68.1	16%	0.155	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.3	177.5	-63.6	-175	178.6	83.8	0.9	110.4	L53 N54 V66 F70 T82 M83 S85	L53-R68 HydrophobicContact CD1-CB 4.13Å; L53-R68 HydrophobicContact CD1-CG 4.41Å; N54-R68 CarbonylContact O-C 3.6Å; N54-R68 VanDerWaalsContact O-CA 3.29Å; N54-R68 WeakPolarHBondContact O-CA 3.34Å; V66-R68 HydrophobicContact CG1-CG 4.07Å; R68-F70 HydrophobicContact CB-CD2 4.42Å; R68-F70 HydrophobicContact CB-CE1 4.2Å; R68-F70 HydrophobicContact CB-CE2 3.61Å; R68-F70 HydrophobicContact CB-CZ 3.48Å; R68-F70 VanDerWaalsContact CB-CZ 3.48Å; R68-F70 HydrophobicContact CG-CZ 4.23Å; R68-T82 CarbonylContact O-C 3.5Å; R68-T82 VanDerWaalsContact O-CA 3.31Å; R68-T82 WeakPolarHBondContact O-CA 3.42Å; R68-M83 HydrophobicContact CB-CG 4.27Å; R68-M83 PolarHBondContact N-O 3.33Å; R68-M83 PolarHBondContact O-N 2.83Å; R68-S85 PolarHBondContact NH1-OG 2.96Å
69	T	85.8	Confident	79.1	Confident	30 Å²	30	64.5 Å²	64.5	18%	0.184	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	121.6	167.9	-58.9	0	0	0	0	108.5	L53 N54 E80 A81 T82	L53-T69 WeakPolarHBondContact CA-O 3.03Å; N54-T69 PolarHBondContact N-O 3.02Å; N54-T69 PolarHBondContact O-N 2.61Å; T69-E80 HydrophobicContact CG2-CB 4.49Å; T69-A81 CarbonylContact C-O 3.49Å; T69-A81 VanDerWaalsContact CA-O 3.3Å; T69-A81 WeakPolarHBondContact CA-O 3.1Å; T69-T82 PolarHBondContact OG1-OG1 2.77Å
70	F	81.9	Confident	79.9	Confident	8 Å²	8	62.8 Å²	62.8	4%	0.035	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.5	179.6	-48.6	-92.1	0	0	0	108.9	M35 Y50 K52 L53 R68 I72 E80 A81 M83	M35-F70 HydrophobicContact CB-CD1 4.4Å; M35-F70 HydrophobicContact CB-CE1 3.95Å; M35-F70 HydrophobicContact CB-CE2 4.11Å; M35-F70 HydrophobicContact CB-CZ 3.79Å; M35-F70 HydrophobicContact CG-CE2 3.97Å; M35-F70 HydrophobicContact CG-CZ 3.92Å; Y50-F70 HydrophobicContact CD1-CD1 4.33Å; Y50-F70 HydrophobicContact CE1-CB 4.2Å; Y50-F70 AromaticContact CE1-CD1 3.72Å; Y50-F70 HydrophobicContact CE1-CD1 3.72Å; Y50-F70 HydrophobicContact CE1-CG 4.33Å; K52-F70 WeakPolarHBondContact O-CA 3.43Å; L53-F70 HydrophobicContact CD1-CD1 3.47Å; L53-F70 VanDerWaalsContact CD1-CD1 3.47Å; L53-F70 HydrophobicContact CD1-CE1 3.43Å; L53-F70 VanDerWaalsContact CD1-CE1 3.43Å; L53-F70 HydrophobicContact CD1-CG 4.3Å; L53-F70 HydrophobicContact CD1-CZ 4.21Å; R68-F70 HydrophobicContact CB-CD2 4.42Å; R68-F70 HydrophobicContact CB-CE1 4.2Å; R68-F70 HydrophobicContact CB-CE2 3.61Å; R68-F70 HydrophobicContact CB-CZ 3.48Å; R68-F70 VanDerWaalsContact CB-CZ 3.48Å; R68-F70 HydrophobicContact CG-CZ 4.23Å; F70-I72 HydrophobicContact CB-CG1 4.42Å; F70-E80 CarbonylContact O-C 3.5Å; F70-E80 VanDerWaalsContact O-CA 3.3Å; F70-E80 WeakPolarHBondContact O-CA 3.13Å; F70-A81 PolarHBondContact N-O 2.86Å; F70-A81 PolarHBondContact O-N 3.18Å; F70-M83 HydrophobicContact CE2-CB 4.42Å; F70-M83 HydrophobicContact CE2-CG 3.73Å; F70-M83 HydrophobicContact CE2-SD 3.62Å; F70-M83 HydrophobicContact CZ-CG 4.24Å; F70-M83 HydrophobicContact CZ-SD 3.7Å
71	S	82.1	Confident	80.5	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	117.6	166.4	-70.7	0	0	0	0	109.2	V51 K52 E78	V51-S71 PolarHBondContact N-O 3.03Å; K52-S71 PolarHBondContact O-N 3.04Å; S71-E78 WeakPolarHBondContact CB-OE1 3.13Å; S71-E78 PolarHBondContact OG-OE1 2.76Å
72	I	78.7	Confident	81.6	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127	-179.1	-56.7	172	0	0	0	108.5	N49 Y50 F70 V74 V79 L104 L109	N49-I72 HydrophobicContact CB-CG2 3.93Å; N49-I72 VanDerWaalsContact O-CA 3.31Å; N49-I72 WeakPolarHBondContact O-CA 2.88Å; Y50-I72 HydrophobicContact CE1-CG1 4.46Å; F70-I72 HydrophobicContact CB-CG1 4.42Å; I72-V74 HydrophobicContact CG2-CG2 4.04Å; I72-V74 PolarHBondContact O-N 2.91Å; I72-V79 PolarHBondContact N-O 2.76Å; I72-V79 PolarHBondContact O-N 2.89Å; I72-L104 HydrophobicContact CB-CD2 3.98Å; I72-L104 HydrophobicContact CD1-CD1 4.06Å; I72-L104 HydrophobicContact CD1-CD2 4.01Å; I72-L104 HydrophobicContact CG2-CD2 4.18Å; I72-L109 HydrophobicContact CD1-CD2 3.97Å
73	N	75.8	Confident	82.2	Confident	59 Å²	59	42.2 Å²	42.2	32%	0.316	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	121.1	170.9	-164.7	-61.5	0	0	0	109.8	N49 V51 G76	N49-N73 PolarHBondContact O-N 3.4Å; V51-N73 HydrophobicContact CG2-CB 4.07Å; N73-G76 VanDerWaalsContact OD1-CA 3.3Å; N73-G76 WeakPolarHBondContact OD1-CA 3.41Å; N73-G76 PolarHBondContact OD1-N 3.48Å
74	V	77	Confident	82.8	Confident	12 Å²	12	41 Å²	41	7%	0.073	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	110.1	173.2	-177.2	0	0	0	0	108.4	I72 G76 A77 V79 L104 V107	I72-V74 HydrophobicContact CG2-CG2 4.04Å; I72-V74 PolarHBondContact O-N 2.91Å; V74-G76 VanDerWaalsContact C-N 3.31Å; V74-G76 PolarHBondContact O-N 2.87Å; V74-A77 PolarHBondContact N-O 3.25Å; V74-A77 PolarHBondContact O-N 3.25Å; V74-A77 VanDerWaalsContact O-N 3.13Å; V74-V79 HydrophobicContact CB-CG2 4.2Å; V74-V79 HydrophobicContact CG2-CG2 4.31Å; V74-L104 HydrophobicContact CG2-CD2 3.67Å; V74-V107 HydrophobicContact CG1-CG1 4.36Å; V74-V107 HydrophobicContact CG2-CG1 3.9Å
75	N	77.9	Confident	83.1	Confident	147 Å²	147	37.3 Å²	37.3	79%	0.786	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	42.8	179.7	-58.3	-1.6	0	0	0	113.3	A77	N75-A77 PolarHBondContact O-N 2.94Å
76	G	77.4	Confident	83.3	Confident	67 Å²	67	39.4 Å²	39.4	69%	0.691	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.8	-3.7	179.3	0	0	0	0	0	114.7	N73 V74	N73-G76 VanDerWaalsContact OD1-CA 3.3Å; N73-G76 WeakPolarHBondContact OD1-CA 3.41Å; N73-G76 PolarHBondContact OD1-N 3.48Å; V74-G76 VanDerWaalsContact C-N 3.31Å; V74-G76 PolarHBondContact O-N 2.87Å
77	A	81.4	Confident	83.3	Confident	42 Å²	42	41.2 Å²	41.2	35%	0.347	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131.5	173.1	0	0	0	0	0	110.8	V74 N75	V74-A77 PolarHBondContact N-O 3.25Å; V74-A77 PolarHBondContact O-N 3.25Å; V74-A77 VanDerWaalsContact O-N 3.13Å; N75-A77 PolarHBondContact O-N 2.94Å
78	E	83.7	Confident	83.1	Confident	108 Å²	108	38.9 Å²	38.9	51%	0.505	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	126.4	171.9	-168.3	176.4	163.4	0	0	110	S71	S71-E78 WeakPolarHBondContact CB-OE1 3.13Å; S71-E78 PolarHBondContact OG-OE1 2.76Å
79	V	85.2	Confident	82.9	Confident	8 Å²	8	42 Å²	42	5%	0.048	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	117.3	179.8	-178.5	0	0	0	0	108.8	I72 V74 P101 K103 L104	I72-V79 PolarHBondContact N-O 2.76Å; I72-V79 PolarHBondContact O-N 2.89Å; V74-V79 HydrophobicContact CB-CG2 4.2Å; V74-V79 HydrophobicContact CG2-CG2 4.31Å; V79-P101 HydrophobicContact CG1-CB 3.66Å; V79-P101 HydrophobicContact CG1-CG 3.63Å; V79-K103 HydrophobicContact CG1-CB 4.39Å; V79-K103 HydrophobicContact CG2-CB 4.19Å; V79-K103 HydrophobicContact CG2-CD 3.97Å; V79-L104 HydrophobicContact CB-CD2 3.89Å; V79-L104 HydrophobicContact CG1-CD1 4.34Å; V79-L104 HydrophobicContact CG1-CD2 3.69Å; V79-L104 HydrophobicContact CG1-CG 3.79Å
80	E	87.6	Confident	82.4	Confident	94 Å²	94	46.1 Å²	46.1	44%	0.439	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	126.8	178.1	-66.7	-173	148	0	0	112.2	T69 F70 P101	T69-E80 HydrophobicContact CG2-CB 4.49Å; F70-E80 CarbonylContact O-C 3.5Å; F70-E80 VanDerWaalsContact O-CA 3.3Å; F70-E80 WeakPolarHBondContact O-CA 3.13Å; E80-P101 VanDerWaalsContact O-CD 3.28Å; E80-P101 WeakPolarHBondContact O-CD 3.23Å; E80-P101 WeakPolarHBondContact O-CG 3.36Å
81	A	86.8	Confident	82	Confident	0 Å²	0	48 Å²	48	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	145.5	165.1	0	0	0	0	0	110.7	T69 F70 K99 I100 L104	T69-A81 CarbonylContact C-O 3.49Å; T69-A81 VanDerWaalsContact CA-O 3.3Å; T69-A81 WeakPolarHBondContact CA-O 3.1Å; F70-A81 PolarHBondContact N-O 2.86Å; F70-A81 PolarHBondContact O-N 3.18Å; A81-K99 CarbonylContact C-O 3.57Å; A81-K99 WeakPolarHBondContact CA-O 3.42Å; A81-I100 HydrophobicContact CB-CD1 3.88Å; A81-L104 HydrophobicContact CB-CD1 3.62Å
82	T	89.2	Confident	81.9	Confident	18 Å²	18	50.1 Å²	50.1	11%	0.11	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.1	175.5	-52.8	0	0	0	0	109.7	K67 R68 T69 D98 K99	K67-T82 HydrophobicContact CD-CG2 4.33Å; K67-T82 HydrophobicContact CG-CG2 4.02Å; R68-T82 CarbonylContact O-C 3.5Å; R68-T82 VanDerWaalsContact O-CA 3.31Å; R68-T82 WeakPolarHBondContact O-CA 3.42Å; T69-T82 PolarHBondContact OG1-OG1 2.77Å; T82-D98 HydrophobicContact CG2-CB 3.9Å; T82-D98 PolarHBondContact O-N 3.03Å; T82-D98 VanDerWaalsContact O-N 3.07Å; T82-K99 PolarHBondContact N-O 2.97Å; T82-K99 PolarHBondContact O-N 2.92Å
83	M	89	Confident	82.2	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	153.6	171.4	86	-174.1	-10.1	0	0	110.1	M35 K67 R68 F70 Y96 Y97 D98	M35-M83 HydrophobicContact CE-CE 3.94Å; M35-M83 HydrophobicContact CG-CE 3.09Å; M35-M83 HydrophobicContact CG-SD 3.45Å; M35-M83 WeakPolarHBondContact CG-SD 3.36Å; M35-M83 HydrophobicContact SD-CE 3.36Å; M35-M83 WeakPolarHBondContact SD-CE 3.44Å; M35-M83 HydrophobicContact SD-SD 4.5Å; K67-M83 CarbonylContact C-O 3.48Å; K67-M83 WeakPolarHBondContact CA-O 3.35Å; R68-M83 HydrophobicContact CB-CG 4.27Å; R68-M83 PolarHBondContact N-O 3.33Å; R68-M83 PolarHBondContact O-N 2.83Å; F70-M83 HydrophobicContact CE2-CB 4.42Å; F70-M83 HydrophobicContact CE2-CG 3.73Å; F70-M83 HydrophobicContact CE2-SD 3.62Å; F70-M83 HydrophobicContact CZ-CG 4.24Å; F70-M83 HydrophobicContact CZ-SD 3.7Å; M83-Y96 CarbonylContact C-O 3.53Å; M83-Y96 WeakPolarHBondContact CA-O 3.36Å; M83-Y96 WeakPolarHBondContact CB-O 3.18Å; M83-Y97 HydrophobicContact CB-CD1 4.45Å; M83-Y97 HydrophobicContact CE-CD1 3.75Å; M83-Y97 HydrophobicContact CE-CE1 3.36Å; M83-D98 VanDerWaalsContact CA-OD2 3.26Å; M83-D98 WeakPolarHBondContact CA-OD2 3.46Å
84	T	87.8	Confident	82.7	Confident	23 Å²	23	48 Å²	48	14%	0.141	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.8	174.8	-58.8	0	0	0	0	108.5	K67 L86 Y96 D98	K67-T84 HydrophobicContact CB-CG2 4.48Å; T84-L86 HydrophobicContact CG2-CD2 3.88Å; T84-L86 HydrophobicContact CG2-CG 4.36Å; T84-Y96 PolarHBondContact N-O 2.96Å; T84-Y96 PolarHBondContact O-N 2.82Å; T84-D98 WeakPolarHBondContact CB-OD2 3.41Å; T84-D98 PolarHBondContact N-OD2 3.23Å; T84-D98 PolarHBondContact OG1-OD1 2.8Å; T84-D98 PolarHBondContact OG1-OD2 3.21Å
85	S	85.8	Confident	83.3	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.007	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136.8	174.9	-50.8	0	0	0	0	110.1	M33 G65 V66 R68 S94	M33-S85 WeakPolarHBondContact SD-CB 3.19Å; M33-S85 PolarHBondContact SD-OG 3.24Å; G65-S85 CarbonylContact C-O 3.55Å; G65-S85 VanDerWaalsContact CA-O 3.31Å; G65-S85 WeakPolarHBondContact CA-O 3.43Å; V66-S85 PolarHBondContact N-O 2.91Å; V66-S85 PolarHBondContact O-N 2.87Å; R68-S85 PolarHBondContact NH1-OG 2.96Å; S85-S94 CarbonylContact C-O 3.53Å; S85-S94 VanDerWaalsContact CA-O 3.28Å; S85-S94 WeakPolarHBondContact CA-O 3.43Å
86	L	83.7	Confident	83.9	Confident	45 Å²	45	44.7 Å²	44.7	24%	0.236	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.3	-177.8	-55	173.8	0	0	0	109.7	L63 I64 T84 V93 S94	L63-L86 HydrophobicContact CD1-CD2 4.31Å; I64-L86 CarbonylContact O-C 3.46Å; I64-L86 WeakPolarHBondContact O-CA 3.11Å; T84-L86 HydrophobicContact CG2-CD2 3.88Å; T84-L86 HydrophobicContact CG2-CG 4.36Å; L86-V93 CarbonylContact O-C 3.48Å; L86-V93 WeakPolarHBondContact O-CA 3.21Å; L86-S94 PolarHBondContact N-O 2.02Å; L86-S94 PolarHBondContact O-N 3.07Å
87	I	82.6	Confident	84.5	Confident	60 Å²	60	41.5 Å²	41.5	31%	0.308	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	118	169.8	-55.9	175.5	0	0	0	107	M31 I64	M31-I87 HydrophobicContact CE-CD1 3.86Å; M31-I87 HydrophobicContact CE-CG1 3.8Å; I64-I87 HydrophobicContact CB-CB 4.42Å; I64-I87 PolarHBondContact N-O 3.35Å; I64-I87 VanDerWaalsContact N-O 3.1Å; I64-I87 PolarHBondContact O-N 3.21Å
88	H	82.2	Confident	84.9	Confident	48 Å²	48	41.8 Å²	41.8	22%	0.222	23%	0.226	C	C	.	.			trans	-91.1	152.6	180	-63	-102.2	0	0	0	110.2	N90 G91 K92 S94	H88-N90 WeakPolarHBondContact CB-OD1 3.04Å; H88-N90 PolarHBondContact O-N 2.71Å; H88-N90 VanDerWaalsContact O-N 3.1Å; H88-G91 PolarHBondContact O-N 3.38Å; H88-K92 HydrophobicContact CB-CB 4.08Å; H88-K92 PolarHBondContact CD2-O 3.42Å; H88-K92 PolarHBondContact N-O 2.78Å; H88-S94 PolarHBondContact NE2-OG 3.36Å; H88-S94 VanDerWaalsContact NE2-OG 3.12Å
89	P	78.4	Confident	85.3	Confident	105 Å²	105	41.9 Å²	41.9	68%	0.682	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.9	-179.2	-25	35	0	0	0	113.7	K62 G91	K62-P89 HydrophobicContact CB-CG 4.48Å; K62-P89 WeakPolarHBondContact O-CD 3.11Å; K62-P89 WeakPolarHBondContact O-CG 3.33Å; P89-G91 PolarHBondContact O-N 3.1Å
90	N	77.3	Confident	85.5	Confident	117 Å²	117	41.6 Å²	41.6	63%	0.626	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	7.6	176.1	67.9	-0.6	0	0	0	113.7	H88 K92	H88-N90 WeakPolarHBondContact CB-OD1 3.04Å; H88-N90 PolarHBondContact O-N 2.71Å; H88-N90 VanDerWaalsContact O-N 3.1Å; N90-K92 VanDerWaalsContact C-N 3.29Å; N90-K92 PolarHBondContact O-N 2.93Å; N90-K92 WeakPolarHBondContact OD1-CB 3.44Å; N90-K92 PolarHBondContact OD1-N 3.31Å
91	G	72.4	Confident	85.6	Confident	49 Å²	49	38.5 Å²	38.5	51%	0.505	21%	0.211	S	C	.	.	S	Bend	trans	80.3	1.9	-179	0	0	0	0	0	114.8	H88 P89	H88-G91 PolarHBondContact O-N 3.38Å; P89-G91 PolarHBondContact O-N 3.1Å
92	K	80.7	Confident	85.5	Confident	47 Å²	47	45.8 Å²	45.8	20%	0.204	24%	0.242	C	C	.	.			trans	-67.4	139.1	170.6	-174.6	177.1	65.6	165.6	0	109.5	H88 N90 E143	H88-K92 HydrophobicContact CB-CB 4.08Å; H88-K92 PolarHBondContact CD2-O 3.42Å; H88-K92 PolarHBondContact N-O 2.78Å; N90-K92 VanDerWaalsContact C-N 3.29Å; N90-K92 PolarHBondContact O-N 2.93Å; N90-K92 WeakPolarHBondContact OD1-CB 3.44Å; N90-K92 PolarHBondContact OD1-N 3.31Å; K92-E143 HydrophobicContact CD-CB 4.44Å; K92-E143 WeakPolarHBondContact CE-OE1 3.39Å; K92-E143 IonicContact NZ-OE1 2.63Å; K92-E143 PolarHBondContact NZ-OE1 2.6Å
93	V	84.1	Confident	85.2	Confident	12 Å²	12	51.3 Å²	51.3	7%	0.073	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.4	174.4	177	0	0	0	0	108.3	M31 L86 F95 L113 E143 F144	M31-V93 HydrophobicContact CE-CB 4.26Å; M31-V93 HydrophobicContact CE-CG1 3.36Å; M31-V93 HydrophobicContact CE-CG2 3.88Å; M31-V93 HydrophobicContact SD-CB 4.21Å; M31-V93 HydrophobicContact SD-CG1 3.83Å; M31-V93 HydrophobicContact SD-CG2 3.36Å; M31-V93 WeakPolarHBondContact SD-CG2 3.22Å; L86-V93 CarbonylContact O-C 3.48Å; L86-V93 WeakPolarHBondContact O-CA 3.21Å; V93-F95 HydrophobicContact CG1-CD1 4.18Å; V93-F95 HydrophobicContact CG1-CE1 3.65Å; V93-F95 HydrophobicContact CG1-CZ 4.49Å; V93-L113 HydrophobicContact CG1-CD1 4.25Å; V93-E143 CarbonylContact O-C 3.55Å; V93-E143 WeakPolarHBondContact O-CA 3.29Å; V93-F144 HydrophobicContact CB-CB 4.25Å; V93-F144 HydrophobicContact CB-CD2 4.21Å; V93-F144 HydrophobicContact CG1-CD2 4.08Å; V93-F144 PolarHBondContact N-O 2.92Å; V93-F144 PolarHBondContact O-N 2.68Å
94	S	86.6	Confident	84.7	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.014	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	132.5	179	-50.9	0	0	0	0	110.6	S85 L86 H88 V142	S85-S94 CarbonylContact C-O 3.53Å; S85-S94 VanDerWaalsContact CA-O 3.28Å; S85-S94 WeakPolarHBondContact CA-O 3.43Å; L86-S94 PolarHBondContact N-O 2.02Å; L86-S94 PolarHBondContact O-N 3.07Å; H88-S94 PolarHBondContact NE2-OG 3.36Å; H88-S94 VanDerWaalsContact NE2-OG 3.12Å; S94-V142 CarbonylContact C-O 3.55Å; S94-V142 WeakPolarHBondContact CA-O 3.36Å
95	F	89.1	Confident	84.1	Confident	1 Å²	1	57.3 Å²	57.3	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	118.4	168.3	-62.8	-7.1	0	0	0	108.9	M33 V93 Y97 L113 V131 L141 V142 F144	M33-F95 HydrophobicContact CB-CE1 4.34Å; M33-F95 HydrophobicContact CB-CZ 4.21Å; M33-F95 HydrophobicContact CG-CE1 3.61Å; M33-F95 HydrophobicContact CG-CZ 3.68Å; M33-F95 HydrophobicContact SD-CD1 4.15Å; M33-F95 HydrophobicContact SD-CE1 3.41Å; M33-F95 WeakPolarHBondContact SD-CE1 3.36Å; M33-F95 HydrophobicContact SD-CZ 4.13Å; V93-F95 HydrophobicContact CG1-CD1 4.18Å; V93-F95 HydrophobicContact CG1-CE1 3.65Å; V93-F95 HydrophobicContact CG1-CZ 4.49Å; F95-Y97 HydrophobicContact CB-CE2 4.49Å; F95-L113 HydrophobicContact CE2-CB 4.26Å; F95-L113 HydrophobicContact CZ-CB 3.91Å; F95-L113 HydrophobicContact CZ-CD1 4.18Å; F95-V131 HydrophobicContact CD2-CG2 4.11Å; F95-V131 HydrophobicContact CE2-CG2 4.41Å; F95-L141 WeakPolarHBondContact O-CA 3.4Å; F95-V142 HydrophobicContact CB-CB 4.41Å; F95-V142 PolarHBondContact N-O 3.29Å; F95-V142 PolarHBondContact O-N 3.07Å; F95-F144 HydrophobicContact CD1-CE2 4.1Å; F95-F144 AromaticContact CD2-CE2 3.59Å; F95-F144 HydrophobicContact CD2-CE2 3.59Å; F95-F144 AromaticContact CD2-CZ 3.95Å; F95-F144 HydrophobicContact CD2-CZ 3.95Å; F95-F144 HydrophobicContact CE1-CE2 4.03Å; F95-F144 AromaticContact CE2-CE2 3.54Å; F95-F144 HydrophobicContact CE2-CE2 3.54Å; F95-F144 AromaticContact CE2-CZ 3.73Å; F95-F144 HydrophobicContact CE2-CZ 3.73Å; F95-F144 AromaticContact CG-CE2 3.86Å; F95-F144 HydrophobicContact CG-CE2 3.86Å; F95-F144 AromaticContact CZ-CE2 3.76Å; F95-F144 HydrophobicContact CZ-CE2 3.76Å; F95-F144 HydrophobicContact CZ-CZ 4.24Å
96	Y	90.4	Very high	83.5	Confident	90 Å²	90	65.7 Å²	65.7	35%	0.353	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122.6	172.7	-176.6	-115.9	0	0	0	109.6	M83 T84 D98 L141	M83-Y96 CarbonylContact C-O 3.53Å; M83-Y96 WeakPolarHBondContact CA-O 3.36Å; M83-Y96 WeakPolarHBondContact CB-O 3.18Å; T84-Y96 PolarHBondContact N-O 2.96Å; T84-Y96 PolarHBondContact O-N 2.82Å; Y96-D98 HydrophobicContact CD1-CB 4.37Å; Y96-D98 WeakPolarHBondContact CD1-OD1 2.96Å; Y96-D98 HydrophobicContact CE1-CB 4.22Å; Y96-D98 WeakPolarHBondContact CE1-OD1 2.97Å; Y96-D98 PolarHBondContact O-N 3.33Å; Y96-L141 HydrophobicContact CD2-CB 4.28Å; Y96-L141 HydrophobicContact CD2-CD1 4.16Å; Y96-L141 HydrophobicContact CG-CD1 4.5Å
97	Y	90.2	Very high	83.1	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	86	177.5	-63.1	-81.4	0	0	0	109.3	M35 M83 F95 K99 I100 S111 V131 I136 K137 S138 G139 T140 V142	M35-Y97 HydrophobicContact CE-CD1 4.44Å; M35-Y97 HydrophobicContact CE-CE1 4.23Å; M35-Y97 HydrophobicContact SD-CE1 4Å; M83-Y97 HydrophobicContact CB-CD1 4.45Å; M83-Y97 HydrophobicContact CE-CD1 3.75Å; M83-Y97 HydrophobicContact CE-CE1 3.36Å; F95-Y97 HydrophobicContact CB-CE2 4.49Å; Y97-K99 PolarHBondContact O-N 3.4Å; Y97-I100 HydrophobicContact CD1-CD1 4.03Å; Y97-I100 HydrophobicContact CD1-CG1 4.07Å; Y97-I100 HydrophobicContact CG-CG1 4.36Å; Y97-S111 WeakPolarHBondContact OH-CB 3.31Å; Y97-S111 PolarHBondContact OH-OG 2.88Å; Y97-V131 HydrophobicContact CE2-CG1 4.49Å; Y97-I136 HydrophobicContact CD1-CG2 4Å; Y97-I136 HydrophobicContact CE1-CB 4.25Å; Y97-I136 HydrophobicContact CE1-CG1 4.23Å; Y97-I136 HydrophobicContact CE1-CG2 3.67Å; Y97-K137 WeakPolarHBondContact CB-O 3.41Å; Y97-S138 CarbonylContact O-C 3.55Å; Y97-S138 VanDerWaalsContact O-CA 3.31Å; Y97-S138 WeakPolarHBondContact O-CA 3.21Å; Y97-G139 PolarHBondContact O-N 3.15Å; Y97-T140 WeakPolarHBondContact CD2-O 3.41Å; Y97-T140 PolarHBondContact N-O 3.17Å; Y97-V142 HydrophobicContact CE2-CB 4.38Å; Y97-V142 HydrophobicContact CE2-CG2 3.83Å
98	D	90.7	Very high	82.8	Confident	48 Å²	48	65.9 Å²	65.9	26%	0.257	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	-50.4	-176.9	-62	-94.8	0	0	0	112.6	T82 M83 T84 Y96	T82-D98 HydrophobicContact CG2-CB 3.9Å; T82-D98 PolarHBondContact O-N 3.03Å; T82-D98 VanDerWaalsContact O-N 3.07Å; M83-D98 VanDerWaalsContact CA-OD2 3.26Å; M83-D98 WeakPolarHBondContact CA-OD2 3.46Å; T84-D98 WeakPolarHBondContact CB-OD2 3.41Å; T84-D98 PolarHBondContact N-OD2 3.23Å; T84-D98 PolarHBondContact OG1-OD1 2.8Å; T84-D98 PolarHBondContact OG1-OD2 3.21Å; Y96-D98 HydrophobicContact CD1-CB 4.37Å; Y96-D98 WeakPolarHBondContact CD1-OD1 2.96Å; Y96-D98 HydrophobicContact CE1-CB 4.22Å; Y96-D98 WeakPolarHBondContact CE1-OD1 2.97Å; Y96-D98 PolarHBondContact O-N 3.33Å
99	K	91.8	Very high	82.6	Confident	109 Å²	109	64 Å²	64	47%	0.474	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	109.4	-176.4	-177.2	-175.2	175.1	-170.1	0	110	A81 T82 Y97	A81-K99 CarbonylContact C-O 3.57Å; A81-K99 WeakPolarHBondContact CA-O 3.42Å; T82-K99 PolarHBondContact N-O 2.97Å; T82-K99 PolarHBondContact O-N 2.92Å; Y97-K99 PolarHBondContact O-N 3.4Å
100	I	89.5	Confident	82.7	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.015	28%	0.284	C	S	.	.			trans	-118.8	98.3	171.8	-53	-61.4	0	0	0	107.7	M35 A81 Y97 L104 L109 S138	M35-I100 HydrophobicContact CE-CD1 3.84Å; A81-I100 HydrophobicContact CB-CD1 3.88Å; Y97-I100 HydrophobicContact CD1-CD1 4.03Å; Y97-I100 HydrophobicContact CD1-CG1 4.07Å; Y97-I100 HydrophobicContact CG-CG1 4.36Å; I100-L104 HydrophobicContact CG2-CD1 4.29Å; I100-L109 HydrophobicContact CG2-CD1 3.65Å; I100-S138 PolarHBondContact N-OG 3.31Å; I100-S138 PolarHBondContact O-OG 3.11Å
101	P	88.9	Confident	83	Confident	28 Å²	28	54.8 Å²	54.8	18%	0.182	26%	0.255	C	S	.	.			trans	-60.5	142	-179	-26.1	35.8	0	0	0	112.4	V79 E80 K103 L104	V79-P101 HydrophobicContact CG1-CB 3.66Å; V79-P101 HydrophobicContact CG1-CG 3.63Å; E80-P101 VanDerWaalsContact O-CD 3.28Å; E80-P101 WeakPolarHBondContact O-CD 3.23Å; E80-P101 WeakPolarHBondContact O-CG 3.36Å; P101-K103 PolarHBondContact O-N 2.74Å; P101-L104 WeakPolarHBondContact O-CB 3.44Å; P101-L104 PolarHBondContact O-N 3.02Å
102	K	85.6	Confident	83.5	Confident	153 Å²	153	53.7 Å²	53.7	67%	0.665	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-57.3	-25.7	178.3	-60.8	-171.9	178.3	178.2	0	113.9	L104 W105	K102-L104 PolarHBondContact O-N 3.12Å; K102-W105 HydrophobicContact CB-CD2 4.1Å; K102-W105 HydrophobicContact CB-CE3 4.17Å; K102-W105 HydrophobicContact CB-CH2 4.49Å; K102-W105 HydrophobicContact CB-CZ2 4.4Å; K102-W105 HydrophobicContact CB-CZ3 4.37Å; K102-W105 HydrophobicContact CD-CH2 3.9Å; K102-W105 HydrophobicContact CD-CZ2 4.38Å; K102-W105 HydrophobicContact CD-CZ3 4.04Å; K102-W105 HydrophobicContact CG-CD2 4.34Å; K102-W105 HydrophobicContact CG-CE3 4.33Å; K102-W105 HydrophobicContact CG-CH2 3.77Å; K102-W105 HydrophobicContact CG-CZ2 3.74Å; K102-W105 HydrophobicContact CG-CZ3 4.06Å; K102-W105 VanDerWaalsContact O-CB 3.31Å; K102-W105 WeakPolarHBondContact O-CB 3.44Å; K102-W105 VanDerWaalsContact O-CG 3.31Å; K102-W105 PolarHBondContact O-N 3.33Å
103	K	82.2	Confident	83.5	Confident	134 Å²	134	51.7 Å²	51.7	58%	0.583	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-57.3	-31.1	173.9	-69.4	-175.4	179.9	-178.1	0	111.9	V79 P101 W105	V79-K103 HydrophobicContact CG1-CB 4.39Å; V79-K103 HydrophobicContact CG2-CB 4.19Å; V79-K103 HydrophobicContact CG2-CD 3.97Å; P101-K103 PolarHBondContact O-N 2.74Å; K103-W105 PolarHBondContact O-N 2.89Å
104	L	78.6	Confident	83	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-74.2	-10.9	178	-59.4	-178.2	0	0	0	113.4	I72 V74 V79 A81 I100 P101 K102 K106 V107 L109	I72-L104 HydrophobicContact CB-CD2 3.98Å; I72-L104 HydrophobicContact CD1-CD1 4.06Å; I72-L104 HydrophobicContact CD1-CD2 4.01Å; I72-L104 HydrophobicContact CG2-CD2 4.18Å; V74-L104 HydrophobicContact CG2-CD2 3.67Å; V79-L104 HydrophobicContact CB-CD2 3.89Å; V79-L104 HydrophobicContact CG1-CD1 4.34Å; V79-L104 HydrophobicContact CG1-CD2 3.69Å; V79-L104 HydrophobicContact CG1-CG 3.79Å; A81-L104 HydrophobicContact CB-CD1 3.62Å; I100-L104 HydrophobicContact CG2-CD1 4.29Å; P101-L104 WeakPolarHBondContact O-CB 3.44Å; P101-L104 PolarHBondContact O-N 3.02Å; K102-L104 PolarHBondContact O-N 3.12Å; L104-K106 PolarHBondContact O-N 3.03Å; L104-V107 HydrophobicContact CB-CG2 4.07Å; L104-V107 HydrophobicContact CD2-CG2 4.08Å; L104-V107 CarbonylContact O-C 3.52Å; L104-V107 WeakPolarHBondContact O-CG2 3.38Å; L104-V107 PolarHBondContact O-N 2.76Å; L104-L109 HydrophobicContact CB-CD1 3.98Å; L104-L109 HydrophobicContact CB-CG 4.48Å; L104-L109 HydrophobicContact CD1-CD1 4.37Å
105	W	76.4	Confident	82.1	Confident	152 Å²	152	52.4 Å²	52.4	58%	0.576	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-69.1	-12.6	176.6	-58.6	-11.6	0	0	0	113	K102 K103	K102-W105 HydrophobicContact CB-CD2 4.1Å; K102-W105 HydrophobicContact CB-CE3 4.17Å; K102-W105 HydrophobicContact CB-CH2 4.49Å; K102-W105 HydrophobicContact CB-CZ2 4.4Å; K102-W105 HydrophobicContact CB-CZ3 4.37Å; K102-W105 HydrophobicContact CD-CH2 3.9Å; K102-W105 HydrophobicContact CD-CZ2 4.38Å; K102-W105 HydrophobicContact CD-CZ3 4.04Å; K102-W105 HydrophobicContact CG-CD2 4.34Å; K102-W105 HydrophobicContact CG-CE3 4.33Å; K102-W105 HydrophobicContact CG-CH2 3.77Å; K102-W105 HydrophobicContact CG-CZ2 3.74Å; K102-W105 HydrophobicContact CG-CZ3 4.06Å; K102-W105 VanDerWaalsContact O-CB 3.31Å; K102-W105 WeakPolarHBondContact O-CB 3.44Å; K102-W105 VanDerWaalsContact O-CG 3.31Å; K102-W105 PolarHBondContact O-N 3.33Å; K103-W105 PolarHBondContact O-N 2.89Å
106	K	72.6	Confident	81.1	Confident	176 Å²	176	53 Å²	53	77%	0.765	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-83.8	-13.5	172	-63	-172.4	177.8	-172.4	0	112.9	L104	L104-K106 PolarHBondContact O-N 3.03Å
107	V	74.3	Confident	80	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.03	22%	0.221	C	C	.	.	S	Bend	trans	-107	142.2	173.5	-59.6	0	0	0	0	108.5	T39 V74 L104 L109	T39-V107 HydrophobicContact CG2-CG1 4.02Å; V74-V107 HydrophobicContact CG1-CG1 4.36Å; V74-V107 HydrophobicContact CG2-CG1 3.9Å; L104-V107 HydrophobicContact CB-CG2 4.07Å; L104-V107 HydrophobicContact CD2-CG2 4.08Å; L104-V107 CarbonylContact O-C 3.52Å; L104-V107 WeakPolarHBondContact O-CG2 3.38Å; L104-V107 PolarHBondContact O-N 2.76Å; V107-L109 HydrophobicContact CG2-CD2 4.05Å; V107-L109 HydrophobicContact CG2-CG 4.4Å; V107-L109 PolarHBondContact O-N 3.15Å; V107-L109 VanDerWaalsContact O-N 3.14Å
108	K	77.5	Confident	78.6	Confident	104 Å²	104	52.4 Å²	52.4	45%	0.452	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	110.8	177.7	179.3	179.3	-176.4	-178.3	0	108.1	G37 L38 I110	G37-K108 WeakPolarHBondContact CA-O 3.13Å; L38-K108 HydrophobicContact CB-CB 4.19Å; L38-K108 HydrophobicContact CD1-CD 4.29Å; L38-K108 PolarHBondContact N-O 3.14Å; L38-K108 PolarHBondContact O-N 2.94Å; K108-I110 HydrophobicContact CG-CG1 4.48Å
109	L	77.9	Confident	77.4	Confident	8 Å²	8	50.5 Å²	50.5	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.3	175	-65.3	177.4	0	0	0	109.6	M35 E36 I72 I100 L104 V107 I136	M35-L109 HydrophobicContact CE-CD1 4.32Å; M35-L109 HydrophobicContact CE-CD2 4.49Å; E36-L109 CarbonylContact O-C 3.54Å; E36-L109 WeakPolarHBondContact O-CA 3.2Å; I72-L109 HydrophobicContact CD1-CD2 3.97Å; I100-L109 HydrophobicContact CG2-CD1 3.65Å; L104-L109 HydrophobicContact CB-CD1 3.98Å; L104-L109 HydrophobicContact CB-CG 4.48Å; L104-L109 HydrophobicContact CD1-CD1 4.37Å; V107-L109 HydrophobicContact CG2-CD2 4.05Å; V107-L109 HydrophobicContact CG2-CG 4.4Å; V107-L109 PolarHBondContact O-N 3.15Å; V107-L109 VanDerWaalsContact O-N 3.14Å; L109-I136 HydrophobicContact CB-CD1 4.33Å; L109-I136 HydrophobicContact CB-CG2 4.03Å; L109-I136 HydrophobicContact CD1-CG2 3.81Å; L109-I136 WeakPolarHBondContact O-CD1 3.47Å
110	I	81.1	Confident	76.2	Confident	27 Å²	27	51.9 Å²	51.9	14%	0.138	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119	173.8	-60.7	178.2	0	0	0	107.7	M35 E36 L38 K108 K112	M35-I110 CarbonylContact C-O 3.49Å; M35-I110 WeakPolarHBondContact CA-O 3.49Å; E36-I110 HydrophobicContact CB-CB 4.25Å; E36-I110 PolarHBondContact N-O 3.06Å; E36-I110 PolarHBondContact O-N 2.86Å; L38-I110 HydrophobicContact CD1-CD1 3.42Å; L38-I110 VanDerWaalsContact CD1-CD1 3.42Å; L38-I110 HydrophobicContact CD1-CG1 4.29Å; K108-I110 HydrophobicContact CG-CG1 4.48Å; I110-K112 HydrophobicContact CG2-CD 4.37Å; I110-K112 HydrophobicContact CG2-CG 4.49Å
111	S	83.4	Confident	75.4	Confident	2 Å²	2	57 Å²	57	1%	0.014	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.2	164	-171.9	0	0	0	0	109.2	N34 Y97 V131	N34-S111 WeakPolarHBondContact O-CA 3.46Å; Y97-S111 WeakPolarHBondContact OH-CB 3.31Å; Y97-S111 PolarHBondContact OH-OG 2.88Å; S111-V131 PolarHBondContact O-N 3.31Å
112	K	81.7	Confident	74.5	Confident	26 Å²	26	58.4 Å²	58.4	11%	0.113	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	142.2	179.4	58.1	-174.4	178.2	-161.4	0	112	N34 E36 I110 T114 I129	N34-K112 HydrophobicContact CB-CG 4.45Å; N34-K112 PolarHBondContact O-N 2.82Å; E36-K112 VanDerWaalsContact OE1-CE 3.29Å; E36-K112 WeakPolarHBondContact OE1-CE 3.34Å; E36-K112 IonicContact OE1-NZ 3.86Å; E36-K112 PolarHBondContact OE1-NZ 2.85Å; E36-K112 IonicContact OE2-NZ 2.71Å; I110-K112 HydrophobicContact CG2-CD 4.37Å; I110-K112 HydrophobicContact CG2-CG 4.49Å; K112-T114 HydrophobicContact CB-CG2 4.35Å; K112-T114 HydrophobicContact CD-CG2 3.86Å; K112-T114 HydrophobicContact CG-CG2 3.86Å; K112-I129 CarbonylContact C-O 3.52Å; K112-I129 VanDerWaalsContact CA-O 3.23Å; K112-I129 WeakPolarHBondContact CA-O 3.37Å
113	L	80.2	Confident	73.7	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	112.8	164.5	171.9	63.4	0	0	0	107.7	M31 V93 F95 F127 A128 I129 F144	M31-L113 HydrophobicContact CE-CD1 4.02Å; M31-L113 HydrophobicContact CG-CD1 3.23Å; M31-L113 HydrophobicContact SD-CD1 3.34Å; M31-L113 WeakPolarHBondContact SD-CD1 3.35Å; V93-L113 HydrophobicContact CG1-CD1 4.25Å; F95-L113 HydrophobicContact CE2-CB 4.26Å; F95-L113 HydrophobicContact CZ-CB 3.91Å; F95-L113 HydrophobicContact CZ-CD1 4.18Å; L113-F127 HydrophobicContact CG-CE2 4.42Å; L113-A128 CarbonylContact O-C 3.59Å; L113-A128 WeakPolarHBondContact O-CA 3.04Å; L113-I129 HydrophobicContact CB-CB 4.32Å; L113-I129 HydrophobicContact CD2-CD1 4.18Å; L113-I129 PolarHBondContact N-O 3.22Å; L113-I129 PolarHBondContact O-N 3.11Å; L113-F144 HydrophobicContact CB-CD1 4.21Å; L113-F144 HydrophobicContact CB-CD2 4.49Å; L113-F144 HydrophobicContact CB-CE1 3.86Å; L113-F144 HydrophobicContact CB-CE2 4.18Å; L113-F144 HydrophobicContact CB-CZ 3.83Å; L113-F144 HydrophobicContact CD2-CB 3.7Å; L113-F144 HydrophobicContact CD2-CD1 3.58Å; L113-F144 HydrophobicContact CD2-CD2 3.88Å; L113-F144 HydrophobicContact CD2-CE1 4.13Å; L113-F144 HydrophobicContact CD2-CE2 4.4Å; L113-F144 HydrophobicContact CD2-CG 3.44Å; L113-F144 VanDerWaalsContact CD2-CG 3.44Å; L113-F144 HydrophobicContact CD2-CZ 4.5Å
114	T	74.2	Confident	73.1	Confident	23 Å²	23	53 Å²	53	14%	0.141	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	149.9	175.6	65.7	0	0	0	0	111	M31 Y32 K112 F127 A128	M31-T114 VanDerWaalsContact CA-O 3.31Å; M31-T114 WeakPolarHBondContact CA-O 3.05Å; Y32-T114 WeakPolarHBondContact CB-OG1 3.49Å; Y32-T114 PolarHBondContact N-O 3Å; Y32-T114 PolarHBondContact O-N 2.77Å; Y32-T114 VanDerWaalsContact O-N 3.11Å; Y32-T114 PolarHBondContact O-OG1 2.92Å; K112-T114 HydrophobicContact CB-CG2 4.35Å; K112-T114 HydrophobicContact CD-CG2 3.86Å; K112-T114 HydrophobicContact CG-CG2 3.86Å; T114-F127 CarbonylContact C-O 3.53Å; T114-F127 WeakPolarHBondContact CA-O 3.29Å; T114-F127 WeakPolarHBondContact CB-O 3.07Å; T114-A128 HydrophobicContact CG2-CB 3.77Å
115	G	69.1	Low	72.5	Confident	6 Å²	6	56.7 Å²	56.7	6%	0.062	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	173	175.2	0	0	0	0	0	113.5	M30 F126 F127	M30-G115 WeakPolarHBondContact O-CA 3.43Å; G115-F126 WeakPolarHBondContact O-CA 3.33Å; G115-F127 VanDerWaalsContact CA-CE1 3.4Å; G115-F127 PolarHBondContact N-O 2.78Å; G115-F127 WeakPolarHBondContact O-CD1 3.42Å; G115-F127 PolarHBondContact O-N 2.81Å
116	I	67.1	Low	72.1	Confident	14 Å²	14	54.2 Å²	54.2	7%	0.072	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.7	176.4	-50.4	178.7	0	0	0	108.9	Q29 M30 Q124 K125 F126	Q29-I116 WeakPolarHBondContact O-CB 3.32Å; Q29-I116 PolarHBondContact O-N 2.81Å; M30-I116 HydrophobicContact CB-CD1 4.48Å; M30-I116 HydrophobicContact CE-CD1 3.98Å; I116-Q124 HydrophobicContact CG2-CB 3.89Å; I116-Q124 HydrophobicContact CG2-CG 4.22Å; I116-K125 WeakPolarHBondContact CA-O 3.35Å; I116-F126 HydrophobicContact CD1-CD1 4.13Å; I116-F126 HydrophobicContact CD1-CE1 3.42Å; I116-F126 VanDerWaalsContact CD1-CE1 3.42Å; I116-F126 HydrophobicContact CD1-CZ 3.97Å; I116-F126 HydrophobicContact CG1-CD1 3.67Å; I116-F126 HydrophobicContact CG1-CE1 3.51Å; I116-F126 HydrophobicContact CG1-CZ 4.3Å
117	I	66.3	Low	72.1	Confident	8 Å²	8	47.1 Å²	47.1	4%	0.041	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.5	172.5	-60.3	170	0	0	0	107.7	C23 I27 Q124 K125 F127	C23-I117 HydrophobicContact CB-CG2 3.73Å; C23-I117 WeakPolarHBondContact O-CG2 2.97Å; I27-I117 HydrophobicContact CG1-CG1 4.31Å; I27-I117 HydrophobicContact CG1-CG2 4.01Å; I117-Q124 WeakPolarHBondContact O-CA 3.49Å; I117-K125 PolarHBondContact N-O 3.1Å; I117-K125 PolarHBondContact O-N 2.85Å; I117-F127 HydrophobicContact CD1-CD1 3.68Å; I117-F127 HydrophobicContact CD1-CE1 4.04Å; I117-F127 HydrophobicContact CG1-CD1 3.7Å; I117-F127 HydrophobicContact CG1-CE1 3.76Å
118	K	62.2	Low	72	Confident	69 Å²	69	47.9 Å²	47.9	30%	0.3	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	125.7	171.8	-69.5	-173.5	176.8	179.6	0	109.8	K26 Q124	K26-K118 HydrophobicContact CB-CB 4.11Å; K26-K118 PolarHBondContact O-N 3.26Å; K118-Q124 HydrophobicContact CG-CG 4.25Å
119	C	65.2	Low	72	Confident	9 Å²	9	43.1 Å²	43.1	6%	0.061	23%	0.228	C	C	.	.			trans	-93.6	161.6	176.8	-46.1	0	0	0	0	110.8	C23 D121 G122 L123	C23-C119 HydrophobicContact CB-CB 3.85Å; C23-C119 WeakPolarHBondContact CB-SG 3.47Å; C23-C119 WeakPolarHBondContact SG-CB 3.38Å; C23-C119 CovalentContact SG-SG 2.02Å; C23-C119 PolarHBondContact SG-SG 3.05Å; C119-D121 WeakPolarHBondContact CB-OD1 3.41Å; C119-D121 PolarHBondContact O-N 3.47Å; C119-G122 PolarHBondContact O-N 2.77Å; C119-L123 HydrophobicContact CB-CB 4.14Å; C119-L123 WeakPolarHBondContact CB-O 3.28Å; C119-L123 PolarHBondContact N-O 2.8Å; C119-L123 PolarHBondContact SG-O 2.91Å; C119-L123 VanDerWaalsContact SG-O 3.36Å
120	E	66.8	Low	72.2	Confident	137 Å²	137	46.8 Å²	46.8	64%	0.64	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-30	-174.7	-65.1	-173.7	155.5	0	0	113.4	L22 T25 G122	L22-E120 PolarHBondContact O-N 3.47Å; T25-E120 VanDerWaalsContact OG1-CD 3.22Å; T25-E120 WeakPolarHBondContact OG1-CG 3.39Å; T25-E120 PolarHBondContact OG1-OE1 3.18Å; E120-G122 PolarHBondContact O-N 2.97Å
121	D	72.5	Confident	72.3	Confident	111 Å²	111	45.9 Å²	45.9	59%	0.594	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	3.2	174.3	60.7	-5.4	0	0	0	113.5	C119 L123	C119-D121 WeakPolarHBondContact CB-OD1 3.41Å; C119-D121 PolarHBondContact O-N 3.47Å; D121-L123 PolarHBondContact O-N 2.84Å; D121-L123 WeakPolarHBondContact OD1-CB 3.43Å; D121-L123 PolarHBondContact OD1-N 2.76Å
122	G	69.4	Low	72.4	Confident	58 Å²	58	47.6 Å²	47.6	60%	0.598	25%	0.252	S	S	*	.	S	Bend	trans	79.3	-1.3	-174.4	0	0	0	0	0	113.8	C119 E120	C119-G122 PolarHBondContact O-N 2.77Å; E120-G122 PolarHBondContact O-N 2.97Å
123	L	69.7	Low	72.4	Confident	85 Å²	85	51.3 Å²	51.3	45%	0.445	27%	0.269	S	S	.	.			trans	-65.4	136.8	175.5	-171.8	68.5	0	0	0	109.6	C119 D121 K125	C119-L123 HydrophobicContact CB-CB 4.14Å; C119-L123 WeakPolarHBondContact CB-O 3.28Å; C119-L123 PolarHBondContact N-O 2.8Å; C119-L123 PolarHBondContact SG-O 2.91Å; C119-L123 VanDerWaalsContact SG-O 3.36Å; D121-L123 PolarHBondContact O-N 2.84Å; D121-L123 WeakPolarHBondContact OD1-CB 3.43Å; D121-L123 PolarHBondContact OD1-N 2.76Å; L123-K125 VanDerWaalsContact CD2-CE 3.48Å; L123-K125 HydrophobicContact CD2-CG 4.35Å; L123-K125 HydrophobicContact CG-CG 4.49Å
124	Q	68.3	Low	72.6	Confident	88 Å²	88	57.8 Å²	57.8	41%	0.411	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.6	173.4	-69	-178.1	60.1	0	0	108.7	I116 I117 K118	I116-Q124 HydrophobicContact CG2-CB 3.89Å; I116-Q124 HydrophobicContact CG2-CG 4.22Å; I117-Q124 WeakPolarHBondContact O-CA 3.49Å; K118-Q124 HydrophobicContact CG-CG 4.25Å
125	K	66.5	Low	73.2	Confident	78 Å²	78	57.3 Å²	57.3	34%	0.339	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.4	175.2	-66.3	-169.3	-176.7	-173.2	0	110	T20 I116 I117 L123	T20-K125 HydrophobicContact CG2-CD 3.71Å; I116-K125 WeakPolarHBondContact CA-O 3.35Å; I117-K125 PolarHBondContact N-O 3.1Å; I117-K125 PolarHBondContact O-N 2.85Å; L123-K125 VanDerWaalsContact CD2-CE 3.48Å; L123-K125 HydrophobicContact CD2-CG 4.35Å; L123-K125 HydrophobicContact CG-CG 4.49Å
126	F	69.1	Low	74.1	Confident	100 Å²	100	57.3 Å²	57.3	44%	0.439	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	141.3	170.8	-63.9	-91.9	0	0	0	109.3	G115 I116	G115-F126 WeakPolarHBondContact O-CA 3.33Å; I116-F126 HydrophobicContact CD1-CD1 4.13Å; I116-F126 HydrophobicContact CD1-CE1 3.42Å; I116-F126 VanDerWaalsContact CD1-CE1 3.42Å; I116-F126 HydrophobicContact CD1-CZ 3.97Å; I116-F126 HydrophobicContact CG1-CD1 3.67Å; I116-F126 HydrophobicContact CG1-CE1 3.51Å; I116-F126 HydrophobicContact CG1-CZ 4.3Å
127	F	71.7	Confident	75.2	Confident	27 Å²	27	61.4 Å²	61.4	12%	0.118	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	152.1	168.7	69.2	-90.1	0	0	0	109.9	Y3 L113 T114 G115 I117 I129	Y3-F127 HydrophobicContact CE2-CD2 4.45Å; Y3-F127 HydrophobicContact CE2-CE2 4.27Å; Y3-F127 AromaticContact CZ-CZ 3.99Å; Y3-F127 WeakPolarHBondContact OH-CZ 3.42Å; L113-F127 HydrophobicContact CG-CE2 4.42Å; T114-F127 CarbonylContact C-O 3.53Å; T114-F127 WeakPolarHBondContact CA-O 3.29Å; T114-F127 WeakPolarHBondContact CB-O 3.07Å; G115-F127 VanDerWaalsContact CA-CE1 3.4Å; G115-F127 PolarHBondContact N-O 2.78Å; G115-F127 WeakPolarHBondContact O-CD1 3.42Å; G115-F127 PolarHBondContact O-N 2.81Å; I117-F127 HydrophobicContact CD1-CD1 3.68Å; I117-F127 HydrophobicContact CD1-CE1 4.04Å; I117-F127 HydrophobicContact CG1-CD1 3.7Å; I117-F127 HydrophobicContact CG1-CE1 3.76Å; F127-I129 HydrophobicContact CD2-CD1 4.04Å; F127-I129 HydrophobicContact CD2-CG1 4.13Å; F127-I129 HydrophobicContact CE2-CD1 4Å
128	A	72.6	Confident	76.4	Confident	21 Å²	21	64 Å²	64	17%	0.174	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.5	170.8	0	0	0	0	0	108.7	L113 T114 I183	L113-A128 CarbonylContact O-C 3.59Å; L113-A128 WeakPolarHBondContact O-CA 3.04Å; T114-A128 HydrophobicContact CG2-CB 3.77Å; A128-I183 HydrophobicContact CB-CG2 4.48Å; A128-I183 WeakPolarHBondContact O-CG2 3.3Å
129	I	77.2	Confident	77.8	Confident	3 Å²	3	63 Å²	63	2%	0.015	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	110.7	174.5	-59.5	160.7	0	0	0	106.6	Y3 V16 K112 L113 F127 F144	Y3-I129 HydrophobicContact CD1-CD1 4.01Å; Y3-I129 HydrophobicContact CD2-CD1 3.43Å; Y3-I129 VanDerWaalsContact CD2-CD1 3.43Å; Y3-I129 HydrophobicContact CE2-CD1 4.02Å; Y3-I129 HydrophobicContact CG-CD1 3.39Å; V16-I129 HydrophobicContact CG2-CG2 4.07Å; K112-I129 CarbonylContact C-O 3.52Å; K112-I129 VanDerWaalsContact CA-O 3.23Å; K112-I129 WeakPolarHBondContact CA-O 3.37Å; L113-I129 HydrophobicContact CB-CB 4.32Å; L113-I129 HydrophobicContact CD2-CD1 4.18Å; L113-I129 PolarHBondContact N-O 3.22Å; L113-I129 PolarHBondContact O-N 3.11Å; F127-I129 HydrophobicContact CD2-CD1 4.04Å; F127-I129 HydrophobicContact CD2-CG1 4.13Å; F127-I129 HydrophobicContact CE2-CD1 4Å; I129-F144 HydrophobicContact CB-CE1 4.23Å; I129-F144 HydrophobicContact CG2-CD1 4.1Å; I129-F144 HydrophobicContact CG2-CE1 3.7Å
130	H	81.9	Confident	79.1	Confident	86 Å²	86	63.1 Å²	63.1	40%	0.398	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	138.1	178.8	-71.1	-107.1	0	0	0	110.2	P132	H130-P132 WeakPolarHBondContact O-CD 3.37Å
131	V	83	Confident	80.2	Confident	7 Å²	7	58.8 Å²	58.8	4%	0.042	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	122.2	164.6	-176.8	0	0	0	0	107.2	F95 Y97 S111 E133 W135 I136 V142 F144	F95-V131 HydrophobicContact CD2-CG2 4.11Å; F95-V131 HydrophobicContact CE2-CG2 4.41Å; Y97-V131 HydrophobicContact CE2-CG1 4.49Å; S111-V131 PolarHBondContact O-N 3.31Å; V131-E133 PolarHBondContact O-N 2.98Å; V131-W135 HydrophobicContact CG1-CB 4.05Å; V131-W135 HydrophobicContact CG1-CE3 4.13Å; V131-I136 HydrophobicContact CG1-CG1 4.22Å; V131-V142 HydrophobicContact CG1-CG1 4.08Å; V131-V142 HydrophobicContact CG1-CG2 3.98Å; V131-V142 HydrophobicContact CG2-CG1 3.91Å; V131-F144 HydrophobicContact CG2-CE1 4.47Å; V131-F144 HydrophobicContact CG2-CZ 3.7Å
132	P	85	Confident	81	Confident	39 Å²	39	53.5 Å²	53.5	25%	0.253	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-48.4	130	171.7	-32.8	34.9	0	0	0	112.5	I14 H130 K134 W135	I14-P132 HydrophobicContact CD1-CG 3.85Å; H130-P132 WeakPolarHBondContact O-CD 3.37Å; P132-K134 HydrophobicContact CB-CG 4Å; P132-K134 PolarHBondContact O-N 3.39Å; P132-W135 HydrophobicContact CB-CD2 3.97Å; P132-W135 HydrophobicContact CB-CE3 3.72Å; P132-W135 HydrophobicContact CB-CZ3 4.05Å; P132-W135 VanDerWaalsContact CD-CZ3 3.41Å; P132-W135 HydrophobicContact CG-CD2 4.22Å; P132-W135 HydrophobicContact CG-CE3 3.53Å; P132-W135 HydrophobicContact CG-CH2 4.01Å; P132-W135 HydrophobicContact CG-CZ3 3.38Å; P132-W135 WeakPolarHBondContact O-CB 3.31Å; P132-W135 PolarHBondContact O-N 2.96Å
133	E	82.9	Confident	81.8	Confident	103 Å²	103	52.4 Å²	52.4	48%	0.481	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-53.4	-35.3	-174.3	-174.2	173.7	-177.7	0	0	113.1	V131 W135 I136	V131-E133 PolarHBondContact O-N 2.98Å; E133-W135 PolarHBondContact O-N 3.3Å; E133-I136 WeakPolarHBondContact O-CB 3.06Å; E133-I136 PolarHBondContact O-N 3.32Å
134	K	85.1	Confident	82.4	Confident	141 Å²	141	48.5 Å²	48.5	61%	0.613	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-56.3	-17.9	175.2	63	175.6	179.8	-174.3	0	115	P132	P132-K134 HydrophobicContact CB-CG 4Å; P132-K134 PolarHBondContact O-N 3.39Å
135	W	86.5	Confident	82.8	Confident	13 Å²	13	48.3 Å²	48.3	5%	0.049	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-101.6	-9.2	179.1	-58.3	-30.3	0	0	0	113.5	L5 I7 V12 I14 V131 P132 E133 K137 T140 V142	L5-W135 HydrophobicContact CD2-CE3 4.05Å; L5-W135 HydrophobicContact CD2-CH2 4.49Å; L5-W135 HydrophobicContact CD2-CZ3 3.47Å; L5-W135 VanDerWaalsContact CD2-CZ3 3.47Å; L5-W135 HydrophobicContact CG-CZ3 4.29Å; I7-W135 HydrophobicContact CD1-CD2 3.2Å; I7-W135 HydrophobicContact CD1-CE3 3.39Å; I7-W135 HydrophobicContact CD1-CG 3.86Å; I7-W135 HydrophobicContact CD1-CH2 3.29Å; I7-W135 HydrophobicContact CD1-CZ2 3.17Å; I7-W135 HydrophobicContact CD1-CZ3 3.44Å; I7-W135 VanDerWaalsContact CD1-CZ3 3.44Å; I7-W135 HydrophobicContact CG1-CE3 4.49Å; I7-W135 HydrophobicContact CG1-CH2 4.49Å; I7-W135 HydrophobicContact CG1-CZ3 4.49Å; V12-W135 HydrophobicContact CB-CZ2 4.09Å; V12-W135 HydrophobicContact CG1-CH2 3.95Å; V12-W135 HydrophobicContact CG1-CZ2 3.71Å; I14-W135 HydrophobicContact CD1-CH2 3.13Å; I14-W135 HydrophobicContact CD1-CZ2 4.15Å; I14-W135 HydrophobicContact CD1-CZ3 3.54Å; I14-W135 HydrophobicContact CG1-CH2 3.66Å; I14-W135 HydrophobicContact CG1-CZ3 4.28Å; V131-W135 HydrophobicContact CG1-CB 4.05Å; V131-W135 HydrophobicContact CG1-CE3 4.13Å; P132-W135 HydrophobicContact CB-CD2 3.97Å; P132-W135 HydrophobicContact CB-CE3 3.72Å; P132-W135 HydrophobicContact CB-CZ3 4.05Å; P132-W135 VanDerWaalsContact CD-CZ3 3.41Å; P132-W135 HydrophobicContact CG-CD2 4.22Å; P132-W135 HydrophobicContact CG-CE3 3.53Å; P132-W135 HydrophobicContact CG-CH2 4.01Å; P132-W135 HydrophobicContact CG-CZ3 3.38Å; P132-W135 WeakPolarHBondContact O-CB 3.31Å; P132-W135 PolarHBondContact O-N 2.96Å; E133-W135 PolarHBondContact O-N 3.3Å; W135-K137 PolarHBondContact O-N 3.42Å; W135-T140 HydrophobicContact CB-CG2 4.26Å; W135-T140 VanDerWaalsContact O-CB 3.29Å; W135-T140 WeakPolarHBondContact O-CB 3.33Å; W135-T140 WeakPolarHBondContact O-CG2 3.36Å; W135-T140 PolarHBondContact O-OG1 2.9Å; W135-V142 HydrophobicContact CB-CG2 4.37Å
136	I	87	Confident	83	Confident	6 Å²	6	46.9 Å²	46.9	3%	0.031	25%	0.251	C	S	.	.			trans	-81.3	70.7	177.2	-52.9	179.3	0	0	0	108.4	M35 Y97 L109 V131 E133	M35-I136 HydrophobicContact CE-CG2 3.73Å; M35-I136 HydrophobicContact SD-CG2 4.16Å; Y97-I136 HydrophobicContact CD1-CG2 4Å; Y97-I136 HydrophobicContact CE1-CB 4.25Å; Y97-I136 HydrophobicContact CE1-CG1 4.23Å; Y97-I136 HydrophobicContact CE1-CG2 3.67Å; L109-I136 HydrophobicContact CB-CD1 4.33Å; L109-I136 HydrophobicContact CB-CG2 4.03Å; L109-I136 HydrophobicContact CD1-CG2 3.81Å; L109-I136 WeakPolarHBondContact O-CD1 3.47Å; V131-I136 HydrophobicContact CG1-CG1 4.22Å; E133-I136 WeakPolarHBondContact O-CB 3.06Å; E133-I136 PolarHBondContact O-N 3.32Å
137	K	90.3	Very high	82.8	Confident	101 Å²	101	43.2 Å²	43.2	44%	0.439	24%	0.235	S	C	.	.	S	Bend	trans	-142.4	151.6	-180	67.7	-175.1	-179	-177.1	0	110.8	Y97 W135 G139 T140	Y97-K137 WeakPolarHBondContact CB-O 3.41Å; W135-K137 PolarHBondContact O-N 3.42Å; K137-G139 PolarHBondContact O-N 2.99Å; K137-T140 WeakPolarHBondContact CE-OG1 3.26Å; K137-T140 WeakPolarHBondContact CG-OG1 3.37Å; K137-T140 WeakPolarHBondContact O-CB 3.31Å; K137-T140 PolarHBondContact O-N 3.44Å; K137-T140 PolarHBondContact O-OG1 2.81Å
138	S	92.6	Very high	82.4	Confident	61 Å²	61	44.2 Å²	44.2	43%	0.427	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	136.2	-179.7	-52.3	0	0	0	0	112.6	Y97 I100 T140	Y97-S138 CarbonylContact O-C 3.55Å; Y97-S138 VanDerWaalsContact O-CA 3.31Å; Y97-S138 WeakPolarHBondContact O-CA 3.21Å; I100-S138 PolarHBondContact N-OG 3.31Å; I100-S138 PolarHBondContact O-OG 3.11Å; S138-T140 VanDerWaalsContact C-N 3.29Å; S138-T140 PolarHBondContact O-N 3.35Å
139	G	91.9	Very high	81.7	Confident	48 Å²	48	49.7 Å²	49.7	50%	0.495	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	8.5	177.6	0	0	0	0	0	114.9	Y97 K137	Y97-G139 PolarHBondContact O-N 3.15Å; K137-G139 PolarHBondContact O-N 2.99Å
140	T	91	Very high	80.8	Confident	13 Å²	13	51.3 Å²	51.3	8%	0.08	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	133.9	176.3	-50.1	0	0	0	0	110.2	I7 Y97 W135 K137 S138 V142	I7-T140 HydrophobicContact CG2-CG2 4.38Å; Y97-T140 WeakPolarHBondContact CD2-O 3.41Å; Y97-T140 PolarHBondContact N-O 3.17Å; W135-T140 HydrophobicContact CB-CG2 4.26Å; W135-T140 VanDerWaalsContact O-CB 3.29Å; W135-T140 WeakPolarHBondContact O-CB 3.33Å; W135-T140 WeakPolarHBondContact O-CG2 3.36Å; W135-T140 PolarHBondContact O-OG1 2.9Å; K137-T140 WeakPolarHBondContact CE-OG1 3.26Å; K137-T140 WeakPolarHBondContact CG-OG1 3.37Å; K137-T140 WeakPolarHBondContact O-CB 3.31Å; K137-T140 PolarHBondContact O-N 3.44Å; K137-T140 PolarHBondContact O-OG1 2.81Å; S138-T140 VanDerWaalsContact C-N 3.29Å; S138-T140 PolarHBondContact O-N 3.35Å; T140-V142 HydrophobicContact CG2-CG2 4.09Å
141	L	91.3	Very high	79.7	Confident	45 Å²	45	47.9 Å²	47.9	24%	0.236	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	133.6	169.4	-175.5	66.7	0	0	0	109	P8 F95 Y96 E143	P8-L141 WeakPolarHBondContact CD-O 3.15Å; P8-L141 HydrophobicContact CG-CB 3.92Å; P8-L141 HydrophobicContact CG-CD2 3.76Å; P8-L141 HydrophobicContact CG-CG 4.15Å; F95-L141 WeakPolarHBondContact O-CA 3.4Å; Y96-L141 HydrophobicContact CD2-CB 4.28Å; Y96-L141 HydrophobicContact CD2-CD1 4.16Å; Y96-L141 HydrophobicContact CG-CD1 4.5Å; L141-E143 HydrophobicContact CD2-CG 4.06Å; L141-E143 HydrophobicContact CG-CG 3.98Å
142	V	88.1	Confident	78.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	116.6	-179.2	172.6	0	0	0	0	107.3	L5 S94 F95 Y97 V131 W135 T140 F144	L5-V142 HydrophobicContact CD1-CB 4.41Å; L5-V142 HydrophobicContact CD1-CG1 3.1Å; L5-V142 HydrophobicContact CD2-CG1 3.95Å; L5-V142 HydrophobicContact CG-CG1 3.76Å; S94-V142 CarbonylContact C-O 3.55Å; S94-V142 WeakPolarHBondContact CA-O 3.36Å; F95-V142 HydrophobicContact CB-CB 4.41Å; F95-V142 PolarHBondContact N-O 3.29Å; F95-V142 PolarHBondContact O-N 3.07Å; Y97-V142 HydrophobicContact CE2-CB 4.38Å; Y97-V142 HydrophobicContact CE2-CG2 3.83Å; V131-V142 HydrophobicContact CG1-CG1 4.08Å; V131-V142 HydrophobicContact CG1-CG2 3.98Å; V131-V142 HydrophobicContact CG2-CG1 3.91Å; W135-V142 HydrophobicContact CB-CG2 4.37Å; T140-V142 HydrophobicContact CG2-CG2 4.09Å; V142-F144 HydrophobicContact CG1-CE2 4.06Å; V142-F144 HydrophobicContact CG1-CZ 4Å
143	E	86.3	Confident	77.5	Confident	35 Å²	35	56.1 Å²	56.1	16%	0.164	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.2	-174	-58.6	-171.6	105	0	0	111.4	L5 F6 K92 V93 L141	L5-E143 CarbonylContact C-O 3.5Å; L5-E143 WeakPolarHBondContact CA-O 3.31Å; L5-E143 WeakPolarHBondContact CD1-O 3.36Å; F6-E143 HydrophobicContact CB-CB 4.3Å; F6-E143 PolarHBondContact N-O 3.44Å; F6-E143 PolarHBondContact O-N 3.41Å; K92-E143 HydrophobicContact CD-CB 4.44Å; K92-E143 WeakPolarHBondContact CE-OE1 3.39Å; K92-E143 IonicContact NZ-OE1 2.63Å; K92-E143 PolarHBondContact NZ-OE1 2.6Å; V93-E143 CarbonylContact O-C 3.55Å; V93-E143 WeakPolarHBondContact O-CA 3.29Å; L141-E143 HydrophobicContact CD2-CG 4.06Å; L141-E143 HydrophobicContact CG-CG 3.98Å
144	F	82.1	Confident	76.5	Confident	3 Å²	3	54.7 Å²	54.7	1%	0.013	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	123.1	172.5	-49.6	-96.1	0	0	0	109.1	L5 V93 F95 L113 I129 V131 V142	L5-F144 HydrophobicContact CD1-CD1 3.54Å; L5-F144 HydrophobicContact CD1-CD2 4.26Å; L5-F144 HydrophobicContact CD1-CE1 3.5Å; L5-F144 VanDerWaalsContact CD1-CE1 3.5Å; L5-F144 HydrophobicContact CD1-CE2 4.22Å; L5-F144 HydrophobicContact CD1-CG 3.94Å; L5-F144 HydrophobicContact CD1-CZ 3.86Å; V93-F144 HydrophobicContact CB-CB 4.25Å; V93-F144 HydrophobicContact CB-CD2 4.21Å; V93-F144 HydrophobicContact CG1-CD2 4.08Å; V93-F144 PolarHBondContact N-O 2.92Å; V93-F144 PolarHBondContact O-N 2.68Å; F95-F144 HydrophobicContact CD1-CE2 4.1Å; F95-F144 AromaticContact CD2-CE2 3.59Å; F95-F144 HydrophobicContact CD2-CE2 3.59Å; F95-F144 AromaticContact CD2-CZ 3.95Å; F95-F144 HydrophobicContact CD2-CZ 3.95Å; F95-F144 HydrophobicContact CE1-CE2 4.03Å; F95-F144 AromaticContact CE2-CE2 3.54Å; F95-F144 HydrophobicContact CE2-CE2 3.54Å; F95-F144 AromaticContact CE2-CZ 3.73Å; F95-F144 HydrophobicContact CE2-CZ 3.73Å; F95-F144 AromaticContact CG-CE2 3.86Å; F95-F144 HydrophobicContact CG-CE2 3.86Å; F95-F144 AromaticContact CZ-CE2 3.76Å; F95-F144 HydrophobicContact CZ-CE2 3.76Å; F95-F144 HydrophobicContact CZ-CZ 4.24Å; L113-F144 HydrophobicContact CB-CD1 4.21Å; L113-F144 HydrophobicContact CB-CD2 4.49Å; L113-F144 HydrophobicContact CB-CE1 3.86Å; L113-F144 HydrophobicContact CB-CE2 4.18Å; L113-F144 HydrophobicContact CB-CZ 3.83Å; L113-F144 HydrophobicContact CD2-CB 3.7Å; L113-F144 HydrophobicContact CD2-CD1 3.58Å; L113-F144 HydrophobicContact CD2-CD2 3.88Å; L113-F144 HydrophobicContact CD2-CE1 4.13Å; L113-F144 HydrophobicContact CD2-CE2 4.4Å; L113-F144 HydrophobicContact CD2-CG 3.44Å; L113-F144 VanDerWaalsContact CD2-CG 3.44Å; L113-F144 HydrophobicContact CD2-CZ 4.5Å; I129-F144 HydrophobicContact CB-CE1 4.23Å; I129-F144 HydrophobicContact CG2-CD1 4.1Å; I129-F144 HydrophobicContact CG2-CE1 3.7Å; V131-F144 HydrophobicContact CG2-CE1 4.47Å; V131-F144 HydrophobicContact CG2-CZ 3.7Å; V142-F144 HydrophobicContact CG1-CE2 4.06Å; V142-F144 HydrophobicContact CG1-CZ 4Å
145	Q	76	Confident	75.3	Confident	85 Å²	85	52.8 Å²	52.8	40%	0.397	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.7	172.1	-170.2	172.1	25	0	0	109.4	Y3 T4 F6 I147	Y3-Q145 WeakPolarHBondContact CA-O 3.4Å; T4-Q145 PolarHBondContact N-O 3.48Å; T4-Q145 PolarHBondContact O-N 2.77Å; F6-Q145 HydrophobicContact CD2-CB 4.42Å; F6-Q145 HydrophobicContact CE2-CB 4.2Å; Q145-I147 PolarHBondContact O-N 2.77Å
146	A	71.1	Confident	74.2	Confident	48 Å²	48	55.2 Å²	55.2	40%	0.397	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	119.3	166.5	0	0	0	0	0	108.8	M1	M1-A146 HydrophobicContact CE-CB 3.71Å; M1-A146 HydrophobicContact SD-CB 3.74Å
147	I	66.5	Low	73.3	Confident	23 Å²	23	56.2 Å²	56.2	12%	0.118	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	137.3	163.9	-59.5	-161.9	0	0	0	107	A2 T4 Q145 F150 F171	A2-I147 PolarHBondContact O-N 3.23Å; T4-I147 HydrophobicContact CG2-CD1 4.38Å; T4-I147 WeakPolarHBondContact OG1-CD1 3.34Å; Q145-I147 PolarHBondContact O-N 2.77Å; I147-F150 HydrophobicContact CB-CE2 3.95Å; I147-F150 HydrophobicContact CB-CZ 4.27Å; I147-F150 HydrophobicContact CG2-CE2 3.6Å; I147-F150 HydrophobicContact CG2-CZ 3.85Å; I147-F171 HydrophobicContact CG2-CB 3.76Å; I147-F171 HydrophobicContact CG2-CD2 4.35Å; I147-F171 HydrophobicContact CG2-CG 4.07Å
148	G	62.3	Low	72.3	Confident	48 Å²	48	58.1 Å²	58.1	50%	0.495	33%	0.326	S	S	.	.			trans	-60.2	-161.4	176.1	0	0	0	0	0	113.2	F150	G148-F150 PolarHBondContact O-N 2.84Å
149	E	57	Low	71.2	Confident	135 Å²	135	58.2 Å²	58.2	63%	0.631	32%	0.324	S	S	*	.			trans	-63.7	129.7	-176.4	-64.4	-176.9	168.5	0	0	111.3	C170 F171	E149-C170 VanDerWaalsContact O-CA 3.29Å; E149-C170 WeakPolarHBondContact O-CA 3.48Å; E149-C170 WeakPolarHBondContact O-CB 3.16Å; E149-F171 PolarHBondContact O-N 2.76Å
150	F	59.5	Low	70.1	Confident	38 Å²	38	56.1 Å²	56.1	17%	0.167	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-76	136	170.5	-81.3	-104	0	0	0	107.8	A2 T15 I147 G148 L152 F171	A2-F150 HydrophobicContact CB-CD2 3.84Å; A2-F150 HydrophobicContact CB-CE1 4.4Å; A2-F150 HydrophobicContact CB-CE2 2.99Å; A2-F150 HydrophobicContact CB-CZ 3.31Å; T15-F150 HydrophobicContact CG2-CE1 4.39Å; T15-F150 HydrophobicContact CG2-CZ 3.87Å; I147-F150 HydrophobicContact CB-CE2 3.95Å; I147-F150 HydrophobicContact CB-CZ 4.27Å; I147-F150 HydrophobicContact CG2-CE2 3.6Å; I147-F150 HydrophobicContact CG2-CZ 3.85Å; G148-F150 PolarHBondContact O-N 2.84Å; F150-L152 HydrophobicContact CB-CD2 3.94Å; F150-L152 HydrophobicContact CB-CG 4.01Å; F150-L152 PolarHBondContact O-N 3.06Å; F150-F171 HydrophobicContact CE1-CB 4.43Å; F150-F171 HydrophobicContact CE1-CD1 4.18Å; F150-F171 HydrophobicContact CZ-CB 4.47Å; F150-F171 HydrophobicContact CZ-CD1 4.46Å
151	C	59.4	Low	69.1	Low	14 Å²	14	60.8 Å²	60.8	10%	0.095	32%	0.323	C	S	.	.			trans	-72.7	69.8	167.3	-99.3	0	0	0	0	109.3	Q153 Y154 C160 C170 F171	C151-Q153 PolarHBondContact O-N 3.13Å; C151-Y154 HydrophobicContact CB-CD2 3.73Å; C151-Y154 HydrophobicContact CB-CE2 4.25Å; C151-Y154 PolarHBondContact O-N 3.15Å; C151-Y154 VanDerWaalsContact O-N 3.16Å; C151-C160 WeakPolarHBondContact CB-SG 2.96Å; C151-C170 HydrophobicContact CB-CB 3.68Å; C151-C170 WeakPolarHBondContact CB-SG 3.45Å; C151-C170 WeakPolarHBondContact SG-CB 3.19Å; C151-C170 CovalentContact SG-SG 2.02Å; C151-C170 PolarHBondContact SG-SG 2.79Å; C151-F171 PolarHBondContact N-O 2.77Å
152	L	58.8	Low	68.2	Low	87 Å²	87	64.7 Å²	64.7	46%	0.455	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-9.7	176.8	-66	-179.8	0	0	0	112.9	Y19 F150 Y154	Y19-L152 HydrophobicContact CD1-CD1 4.15Å; Y19-L152 HydrophobicContact CD1-CD2 4.47Å; Y19-L152 HydrophobicContact CE1-CD1 4.17Å; Y19-L152 HydrophobicContact CE1-CD2 3.69Å; F150-L152 HydrophobicContact CB-CD2 3.94Å; F150-L152 HydrophobicContact CB-CG 4.01Å; F150-L152 PolarHBondContact O-N 3.06Å; L152-Y154 VanDerWaalsContact C-N 3.28Å
153	Q	61.9	Low	67.2	Low	132 Å²	132	66 Å²	66	62%	0.617	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-10.7	176.8	65.9	-168.9	4.9	0	0	113.7	C151	C151-Q153 PolarHBondContact O-N 3.13Å
154	Y	61.3	Low	66.1	Low	73 Å²	73	69.5 Å²	69.5	29%	0.286	37%	0.369	S	S	.	.			trans	-118.7	123	-177.3	-60.1	-54.2	0	0	0	110.8	C151 L152 T156 C160 A163	C151-Y154 HydrophobicContact CB-CD2 3.73Å; C151-Y154 HydrophobicContact CB-CE2 4.25Å; C151-Y154 PolarHBondContact O-N 3.15Å; C151-Y154 VanDerWaalsContact O-N 3.16Å; L152-Y154 VanDerWaalsContact C-N 3.28Å; Y154-T156 VanDerWaalsContact C-N 3.3Å; Y154-T156 PolarHBondContact O-N 3.14Å; Y154-C160 VanDerWaalsContact CD2-CA 3.46Å; Y154-C160 HydrophobicContact CD2-CB 3.8Å; Y154-C160 HydrophobicContact CG-CB 4.06Å; Y154-A163 HydrophobicContact CD2-CB 4.21Å; Y154-A163 HydrophobicContact CE1-CB 3.91Å; Y154-A163 HydrophobicContact CE2-CB 3.35Å; Y154-A163 WeakPolarHBondContact OH-CB 3.3Å
155	D	60.4	Low	65	Low	101 Å²	101	72.5 Å²	72.5	54%	0.54	39%	0.388	S	S	.	.	S	Bend	trans	-77	-17.2	-176.5	-71.9	-26.6	0	0	0	113.8	K175	D155-K175 VanDerWaalsContact CG-NZ 3.33Å; D155-K175 WeakPolarHBondContact OD1-CE 3.45Å; D155-K175 IonicContact OD1-NZ 3.94Å; D155-K175 PolarHBondContact OD1-NZ 3.37Å; D155-K175 IonicContact OD2-NZ 2.86Å
156	T	63.5	Low	64.2	Low	64 Å²	64	75.1 Å²	75.1	39%	0.393	41%	0.412	S	S	.	.	S	Bend	trans	-129.3	149.3	-176.7	71	0	0	0	0	110.7	Y154 E158 T159 C160	Y154-T156 VanDerWaalsContact C-N 3.3Å; Y154-T156 PolarHBondContact O-N 3.14Å; T156-E158 PolarHBondContact O-N 2.65Å; T156-T159 PolarHBondContact O-N 2.98Å; T156-T159 PolarHBondContact O-OG1 2.88Å; T156-T159 VanDerWaalsContact O-OG1 3.1Å; T156-T159 WeakPolarHBondContact OG1-CG2 3.25Å; T156-T159 PolarHBondContact OG1-N 2.93Å; T156-T159 VanDerWaalsContact OG1-N 3.12Å; T156-T159 PolarHBondContact OG1-OG1 2.86Å; T156-C160 WeakPolarHBondContact O-CB 3.08Å; T156-C160 PolarHBondContact O-N 3.45Å; T156-C160 VanDerWaalsContact O-N 3.14Å
157	S	67.5	Low	63.4	Low	26 Å²	26	78.9 Å²	78.9	18%	0.182	43%	0.43	C	S	.	.	H	α-helix	trans	-56.5	-37.8	173.9	-178	0	0	0	0	111.3	C160 Q161	S157-C160 PolarHBondContact O-N 2.86Å; S157-Q161 WeakPolarHBondContact O-CB 3.45Å; S157-Q161 VanDerWaalsContact O-CG 3.28Å; S157-Q161 WeakPolarHBondContact O-CG 3.31Å; S157-Q161 PolarHBondContact O-N 3.24Å
158	E	70	Confident	62.7	Low	141 Å²	141	80.2 Å²	80.2	66%	0.659	44%	0.44	S	S	*	.	H	α-helix	trans	-66	-49.9	-178.6	-170.9	176.3	-173.1	0	0	112.6	T156 C160 Q161 N162	T156-E158 PolarHBondContact O-N 2.65Å; E158-C160 PolarHBondContact O-N 3.16Å; E158-Q161 PolarHBondContact O-N 2.82Å; E158-N162 WeakPolarHBondContact O-CB 3.28Å; E158-N162 VanDerWaalsContact O-CG 3.26Å; E158-N162 PolarHBondContact O-N 2.81Å; E158-N162 PolarHBondContact O-ND2 3.46Å
159	T	70.5	Confident	62.5	Low	64 Å²	64	84.6 Å²	84.6	39%	0.393	46%	0.457	S	S	.	.	H	α-helix	trans	-62.1	-36.2	176.7	51.5	0	0	0	0	111.8	T156 A163	T156-T159 PolarHBondContact O-N 2.98Å; T156-T159 PolarHBondContact O-OG1 2.88Å; T156-T159 VanDerWaalsContact O-OG1 3.1Å; T156-T159 WeakPolarHBondContact OG1-CG2 3.25Å; T156-T159 PolarHBondContact OG1-N 2.93Å; T156-T159 VanDerWaalsContact OG1-N 3.12Å; T156-T159 PolarHBondContact OG1-OG1 2.86Å; T159-A163 WeakPolarHBondContact O-CB 3.29Å; T159-A163 PolarHBondContact O-N 2.74Å; T159-A163 VanDerWaalsContact O-N 3.16Å
160	C	67.8	Low	62.5	Low	3 Å²	3	78.8 Å²	78.8	2%	0.02	43%	0.431	C	S	.	.	H	α-helix	trans	-67.5	-44.4	175.6	-176.8	0	0	0	0	113	C151 Y154 T156 S157 E158 N162 A163 K164 C172	C151-C160 WeakPolarHBondContact CB-SG 2.96Å; Y154-C160 VanDerWaalsContact CD2-CA 3.46Å; Y154-C160 HydrophobicContact CD2-CB 3.8Å; Y154-C160 HydrophobicContact CG-CB 4.06Å; T156-C160 WeakPolarHBondContact O-CB 3.08Å; T156-C160 PolarHBondContact O-N 3.45Å; T156-C160 VanDerWaalsContact O-N 3.14Å; S157-C160 PolarHBondContact O-N 2.86Å; E158-C160 PolarHBondContact O-N 3.16Å; C160-N162 VanDerWaalsContact C-N 3.35Å; C160-A163 PolarHBondContact O-N 3Å; C160-K164 PolarHBondContact O-N 3.03Å; C160-C172 HydrophobicContact CB-CB 3.49Å; C160-C172 VanDerWaalsContact CB-CB 3.49Å; C160-C172 WeakPolarHBondContact CB-SG 3.43Å; C160-C172 PolarHBondContact O-SG 2.83Å; C160-C172 VanDerWaalsContact O-SG 3.41Å; C160-C172 WeakPolarHBondContact SG-CA 3.33Å; C160-C172 WeakPolarHBondContact SG-CB 3.09Å; C160-C172 CovalentContact SG-SG 2.02Å; C160-C172 PolarHBondContact SG-SG 2.82Å
161	Q	70.6	Confident	62.6	Low	111 Å²	111	81.6 Å²	81.6	52%	0.519	44%	0.444	S	S	.	.	H	α-helix	trans	-64.2	-41.7	178.6	-76.3	-175.1	9.8	0	0	111.5	S157 E158 A163 K164 C172	S157-Q161 WeakPolarHBondContact O-CB 3.45Å; S157-Q161 VanDerWaalsContact O-CG 3.28Å; S157-Q161 WeakPolarHBondContact O-CG 3.31Å; S157-Q161 PolarHBondContact O-N 3.24Å; E158-Q161 PolarHBondContact O-N 2.82Å; Q161-A163 PolarHBondContact O-N 3.17Å; Q161-K164 WeakPolarHBondContact O-CB 3.3Å; Q161-K164 PolarHBondContact O-N 2.83Å; Q161-C172 HydrophobicContact CG-CB 4.22Å; Q161-C172 PolarHBondContact N-SG 2.92Å
162	N	71.8	Confident	62.7	Low	127 Å²	127	81.7 Å²	81.7	68%	0.679	44%	0.444	S	S	*	.	H	α-helix	trans	-67.5	-26.1	178.8	-69.7	-25.1	0	0	0	113	E158 C160	E158-N162 WeakPolarHBondContact O-CB 3.28Å; E158-N162 VanDerWaalsContact O-CG 3.26Å; E158-N162 PolarHBondContact O-N 2.81Å; E158-N162 PolarHBondContact O-ND2 3.46Å; C160-N162 VanDerWaalsContact C-N 3.35Å
163	A	66.3	Low	62.5	Low	27 Å²	27	79.6 Å²	79.6	22%	0.223	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-0.3	177.6	0	0	0	0	0	114.4	Y154 T159 C160 Q161 T165	Y154-A163 HydrophobicContact CD2-CB 4.21Å; Y154-A163 HydrophobicContact CE1-CB 3.91Å; Y154-A163 HydrophobicContact CE2-CB 3.35Å; Y154-A163 WeakPolarHBondContact OH-CB 3.3Å; T159-A163 WeakPolarHBondContact O-CB 3.29Å; T159-A163 PolarHBondContact O-N 2.74Å; T159-A163 VanDerWaalsContact O-N 3.16Å; C160-A163 PolarHBondContact O-N 3Å; Q161-A163 PolarHBondContact O-N 3.17Å; A163-T165 PolarHBondContact O-N 2.96Å
164	K	63.5	Low	62.2	Low	109 Å²	109	80.4 Å²	80.4	47%	0.474	44%	0.44	S	S	.	.			trans	-65	110.2	175.6	-74.1	-175.9	-179.4	-179.9	0	109.8	C160 Q161 C172	C160-K164 PolarHBondContact O-N 3.03Å; Q161-K164 WeakPolarHBondContact O-CB 3.3Å; Q161-K164 PolarHBondContact O-N 2.83Å; K164-C172 WeakPolarHBondContact CE-SG 3.22Å
165	T	60	Low	61.7	Low	66 Å²	66	83.8 Å²	83.8	41%	0.405	46%	0.456	S	S	.	.			trans	-93.6	160.7	165.7	68.7	0	0	0	0	109.8	A163 T167 T168	A163-T165 PolarHBondContact O-N 2.96Å; T165-T167 PolarHBondContact O-N 2.98Å; T165-T167 PolarHBondContact OG1-OG1 3.23Å; T165-T167 VanDerWaalsContact OG1-OG1 3.13Å; T165-T168 PolarHBondContact O-N 3.38Å; T165-T168 WeakPolarHBondContact OG1-CB 3.48Å; T165-T168 PolarHBondContact OG1-N 3.01Å; T165-T168 PolarHBondContact OG1-OG1 2.89Å
166	P	59	Low	61.2	Low	141 Å²	141	84.8 Å²	84.8	92%	0.916	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-21.3	176.5	-24.9	33.8	0	0	0	114.3
167	T	53.5	Low	60	Low	126 Å²	126	90.4 Å²	90.4	77%	0.773	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-8.1	178.3	51	0	0	0	0	113.5	T165	T165-T167 PolarHBondContact O-N 2.98Å; T165-T167 PolarHBondContact OG1-OG1 3.23Å; T165-T167 VanDerWaalsContact OG1-OG1 3.13Å
168	T	53.5	Low	58.6	Low	51 Å²	51	96 Å²	96	31%	0.313	51%	0.506	S	S	.	.			trans	-104.5	95.9	-179.1	-52.3	0	0	0	0	110.6	T165 C170	T165-T168 PolarHBondContact O-N 3.38Å; T165-T168 WeakPolarHBondContact OG1-CB 3.48Å; T165-T168 PolarHBondContact OG1-N 3.01Å; T165-T168 PolarHBondContact OG1-OG1 2.89Å; T168-C170 HydrophobicContact CG2-CB 4.06Å; T168-C170 PolarHBondContact O-N 3.06Å
169	T	56.2	Low	56.7	Low	141 Å²	141	98.8 Å²	98.8	87%	0.865	52%	0.515	S	S	*	.			trans	-83.6	29.9	177.3	36.8	0	0	0	0	113.5
170	C	57.4	Low	54.8	Low	13 Å²	13	103.8 Å²	103.8	9%	0.088	53%	0.532	C	S	.	.			trans	-77.6	147	-177.4	74	0	0	0	0	112.4	E149 C151 T168	E149-C170 VanDerWaalsContact O-CA 3.29Å; E149-C170 WeakPolarHBondContact O-CA 3.48Å; E149-C170 WeakPolarHBondContact O-CB 3.16Å; C151-C170 HydrophobicContact CB-CB 3.68Å; C151-C170 WeakPolarHBondContact CB-SG 3.45Å; C151-C170 WeakPolarHBondContact SG-CB 3.19Å; C151-C170 CovalentContact SG-SG 2.02Å; C151-C170 PolarHBondContact SG-SG 2.79Å; T168-C170 HydrophobicContact CG2-CB 4.06Å; T168-C170 PolarHBondContact O-N 3.06Å
171	F	61.6	Low	53	Low	97 Å²	97	112.1 Å²	112.1	43%	0.425	57%	0.571	S	S	.	*	B	Isolated β-bridge	trans	-87.8	136.7	175.9	-156.7	-93.9	0	0	0	110.8	I147 E149 F150 C151 C173	I147-F171 HydrophobicContact CG2-CB 3.76Å; I147-F171 HydrophobicContact CG2-CD2 4.35Å; I147-F171 HydrophobicContact CG2-CG 4.07Å; E149-F171 PolarHBondContact O-N 2.76Å; F150-F171 HydrophobicContact CE1-CB 4.43Å; F150-F171 HydrophobicContact CE1-CD1 4.18Å; F150-F171 HydrophobicContact CZ-CB 4.47Å; F150-F171 HydrophobicContact CZ-CD1 4.46Å; C151-F171 PolarHBondContact N-O 2.77Å; F171-C173 WeakPolarHBondContact CD1-SG 3.31Å; F171-C173 WeakPolarHBondContact CE1-SG 2.93Å
172	C	61.4	Low	51	Low	15 Å²	15	115.4 Å²	115.4	10%	0.101	59%	0.586	C	S	.	*			trans	-107.3	112.6	-179.8	-59	0	0	0	0	109.2	C160 Q161 K164	C160-C172 HydrophobicContact CB-CB 3.49Å; C160-C172 VanDerWaalsContact CB-CB 3.49Å; C160-C172 WeakPolarHBondContact CB-SG 3.43Å; C160-C172 PolarHBondContact O-SG 2.83Å; C160-C172 VanDerWaalsContact O-SG 3.41Å; C160-C172 WeakPolarHBondContact SG-CA 3.33Å; C160-C172 WeakPolarHBondContact SG-CB 3.09Å; C160-C172 CovalentContact SG-SG 2.02Å; C160-C172 PolarHBondContact SG-SG 2.82Å; Q161-C172 HydrophobicContact CG-CB 4.22Å; Q161-C172 PolarHBondContact N-SG 2.92Å; K164-C172 WeakPolarHBondContact CE-SG 3.22Å
173	C	56	Low	49.3	Very low	44 Å²	44	112.4 Å²	112.4	30%	0.297	57%	0.569	S	S	.	*			trans	-118.4	148.3	168.6	-72.7	0	0	0	0	108.9	F171	F171-C173 WeakPolarHBondContact CD1-SG 3.31Å; F171-C173 WeakPolarHBondContact CE1-SG 2.93Å
174	E	55.1	Low	47.5	Very low	148 Å²	148	119.6 Å²	119.6	69%	0.692	60%	0.598	S	S	*	*			trans	-58.5	141.6	156.6	-65.9	178.3	167.3	0	0	108.2	I176	E174-I176 PolarHBondContact O-N 3.31Å
175	K	49.8	Very low	46.1	Very low	144 Å²	144	121.4 Å²	121.4	63%	0.626	60%	0.603	S	S	*	*			trans	-54.3	106.9	170.6	-77.7	-177.5	179.6	172.2	0	107.6	D155 E177	D155-K175 VanDerWaalsContact CG-NZ 3.33Å; D155-K175 WeakPolarHBondContact OD1-CE 3.45Å; D155-K175 IonicContact OD1-NZ 3.94Å; D155-K175 PolarHBondContact OD1-NZ 3.37Å; D155-K175 IonicContact OD2-NZ 2.86Å; K175-E177 PolarHBondContact O-N 3.14Å
176	I	49.4	Very low	44.6	Very low	123 Å²	123	126 Å²	126	63%	0.631	62%	0.62	S	S	*	*			trans	-66.7	118.7	169.8	-57.5	174.4	0	0	0	104.6	E174 E178	E174-I176 PolarHBondContact O-N 3.31Å; I176-E178 PolarHBondContact O-N 2.87Å
177	E	38.4	Very low	43.4	Very low	182 Å²	182	128.8 Å²	128.8	85%	0.85	61%	0.613	S	S	*	*			trans	-50.3	119.3	171.8	-73.1	-173	159.9	0	0	108.2	K175 K179	K175-E177 PolarHBondContact O-N 3.14Å; E177-K179 VanDerWaalsContact C-N 3.29Å; E177-K179 PolarHBondContact O-N 2.87Å
178	E	39.5	Very low	42.3	Very low	143 Å²	143	130.6 Å²	130.6	67%	0.668	61%	0.613	S	S	*	*			trans	-60.4	88.5	-178.2	-68.8	178.6	172.1	0	0	109.8	I176 K180	I176-E178 PolarHBondContact O-N 2.87Å; E178-K180 PolarHBondContact O-N 3.42Å
179	K	29.9	Very low	41.2	Very low	199 Å²	199	135.5 Å²	135.5	87%	0.865	64%	0.637	S	S	*	*			trans	-70.4	96	147.6	-83	-170.5	176.7	-177.5	0	106	E177 E181	E177-K179 VanDerWaalsContact C-N 3.29Å; E177-K179 PolarHBondContact O-N 2.87Å; K179-E181 PolarHBondContact O-N 2.82Å
180	K	29.8	Very low	40.3	Very low	169 Å²	169	133.8 Å²	133.8	74%	0.735	63%	0.631	S	S	*	*			trans	-58.2	82.8	163.7	-69.6	-177.6	178.4	-177.3	0	108.3	E178 E182	E178-K180 PolarHBondContact O-N 3.42Å; K180-E182 VanDerWaalsContact C-N 3.3Å; K180-E182 PolarHBondContact O-N 3.03Å
181	E	29.6	Very low	38.9	Very low	179 Å²	179	136 Å²	136	84%	0.836	66%	0.657	S	S	*	*			trans	-75	99.2	145.6	-80.6	-177.5	164	0	0	104.7	K179 I183	K179-E181 PolarHBondContact O-N 2.82Å; E181-I183 PolarHBondContact O-N 2.87Å
182	E	29.4	Very low	37.3	Very low	179 Å²	179	142.4 Å²	142.4	84%	0.836	68%	0.678	S	S	*	*			trans	-55.1	104.8	168.3	-80.8	179	153.7	0	0	107.7	K180 E184	K180-E182 VanDerWaalsContact C-N 3.3Å; K180-E182 PolarHBondContact O-N 3.03Å; E182-E184 PolarHBondContact O-N 3.25Å; E182-E184 VanDerWaalsContact O-N 3.14Å
183	I	36.4	Very low	35.9	Very low	64 Å²	64	155 Å²	155	33%	0.328	73%	0.731	S	S	.	*			trans	-70.4	106.7	163.6	-59.8	173.9	0	0	0	104.9	V16 A128 E181 Y185	V16-I183 HydrophobicContact CG1-CD1 4.07Å; A128-I183 HydrophobicContact CB-CG2 4.48Å; A128-I183 WeakPolarHBondContact O-CG2 3.3Å; E181-I183 PolarHBondContact O-N 2.87Å; I183-Y185 PolarHBondContact O-N 2.91Å; I183-Y185 VanDerWaalsContact O-N 3.15Å
184	E	28.4	Very low	34.9	Very low	179 Å²	179	160.6 Å²	160.6	84%	0.836	75%	0.753	S	S	*	*			trans	-60.1	113.9	179	-144.9	169.4	-163.2	0	0	108.9	E182 E186	E182-E184 PolarHBondContact O-N 3.25Å; E182-E184 VanDerWaalsContact O-N 3.14Å; E184-E186 PolarHBondContact O-N 2.88Å
185	Y	34.7	Very low	33.8	Very low	147 Å²	147	161.3 Å²	161.3	58%	0.576	76%	0.756	S	S	*	*			trans	-78.2	105.5	173.4	-69.4	-83.6	0	0	0	108.5	I183 Y187	I183-Y185 PolarHBondContact O-N 2.91Å; I183-Y185 VanDerWaalsContact O-N 3.15Å; Y185-Y187 PolarHBondContact O-N 2.61Å
186	E	28	Very low	32.9	Very low	161 Å²	161	162.2 Å²	162.2	75%	0.752	76%	0.763	S	S	*	*			trans	-79.9	101.9	168.9	-155.7	171.3	-162.7	0	0	108.7	E184 Q188	E184-E186 PolarHBondContact O-N 2.88Å; E186-Q188 PolarHBondContact O-N 2.68Å
187	Y	32.5	Very low	31.9	Very low	200 Å²	200	164.5 Å²	164.5	78%	0.784	77%	0.771	S	S	*	*			trans	-76.1	110.8	172.7	-80.1	-95.2	0	0	0	109.3	Y185	Y185-Y187 PolarHBondContact O-N 2.61Å
188	Q	32.2	Very low	31.5	Very low	164 Å²	164	163.4 Å²	163.4	77%	0.766	77%	0.766	S	S	*	*			trans	-96.4	100.2	157.3	-76.2	-168.8	-40.4	0	0	108.7	E186 S190	E186-Q188 PolarHBondContact O-N 2.68Å; Q188-S190 PolarHBondContact O-N 3.13Å
189	D	29.8	Very low	31	Very low	154 Å²	154	164.8 Å²	164.8	82%	0.824	77%	0.773	S	S	*	*			trans	-70.8	95.2	168.4	-170.7	10.7	0	0	0	108.9	G191	D189-G191 PolarHBondContact O-N 3.32Å; D189-G191 VanDerWaalsContact O-N 3.13Å
190	S	35.9	Very low	31.1	Very low	106 Å²	106	162.4 Å²	162.4	74%	0.741	77%	0.766	S	S	*	*			trans	-80.3	81.3	164.6	173.7	0	0	0	0	108	Q188 R192	Q188-S190 PolarHBondContact O-N 3.13Å; S190-R192 PolarHBondContact O-N 3.37Å; S190-R192 VanDerWaalsContact O-N 3.15Å
191	G	29.9	Very low	31.2	Very low	60 Å²	60	161.8 Å²	161.8	62%	0.619	77%	0.768	S	S	*	*			trans	-59.5	112.1	168	0	0	0	0	0	110.3	D189 K193	D189-G191 PolarHBondContact O-N 3.32Å; D189-G191 VanDerWaalsContact O-N 3.13Å; G191-K193 PolarHBondContact O-N 2.95Å
192	R	28	Very low	31.3	Very low	231 Å²	231	160.4 Å²	160.4	87%	0.872	76%	0.763	S	S	*	*			trans	-75.4	111.2	160	-91.9	-176.7	-88.6	160.9	-4.6	108.4	S190	S190-R192 PolarHBondContact O-N 3.37Å; S190-R192 VanDerWaalsContact O-N 3.15Å
193	K	30.3	Very low	31.5	Very low	280 Å²	280	158.7 Å²	158.7	100%	1.217	76%	0.756	S	S	*	*			trans	-102.4	0	142.8	-87.6	-172.4	177.5	-179.8	0	107.9	G191	G191-K193 PolarHBondContact O-N 2.95Å

Retrieved 193 of 193 residues in 172 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).