A0A077ZLQ8_TRITR Loading...

Major sperm protein

Central component in molecular interactions underlying sperm crawling. Forms an extensive filament system that extends from sperm villipoda, along the leading edge of the pseudopod.

AlphaFold DB , UniProt , Accession A0A077ZLQ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 238 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	38.5	Very low	47.6	Very low	215 Å²	215	123.1 Å²	123.1	100%	1.059	66%	0.66	S	S	*	*				0	107	0	-84.9	178	-178	0	0	107.1	F3	M1-F3 PolarHBondContact O-N 2.78Å
2	E	35.5	Very low	50.6	Low	192 Å²	192	113.6 Å²	113.6	90%	0.897	61%	0.613	S	S	*	*			trans	-75.4	118.3	169.5	-75.5	-177	145.5	0	0	108.4	V4	E2-V4 PolarHBondContact O-N 2.78Å
3	F	41.4	Very low	53.8	Low	117 Å²	117	109.9 Å²	109.9	51%	0.513	59%	0.59	S	S	.	*			trans	-80.7	99.3	174.2	-65.5	-85	0	0	0	107.6	M1 S5 P99 L119	M1-F3 PolarHBondContact O-N 2.78Å; F3-S5 PolarHBondContact O-N 3.06Å; F3-P99 HydrophobicContact CE1-CG 4.09Å; F3-L119 HydrophobicContact CB-CD1 4.16Å; F3-L119 HydrophobicContact CD1-CD1 4.4Å; F3-L119 HydrophobicContact CD2-CD1 3.95Å; F3-L119 HydrophobicContact CE2-CD1 4.47Å; F3-L119 HydrophobicContact CG-CD1 3.91Å
4	V	39.3	Very low	56.7	Low	140 Å²	140	103 Å²	103	85%	0.848	55%	0.553	S	S	*	*			trans	-59.6	113.4	170.2	179.1	0	0	0	0	107.3	E2 G6	E2-V4 PolarHBondContact O-N 2.78Å; V4-G6 PolarHBondContact O-N 3.45Å
5	S	41.1	Very low	59.2	Low	113 Å²	113	102.6 Å²	102.6	79%	0.79	54%	0.542	S	S	*	.			trans	-71.4	69.5	178.2	-160.4	0	0	0	0	109.7	F3	F3-S5 PolarHBondContact O-N 3.06Å
6	G	41.9	Very low	61.3	Low	48 Å²	48	99.6 Å²	99.6	50%	0.495	53%	0.53	S	S	.	.			trans	-76.8	122.7	165.3	0	0	0	0	0	107.9	V4 R8	V4-G6 PolarHBondContact O-N 3.45Å; G6-R8 VanDerWaalsContact C-N 3.34Å; G6-R8 PolarHBondContact O-N 2.97Å
7	T	46.3	Very low	62.9	Low	135 Å²	135	99.1 Å²	99.1	83%	0.828	53%	0.531	S	S	*	.			trans	-55.6	91.9	175.4	48.4	0	0	0	0	110.5	K9	T7-K9 PolarHBondContact O-N 3.48Å
8	R	53.6	Low	64.3	Low	106 Å²	106	99.8 Å²	99.8	40%	0.4	54%	0.535	S	S	.	.			trans	-68.4	105	174	-72	179.7	171.4	-142.1	-20.6	107.5	G6 T10 E42	G6-R8 VanDerWaalsContact C-N 3.34Å; G6-R8 PolarHBondContact O-N 2.97Å; R8-T10 PolarHBondContact O-N 3.24Å; R8-E42 IonicContact CZ-OE2 3.18Å; R8-E42 IonicContact NH1-OE2 2.7Å; R8-E42 PolarHBondContact NH1-OE2 3.06Å; R8-E42 IonicContact NH2-OE1 3.85Å; R8-E42 IonicContact NH2-OE2 3.24Å; R8-E42 PolarHBondContact NH2-OE2 3.22Å
9	K	55.7	Low	65.8	Low	187 Å²	187	96 Å²	96	81%	0.813	52%	0.517	S	S	*	.			trans	-56.1	123.8	178.9	-77.7	-179.7	176.2	178.9	0	109.5	T7 T11	T7-K9 PolarHBondContact O-N 3.48Å; K9-T11 PolarHBondContact O-N 3.28Å
10	T	56.4	Low	67.1	Low	91 Å²	91	91.5 Å²	91.5	56%	0.558	49%	0.493	S	S	*	.			trans	10.5	99.7	167.8	54.5	0	0	0	0	116.3	R8 N39	R8-T10 PolarHBondContact O-N 3.24Å; T10-N39 PolarHBondContact O-OD1 2.7Å
11	T	73.8	Confident	68.3	Low	10 Å²	10	91.2 Å²	91.2	6%	0.061	49%	0.488	C	S	.	.			trans	-103.5	5.1	-171.4	34.3	0	0	0	0	116.1	K9 N38 N39 V97	K9-T11 PolarHBondContact O-N 3.28Å; T11-N38 PolarHBondContact O-OD1 3.24Å; T11-N39 WeakPolarHBondContact CA-OD1 3.45Å; T11-N39 PolarHBondContact O-OD1 3.26Å; T11-V97 HydrophobicContact CG2-CG2 3.36Å; T11-V97 WeakPolarHBondContact OG1-CG2 3.39Å
12	G	84.2	Confident	70.7	Confident	9 Å²	9	81.2 Å²	81.2	9%	0.093	44%	0.439	C	S	.	.			trans	-163.6	170.4	174.6	0	0	0	0	0	114.7	Y37 N39 Y124	G12-Y37 CarbonylContact C-O 3.59Å; G12-Y37 WeakPolarHBondContact CA-O 3.18Å; G12-N39 PolarHBondContact N-OD1 2.67Å; G12-Y124 VanDerWaalsContact C-OH 3.31Å; G12-Y124 WeakPolarHBondContact CA-OH 3.22Å; G12-Y124 PolarHBondContact N-OH 2.9Å; G12-Y124 WeakPolarHBondContact O-CE1 3.25Å; G12-Y124 PolarHBondContact O-OH 3.01Å
13	E	92.3	Very high	73.1	Confident	66 Å²	66	73.3 Å²	73.3	31%	0.308	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	150	179.7	-68.9	163.5	-157.4	0	0	109.4	Y15 Y37 N39	E13-Y15 HydrophobicContact CB-CD2 4.43Å; E13-Y15 HydrophobicContact CB-CE2 3.63Å; E13-Y15 PolarHBondContact OE2-OH 2.98Å; E13-Y37 HydrophobicContact CB-CD1 4.47Å; E13-Y37 PolarHBondContact N-O 3.26Å; E13-Y37 PolarHBondContact O-N 3.22Å; E13-N39 PolarHBondContact OE1-ND2 2.58Å
14	V	94.2	Very high	75.2	Confident	13 Å²	13	73.8 Å²	73.8	8%	0.079	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.2	-179.5	-176.3	0	0	0	0	108.1	P16 I34 K35 L36 V93 Y124 L126	V14-P16 CarbonylContact C-O 3.44Å; V14-I34 HydrophobicContact CG1-CD1 4.32Å; V14-K35 WeakPolarHBondContact CA-O 3.41Å; V14-L36 HydrophobicContact CB-CD2 4.33Å; V14-L36 HydrophobicContact CG1-CD2 3.94Å; V14-L36 HydrophobicContact CG2-CD2 3.77Å; V14-V93 HydrophobicContact CG1-CG2 4.35Å; V14-V93 HydrophobicContact CG2-CB 4.38Å; V14-V93 HydrophobicContact CG2-CG2 4.27Å; V14-Y124 HydrophobicContact CG2-CD1 3.96Å; V14-Y124 HydrophobicContact CG2-CD2 4.03Å; V14-Y124 HydrophobicContact CG2-CG 3.66Å; V14-L126 HydrophobicContact CG1-CD1 3.88Å; V14-L126 HydrophobicContact CG1-CD2 4.09Å; V14-L126 HydrophobicContact CG1-CG 4.36Å
15	Y	93.9	Very high	77.3	Confident	97 Å²	97	69.7 Å²	69.7	38%	0.38	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	133.5	-179.4	-62.7	-86.1	0	0	0	109.9	E13 V17 I34 K35	E13-Y15 HydrophobicContact CB-CD2 4.43Å; E13-Y15 HydrophobicContact CB-CE2 3.63Å; E13-Y15 PolarHBondContact OE2-OH 2.98Å; Y15-V17 HydrophobicContact CD1-CG2 4.42Å; Y15-I34 CarbonylContact O-C 3.59Å; Y15-I34 WeakPolarHBondContact O-CA 3.13Å; Y15-I34 WeakPolarHBondContact O-CB 3.35Å; Y15-K35 PolarHBondContact N-O 2.85Å; Y15-K35 PolarHBondContact O-N 3.36Å
16	P	92.5	Very high	79.3	Confident	55 Å²	55	67.1 Å²	67.1	36%	0.357	35%	0.35	S	S	.	.	S	Bend	cis	-57.6	157.4	-8.6	27.5	-37.5	0	0	0	112.6	V14 S19 I20 I34	V14-P16 CarbonylContact C-O 3.44Å; P16-S19 WeakPolarHBondContact CB-O 3.42Å; P16-S19 WeakPolarHBondContact CG-O 3.11Å; P16-I20 HydrophobicContact CG-CG1 4.26Å; P16-I34 HydrophobicContact CG-CG2 4.43Å
17	V	88.9	Confident	81.3	Confident	90 Å²	90	69.9 Å²	69.9	55%	0.545	35%	0.354	S	S	.	.	S	Bend	trans	-80.9	138.5	174.4	-170.6	0	0	0	0	107.1	Y15 S19	Y15-V17 HydrophobicContact CD1-CG2 4.42Å; V17-S19 PolarHBondContact O-N 2.97Å
18	D	88.3	Confident	83.3	Confident	112 Å²	112	67.6 Å²	67.6	60%	0.599	34%	0.336	S	S	*	.	S	Bend	trans	66.7	-44.2	173.5	-52.9	-35.6	0	0	0	117.8	L126 E127	D18-L126 CarbonylContact O-C 3.58Å; D18-L126 VanDerWaalsContact O-CA 3.27Å; D18-L126 WeakPolarHBondContact O-CA 3.32Å; D18-E127 PolarHBondContact O-N 3.47Å
19	S	92.4	Very high	85.1	Confident	28 Å²	28	66.3 Å²	66.3	20%	0.196	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	153	-171.8	65.8	0	0	0	0	115.5	P16 V17 H21 E127	P16-S19 WeakPolarHBondContact CB-O 3.42Å; P16-S19 WeakPolarHBondContact CG-O 3.11Å; V17-S19 PolarHBondContact O-N 2.97Å; S19-H21 PolarHBondContact OG-NE2 3.14Å; S19-E127 CarbonylContact C-O 3.5Å; S19-E127 WeakPolarHBondContact CA-O 3.48Å
20	I	92.7	Very high	86.8	Confident	6 Å²	6	58.5 Å²	58.5	3%	0.031	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.1	171.2	-53.6	152.5	0	0	0	106.9	P16 F22 A32 I34 I75 L126 E127 A128 L129	P16-I20 HydrophobicContact CG-CG1 4.26Å; I20-F22 HydrophobicContact CB-CE2 4.34Å; I20-F22 HydrophobicContact CG2-CD2 4.48Å; I20-F22 HydrophobicContact CG2-CE2 3.77Å; I20-F22 HydrophobicContact CG2-CZ 3.87Å; I20-A32 HydrophobicContact CG2-CB 3.53Å; I20-I34 HydrophobicContact CD1-CG2 3.69Å; I20-I34 HydrophobicContact CG1-CG2 3.74Å; I20-I75 HydrophobicContact CD1-CD1 3.38Å; I20-I75 HydrophobicContact CG1-CD1 4.4Å; I20-L126 HydrophobicContact CD1-CB 4.45Å; I20-L126 HydrophobicContact CD1-CD1 4.11Å; I20-E127 PolarHBondContact N-O 3.47Å; I20-A128 CarbonylContact O-C 3.56Å; I20-A128 WeakPolarHBondContact O-CA 3.47Å; I20-L129 PolarHBondContact O-N 3.39Å
21	H	91	Very high	88.6	Confident	85 Å²	85	60.2 Å²	60.2	39%	0.394	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.5	-173.4	-65.9	-100	0	0	0	110.8	S19 D131 V132	S19-H21 PolarHBondContact OG-NE2 3.14Å; H21-D131 IonicContact CE1-OD1 3.83Å; H21-D131 IonicContact CE1-OD2 3.75Å; H21-D131 PolarHBondContact CE1-OD2 2.92Å; H21-D131 IonicContact CG-OD1 3.15Å; H21-D131 IonicContact ND1-OD1 3.72Å; H21-D131 PolarHBondContact ND1-OD1 2.91Å; H21-D131 IonicContact ND1-OD2 3.97Å; H21-D131 PolarHBondContact ND1-OD2 3.46Å; H21-V132 HydrophobicContact CB-CG2 3.8Å
22	F	89.6	Confident	89.6	Confident	5 Å²	5	60.7 Å²	60.7	2%	0.022	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	153.4	174.1	-65.1	-76.8	0	0	0	109.4	I20 Q30 A32 I75 C77 A128 L129 F130 D131 V132	I20-F22 HydrophobicContact CB-CE2 4.34Å; I20-F22 HydrophobicContact CG2-CD2 4.48Å; I20-F22 HydrophobicContact CG2-CE2 3.77Å; I20-F22 HydrophobicContact CG2-CZ 3.87Å; F22-Q30 HydrophobicContact CD1-CB 3.82Å; F22-Q30 HydrophobicContact CE1-CB 4.43Å; F22-A32 HydrophobicContact CD1-CB 4.48Å; F22-A32 HydrophobicContact CE1-CB 3.59Å; F22-A32 HydrophobicContact CZ-CB 3.74Å; F22-I75 HydrophobicContact CZ-CB 4.35Å; F22-I75 HydrophobicContact CZ-CG2 3.82Å; F22-C77 HydrophobicContact CD1-CB 3.66Å; F22-C77 HydrophobicContact CD2-CB 4.18Å; F22-C77 HydrophobicContact CE1-CB 3.45Å; F22-C77 VanDerWaalsContact CE1-CB 3.45Å; F22-C77 HydrophobicContact CE2-CB 4.01Å; F22-C77 HydrophobicContact CG-CB 4.02Å; F22-C77 HydrophobicContact CZ-CB 3.65Å; F22-A128 HydrophobicContact CD2-CB 4.2Å; F22-A128 HydrophobicContact CE2-CB 3.97Å; F22-L129 PolarHBondContact N-O 3.12Å; F22-F130 HydrophobicContact CB-CD1 3.78Å; F22-F130 HydrophobicContact CB-CE1 4.02Å; F22-F130 HydrophobicContact CD2-CE1 4.42Å; F22-F130 HydrophobicContact CG-CE1 4.46Å; F22-F130 CarbonylContact O-C 3.57Å; F22-F130 WeakPolarHBondContact O-CA 3.29Å; F22-D131 PolarHBondContact O-N 2.7Å; F22-V132 PolarHBondContact O-N 2.79Å
23	S	86.4	Confident	90.2	Very high	26 Å²	26	62.3 Å²	62.3	18%	0.182	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	152.8	168.8	-57.8	0	0	0	0	111.7	I25 Q30 V132	S23-I25 PolarHBondContact O-N 3.12Å; S23-Q30 VanDerWaalsContact CB-OE1 3.24Å; S23-Q30 PolarHBondContact O-NE2 2.76Å; S23-V132 VanDerWaalsContact CA-O 3.25Å; S23-V132 WeakPolarHBondContact CA-O 3.41Å
24	R	84.5	Confident	90.4	Very high	128 Å²	128	59.1 Å²	59.1	48%	0.483	31%	0.311	S	S	.	.	S	Bend	trans	-72.3	-4.5	176.9	-68.4	175.7	-172.6	-116.9	-0.8	114.6	F26 F130 V132 D133	R24-F26 PolarHBondContact O-N 3.37Å; R24-F130 WeakPolarHBondContact CG-O 3.27Å; R24-F130 PolarHBondContact NE-O 3.11Å; R24-V132 PolarHBondContact N-O 3.4Å; R24-D133 IonicContact NE-OD1 3.18Å
25	I	83.9	Confident	90.5	Very high	54 Å²	54	63 Å²	63	28%	0.277	33%	0.327	S	S	.	.			trans	-68.7	129.3	-174.3	-54.3	167.4	0	0	0	110.9	S23 I28 Q30 S134	S23-I25 PolarHBondContact O-N 3.12Å; I25-I28 HydrophobicContact CG2-CB 4.19Å; I25-I28 HydrophobicContact CG2-CD1 3.59Å; I25-I28 HydrophobicContact CG2-CG1 3.84Å; I25-Q30 PolarHBondContact O-NE2 2.82Å; I25-S134 VanDerWaalsContact CD1-CB 3.48Å
26	F	83.6	Confident	90.6	Very high	58 Å²	58	58.6 Å²	58.6	25%	0.254	31%	0.31	S	S	.	.	S	Bend	trans	-84	158.4	175	-61.1	-84.5	0	0	0	111.7	R24 I28 R79 L80	R24-F26 PolarHBondContact O-N 3.37Å; F26-I28 PolarHBondContact O-N 3.23Å; F26-R79 HydrophobicContact CD1-CB 4.11Å; F26-R79 HydrophobicContact CD1-CG 3.69Å; F26-R79 VanDerWaalsContact CE1-CD 3.45Å; F26-R79 HydrophobicContact CE1-CG 3.78Å; F26-L80 WeakPolarHBondContact CD1-O 3.49Å
27	D	83.5	Confident	90.8	Very high	107 Å²	107	59.1 Å²	59.1	57%	0.572	31%	0.305	S	S	*	.	S	Bend	trans	59.4	4.1	174.3	-61.9	-38.8	0	0	0	116.4	R79 P81	D27-R79 PolarHBondContact N-O 3.26Å; D27-P81 WeakPolarHBondContact OD1-CD 3.23Å
28	I	87.5	Confident	91	Very high	87 Å²	87	54.8 Å²	54.8	45%	0.446	28%	0.279	S	S	.	.	S	Bend	trans	-105.4	131.2	172	-59.1	-172.4	0	0	0	109	I25 F26 Q30	I25-I28 HydrophobicContact CG2-CB 4.19Å; I25-I28 HydrophobicContact CG2-CD1 3.59Å; I25-I28 HydrophobicContact CG2-CG1 3.84Å; F26-I28 PolarHBondContact O-N 3.23Å; I28-Q30 PolarHBondContact O-N 2.73Å
29	T	92.1	Very high	91.2	Very high	79 Å²	79	51.8 Å²	51.8	49%	0.485	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	120	173.2	-59.4	0	0	0	0	109.5	R76 T78	T29-R76 HydrophobicContact CG2-CB 4.3Å; T29-R76 HydrophobicContact CG2-CG 4.32Å; T29-T78 PolarHBondContact OG1-OG1 3Å
30	Q	92.2	Very high	91	Very high	23 Å²	23	51.2 Å²	51.2	11%	0.107	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	148.3	178.3	-55.7	-177.5	45.4	0	0	110.5	F22 S23 I25 I28 R76 C77	F22-Q30 HydrophobicContact CD1-CB 3.82Å; F22-Q30 HydrophobicContact CE1-CB 4.43Å; S23-Q30 VanDerWaalsContact CB-OE1 3.24Å; S23-Q30 PolarHBondContact O-NE2 2.76Å; I25-Q30 PolarHBondContact O-NE2 2.82Å; I28-Q30 PolarHBondContact O-N 2.73Å; Q30-R76 WeakPolarHBondContact O-CA 3.31Å; Q30-C77 PolarHBondContact N-O 3.45Å; Q30-C77 PolarHBondContact O-N 3.46Å
31	L	94.3	Very high	90.9	Very high	126 Å²	126	55.9 Å²	55.9	66%	0.66	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.7	-179.5	-62.1	-179.5	0	0	0	110.2	I75 R76	L31-I75 WeakPolarHBondContact CA-O 3.43Å; L31-R76 HydrophobicContact CD2-CB 4.41Å; L31-R76 HydrophobicContact CD2-CG 3.38Å
32	A	94.3	Very high	90.8	Very high	20 Å²	20	53.2 Å²	53.2	17%	0.165	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	169.5	165.7	0	0	0	0	0	109.1	I20 F22 I75	I20-A32 HydrophobicContact CG2-CB 3.53Å; F22-A32 HydrophobicContact CD1-CB 4.48Å; F22-A32 HydrophobicContact CE1-CB 3.59Å; F22-A32 HydrophobicContact CZ-CB 3.74Å; A32-I75 HydrophobicContact CB-CB 4.42Å; A32-I75 PolarHBondContact N-O 2.73Å; A32-I75 PolarHBondContact O-N 2.84Å
33	S	95.5	Very high	90.9	Very high	43 Å²	43	57.8 Å²	57.8	30%	0.301	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	149	169.4	74.8	0	0	0	0	111.8	E72 I73	S33-E72 WeakPolarHBondContact CB-OE1 3.42Å; S33-E72 PolarHBondContact OG-OE1 3.48Å; S33-I73 VanDerWaalsContact CA-O 3.27Å; S33-I73 WeakPolarHBondContact CA-O 3.37Å
34	I	96.5	Very high	91.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	156.4	166.7	62.6	170.2	0	0	0	109.1	V14 Y15 P16 I20 L36 L48 E72 I73 I75 V93 L126	V14-I34 HydrophobicContact CG1-CD1 4.32Å; Y15-I34 CarbonylContact O-C 3.59Å; Y15-I34 WeakPolarHBondContact O-CA 3.13Å; Y15-I34 WeakPolarHBondContact O-CB 3.35Å; P16-I34 HydrophobicContact CG-CG2 4.43Å; I20-I34 HydrophobicContact CD1-CG2 3.69Å; I20-I34 HydrophobicContact CG1-CG2 3.74Å; I34-L36 HydrophobicContact CD1-CD2 4.09Å; I34-L48 HydrophobicContact CD1-CD2 3.76Å; I34-E72 CarbonylContact O-C 3.41Å; I34-E72 WeakPolarHBondContact O-CA 3.41Å; I34-I73 HydrophobicContact CD1-CB 4.5Å; I34-I73 HydrophobicContact CG1-CB 3.84Å; I34-I73 HydrophobicContact CG1-CG1 4.33Å; I34-I73 PolarHBondContact N-O 2.82Å; I34-I73 PolarHBondContact O-N 3.1Å; I34-I75 HydrophobicContact CB-CD1 4.39Å; I34-I75 HydrophobicContact CD1-CD1 4.27Å; I34-I75 HydrophobicContact CG1-CD1 4.01Å; I34-I75 HydrophobicContact CG2-CD1 3.69Å; I34-V93 HydrophobicContact CD1-CG2 4.18Å; I34-L126 HydrophobicContact CD1-CD1 3.87Å; I34-L126 HydrophobicContact CG2-CD1 4.31Å
35	K	97	Very high	91.6	Very high	95 Å²	95	50.6 Å²	50.6	41%	0.413	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126	176.7	-64.2	173.4	-179.3	179.7	0	108.8	V14 Y15 M70 K71	V14-K35 WeakPolarHBondContact CA-O 3.41Å; Y15-K35 PolarHBondContact N-O 2.85Å; Y15-K35 PolarHBondContact O-N 3.36Å; K35-M70 HydrophobicContact CB-CG 3.98Å; K35-M70 HydrophobicContact CB-SD 3.83Å; K35-M70 HydrophobicContact CD-SD 3.71Å; K35-M70 HydrophobicContact CG-SD 4.14Å; K35-K71 WeakPolarHBondContact CA-O 3.27Å
36	L	96.4	Very high	92.1	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.7	173.3	-53.3	-177.4	0	0	0	108.3	V14 I34 Y46 L65 M70 K71 I73 V93	V14-L36 HydrophobicContact CB-CD2 4.33Å; V14-L36 HydrophobicContact CG1-CD2 3.94Å; V14-L36 HydrophobicContact CG2-CD2 3.77Å; I34-L36 HydrophobicContact CD1-CD2 4.09Å; L36-Y46 HydrophobicContact CD1-CD1 4.23Å; L36-Y46 HydrophobicContact CD1-CD2 3.54Å; L36-Y46 HydrophobicContact CD1-CE2 3.97Å; L36-Y46 HydrophobicContact CD1-CG 3.68Å; L36-L65 HydrophobicContact CB-CD1 3.74Å; L36-L65 HydrophobicContact CB-CD2 4.07Å; L36-M70 CarbonylContact O-C 3.53Å; L36-M70 VanDerWaalsContact O-CA 3.27Å; L36-M70 WeakPolarHBondContact O-CA 3.21Å; L36-K71 PolarHBondContact N-O 3.21Å; L36-K71 PolarHBondContact O-N 3.26Å; L36-I73 HydrophobicContact CD1-CD1 4.22Å; L36-I73 HydrophobicContact CD1-CG1 3.86Å; L36-I73 HydrophobicContact CG-CG1 3.99Å; L36-V93 HydrophobicContact CD1-CG1 4.26Å; L36-V93 HydrophobicContact CD2-CG1 3.98Å; L36-V93 HydrophobicContact CD2-CG2 4.01Å
37	Y	95.4	Very high	92.6	Very high	65 Å²	65	47.6 Å²	47.6	26%	0.255	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.4	175.7	177	-123.7	0	0	0	110.3	G12 E13 N39 R69 M70	G12-Y37 CarbonylContact C-O 3.59Å; G12-Y37 WeakPolarHBondContact CA-O 3.18Å; E13-Y37 HydrophobicContact CB-CD1 4.47Å; E13-Y37 PolarHBondContact N-O 3.26Å; E13-Y37 PolarHBondContact O-N 3.22Å; Y37-N39 HydrophobicContact CD1-CB 3.96Å; Y37-N39 HydrophobicContact CE1-CB 3.51Å; Y37-R69 WeakPolarHBondContact CD2-O 3.44Å; Y37-M70 HydrophobicContact CD2-CB 4.4Å; Y37-M70 HydrophobicContact CD2-CE 4.5Å; Y37-M70 HydrophobicContact CG-CE 4.39Å
38	N	94.2	Very high	93.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.			trans	-96.5	104.1	171.9	177.2	5.4	0	0	0	108.9	T11 S40 E42 T44 L65 Q66 F68 R69	T11-N38 PolarHBondContact O-OD1 3.24Å; N38-S40 VanDerWaalsContact C-N 3.25Å; N38-S40 PolarHBondContact O-N 2.88Å; N38-S40 WeakPolarHBondContact OD1-CB 3.41Å; N38-S40 PolarHBondContact OD1-N 3.12Å; N38-S40 PolarHBondContact OD1-OG 2.89Å; N38-E42 PolarHBondContact ND2-O 3Å; N38-T44 PolarHBondContact ND2-OG1 2.78Å; N38-L65 HydrophobicContact CB-CB 3.68Å; N38-L65 HydrophobicContact CB-CD1 4.22Å; N38-L65 PolarHBondContact ND2-O 3.26Å; N38-Q66 WeakPolarHBondContact CB-O 3.44Å; N38-Q66 PolarHBondContact ND2-O 2.74Å; N38-F68 WeakPolarHBondContact O-CA 3.48Å; N38-F68 PolarHBondContact O-N 3.47Å; N38-R69 PolarHBondContact N-O 3.16Å; N38-R69 VanDerWaalsContact N-O 3.12Å
39	N	91.8	Very high	93.5	Very high	49 Å²	49	43.9 Å²	43.9	26%	0.262	22%	0.223	S	C	.	.			trans	-87.9	10.6	178.6	65.2	2	0	0	0	113	T10 T11 G12 E13 Y37	T10-N39 PolarHBondContact O-OD1 2.7Å; T11-N39 WeakPolarHBondContact CA-OD1 3.45Å; T11-N39 PolarHBondContact O-OD1 3.26Å; G12-N39 PolarHBondContact N-OD1 2.67Å; E13-N39 PolarHBondContact OE1-ND2 2.58Å; Y37-N39 HydrophobicContact CD1-CB 3.96Å; Y37-N39 HydrophobicContact CE1-CB 3.51Å
40	S	89.3	Confident	93.7	Very high	16 Å²	16	41.6 Å²	41.6	11%	0.112	21%	0.209	C	C	.	.	S	Bend	trans	-100.3	164.1	178.5	84.5	0	0	0	0	112.7	N38 E42 P67	N38-S40 VanDerWaalsContact C-N 3.25Å; N38-S40 PolarHBondContact O-N 2.88Å; N38-S40 WeakPolarHBondContact OD1-CB 3.41Å; N38-S40 PolarHBondContact OD1-N 3.12Å; N38-S40 PolarHBondContact OD1-OG 2.89Å; S40-E42 VanDerWaalsContact C-N 3.25Å; S40-E42 PolarHBondContact OG-N 3.19Å; S40-E42 PolarHBondContact OG-O 3.23Å; S40-P67 WeakPolarHBondContact O-CA 3.32Å; S40-P67 WeakPolarHBondContact O-CB 3.45Å
41	T	90.3	Very high	93.7	Very high	103 Å²	103	44 Å²	44	63%	0.632	23%	0.225	S	C	*	.	S	Bend	trans	-79.1	-6.6	171.5	55.5	0	0	0	0	113.3	P67 F68	T41-P67 WeakPolarHBondContact O-CG 3.27Å; T41-F68 HydrophobicContact CG2-CE2 4.02Å; T41-F68 HydrophobicContact CG2-CZ 3.67Å
42	E	89.6	Confident	93.6	Very high	29 Å²	29	38.4 Å²	38.4	14%	0.136	20%	0.196	C	C	.	.	S	Bend	trans	-108.4	155.6	-174.9	-62.8	-170	161.3	0	0	110.5	R8 N38 S40 V97 R100	R8-E42 IonicContact CZ-OE2 3.18Å; R8-E42 IonicContact NH1-OE2 2.7Å; R8-E42 PolarHBondContact NH1-OE2 3.06Å; R8-E42 IonicContact NH2-OE1 3.85Å; R8-E42 IonicContact NH2-OE2 3.24Å; R8-E42 PolarHBondContact NH2-OE2 3.22Å; N38-E42 PolarHBondContact ND2-O 3Å; S40-E42 VanDerWaalsContact C-N 3.25Å; S40-E42 PolarHBondContact OG-N 3.19Å; S40-E42 PolarHBondContact OG-O 3.23Å; E42-V97 HydrophobicContact CB-CG1 3.53Å; E42-V97 HydrophobicContact CG-CG1 4.35Å; E42-V97 WeakPolarHBondContact OE2-CG1 3.37Å; E42-R100 WeakPolarHBondContact OE1-CG 3.13Å; E42-R100 IonicContact OE1-CZ 3.8Å; E42-R100 IonicContact OE1-NE 2.97Å; E42-R100 PolarHBondContact OE1-NE 2.94Å; E42-R100 IonicContact OE1-NH2 3.72Å
43	W	91.6	Very high	93.6	Very high	102 Å²	102	41.3 Å²	41.3	39%	0.386	21%	0.213	S	C	.	.			trans	-68.5	141.1	172.4	-77	75.6	0	0	0	109.7	F64 Q66 L98 A104	W43-F64 HydrophobicContact CE3-CB 3.9Å; W43-F64 HydrophobicContact CZ3-CB 4.06Å; W43-Q66 HydrophobicContact CD2-CG 4.25Å; W43-Q66 HydrophobicContact CE3-CG 3.93Å; W43-Q66 HydrophobicContact CH2-CG 3.22Å; W43-Q66 HydrophobicContact CZ2-CG 3.51Å; W43-Q66 HydrophobicContact CZ3-CB 4.48Å; W43-Q66 HydrophobicContact CZ3-CG 3.42Å; W43-Q66 VanDerWaalsContact CZ3-CG 3.42Å; W43-L98 HydrophobicContact CB-CB 4.27Å; W43-L98 HydrophobicContact CB-CD2 4.18Å; W43-L98 PolarHBondContact O-N 2.64Å; W43-A104 HydrophobicContact CE3-CB 4.35Å; W43-A104 HydrophobicContact CZ3-CB 4.24Å
44	T	91.5	Very high	93.4	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.1	179.5	-64.1	0	0	0	0	110	N38 F64 L65 A95 H96	N38-T44 PolarHBondContact ND2-OG1 2.78Å; T44-F64 CarbonylContact O-C 3.52Å; T44-F64 WeakPolarHBondContact O-CA 3.4Å; T44-L65 PolarHBondContact N-O 3.38Å; T44-L65 PolarHBondContact O-N 3.07Å; T44-A95 HydrophobicContact CG2-CB 3.94Å; T44-H96 CarbonylContact C-O 3.54Å; T44-H96 WeakPolarHBondContact CA-O 3.39Å
45	A	93.2	Very high	93.1	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	140.9	166.8	0	0	0	0	0	109.6	G63 F64 A95 H96 L98 Y110 W111	A45-G63 WeakPolarHBondContact CA-O 3.49Å; A45-F64 HydrophobicContact CB-CD1 3.89Å; A45-F64 HydrophobicContact CB-CE1 3.91Å; A45-A95 WeakPolarHBondContact O-CA 3.27Å; A45-H96 PolarHBondContact N-O 2.82Å; A45-H96 PolarHBondContact O-N 3.12Å; A45-L98 HydrophobicContact CB-CD1 3.64Å; A45-Y110 HydrophobicContact CB-CD1 3.8Å; A45-Y110 HydrophobicContact CB-CE1 3.27Å; A45-W111 HydrophobicContact CB-CZ2 3.73Å
46	Y	94.1	Very high	92.9	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.016	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.2	172	69.6	-86.8	0	0	0	111.7	L36 L48 P60 Y62 G63 L65 I73 V94 W111	L36-Y46 HydrophobicContact CD1-CD1 4.23Å; L36-Y46 HydrophobicContact CD1-CD2 3.54Å; L36-Y46 HydrophobicContact CD1-CE2 3.97Å; L36-Y46 HydrophobicContact CD1-CG 3.68Å; Y46-L48 HydrophobicContact CD2-CD1 3.59Å; Y46-L48 HydrophobicContact CE2-CD1 3.67Å; Y46-P60 WeakPolarHBondContact OH-CG 3.12Å; Y46-Y62 VanDerWaalsContact O-CA 3.23Å; Y46-Y62 WeakPolarHBondContact O-CA 3.26Å; Y46-Y62 WeakPolarHBondContact O-CB 3.41Å; Y46-G63 VanDerWaalsContact CD1-C 3.41Å; Y46-G63 VanDerWaalsContact CD1-O 3.26Å; Y46-G63 WeakPolarHBondContact CD1-O 3.39Å; Y46-G63 VanDerWaalsContact CE1-CA 3.42Å; Y46-G63 PolarHBondContact N-O 3.08Å; Y46-G63 PolarHBondContact O-N 2.9Å; Y46-L65 HydrophobicContact CD1-CD1 4.3Å; Y46-L65 HydrophobicContact CD1-CD2 4.01Å; Y46-L65 HydrophobicContact CD1-CG 3.71Å; Y46-L65 HydrophobicContact CE1-CD2 3.91Å; Y46-L65 HydrophobicContact CE1-CG 4.09Å; Y46-I73 HydrophobicContact CE2-CD1 3.69Å; Y46-V94 CarbonylContact C-O 3.52Å; Y46-V94 VanDerWaalsContact CA-O 3.24Å; Y46-V94 WeakPolarHBondContact CA-O 3.19Å; Y46-W111 PolarHBondContact O-NE1 3.46Å
47	K	94.8	Very high	92.9	Very high	45 Å²	45	43.7 Å²	43.7	20%	0.196	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	129.3	172.1	177.2	170.1	-175.8	167.6	0	110	V94 W111	K47-V94 PolarHBondContact N-O 2.73Å; K47-V94 PolarHBondContact O-N 2.97Å; K47-W111 HydrophobicContact CB-CD2 3.85Å; K47-W111 HydrophobicContact CB-CE3 4.24Å; K47-W111 HydrophobicContact CB-CG 4.41Å; K47-W111 HydrophobicContact CB-CH2 4.05Å; K47-W111 HydrophobicContact CB-CZ2 3.64Å; K47-W111 HydrophobicContact CB-CZ3 4.33Å; K47-W111 HydrophobicContact CD-CD2 3.98Å; K47-W111 HydrophobicContact CD-CE3 4.07Å; K47-W111 HydrophobicContact CD-CG 4.16Å
48	L	95.3	Very high	93	Very high	15 Å²	15	41.9 Å²	41.9	8%	0.079	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	138.9	176.9	-61.4	98.2	0	0	0	110.4	I34 Y46 F58 G61 I73 T92 V93	I34-L48 HydrophobicContact CD1-CD2 3.76Å; Y46-L48 HydrophobicContact CD2-CD1 3.59Å; Y46-L48 HydrophobicContact CE2-CD1 3.67Å; L48-F58 HydrophobicContact CB-CB 4.14Å; L48-F58 HydrophobicContact CB-CD1 4.05Å; L48-F58 HydrophobicContact CB-CD2 3.55Å; L48-F58 HydrophobicContact CB-CE1 4.35Å; L48-F58 HydrophobicContact CB-CE2 3.88Å; L48-F58 HydrophobicContact CB-CG 3.64Å; L48-F58 HydrophobicContact CB-CZ 4.27Å; L48-F58 HydrophobicContact CD2-CB 4.3Å; L48-F58 HydrophobicContact CD2-CD1 3.48Å; L48-F58 VanDerWaalsContact CD2-CD1 3.48Å; L48-F58 HydrophobicContact CD2-CE1 3.86Å; L48-F58 HydrophobicContact CD2-CG 3.86Å; L48-F58 HydrophobicContact CG-CD1 4.34Å; L48-F58 HydrophobicContact CG-CG 4.26Å; L48-G61 VanDerWaalsContact CD1-O 3.3Å; L48-G61 WeakPolarHBondContact CD1-O 3.15Å; L48-G61 PolarHBondContact N-O 2.9Å; L48-I73 HydrophobicContact CD1-CG2 4.19Å; L48-I73 HydrophobicContact CD2-CG2 3.95Å; L48-T92 WeakPolarHBondContact CA-O 3.43Å; L48-V93 HydrophobicContact CD2-CG2 4.25Å; L48-V93 HydrophobicContact CG-CG2 4.46Å
49	K	95	Very high	93.1	Very high	102 Å²	102	49.3 Å²	49.3	44%	0.443	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	152.4	177	-61.9	-175.5	178.2	-175.5	0	109.2	C91 T92 V94	K49-C91 CarbonylContact O-C 3.56Å; K49-C91 VanDerWaalsContact O-CA 3.31Å; K49-C91 WeakPolarHBondContact O-CA 3.17Å; K49-T92 PolarHBondContact N-O 2.81Å; K49-T92 PolarHBondContact O-N 2.98Å; K49-V94 HydrophobicContact CD-CG2 4.13Å
50	T	95.1	Very high	93.4	Very high	30 Å²	30	49.5 Å²	49.5	18%	0.184	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	151.7	175.6	176.9	0	0	0	0	109.8	S52 P53 V56 F58 R90	T50-S52 VanDerWaalsContact C-N 3.3Å; T50-S52 PolarHBondContact OG1-N 3.32Å; T50-S52 VanDerWaalsContact OG1-N 3.13Å; T50-P53 HydrophobicContact CG2-CB 4.09Å; T50-V56 HydrophobicContact CG2-CB 4.18Å; T50-F58 HydrophobicContact CG2-CE2 3.95Å; T50-R90 CarbonylContact C-O 3.58Å; T50-R90 WeakPolarHBondContact CA-O 3.39Å
51	T	93.1	Very high	93.7	Very high	75 Å²	75	49.8 Å²	49.8	46%	0.46	26%	0.264	S	S	.	.	S	Bend	trans	-72.6	-21.7	169.4	44.2	0	0	0	0	113.3	P53 E89 R90	T51-P53 WeakPolarHBondContact O-CD 3.41Å; T51-E89 PolarHBondContact OG1-OE2 2.86Å; T51-R90 HydrophobicContact CG2-CB 3.87Å; T51-R90 PolarHBondContact N-O 3.47Å; T51-R90 PolarHBondContact OG1-N 3.34Å; T51-R90 PolarHBondContact OG1-O 3.15Å
52	S	91.9	Very high	93.9	Very high	7 Å²	7	49.5 Å²	49.5	5%	0.049	25%	0.252	C	S	.	.			trans	-124	74.9	178.5	-79.7	0	0	0	0	111.6	T50 A54 E55 V56 R87 E89	T50-S52 VanDerWaalsContact C-N 3.3Å; T50-S52 PolarHBondContact OG1-N 3.32Å; T50-S52 VanDerWaalsContact OG1-N 3.13Å; S52-A54 PolarHBondContact O-N 3Å; S52-E55 PolarHBondContact O-N 2.92Å; S52-V56 PolarHBondContact O-N 2.85Å; S52-R87 PolarHBondContact OG-NH1 2.82Å; S52-R87 PolarHBondContact OG-NH2 3.09Å; S52-E89 VanDerWaalsContact CB-OE1 3.31Å; S52-E89 WeakPolarHBondContact CB-OE1 3.41Å; S52-E89 WeakPolarHBondContact CB-OE2 3.01Å; S52-E89 PolarHBondContact OG-OE1 2.86Å; S52-E89 PolarHBondContact OG-OE2 3.02Å
53	P	93.6	Very high	94.2	Very high	81 Å²	81	48.5 Å²	48.5	53%	0.526	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-15.2	-180	28.6	-36	0	0	0	113.3	T50 T51 K57	T50-P53 HydrophobicContact CG2-CB 4.09Å; T51-P53 WeakPolarHBondContact O-CD 3.41Å; P53-K57 WeakPolarHBondContact O-CD 3.38Å; P53-K57 WeakPolarHBondContact O-CE 3.36Å; P53-K57 PolarHBondContact O-NZ 2.93Å
54	A	91	Very high	94.3	Very high	75 Å²	75	45.5 Å²	45.5	62%	0.62	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-43.2	172.1	0	0	0	0	0	111.2	S52	S52-A54 PolarHBondContact O-N 3Å
55	E	90.8	Very high	94.4	Very high	4 Å²	4	46 Å²	46	2%	0.019	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-39.8	-172.9	-62.9	176.1	-123.9	0	0	112.4	S52 C77 T78 R79 L80 Q83	S52-E55 PolarHBondContact O-N 2.92Å; E55-C77 CarbonylContact O-C 3.48Å; E55-C77 VanDerWaalsContact O-CA 3.28Å; E55-C77 WeakPolarHBondContact O-CA 3.24Å; E55-T78 WeakPolarHBondContact CA-O 3.5Å; E55-T78 VanDerWaalsContact CB-O 3.27Å; E55-T78 WeakPolarHBondContact CB-O 3.22Å; E55-T78 VanDerWaalsContact CG-O 3.29Å; E55-T78 WeakPolarHBondContact CG-O 3.3Å; E55-T78 PolarHBondContact O-N 2.88Å; E55-R79 WeakPolarHBondContact OE2-CA 3.44Å; E55-L80 HydrophobicContact CG-CD1 4.2Å; E55-L80 HydrophobicContact CG-CG 4.07Å; E55-Q83 PolarHBondContact OE1-NE2 3.35Å; E55-Q83 PolarHBondContact OE1-OE1 2.9Å; E55-Q83 VanDerWaalsContact OE1-OE1 3.12Å
56	V	93.8	Very high	94.4	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120.4	-174.2	-176.5	0	0	0	0	110.6	T50 S52 F58 I75 R76	T50-V56 HydrophobicContact CG2-CB 4.18Å; S52-V56 PolarHBondContact O-N 2.85Å; V56-F58 HydrophobicContact CG1-CE1 4.09Å; V56-F58 HydrophobicContact CG1-CE2 4.22Å; V56-F58 HydrophobicContact CG1-CZ 3.78Å; V56-I75 HydrophobicContact CG1-CG2 3.8Å; V56-R76 CarbonylContact C-O 3.56Å; V56-R76 WeakPolarHBondContact CA-O 3.27Å
57	K	96.2	Very high	94.4	Very high	111 Å²	111	51.9 Å²	51.9	48%	0.483	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.9	176.9	-56.1	-64.4	-171.5	-178.7	0	111.1	P53 I75 R76	P53-K57 WeakPolarHBondContact O-CD 3.38Å; P53-K57 WeakPolarHBondContact O-CE 3.36Å; P53-K57 PolarHBondContact O-NZ 2.93Å; K57-I75 WeakPolarHBondContact O-CA 3.39Å; K57-R76 HydrophobicContact CB-CB 4.27Å; K57-R76 PolarHBondContact N-O 2.83Å; K57-R76 PolarHBondContact O-N 3.38Å
58	F	97.2	Very high	94.4	Very high	27 Å²	27	55.2 Å²	55.2	12%	0.118	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	140.4	177.1	-55.2	-75.4	0	0	0	111.5	L48 T50 V56 G61 I73 L74 I75 C91	L48-F58 HydrophobicContact CB-CB 4.14Å; L48-F58 HydrophobicContact CB-CD1 4.05Å; L48-F58 HydrophobicContact CB-CD2 3.55Å; L48-F58 HydrophobicContact CB-CE1 4.35Å; L48-F58 HydrophobicContact CB-CE2 3.88Å; L48-F58 HydrophobicContact CB-CG 3.64Å; L48-F58 HydrophobicContact CB-CZ 4.27Å; L48-F58 HydrophobicContact CD2-CB 4.3Å; L48-F58 HydrophobicContact CD2-CD1 3.48Å; L48-F58 VanDerWaalsContact CD2-CD1 3.48Å; L48-F58 HydrophobicContact CD2-CE1 3.86Å; L48-F58 HydrophobicContact CD2-CG 3.86Å; L48-F58 HydrophobicContact CG-CD1 4.34Å; L48-F58 HydrophobicContact CG-CG 4.26Å; T50-F58 HydrophobicContact CG2-CE2 3.95Å; V56-F58 HydrophobicContact CG1-CE1 4.09Å; V56-F58 HydrophobicContact CG1-CE2 4.22Å; V56-F58 HydrophobicContact CG1-CZ 3.78Å; F58-G61 PolarHBondContact O-N 2.75Å; F58-I73 HydrophobicContact CB-CG2 4.28Å; F58-L74 CarbonylContact C-O 3.5Å; F58-L74 WeakPolarHBondContact CA-O 3.41Å; F58-I75 HydrophobicContact CD1-CD1 4.18Å; F58-I75 HydrophobicContact CD1-CG1 3.91Å; F58-I75 HydrophobicContact CD1-CG2 4.23Å; F58-I75 HydrophobicContact CE1-CD1 3.98Å; F58-I75 HydrophobicContact CE1-CG1 4.15Å; F58-I75 HydrophobicContact CE1-CG2 4.09Å; F58-C91 HydrophobicContact CZ-CB 4.07Å
59	R	96.8	Very high	94.4	Very high	155 Å²	155	62.1 Å²	62.1	59%	0.585	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.1	116.4	172.3	-71.3	-159.4	178.2	169	1.4	112.3	L74	R59-L74 PolarHBondContact N-O 2.84Å; R59-L74 PolarHBondContact O-N 2.9Å
60	P	96.6	Very high	94.4	Very high	54 Å²	54	62.1 Å²	62.1	35%	0.351	32%	0.315	S	S	.	.	S	Bend	cis	-67.8	146.3	-13.8	30.2	-36.7	0	0	0	112.2	Y46 I73	Y46-P60 WeakPolarHBondContact OH-CG 3.12Å; P60-I73 HydrophobicContact CG-CD1 3.74Å; P60-I73 WeakPolarHBondContact O-CG2 3.4Å
61	G	96	Very high	94.5	Very high	22 Å²	22	65.3 Å²	65.3	23%	0.227	33%	0.326	C	S	.	.	S	Bend	trans	-81.4	-12.2	178.5	0	0	0	0	0	115.1	L48 F58	L48-G61 VanDerWaalsContact CD1-O 3.3Å; L48-G61 WeakPolarHBondContact CD1-O 3.15Å; L48-G61 PolarHBondContact N-O 2.9Å; F58-G61 PolarHBondContact O-N 2.75Å
62	Y	95.1	Very high	94.7	Very high	97 Å²	97	66.5 Å²	66.5	38%	0.38	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	162.2	175.6	51.2	-93.9	0	0	0	109.1	Y46 A107 Y108	Y46-Y62 VanDerWaalsContact O-CA 3.23Å; Y46-Y62 WeakPolarHBondContact O-CA 3.26Å; Y46-Y62 WeakPolarHBondContact O-CB 3.41Å; Y62-A107 HydrophobicContact CD2-CB 3.6Å; Y62-A107 HydrophobicContact CE2-CB 4.05Å; Y62-Y108 HydrophobicContact CE1-CD2 4.5Å
63	G	95.4	Very high	95	Very high	8 Å²	8	66.1 Å²	66.1	8%	0.082	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.4	-161.3	179	0	0	0	0	0	112.6	A45 Y46	A45-G63 WeakPolarHBondContact CA-O 3.49Å; Y46-G63 VanDerWaalsContact CD1-C 3.41Å; Y46-G63 VanDerWaalsContact CD1-O 3.26Å; Y46-G63 WeakPolarHBondContact CD1-O 3.39Å; Y46-G63 VanDerWaalsContact CE1-CA 3.42Å; Y46-G63 PolarHBondContact N-O 3.08Å; Y46-G63 PolarHBondContact O-N 2.9Å
64	F	94.3	Very high	95.1	Very high	39 Å²	39	66.5 Å²	66.5	17%	0.171	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	144.4	174.9	-54.9	-81.5	0	0	0	111.2	W43 T44 A45 L98 A104 V105 A107 Y110	W43-F64 HydrophobicContact CE3-CB 3.9Å; W43-F64 HydrophobicContact CZ3-CB 4.06Å; T44-F64 CarbonylContact O-C 3.52Å; T44-F64 WeakPolarHBondContact O-CA 3.4Å; A45-F64 HydrophobicContact CB-CD1 3.89Å; A45-F64 HydrophobicContact CB-CE1 3.91Å; F64-L98 HydrophobicContact CD1-CD1 3.88Å; F64-L98 HydrophobicContact CD1-CD2 3.98Å; F64-L98 HydrophobicContact CE1-CD1 4.04Å; F64-L98 HydrophobicContact CE1-CD2 3.91Å; F64-L98 HydrophobicContact CE1-CG 4.48Å; F64-A104 HydrophobicContact CD1-CB 4.34Å; F64-A104 HydrophobicContact CD2-CB 3.9Å; F64-A104 HydrophobicContact CE2-CB 4.12Å; F64-A104 HydrophobicContact CG-CB 4.02Å; F64-A104 HydrophobicContact CZ-CB 4.4Å; F64-V105 WeakPolarHBondContact CE2-O 3.4Å; F64-V105 WeakPolarHBondContact CZ-O 3.41Å; F64-A107 HydrophobicContact CD2-CB 4.04Å; F64-A107 VanDerWaalsContact CE2-CA 3.48Å; F64-A107 HydrophobicContact CE2-CB 3.46Å; F64-A107 VanDerWaalsContact CE2-CB 3.46Å; F64-A107 HydrophobicContact CZ-CB 4.03Å; F64-Y110 HydrophobicContact CE1-CD1 4.12Å; F64-Y110 HydrophobicContact CE1-CD2 4.35Å; F64-Y110 AromaticContact CE1-CG 4Å; F64-Y110 HydrophobicContact CE1-CG 4Å; F64-Y110 HydrophobicContact CZ-CD1 4.43Å; F64-Y110 HydrophobicContact CZ-CG 4.03Å
65	L	94.1	Very high	95.4	Very high	12 Å²	12	62.9 Å²	62.9	6%	0.063	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.1	170.8	-58.3	173.5	0	0	0	108.5	L36 N38 T44 Y46 K71	L36-L65 HydrophobicContact CB-CD1 3.74Å; L36-L65 HydrophobicContact CB-CD2 4.07Å; N38-L65 HydrophobicContact CB-CB 3.68Å; N38-L65 HydrophobicContact CB-CD1 4.22Å; N38-L65 PolarHBondContact ND2-O 3.26Å; T44-L65 PolarHBondContact N-O 3.38Å; T44-L65 PolarHBondContact O-N 3.07Å; Y46-L65 HydrophobicContact CD1-CD1 4.3Å; Y46-L65 HydrophobicContact CD1-CD2 4.01Å; Y46-L65 HydrophobicContact CD1-CG 3.71Å; Y46-L65 HydrophobicContact CE1-CD2 3.91Å; Y46-L65 HydrophobicContact CE1-CG 4.09Å; L65-K71 HydrophobicContact CD2-CB 3.33Å; L65-K71 HydrophobicContact CD2-CG 4.2Å
66	Q	93.1	Very high	95.6	Very high	90 Å²	90	67.9 Å²	67.9	42%	0.421	31%	0.31	S	S	.	.			trans	-64.2	153	168.8	-79.3	179.7	-1.3	0	0	110.9	N38 W43 F68 R69	N38-Q66 WeakPolarHBondContact CB-O 3.44Å; N38-Q66 PolarHBondContact ND2-O 2.74Å; W43-Q66 HydrophobicContact CD2-CG 4.25Å; W43-Q66 HydrophobicContact CE3-CG 3.93Å; W43-Q66 HydrophobicContact CH2-CG 3.22Å; W43-Q66 HydrophobicContact CZ2-CG 3.51Å; W43-Q66 HydrophobicContact CZ3-CB 4.48Å; W43-Q66 HydrophobicContact CZ3-CG 3.42Å; W43-Q66 VanDerWaalsContact CZ3-CG 3.42Å; Q66-F68 PolarHBondContact O-N 2.88Å; Q66-R69 HydrophobicContact CB-CB 3.84Å; Q66-R69 HydrophobicContact CB-CG 3.54Å; Q66-R69 PolarHBondContact O-N 2.84Å
67	P	93.3	Very high	95.6	Very high	37 Å²	37	67.7 Å²	67.7	24%	0.24	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50	132.6	169.5	-27.4	35.3	0	0	0	111.9	S40 T41 R69	S40-P67 WeakPolarHBondContact O-CA 3.32Å; S40-P67 WeakPolarHBondContact O-CB 3.45Å; T41-P67 WeakPolarHBondContact O-CG 3.27Å; P67-R69 PolarHBondContact O-N 2.89Å; P67-R69 VanDerWaalsContact O-N 3.08Å
68	F	94.4	Very high	95.3	Very high	116 Å²	116	64.4 Å²	64.4	51%	0.509	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	24.7	177.7	-47.3	-64.5	0	0	0	115.1	N38 T41 Q66	N38-F68 WeakPolarHBondContact O-CA 3.48Å; N38-F68 PolarHBondContact O-N 3.47Å; T41-F68 HydrophobicContact CG2-CE2 4.02Å; T41-F68 HydrophobicContact CG2-CZ 3.67Å; Q66-F68 PolarHBondContact O-N 2.88Å
69	R	96.1	Very high	94.7	Very high	159 Å²	159	63.4 Å²	63.4	60%	0.6	29%	0.294	S	S	*	.			trans	-111.3	150.9	175.8	-66.1	-60.6	-167.5	167.9	-0.2	111.6	Y37 N38 Q66 P67	Y37-R69 WeakPolarHBondContact CD2-O 3.44Å; N38-R69 PolarHBondContact N-O 3.16Å; N38-R69 VanDerWaalsContact N-O 3.12Å; Q66-R69 HydrophobicContact CB-CB 3.84Å; Q66-R69 HydrophobicContact CB-CG 3.54Å; Q66-R69 PolarHBondContact O-N 2.84Å; P67-R69 PolarHBondContact O-N 2.89Å; P67-R69 VanDerWaalsContact O-N 3.08Å
70	M	95.2	Very high	93.9	Very high	103 Å²	103	59.7 Å²	59.7	51%	0.507	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	145.6	173.5	-169.9	172.7	-78.9	0	0	109.9	K35 L36 Y37	K35-M70 HydrophobicContact CB-CG 3.98Å; K35-M70 HydrophobicContact CB-SD 3.83Å; K35-M70 HydrophobicContact CD-SD 3.71Å; K35-M70 HydrophobicContact CG-SD 4.14Å; L36-M70 CarbonylContact O-C 3.53Å; L36-M70 VanDerWaalsContact O-CA 3.27Å; L36-M70 WeakPolarHBondContact O-CA 3.21Å; Y37-M70 HydrophobicContact CD2-CB 4.4Å; Y37-M70 HydrophobicContact CD2-CE 4.5Å; Y37-M70 HydrophobicContact CG-CE 4.39Å
71	K	96.8	Very high	92.6	Very high	96 Å²	96	61.2 Å²	61.2	42%	0.417	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	127.1	174.2	-173.3	70.2	176	-178.2	0	109.4	K35 L36 L65 I73	K35-K71 WeakPolarHBondContact CA-O 3.27Å; L36-K71 PolarHBondContact N-O 3.21Å; L36-K71 PolarHBondContact O-N 3.26Å; L65-K71 HydrophobicContact CD2-CB 3.33Å; L65-K71 HydrophobicContact CD2-CG 4.2Å; K71-I73 HydrophobicContact CG-CD1 3.98Å
72	E	97.4	Very high	91.2	Very high	100 Å²	100	67.7 Å²	67.7	47%	0.467	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	136.2	170	-175	168.5	-153.5	0	0	110.6	S33 I34	S33-E72 WeakPolarHBondContact CB-OE1 3.42Å; S33-E72 PolarHBondContact OG-OE1 3.48Å; I34-E72 CarbonylContact O-C 3.41Å; I34-E72 WeakPolarHBondContact O-CA 3.41Å
73	I	97.5	Very high	89.6	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.8	176.1	-49.9	-62.3	0	0	0	107.6	S33 I34 L36 Y46 L48 F58 P60 K71	S33-I73 VanDerWaalsContact CA-O 3.27Å; S33-I73 WeakPolarHBondContact CA-O 3.37Å; I34-I73 HydrophobicContact CD1-CB 4.5Å; I34-I73 HydrophobicContact CG1-CB 3.84Å; I34-I73 HydrophobicContact CG1-CG1 4.33Å; I34-I73 PolarHBondContact N-O 2.82Å; I34-I73 PolarHBondContact O-N 3.1Å; L36-I73 HydrophobicContact CD1-CD1 4.22Å; L36-I73 HydrophobicContact CD1-CG1 3.86Å; L36-I73 HydrophobicContact CG-CG1 3.99Å; Y46-I73 HydrophobicContact CE2-CD1 3.69Å; L48-I73 HydrophobicContact CD1-CG2 4.19Å; L48-I73 HydrophobicContact CD2-CG2 3.95Å; F58-I73 HydrophobicContact CB-CG2 4.28Å; P60-I73 HydrophobicContact CG-CD1 3.74Å; P60-I73 WeakPolarHBondContact O-CG2 3.4Å; K71-I73 HydrophobicContact CG-CD1 3.98Å
74	L	97.2	Very high	88.1	Confident	88 Å²	88	71.6 Å²	71.6	46%	0.461	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	139.5	174.2	-62.7	177.5	0	0	0	110.1	F58 R59	F58-L74 CarbonylContact C-O 3.5Å; F58-L74 WeakPolarHBondContact CA-O 3.41Å; R59-L74 PolarHBondContact N-O 2.84Å; R59-L74 PolarHBondContact O-N 2.9Å
75	I	96.4	Very high	86.5	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	119.1	-180	-49.6	-176.2	0	0	0	107.3	I20 F22 L31 A32 I34 V56 K57 F58	I20-I75 HydrophobicContact CD1-CD1 3.38Å; I20-I75 HydrophobicContact CG1-CD1 4.4Å; F22-I75 HydrophobicContact CZ-CB 4.35Å; F22-I75 HydrophobicContact CZ-CG2 3.82Å; L31-I75 WeakPolarHBondContact CA-O 3.43Å; A32-I75 HydrophobicContact CB-CB 4.42Å; A32-I75 PolarHBondContact N-O 2.73Å; A32-I75 PolarHBondContact O-N 2.84Å; I34-I75 HydrophobicContact CB-CD1 4.39Å; I34-I75 HydrophobicContact CD1-CD1 4.27Å; I34-I75 HydrophobicContact CG1-CD1 4.01Å; I34-I75 HydrophobicContact CG2-CD1 3.69Å; V56-I75 HydrophobicContact CG1-CG2 3.8Å; K57-I75 WeakPolarHBondContact O-CA 3.39Å; F58-I75 HydrophobicContact CD1-CD1 4.18Å; F58-I75 HydrophobicContact CD1-CG1 3.91Å; F58-I75 HydrophobicContact CD1-CG2 4.23Å; F58-I75 HydrophobicContact CE1-CD1 3.98Å; F58-I75 HydrophobicContact CE1-CG1 4.15Å; F58-I75 HydrophobicContact CE1-CG2 4.09Å
76	R	94.9	Very high	85.1	Confident	108 Å²	108	84.9 Å²	84.9	41%	0.408	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.2	171.3	-75.5	173.4	179.1	-158.8	-2.7	108	T29 Q30 L31 V56 K57	T29-R76 HydrophobicContact CG2-CB 4.3Å; T29-R76 HydrophobicContact CG2-CG 4.32Å; Q30-R76 WeakPolarHBondContact O-CA 3.31Å; L31-R76 HydrophobicContact CD2-CB 4.41Å; L31-R76 HydrophobicContact CD2-CG 3.38Å; V56-R76 CarbonylContact C-O 3.56Å; V56-R76 WeakPolarHBondContact CA-O 3.27Å; K57-R76 HydrophobicContact CB-CB 4.27Å; K57-R76 PolarHBondContact N-O 2.83Å; K57-R76 PolarHBondContact O-N 3.38Å
77	C	92.8	Very high	84	Confident	0 Å²	0	85 Å²	85	0%	0	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	121.1	174.6	-169.2	0	0	0	0	109.5	F22 Q30 E55 F130	F22-C77 HydrophobicContact CD1-CB 3.66Å; F22-C77 HydrophobicContact CD2-CB 4.18Å; F22-C77 HydrophobicContact CE1-CB 3.45Å; F22-C77 VanDerWaalsContact CE1-CB 3.45Å; F22-C77 HydrophobicContact CE2-CB 4.01Å; F22-C77 HydrophobicContact CG-CB 4.02Å; F22-C77 HydrophobicContact CZ-CB 3.65Å; Q30-C77 PolarHBondContact N-O 3.45Å; Q30-C77 PolarHBondContact O-N 3.46Å; E55-C77 CarbonylContact O-C 3.48Å; E55-C77 VanDerWaalsContact O-CA 3.28Å; E55-C77 WeakPolarHBondContact O-CA 3.24Å; C77-F130 VanDerWaalsContact SG-CE1 3.59Å
78	T	90.9	Very high	83.3	Confident	42 Å²	42	86.4 Å²	86.4	26%	0.258	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	106	173.2	-50.6	0	0	0	0	107.3	T29 E55	T29-T78 PolarHBondContact OG1-OG1 3Å; E55-T78 WeakPolarHBondContact CA-O 3.5Å; E55-T78 VanDerWaalsContact CB-O 3.27Å; E55-T78 WeakPolarHBondContact CB-O 3.22Å; E55-T78 VanDerWaalsContact CG-O 3.29Å; E55-T78 WeakPolarHBondContact CG-O 3.3Å; E55-T78 PolarHBondContact O-N 2.88Å
79	R	83.6	Confident	82.9	Confident	6 Å²	6	81 Å²	81	2%	0.023	39%	0.393	C	S	.	.			trans	-79.5	131.1	-176.3	-164.5	177.2	-178.1	172.1	1.3	110.3	F26 D27 E55 D84 M85 F130	F26-R79 HydrophobicContact CD1-CB 4.11Å; F26-R79 HydrophobicContact CD1-CG 3.69Å; F26-R79 VanDerWaalsContact CE1-CD 3.45Å; F26-R79 HydrophobicContact CE1-CG 3.78Å; D27-R79 PolarHBondContact N-O 3.26Å; E55-R79 WeakPolarHBondContact OE2-CA 3.44Å; R79-D84 PolarHBondContact NH2-O 3.26Å; R79-D84 VanDerWaalsContact NH2-O 3.12Å; R79-M85 VanDerWaalsContact NH2-C 3.3Å; R79-M85 PolarHBondContact NH2-O 3.47Å; R79-F130 HydrophobicContact CB-CE1 4.45Å; R79-F130 HydrophobicContact CG-CE1 4.46Å; R79-F130 VanDerWaalsContact NH1-CB 3.28Å
80	L	80	Confident	82.7	Confident	76 Å²	76	80.6 Å²	80.6	40%	0.398	39%	0.392	S	S	.	.			trans	-86.1	141.5	177.7	-63.7	172.9	0	0	0	110.5	F26 E55 D82	F26-L80 WeakPolarHBondContact CD1-O 3.49Å; E55-L80 HydrophobicContact CG-CD1 4.2Å; E55-L80 HydrophobicContact CG-CG 4.07Å; L80-D82 PolarHBondContact O-N 2.96Å; L80-D82 VanDerWaalsContact O-N 3.11Å
81	P	70.2	Confident	82.6	Confident	86 Å²	86	75.8 Å²	75.8	56%	0.558	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-5.2	-170.2	26.1	-34	0	0	0	114.9	D27	D27-P81 WeakPolarHBondContact OD1-CD 3.23Å
82	D	67.5	Low	82.5	Confident	158 Å²	158	72.9 Å²	72.9	85%	0.845	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	14.4	-172.3	-160.1	19.7	0	0	0	113.7	L80	L80-D82 PolarHBondContact O-N 2.96Å; L80-D82 VanDerWaalsContact O-N 3.11Å
83	Q	61.4	Low	82.4	Confident	48 Å²	48	68.3 Å²	68.3	22%	0.224	34%	0.338	C	S	.	.	S	Bend	trans	-116.9	128.4	-176.3	-67.2	-163.4	21	0	0	112.5	E55 M85 R87	E55-Q83 PolarHBondContact OE1-NE2 3.35Å; E55-Q83 PolarHBondContact OE1-OE1 2.9Å; E55-Q83 VanDerWaalsContact OE1-OE1 3.12Å; Q83-M85 PolarHBondContact O-N 2.79Å; Q83-R87 VanDerWaalsContact CD-NH1 3.28Å; Q83-R87 VanDerWaalsContact OE1-CD 3.23Å
84	D	63.9	Low	82.1	Confident	139 Å²	139	68.5 Å²	68.5	74%	0.743	34%	0.339	S	S	*	.			trans	-26.3	126.8	174.5	-83.2	-40.5	0	0	0	112.7	R79 Q86 R87	R79-D84 PolarHBondContact NH2-O 3.26Å; R79-D84 VanDerWaalsContact NH2-O 3.12Å; D84-Q86 PolarHBondContact O-N 2.88Å; D84-R87 PolarHBondContact O-N 2.75Å; D84-R87 VanDerWaalsContact O-N 3.11Å
85	M	60.7	Low	81.9	Confident	146 Å²	146	64.5 Å²	64.5	72%	0.719	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-20.2	-174.4	-76.1	-167.2	136.3	0	0	113.6	R79 Q83	R79-M85 VanDerWaalsContact NH2-C 3.3Å; R79-M85 PolarHBondContact NH2-O 3.47Å; Q83-M85 PolarHBondContact O-N 2.79Å
86	Q	64.9	Low	81.6	Confident	184 Å²	184	65.1 Å²	65.1	86%	0.86	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	12	-174.8	-62.3	-178.7	18.7	0	0	115	D84 T88	D84-Q86 PolarHBondContact O-N 2.88Å; Q86-T88 PolarHBondContact O-N 3.05Å; Q86-T88 VanDerWaalsContact O-N 3.12Å
87	R	69.2	Low	81.3	Confident	93 Å²	93	60 Å²	60	35%	0.351	30%	0.302	S	S	.	.			trans	-67.7	114.4	-179.3	-167.4	175.1	177.6	-164.4	-18.3	111.4	S52 Q83 D84 E89	S52-R87 PolarHBondContact OG-NH1 2.82Å; S52-R87 PolarHBondContact OG-NH2 3.09Å; Q83-R87 VanDerWaalsContact CD-NH1 3.28Å; Q83-R87 VanDerWaalsContact OE1-CD 3.23Å; D84-R87 PolarHBondContact O-N 2.75Å; D84-R87 VanDerWaalsContact O-N 3.11Å; R87-E89 WeakPolarHBondContact CD-OE1 2.97Å; R87-E89 IonicContact CZ-OE1 2.92Å; R87-E89 IonicContact CZ-OE2 3.8Å; R87-E89 IonicContact NE-OE1 3.74Å; R87-E89 PolarHBondContact NE-OE1 2.88Å; R87-E89 IonicContact NE-OE2 3.08Å; R87-E89 IonicContact NH1-OE1 2.89Å; R87-E89 PolarHBondContact NH1-OE1 2.91Å; R87-E89 IonicContact NH2-OE1 2.76Å; R87-E89 PolarHBondContact NH2-OE1 3.27Å; R87-E89 VanDerWaalsContact NH2-OE1 3.08Å; R87-E89 IonicContact NH2-OE2 3.61Å; R87-E89 PolarHBondContact NH2-OE2 3.47Å
88	T	79	Confident	81.1	Confident	67 Å²	67	60.2 Å²	60.2	41%	0.411	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-82.6	126.9	164.3	-57.9	0	0	0	0	109.1	Q86 E127 L129	Q86-T88 PolarHBondContact O-N 3.05Å; Q86-T88 VanDerWaalsContact O-N 3.12Å; T88-E127 HydrophobicContact CG2-CB 4Å; T88-E127 HydrophobicContact CG2-CG 4.28Å; T88-L129 HydrophobicContact CG2-CD2 3.88Å
89	E	85.2	Confident	80.6	Confident	1 Å²	1	60 Å²	60	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	135.9	176.3	-68.6	-63.3	177.1	0	0	111.2	T51 S52 R87 A128 F130	T51-E89 PolarHBondContact OG1-OE2 2.86Å; S52-E89 VanDerWaalsContact CB-OE1 3.31Å; S52-E89 WeakPolarHBondContact CB-OE1 3.41Å; S52-E89 WeakPolarHBondContact CB-OE2 3.01Å; S52-E89 PolarHBondContact OG-OE1 2.86Å; S52-E89 PolarHBondContact OG-OE2 3.02Å; R87-E89 WeakPolarHBondContact CD-OE1 2.97Å; R87-E89 IonicContact CZ-OE1 2.92Å; R87-E89 IonicContact CZ-OE2 3.8Å; R87-E89 IonicContact NE-OE1 3.74Å; R87-E89 PolarHBondContact NE-OE1 2.88Å; R87-E89 IonicContact NE-OE2 3.08Å; R87-E89 IonicContact NH1-OE1 2.89Å; R87-E89 PolarHBondContact NH1-OE1 2.91Å; R87-E89 IonicContact NH2-OE1 2.76Å; R87-E89 PolarHBondContact NH2-OE1 3.27Å; R87-E89 VanDerWaalsContact NH2-OE1 3.08Å; R87-E89 IonicContact NH2-OE2 3.61Å; R87-E89 PolarHBondContact NH2-OE2 3.47Å; E89-A128 HydrophobicContact CB-CB 4Å; E89-A128 PolarHBondContact N-O 3.46Å; E89-A128 PolarHBondContact O-N 2.79Å; E89-F130 HydrophobicContact CG-CE2 4.01Å; E89-F130 HydrophobicContact CG-CZ 4.36Å
90	R	92.1	Very high	80.3	Confident	151 Å²	151	69.6 Å²	69.6	57%	0.57	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	117.3	-179.8	-60.3	-177.7	72.7	174.8	6.1	109.8	T50 T51	T50-R90 CarbonylContact C-O 3.58Å; T50-R90 WeakPolarHBondContact CA-O 3.39Å; T51-R90 HydrophobicContact CG2-CB 3.87Å; T51-R90 PolarHBondContact N-O 3.47Å; T51-R90 PolarHBondContact OG1-N 3.34Å; T51-R90 PolarHBondContact OG1-O 3.15Å
91	C	94.1	Very high	80.2	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.014	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	152.5	167.4	-63.3	0	0	0	0	109.6	K49 F58 L126	K49-C91 CarbonylContact O-C 3.56Å; K49-C91 VanDerWaalsContact O-CA 3.31Å; K49-C91 WeakPolarHBondContact O-CA 3.17Å; F58-C91 HydrophobicContact CZ-CB 4.07Å; C91-L126 CarbonylContact C-O 3.59Å; C91-L126 WeakPolarHBondContact CA-O 3.19Å; C91-L126 HydrophobicContact CB-CB 3.94Å; C91-L126 PolarHBondContact N-O 2.92Å; C91-L126 PolarHBondContact O-N 2.76Å
92	T	94.6	Very high	80.4	Confident	36 Å²	36	69 Å²	69	22%	0.221	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	125	176.4	-56.6	0	0	0	0	110.2	L48 K49 V94 K123 Y124	L48-T92 WeakPolarHBondContact CA-O 3.43Å; K49-T92 PolarHBondContact N-O 2.81Å; K49-T92 PolarHBondContact O-N 2.98Å; T92-V94 HydrophobicContact CG2-CG2 4.26Å; T92-K123 HydrophobicContact CG2-CB 4.02Å; T92-K123 HydrophobicContact CG2-CG 4.39Å; T92-Y124 WeakPolarHBondContact CA-O 3.4Å
93	V	94.2	Very high	80.7	Confident	4 Å²	4	70 Å²	70	2%	0.024	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	118.2	166.8	-174.2	0	0	0	0	107.9	V14 I34 L36 L48 K123 Y124 L126	V14-V93 HydrophobicContact CG1-CG2 4.35Å; V14-V93 HydrophobicContact CG2-CB 4.38Å; V14-V93 HydrophobicContact CG2-CG2 4.27Å; I34-V93 HydrophobicContact CD1-CG2 4.18Å; L36-V93 HydrophobicContact CD1-CG1 4.26Å; L36-V93 HydrophobicContact CD2-CG1 3.98Å; L36-V93 HydrophobicContact CD2-CG2 4.01Å; L48-V93 HydrophobicContact CD2-CG2 4.25Å; L48-V93 HydrophobicContact CG-CG2 4.46Å; V93-K123 CarbonylContact O-C 3.58Å; V93-K123 WeakPolarHBondContact O-CA 3.38Å; V93-Y124 HydrophobicContact CB-CD2 4.2Å; V93-Y124 HydrophobicContact CG1-CD2 4.37Å; V93-Y124 PolarHBondContact N-O 3.28Å; V93-Y124 PolarHBondContact O-N 2.92Å; V93-L126 HydrophobicContact CG2-CD1 4.1Å
94	V	92.2	Very high	81.1	Confident	3 Å²	3	70 Å²	70	2%	0.018	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.1	171.3	-177.1	0	0	0	0	107.5	Y46 K47 K49 T92 W111 V120	Y46-V94 CarbonylContact C-O 3.52Å; Y46-V94 VanDerWaalsContact CA-O 3.24Å; Y46-V94 WeakPolarHBondContact CA-O 3.19Å; K47-V94 PolarHBondContact N-O 2.73Å; K47-V94 PolarHBondContact O-N 2.97Å; K49-V94 HydrophobicContact CD-CG2 4.13Å; T92-V94 HydrophobicContact CG2-CG2 4.26Å; V94-W111 HydrophobicContact CG1-CH2 4.02Å; V94-W111 HydrophobicContact CG1-CZ3 4.31Å; V94-V120 HydrophobicContact CG1-CB 4.41Å; V94-V120 HydrophobicContact CG1-CG1 3.61Å; V94-V120 HydrophobicContact CG1-CG2 3.94Å
95	A	91.7	Very high	82	Confident	5 Å²	5	67.9 Å²	67.9	4%	0.041	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.2	176.7	0	0	0	0	0	110.6	T44 A45 D121 K122 Y124	T44-A95 HydrophobicContact CG2-CB 3.94Å; A45-A95 WeakPolarHBondContact O-CA 3.27Å; A95-D121 PolarHBondContact O-N 2.79Å; A95-K122 PolarHBondContact N-O 2.91Å; A95-K122 PolarHBondContact O-N 3.22Å; A95-Y124 HydrophobicContact CB-CE2 3.86Å
96	H	90.2	Very high	83.4	Confident	13 Å²	13	65 Å²	65	6%	0.06	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	128.4	173.1	-179.1	-86.1	0	0	0	110.2	T44 A45 Y110 W111 M114 L119 D121	T44-H96 CarbonylContact C-O 3.54Å; T44-H96 WeakPolarHBondContact CA-O 3.39Å; A45-H96 PolarHBondContact N-O 2.82Å; A45-H96 PolarHBondContact O-N 3.12Å; H96-Y110 PolarHBondContact CE1-OH 2.95Å; H96-Y110 PolarHBondContact ND1-OH 3Å; H96-W111 HydrophobicContact CB-CH2 4.23Å; H96-M114 HydrophobicContact CB-CE 4.21Å; H96-M114 VanDerWaalsContact CD2-CE 3.41Å; H96-M114 WeakPolarHBondContact CD2-CE 3.34Å; H96-M114 WeakPolarHBondContact CE1-CE 3.38Å; H96-M114 WeakPolarHBondContact ND1-CE 3.31Å; H96-M114 VanDerWaalsContact NE2-CE 3.27Å; H96-M114 WeakPolarHBondContact NE2-CE 3.17Å; H96-L119 PolarHBondContact CD2-O 3.25Å; H96-D121 WeakPolarHBondContact CA-OD2 3.28Å; H96-D121 IonicContact CD2-OD1 3.46Å; H96-D121 IonicContact CD2-OD2 3.9Å; H96-D121 PolarHBondContact CD2-OD2 3.34Å; H96-D121 IonicContact CG-OD2 2.87Å; H96-D121 IonicContact NE2-OD2 3.37Å
97	V	89.1	Confident	84.7	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	123.9	-179.2	-169.9	0	0	0	0	108.8	T11 E42 D121	T11-V97 HydrophobicContact CG2-CG2 3.36Å; T11-V97 WeakPolarHBondContact OG1-CG2 3.39Å; E42-V97 HydrophobicContact CB-CG1 3.53Å; E42-V97 HydrophobicContact CG-CG1 4.35Å; E42-V97 WeakPolarHBondContact OE2-CG1 3.37Å; V97-D121 WeakPolarHBondContact CG2-OD2 3.34Å; V97-D121 PolarHBondContact N-OD2 3.27Å
98	L	87.6	Confident	85.7	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.026	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-64.9	134.7	-179.5	-85.6	66.2	0	0	0	110	W43 A45 F64 V102 Y110	W43-L98 HydrophobicContact CB-CB 4.27Å; W43-L98 HydrophobicContact CB-CD2 4.18Å; W43-L98 PolarHBondContact O-N 2.64Å; A45-L98 HydrophobicContact CB-CD1 3.64Å; F64-L98 HydrophobicContact CD1-CD1 3.88Å; F64-L98 HydrophobicContact CD1-CD2 3.98Å; F64-L98 HydrophobicContact CE1-CD1 4.04Å; F64-L98 HydrophobicContact CE1-CD2 3.91Å; F64-L98 HydrophobicContact CE1-CG 4.48Å; L98-V102 HydrophobicContact CD2-CG1 4.29Å; L98-Y110 HydrophobicContact CG-CE2 4.25Å
99	P	80.8	Confident	86.2	Confident	37 Å²	37	59.1 Å²	59.1	24%	0.24	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-57.5	145.8	170.1	-20.7	31.1	0	0	0	110.7	F3 G101 V102	F3-P99 HydrophobicContact CE1-CG 4.09Å; P99-G101 PolarHBondContact O-N 3.13Å; P99-V102 HydrophobicContact CB-CG2 3.91Å; P99-V102 HydrophobicContact CG-CG2 4.1Å; P99-V102 WeakPolarHBondContact O-CB 3.49Å; P99-V102 PolarHBondContact O-N 3.49Å; P99-V102 VanDerWaalsContact O-N 3.1Å
100	R	78.6	Confident	86.4	Confident	208 Å²	208	60.2 Å²	60.2	79%	0.785	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	134.6	177	-66.9	-175.7	-178.9	-173.1	-2.1	110.3	E42 V102	E42-R100 WeakPolarHBondContact OE1-CG 3.13Å; E42-R100 IonicContact OE1-CZ 3.8Å; E42-R100 IonicContact OE1-NE 2.97Å; E42-R100 PolarHBondContact OE1-NE 2.94Å; E42-R100 IonicContact OE1-NH2 3.72Å; R100-V102 VanDerWaalsContact C-N 3.32Å
101	G	76.5	Confident	86.3	Confident	81 Å²	81	54 Å²	54	84%	0.835	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	-13.1	-178.4	0	0	0	0	0	115	P99 K103	P99-G101 PolarHBondContact O-N 3.13Å; G101-K103 PolarHBondContact O-N 2.84Å
102	V	75.6	Confident	85.9	Confident	67 Å²	67	59.9 Å²	59.9	41%	0.406	32%	0.315	S	S	.	.			trans	-74	113.6	170.2	178.9	0	0	0	0	108.2	L98 P99 R100	L98-V102 HydrophobicContact CD2-CG1 4.29Å; P99-V102 HydrophobicContact CB-CG2 3.91Å; P99-V102 HydrophobicContact CG-CG2 4.1Å; P99-V102 WeakPolarHBondContact O-CB 3.49Å; P99-V102 PolarHBondContact O-N 3.49Å; P99-V102 VanDerWaalsContact O-N 3.1Å; R100-V102 VanDerWaalsContact C-N 3.32Å
103	K	73.4	Confident	85.5	Confident	180 Å²	180	61.7 Å²	61.7	78%	0.783	33%	0.329	S	S	*	.			trans	-70.1	143.7	170.3	-67.1	-174.9	178.9	-179.2	0	108.8	G101 V105	G101-K103 PolarHBondContact O-N 2.84Å; K103-V105 VanDerWaalsContact C-N 3.33Å; K103-V105 PolarHBondContact O-N 3.46Å
104	A	68.9	Low	84.9	Confident	47 Å²	47	62.5 Å²	62.5	39%	0.388	33%	0.333	S	S	.	.			trans	-62.5	98.7	167.3	0	0	0	0	0	108.1	W43 F64	W43-A104 HydrophobicContact CE3-CB 4.35Å; W43-A104 HydrophobicContact CZ3-CB 4.24Å; F64-A104 HydrophobicContact CD1-CB 4.34Å; F64-A104 HydrophobicContact CD2-CB 3.9Å; F64-A104 HydrophobicContact CE2-CB 4.12Å; F64-A104 HydrophobicContact CG-CB 4.02Å; F64-A104 HydrophobicContact CZ-CB 4.4Å
105	V	82.6	Confident	83.8	Confident	96 Å²	96	68.1 Å²	68.1	58%	0.582	36%	0.361	S	S	*	.			trans	-78.4	-175	167.5	-173.1	0	0	0	0	107.6	F64 K103 A107	F64-V105 WeakPolarHBondContact CE2-O 3.4Å; F64-V105 WeakPolarHBondContact CZ-O 3.41Å; K103-V105 VanDerWaalsContact C-N 3.33Å; K103-V105 PolarHBondContact O-N 3.46Å; V105-A107 PolarHBondContact O-N 3.31Å
106	D	90.5	Very high	82.3	Confident	84 Å²	84	76.8 Å²	76.8	45%	0.449	40%	0.398	S	S	.	.			trans	-48.6	133.5	166.6	175.7	-100	0	0	0	111.9	Y108 D109 Y110	D106-Y108 VanDerWaalsContact C-N 3.32Å; D106-Y108 PolarHBondContact O-N 2.93Å; D106-Y108 WeakPolarHBondContact OD1-CA 3.46Å; D106-Y108 WeakPolarHBondContact OD1-CB 3.39Å; D106-Y108 PolarHBondContact OD1-N 3.29Å; D106-D109 HydrophobicContact CB-CB 4.37Å; D106-D109 PolarHBondContact O-N 3.25Å; D106-D109 PolarHBondContact OD1-N 2.79Å; D106-Y110 PolarHBondContact O-N 2.8Å
107	A	92	Very high	81.4	Confident	12 Å²	12	78.9 Å²	78.9	10%	0.099	41%	0.411	C	S	.	.	H	α-helix	trans	-71.6	-29.8	-173.1	0	0	0	0	0	112.1	Y62 F64 V105 W111	Y62-A107 HydrophobicContact CD2-CB 3.6Å; Y62-A107 HydrophobicContact CE2-CB 4.05Å; F64-A107 HydrophobicContact CD2-CB 4.04Å; F64-A107 VanDerWaalsContact CE2-CA 3.48Å; F64-A107 HydrophobicContact CE2-CB 3.46Å; F64-A107 VanDerWaalsContact CE2-CB 3.46Å; F64-A107 HydrophobicContact CZ-CB 4.03Å; V105-A107 PolarHBondContact O-N 3.31Å; A107-W111 PolarHBondContact O-N 3.08Å; A107-W111 VanDerWaalsContact O-N 3.09Å
108	Y	90.4	Very high	80.4	Confident	123 Å²	123	89.1 Å²	89.1	48%	0.482	46%	0.456	S	S	.	.	H	α-helix	trans	-68	-47.5	177.1	173.7	-94.9	0	0	0	110.4	Y62 D106 Y110 W111 K112	Y62-Y108 HydrophobicContact CE1-CD2 4.5Å; D106-Y108 VanDerWaalsContact C-N 3.32Å; D106-Y108 PolarHBondContact O-N 2.93Å; D106-Y108 WeakPolarHBondContact OD1-CA 3.46Å; D106-Y108 WeakPolarHBondContact OD1-CB 3.39Å; D106-Y108 PolarHBondContact OD1-N 3.29Å; Y108-Y110 VanDerWaalsContact C-N 3.35Å; Y108-Y110 PolarHBondContact O-N 2.81Å; Y108-W111 PolarHBondContact O-N 3.18Å; Y108-K112 HydrophobicContact CE1-CD 4.3Å; Y108-K112 WeakPolarHBondContact O-CB 3.39Å; Y108-K112 PolarHBondContact O-N 3.49Å
109	D	89.5	Confident	79.5	Confident	86 Å²	86	91.3 Å²	91.3	46%	0.46	47%	0.467	S	S	.	.	H	α-helix	trans	-62	-42.5	176.9	-72.5	-23.9	0	0	0	112.1	D106 W111 K112 S113	D106-D109 HydrophobicContact CB-CB 4.37Å; D106-D109 PolarHBondContact O-N 3.25Å; D106-D109 PolarHBondContact OD1-N 2.79Å; D109-W111 PolarHBondContact O-N 2.81Å; D109-K112 PolarHBondContact O-N 2.87Å; D109-S113 PolarHBondContact O-N 3.11Å; D109-S113 PolarHBondContact O-OG 2.96Å
110	Y	90	Very high	79	Confident	25 Å²	25	92.5 Å²	92.5	10%	0.098	47%	0.474	C	S	.	.	H	α-helix	trans	-54.4	-54.7	173.6	178.9	-95.5	0	0	0	111.1	A45 F64 H96 L98 D106 Y108 K112 S113 M114	A45-Y110 HydrophobicContact CB-CD1 3.8Å; A45-Y110 HydrophobicContact CB-CE1 3.27Å; F64-Y110 HydrophobicContact CE1-CD1 4.12Å; F64-Y110 HydrophobicContact CE1-CD2 4.35Å; F64-Y110 AromaticContact CE1-CG 4Å; F64-Y110 HydrophobicContact CE1-CG 4Å; F64-Y110 HydrophobicContact CZ-CD1 4.43Å; F64-Y110 HydrophobicContact CZ-CG 4.03Å; H96-Y110 PolarHBondContact CE1-OH 2.95Å; H96-Y110 PolarHBondContact ND1-OH 3Å; L98-Y110 HydrophobicContact CG-CE2 4.25Å; D106-Y110 PolarHBondContact O-N 2.8Å; Y108-Y110 VanDerWaalsContact C-N 3.35Å; Y108-Y110 PolarHBondContact O-N 2.81Å; Y110-K112 VanDerWaalsContact C-N 3.3Å; Y110-K112 PolarHBondContact O-N 2.88Å; Y110-S113 PolarHBondContact O-N 3.12Å; Y110-S113 PolarHBondContact O-OG 2.88Å; Y110-M114 HydrophobicContact CD1-CG 4.39Å; Y110-M114 HydrophobicContact CE1-CE 4.42Å; Y110-M114 HydrophobicContact CE1-CG 3.88Å; Y110-M114 WeakPolarHBondContact O-CB 3.22Å; Y110-M114 PolarHBondContact O-N 3.19Å; Y110-M114 WeakPolarHBondContact OH-CE 3.08Å
111	W	88.9	Confident	78.9	Confident	19 Å²	19	85.6 Å²	85.6	7%	0.072	45%	0.453	C	S	.	.	H	α-helix	trans	-66.9	-28.7	-178.6	-79.6	113.7	0	0	0	113.6	A45 Y46 K47 V94 H96 A107 Y108 D109 M114 M115	A45-W111 HydrophobicContact CB-CZ2 3.73Å; Y46-W111 PolarHBondContact O-NE1 3.46Å; K47-W111 HydrophobicContact CB-CD2 3.85Å; K47-W111 HydrophobicContact CB-CE3 4.24Å; K47-W111 HydrophobicContact CB-CG 4.41Å; K47-W111 HydrophobicContact CB-CH2 4.05Å; K47-W111 HydrophobicContact CB-CZ2 3.64Å; K47-W111 HydrophobicContact CB-CZ3 4.33Å; K47-W111 HydrophobicContact CD-CD2 3.98Å; K47-W111 HydrophobicContact CD-CE3 4.07Å; K47-W111 HydrophobicContact CD-CG 4.16Å; V94-W111 HydrophobicContact CG1-CH2 4.02Å; V94-W111 HydrophobicContact CG1-CZ3 4.31Å; H96-W111 HydrophobicContact CB-CH2 4.23Å; A107-W111 PolarHBondContact O-N 3.08Å; A107-W111 VanDerWaalsContact O-N 3.09Å; Y108-W111 PolarHBondContact O-N 3.18Å; D109-W111 PolarHBondContact O-N 2.81Å; W111-M114 HydrophobicContact CE3-CB 4.2Å; W111-M115 WeakPolarHBondContact O-CG 3.48Å; W111-M115 PolarHBondContact O-N 3.22Å
112	K	87.7	Confident	79.4	Confident	126 Å²	126	84.7 Å²	84.7	55%	0.548	43%	0.426	S	S	.	.	H	α-helix	trans	-68.5	-44	174.1	-171.3	179.3	178.9	-174.9	0	111.4	Y108 D109 Y110 M114 M115	Y108-K112 HydrophobicContact CE1-CD 4.3Å; Y108-K112 WeakPolarHBondContact O-CB 3.39Å; Y108-K112 PolarHBondContact O-N 3.49Å; D109-K112 PolarHBondContact O-N 2.87Å; Y110-K112 VanDerWaalsContact C-N 3.3Å; Y110-K112 PolarHBondContact O-N 2.88Å; K112-M114 VanDerWaalsContact C-N 3.33Å; K112-M115 PolarHBondContact O-N 2.67Å
113	S	84.7	Confident	80.1	Confident	74 Å²	74	88.1 Å²	88.1	52%	0.517	44%	0.435	S	S	.	.	H	α-helix	trans	-67.3	-34.3	176.4	72.9	0	0	0	0	112.8	D109 Y110 M115	D109-S113 PolarHBondContact O-N 3.11Å; D109-S113 PolarHBondContact O-OG 2.96Å; Y110-S113 PolarHBondContact O-N 3.12Å; Y110-S113 PolarHBondContact O-OG 2.88Å; S113-M115 VanDerWaalsContact C-N 3.31Å; S113-M115 PolarHBondContact O-N 2.59Å
114	M	82.3	Confident	81.1	Confident	22 Å²	22	80.9 Å²	80.9	11%	0.108	40%	0.403	C	S	.	.	H	α-helix	trans	-64.7	-27.5	178.2	-108.4	-86.2	174.7	0	0	114.4	H96 Y110 W111 K112 F116 T117 L119	H96-M114 HydrophobicContact CB-CE 4.21Å; H96-M114 VanDerWaalsContact CD2-CE 3.41Å; H96-M114 WeakPolarHBondContact CD2-CE 3.34Å; H96-M114 WeakPolarHBondContact CE1-CE 3.38Å; H96-M114 WeakPolarHBondContact ND1-CE 3.31Å; H96-M114 VanDerWaalsContact NE2-CE 3.27Å; H96-M114 WeakPolarHBondContact NE2-CE 3.17Å; Y110-M114 HydrophobicContact CD1-CG 4.39Å; Y110-M114 HydrophobicContact CE1-CE 4.42Å; Y110-M114 HydrophobicContact CE1-CG 3.88Å; Y110-M114 WeakPolarHBondContact O-CB 3.22Å; Y110-M114 PolarHBondContact O-N 3.19Å; Y110-M114 WeakPolarHBondContact OH-CE 3.08Å; W111-M114 HydrophobicContact CE3-CB 4.2Å; K112-M114 VanDerWaalsContact C-N 3.33Å; M114-F116 PolarHBondContact O-N 2.89Å; M114-T117 PolarHBondContact O-N 2.99Å; M114-T117 PolarHBondContact O-OG1 2.93Å; M114-T117 PolarHBondContact SD-OG1 2.81Å; M114-L119 HydrophobicContact CE-CB 4.46Å
115	M	68.2	Low	82.2	Confident	121 Å²	121	82.3 Å²	82.3	60%	0.596	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-25.1	-175.9	-72.1	-68.6	-166.4	0	0	113.5	W111 K112 S113 T117	W111-M115 WeakPolarHBondContact O-CG 3.48Å; W111-M115 PolarHBondContact O-N 3.22Å; K112-M115 PolarHBondContact O-N 2.67Å; S113-M115 VanDerWaalsContact C-N 3.31Å; S113-M115 PolarHBondContact O-N 2.59Å; M115-T117 VanDerWaalsContact C-N 3.32Å
116	F	60.7	Low	82.7	Confident	186 Å²	186	77.9 Å²	77.9	82%	0.816	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-7.6	179.7	-57.4	-72.6	0	0	0	113.4	M114	M114-F116 PolarHBondContact O-N 2.89Å
117	T	72	Confident	82.8	Confident	57 Å²	57	78.3 Å²	78.3	35%	0.35	38%	0.381	S	S	.	.	S	Bend	trans	-107.9	136.2	179.6	72.8	0	0	0	0	109.9	M114 M115 L119	M114-T117 PolarHBondContact O-N 2.99Å; M114-T117 PolarHBondContact O-OG1 2.93Å; M114-T117 PolarHBondContact SD-OG1 2.81Å; M115-T117 VanDerWaalsContact C-N 3.32Å; T117-L119 PolarHBondContact O-N 3.29Å; T117-L119 VanDerWaalsContact O-N 3.14Å
118	K	67.4	Low	82.7	Confident	216 Å²	216	77.7 Å²	77.7	94%	0.939	38%	0.376	S	S	*	.			trans	-79.1	19.1	173	-66.2	-177	179.4	178	0	112.5	V120	K118-V120 PolarHBondContact O-N 3.38Å; K118-V120 VanDerWaalsContact O-N 3.12Å
119	L	69.4	Low	82.7	Confident	50 Å²	50	73.6 Å²	73.6	26%	0.262	36%	0.362	S	S	.	.			trans	-86.8	81.7	-173.8	-61.4	174.3	0	0	0	109.4	F3 H96 M114 T117	F3-L119 HydrophobicContact CB-CD1 4.16Å; F3-L119 HydrophobicContact CD1-CD1 4.4Å; F3-L119 HydrophobicContact CD2-CD1 3.95Å; F3-L119 HydrophobicContact CE2-CD1 4.47Å; F3-L119 HydrophobicContact CG-CD1 3.91Å; H96-L119 PolarHBondContact CD2-O 3.25Å; M114-L119 HydrophobicContact CE-CB 4.46Å; T117-L119 PolarHBondContact O-N 3.29Å; T117-L119 VanDerWaalsContact O-N 3.14Å
120	V	70.8	Confident	82.5	Confident	63 Å²	63	70.3 Å²	70.3	38%	0.382	34%	0.344	S	S	.	.			trans	-109.3	115.9	164.4	170.6	0	0	0	0	107.2	V94 K118 K123	V94-V120 HydrophobicContact CG1-CB 4.41Å; V94-V120 HydrophobicContact CG1-CG1 3.61Å; V94-V120 HydrophobicContact CG1-CG2 3.94Å; K118-V120 PolarHBondContact O-N 3.38Å; K118-V120 VanDerWaalsContact O-N 3.12Å; V120-K123 HydrophobicContact CG1-CG 3.88Å
121	D	75.7	Confident	82.2	Confident	62 Å²	62	72.2 Å²	72.2	33%	0.332	36%	0.356	S	S	.	.			trans	-73.7	-43.4	-178.4	-67.2	-34.6	0	0	0	111.4	A95 H96 V97	A95-D121 PolarHBondContact O-N 2.79Å; H96-D121 WeakPolarHBondContact CA-OD2 3.28Å; H96-D121 IonicContact CD2-OD1 3.46Å; H96-D121 IonicContact CD2-OD2 3.9Å; H96-D121 PolarHBondContact CD2-OD2 3.34Å; H96-D121 IonicContact CG-OD2 2.87Å; H96-D121 IonicContact NE2-OD2 3.37Å; V97-D121 WeakPolarHBondContact CG2-OD2 3.34Å; V97-D121 PolarHBondContact N-OD2 3.27Å
122	K	87.4	Confident	81.7	Confident	63 Å²	63	73.8 Å²	73.8	27%	0.274	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	147.7	-177.3	-161.4	156	164.2	-153.2	0	113	A95 Y124	A95-K122 PolarHBondContact N-O 2.91Å; A95-K122 PolarHBondContact O-N 3.22Å; K122-Y124 HydrophobicContact CB-CE2 4.07Å; K122-Y124 HydrophobicContact CD-CE1 3.93Å; K122-Y124 HydrophobicContact CD-CE2 4.26Å; K122-Y124 WeakPolarHBondContact CD-OH 3.37Å; K122-Y124 VanDerWaalsContact CE-CZ 3.49Å; K122-Y124 WeakPolarHBondContact CE-OH 3.15Å; K122-Y124 HydrophobicContact CG-CD2 4.5Å; K122-Y124 HydrophobicContact CG-CE1 4.17Å; K122-Y124 HydrophobicContact CG-CE2 3.88Å; K122-Y124 VanDerWaalsContact NZ-CE1 3.28Å; K122-Y124 PolarHBondContact NZ-OH 2.84Å
123	K	90.7	Very high	80.8	Confident	138 Å²	138	73.6 Å²	73.6	60%	0.6	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.5	171.6	-63.8	-179.6	-176.7	173.4	0	108.5	T92 V93 V120	T92-K123 HydrophobicContact CG2-CB 4.02Å; T92-K123 HydrophobicContact CG2-CG 4.39Å; V93-K123 CarbonylContact O-C 3.58Å; V93-K123 WeakPolarHBondContact O-CA 3.38Å; V120-K123 HydrophobicContact CG1-CG 3.88Å
124	Y	92.5	Very high	79.5	Confident	28 Å²	28	73.2 Å²	73.2	11%	0.11	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	103.2	173.5	-52.9	-95.1	0	0	0	107.1	G12 V14 T92 V93 A95 K122	G12-Y124 VanDerWaalsContact C-OH 3.31Å; G12-Y124 WeakPolarHBondContact CA-OH 3.22Å; G12-Y124 PolarHBondContact N-OH 2.9Å; G12-Y124 WeakPolarHBondContact O-CE1 3.25Å; G12-Y124 PolarHBondContact O-OH 3.01Å; V14-Y124 HydrophobicContact CG2-CD1 3.96Å; V14-Y124 HydrophobicContact CG2-CD2 4.03Å; V14-Y124 HydrophobicContact CG2-CG 3.66Å; T92-Y124 WeakPolarHBondContact CA-O 3.4Å; V93-Y124 HydrophobicContact CB-CD2 4.2Å; V93-Y124 HydrophobicContact CG1-CD2 4.37Å; V93-Y124 PolarHBondContact N-O 3.28Å; V93-Y124 PolarHBondContact O-N 2.92Å; A95-Y124 HydrophobicContact CB-CE2 3.86Å; K122-Y124 HydrophobicContact CB-CE2 4.07Å; K122-Y124 HydrophobicContact CD-CE1 3.93Å; K122-Y124 HydrophobicContact CD-CE2 4.26Å; K122-Y124 WeakPolarHBondContact CD-OH 3.37Å; K122-Y124 VanDerWaalsContact CE-CZ 3.49Å; K122-Y124 WeakPolarHBondContact CE-OH 3.15Å; K122-Y124 HydrophobicContact CG-CD2 4.5Å; K122-Y124 HydrophobicContact CG-CE1 4.17Å; K122-Y124 HydrophobicContact CG-CE2 3.88Å; K122-Y124 VanDerWaalsContact NZ-CE1 3.28Å; K122-Y124 PolarHBondContact NZ-OH 2.84Å
125	P	93.5	Very high	78.1	Confident	77 Å²	77	77.3 Å²	77.3	50%	0.5	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	143.6	173	29.9	-32.7	0	0	0	109.6
126	L	93.2	Very high	77.4	Confident	3 Å²	3	79 Å²	79	2%	0.016	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	138.6	171.3	-70.6	172.4	0	0	0	108	V14 D18 I20 I34 C91 V93	V14-L126 HydrophobicContact CG1-CD1 3.88Å; V14-L126 HydrophobicContact CG1-CD2 4.09Å; V14-L126 HydrophobicContact CG1-CG 4.36Å; D18-L126 CarbonylContact O-C 3.58Å; D18-L126 VanDerWaalsContact O-CA 3.27Å; D18-L126 WeakPolarHBondContact O-CA 3.32Å; I20-L126 HydrophobicContact CD1-CB 4.45Å; I20-L126 HydrophobicContact CD1-CD1 4.11Å; I34-L126 HydrophobicContact CD1-CD1 3.87Å; I34-L126 HydrophobicContact CG2-CD1 4.31Å; C91-L126 CarbonylContact C-O 3.59Å; C91-L126 WeakPolarHBondContact CA-O 3.19Å; C91-L126 HydrophobicContact CB-CB 3.94Å; C91-L126 PolarHBondContact N-O 2.92Å; C91-L126 PolarHBondContact O-N 2.76Å; V93-L126 HydrophobicContact CG2-CD1 4.1Å
127	E	92.6	Very high	76.8	Confident	93 Å²	93	74.8 Å²	74.8	44%	0.435	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.2	175.3	-62.5	-168	166.4	0	0	109.5	D18 S19 I20 T88 L129	D18-E127 PolarHBondContact O-N 3.47Å; S19-E127 CarbonylContact C-O 3.5Å; S19-E127 WeakPolarHBondContact CA-O 3.48Å; I20-E127 PolarHBondContact N-O 3.47Å; T88-E127 HydrophobicContact CG2-CB 4Å; T88-E127 HydrophobicContact CG2-CG 4.28Å; E127-L129 HydrophobicContact CB-CD2 4.25Å; E127-L129 HydrophobicContact CB-CG 4.39Å
128	A	90	Very high	76	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	109.1	168.3	0	0	0	0	0	107.9	I20 F22 E89	I20-A128 CarbonylContact O-C 3.56Å; I20-A128 WeakPolarHBondContact O-CA 3.47Å; F22-A128 HydrophobicContact CD2-CB 4.2Å; F22-A128 HydrophobicContact CE2-CB 3.97Å; E89-A128 HydrophobicContact CB-CB 4Å; E89-A128 PolarHBondContact N-O 3.46Å; E89-A128 PolarHBondContact O-N 2.79Å
129	L	89.1	Confident	75.3	Confident	36 Å²	36	75.5 Å²	75.5	19%	0.188	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	141.2	-177.8	-60.2	177.3	0	0	0	109.8	I20 F22 T88 E127	I20-L129 PolarHBondContact O-N 3.39Å; F22-L129 PolarHBondContact N-O 3.12Å; T88-L129 HydrophobicContact CG2-CD2 3.88Å; E127-L129 HydrophobicContact CB-CD2 4.25Å; E127-L129 HydrophobicContact CB-CG 4.39Å
130	F	86.9	Confident	74.6	Confident	17 Å²	17	78.2 Å²	78.2	8%	0.075	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	70.5	178.3	-58.6	-84.3	0	0	0	109.5	F22 R24 C77 R79 E89	F22-F130 HydrophobicContact CB-CD1 3.78Å; F22-F130 HydrophobicContact CB-CE1 4.02Å; F22-F130 HydrophobicContact CD2-CE1 4.42Å; F22-F130 HydrophobicContact CG-CE1 4.46Å; F22-F130 CarbonylContact O-C 3.57Å; F22-F130 WeakPolarHBondContact O-CA 3.29Å; R24-F130 WeakPolarHBondContact CG-O 3.27Å; R24-F130 PolarHBondContact NE-O 3.11Å; C77-F130 VanDerWaalsContact SG-CE1 3.59Å; R79-F130 HydrophobicContact CB-CE1 4.45Å; R79-F130 HydrophobicContact CG-CE1 4.46Å; R79-F130 VanDerWaalsContact NH1-CB 3.28Å; E89-F130 HydrophobicContact CG-CE2 4.01Å; E89-F130 HydrophobicContact CG-CZ 4.36Å
131	D	82.9	Confident	73.8	Confident	66 Å²	66	81.7 Å²	81.7	35%	0.353	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	-3.5	-169.3	61.6	-4	0	0	0	113.7	H21 F22 D133	H21-D131 IonicContact CE1-OD1 3.83Å; H21-D131 IonicContact CE1-OD2 3.75Å; H21-D131 PolarHBondContact CE1-OD2 2.92Å; H21-D131 IonicContact CG-OD1 3.15Å; H21-D131 IonicContact ND1-OD1 3.72Å; H21-D131 PolarHBondContact ND1-OD1 2.91Å; H21-D131 IonicContact ND1-OD2 3.97Å; H21-D131 PolarHBondContact ND1-OD2 3.46Å; F22-D131 PolarHBondContact O-N 2.7Å; D131-D133 PolarHBondContact O-N 3Å
132	V	77.6	Confident	72.6	Confident	51 Å²	51	82.9 Å²	82.9	31%	0.309	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	113.2	176.9	-173.7	0	0	0	0	108.7	H21 F22 S23 R24 S134	H21-V132 HydrophobicContact CB-CG2 3.8Å; F22-V132 PolarHBondContact O-N 2.79Å; S23-V132 VanDerWaalsContact CA-O 3.25Å; S23-V132 WeakPolarHBondContact CA-O 3.41Å; R24-V132 PolarHBondContact N-O 3.4Å; V132-S134 PolarHBondContact O-N 3.11Å
133	D	68.9	Low	71.2	Confident	123 Å²	123	87.3 Å²	87.3	66%	0.658	50%	0.5	S	S	*	.			trans	-66.6	117.4	162.7	-64.6	-30.9	0	0	0	106.2	R24 D131 C135	R24-D133 IonicContact NE-OD1 3.18Å; D131-D133 PolarHBondContact O-N 3Å; D133-C135 PolarHBondContact O-N 3.39Å; D133-C135 PolarHBondContact O-SG 3.26Å
134	S	57.6	Low	69.2	Low	65 Å²	65	85.6 Å²	85.6	46%	0.455	51%	0.506	S	S	.	.			trans	-48	104.8	-165.7	56.5	0	0	0	0	113	I25 V132	I25-S134 VanDerWaalsContact CD1-CB 3.48Å; V132-S134 PolarHBondContact O-N 3.11Å
135	C	52.2	Low	67	Low	108 Å²	108	88.8 Å²	88.8	73%	0.73	53%	0.532	S	S	*	.			trans	-92.7	118.2	167.6	-64.2	0	0	0	0	108.2	D133	D133-C135 PolarHBondContact O-N 3.39Å; D133-C135 PolarHBondContact O-SG 3.26Å
136	D	53.8	Low	64.8	Low	156 Å²	156	95.7 Å²	95.7	83%	0.834	55%	0.55	S	S	*	.			trans	54.2	85.2	173.5	-56.7	-34.3	0	0	0	115.9	P138	D136-P138 WeakPolarHBondContact O-CD 3.34Å; D136-P138 VanDerWaalsContact O-N 3.16Å
137	V	49.9	Very low	62.6	Low	98 Å²	98	101.2 Å²	101.2	59%	0.594	58%	0.584	S	S	*	*			trans	-50.3	114.4	160.6	176	0	0	0	0	108.6	E139	V137-E139 PolarHBondContact O-N 2.87Å
138	P	54.4	Low	60	Low	117 Å²	117	101.5 Å²	101.5	76%	0.76	60%	0.596	S	S	*	*			trans	-64.7	124.1	159.5	-5.3	21.9	0	0	0	105.6	D136	D136-P138 WeakPolarHBondContact O-CD 3.34Å; D136-P138 VanDerWaalsContact O-N 3.16Å
139	E	53.4	Low	57.8	Low	171 Å²	171	109 Å²	109	80%	0.799	63%	0.634	S	S	*	*			trans	-40.1	135.3	175.1	-111.6	-168	154.4	0	0	110.3	V137 V141	V137-E139 PolarHBondContact O-N 2.87Å; E139-V141 PolarHBondContact O-N 3.04Å
140	P	54.2	Low	55.5	Low	107 Å²	107	112.1 Å²	112.1	70%	0.695	66%	0.659	S	S	*	*			trans	-57.1	116.4	173.7	24.6	-32.2	0	0	0	107.8	S142	P140-S142 VanDerWaalsContact C-N 3.34Å; P140-S142 PolarHBondContact O-N 2.95Å
141	V	52.6	Low	53.7	Low	137 Å²	137	118.5 Å²	118.5	83%	0.83	69%	0.692	S	S	*	*			trans	-60.6	104.3	172.6	-166	0	0	0	0	106.1	E139 T143	E139-V141 PolarHBondContact O-N 3.04Å; V141-T143 PolarHBondContact O-N 2.82Å
142	S	51.5	Low	52.1	Low	87 Å²	87	122.1 Å²	122.1	61%	0.608	71%	0.71	S	S	*	*			trans	-57.2	113.2	179.7	-75.5	0	0	0	0	108.6	P140 S144	P140-S142 VanDerWaalsContact C-N 3.34Å; P140-S142 PolarHBondContact O-N 2.95Å; S142-S144 PolarHBondContact O-N 2.88Å
143	T	58.3	Low	50.2	Low	155 Å²	155	123.7 Å²	123.7	95%	0.951	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	28.3	176.9	34.4	0	0	0	0	113.3	V141	V141-T143 PolarHBondContact O-N 2.82Å
144	S	49.1	Very low	49.1	Very low	103 Å²	103	124.9 Å²	124.9	72%	0.72	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	10.4	-167.3	74.1	0	0	0	0	116.3	S142	S142-S144 PolarHBondContact O-N 2.88Å
145	S	45.1	Very low	48.2	Very low	94 Å²	94	128.2 Å²	128.2	66%	0.657	75%	0.753	S	S	*	*			trans	-121.3	58.8	177.4	32.5	0	0	0	0	112.3	T147	S145-T147 PolarHBondContact O-N 3.26Å
146	Y	47	Very low	48	Very low	223 Å²	223	128.8 Å²	128.8	88%	0.875	76%	0.758	S	S	*	*			trans	-82.4	73.7	147.7	-167.9	-95	0	0	0	107.5
147	T	46.8	Very low	47.3	Very low	119 Å²	119	126.8 Å²	126.8	73%	0.73	76%	0.756	S	S	*	*			trans	-89.3	108.6	172.2	-20.8	0	0	0	0	107.3	S145 I149	S145-T147 PolarHBondContact O-N 3.26Å; T147-I149 PolarHBondContact O-N 3.22Å; T147-I149 VanDerWaalsContact O-N 3.17Å
148	S	37.9	Very low	47.6	Very low	99 Å²	99	127.1 Å²	127.1	69%	0.692	76%	0.763	S	S	*	*			trans	-25.9	107.4	171.5	-52.7	0	0	0	0	114.2	S150	S148-S150 PolarHBondContact O-N 3.17Å
149	I	43.7	Very low	47.5	Very low	156 Å²	156	129.8 Å²	129.8	80%	0.8	77%	0.765	S	S	*	*			trans	-78.5	99.6	161.1	-65.4	173	0	0	0	106.5	T147 I151	T147-I149 PolarHBondContact O-N 3.22Å; T147-I149 VanDerWaalsContact O-N 3.17Å; I149-I151 HydrophobicContact CG2-CG1 4.18Å; I149-I151 PolarHBondContact O-N 3.23Å
150	S	42.3	Very low	47.3	Very low	102 Å²	102	129.9 Å²	129.9	71%	0.713	77%	0.765	S	S	*	*			trans	-68	106	163	50.8	0	0	0	0	108.5	S148 I152	S148-S150 PolarHBondContact O-N 3.17Å; S150-I152 PolarHBondContact O-N 3.33Å
151	I	49	Very low	47.2	Very low	151 Å²	151	129.5 Å²	129.5	77%	0.774	77%	0.766	S	S	*	*			trans	-74.5	109	173.3	-60.3	174.3	0	0	0	107.4	I149 A153	I149-I151 HydrophobicContact CG2-CG1 4.18Å; I149-I151 PolarHBondContact O-N 3.23Å; I151-A153 PolarHBondContact O-N 3.25Å
152	I	48	Very low	46.9	Very low	142 Å²	142	130.5 Å²	130.5	73%	0.728	76%	0.761	S	S	*	*			trans	-72.7	111.7	168.5	-60.1	171.5	0	0	0	106.8	S150 N154	S150-I152 PolarHBondContact O-N 3.33Å; I152-N154 PolarHBondContact O-N 3.4Å
153	A	39.4	Very low	47	Very low	84 Å²	84	136.4 Å²	136.4	69%	0.694	77%	0.77	S	S	*	*			trans	-79.4	106.4	171.8	0	0	0	0	0	109.3	I151	I151-A153 PolarHBondContact O-N 3.25Å
154	N	45.4	Very low	46.3	Very low	149 Å²	149	134.3 Å²	134.3	80%	0.797	76%	0.757	S	S	*	*			trans	-99.4	101.9	161.9	-85.4	14.4	0	0	0	108.8	I152	I152-N154 PolarHBondContact O-N 3.4Å
155	T	37.5	Very low	45.9	Very low	134 Å²	134	135.7 Å²	135.7	82%	0.822	76%	0.762	S	S	*	*			trans	-77	123.9	163.6	47.5	0	0	0	0	109.6
156	S	48.5	Very low	45.9	Very low	120 Å²	120	136.8 Å²	136.8	84%	0.839	77%	0.769	S	S	*	*			trans	-158.6	124.4	149.9	56.6	0	0	0	0	110.6
157	S	40.2	Very low	45.7	Very low	115 Å²	115	131.1 Å²	131.1	80%	0.804	76%	0.763	S	S	*	*			trans	-81.9	149	-173.7	51.5	0	0	0	0	114.6
158	S	55.7	Low	45.9	Very low	104 Å²	104	131.2 Å²	131.2	73%	0.727	77%	0.768	S	S	*	*			trans	-179.8	113	136.6	59.3	0	0	0	0	107
159	E	52.2	Low	46.3	Very low	174 Å²	174	135.4 Å²	135.4	81%	0.813	78%	0.776	S	S	*	*				51	125.2	87.2	-58.7	-176.3	157.6	0	0	111.4
160	E	49.6	Very low	46.7	Very low	172 Å²	172	133.5 Å²	133.5	80%	0.804	78%	0.777	S	S	*	*			cis	-172.9	168.9	7.2	-112.8	-170.1	133	0	0	107.5
161	S	52.2	Low	47	Very low	100 Å²	100	134 Å²	134	70%	0.699	78%	0.776	S	S	*	*			trans	95.2	104.3	152.7	-55.4	0	0	0	0	120.7
162	E	45.5	Very low	46.8	Very low	157 Å²	157	133.9 Å²	133.9	73%	0.734	78%	0.775	S	S	*	*			trans	4.8	152.9	132	-60.9	171.8	109.8	0	0	117.9
163	W	53.9	Low	46.6	Very low	211 Å²	211	138.2 Å²	138.2	80%	0.799	78%	0.782	S	S	*	*				-166.2	139.8	56.5	-78.4	72.3	0	0	0	111.4
164	T	43.8	Very low	46.5	Very low	111 Å²	111	139.3 Å²	139.3	68%	0.681	79%	0.785	S	S	*	*			trans	54.6	110.9	134.4	-30.5	0	0	0	0	124.5
165	T	40.9	Very low	46.4	Very low	132 Å²	132	139.2 Å²	139.2	81%	0.81	79%	0.79	S	S	*	*			trans	5.9	130.3	135.6	-36.5	0	0	0	0	121
166	S	45.1	Very low	46.6	Very low	117 Å²	117	138.2 Å²	138.2	82%	0.818	79%	0.788	S	S	*	*			trans	-162.4	131	133.3	-170.6	0	0	0	0	111.9
167	S	42.1	Very low	46.8	Very low	105 Å²	105	137.9 Å²	137.9	73%	0.734	79%	0.786	S	S	*	*			trans	-94.8	144.3	176.7	68.4	0	0	0	0	111.5
168	S	51.7	Low	46.8	Very low	120 Å²	120	137.6 Å²	137.6	84%	0.839	78%	0.784	S	S	*	*			trans	-152.8	134.5	150.8	-2.9	0	0	0	0	112
169	E	46.2	Very low	46.3	Very low	187 Å²	187	138.2 Å²	138.2	87%	0.874	79%	0.787	S	S	*	*			trans	-72.7	150.9	179	-65.8	166.4	99.3	0	0	114
170	S	51.5	Low	45.7	Very low	116 Å²	116	141.5 Å²	141.5	81%	0.811	79%	0.792	S	S	*	*			trans	-168.9	116.5	140.6	51.4	0	0	0	0	107.3
171	V	47.6	Very low	45.5	Very low	114 Å²	114	141.9 Å²	141.9	69%	0.691	79%	0.794	S	S	*	*				75.1	97.7	63	-179.1	0	0	0	0	113.8
172	I	46	Very low	45	Very low	147 Å²	147	142.5 Å²	142.5	75%	0.754	80%	0.798	S	S	*	*			trans	66.6	121.2	139.2	-50.3	169	0	0	0	119.1
173	R	43.1	Very low	44.8	Very low	233 Å²	233	138.1 Å²	138.1	88%	0.879	80%	0.795	S	S	*	*				168.1	133.7	97.1	-154.6	161	176.6	130.7	-3.8	113.2
174	S	37.5	Very low	44	Very low	107 Å²	107	133.6 Å²	133.6	75%	0.748	79%	0.791	S	S	*	*			trans	-66.5	148.8	175.8	-37	0	0	0	0	114.3
175	T	43	Very low	43.7	Very low	148 Å²	148	137.7 Å²	137.7	91%	0.908	80%	0.796	S	S	*	*				-171	149.4	124.9	20.1	0	0	0	0	113.2
176	S	41.5	Very low	43.6	Very low	112 Å²	112	137 Å²	137	78%	0.783	79%	0.792	S	S	*	*			trans	-82.2	151	-169.5	48.4	0	0	0	0	117.2
177	S	53.6	Low	43.2	Very low	113 Å²	113	138.1 Å²	138.1	79%	0.79	79%	0.793	S	S	*	*			trans	-174.9	113.2	141.7	55.8	0	0	0	0	108.3
178	S	40.9	Very low	42.9	Very low	109 Å²	109	142 Å²	142	76%	0.762	80%	0.798	S	S	*	*				74.9	127.6	84.6	85.7	0	0	0	0	116.6
179	C	43.7	Very low	42.4	Very low	118 Å²	118	141.2 Å²	141.2	80%	0.797	79%	0.792	S	S	*	*			trans	98	104.7	156.3	-56.7	0	0	0	0	118.7
180	R	39.7	Very low	42.1	Very low	242 Å²	242	137.8 Å²	137.8	91%	0.913	79%	0.789	S	S	*	*			trans	24.5	125.8	135.6	-73.2	177.4	158.5	169.5	-6.4	117.8
181	E	45.6	Very low	42	Very low	180 Å²	180	139.8 Å²	139.8	84%	0.841	79%	0.788	S	S	*	*				179.3	135.9	99.3	-164.5	161.1	163.9	0	0	111.8
182	S	41.4	Very low	41.7	Very low	113 Å²	113	141.3 Å²	141.3	79%	0.79	79%	0.793	S	S	*	*			trans	21.9	121	154.1	-46.8	0	0	0	0	121.1
183	G	43.1	Very low	41.3	Very low	66 Å²	66	139.1 Å²	139.1	68%	0.68	79%	0.791	S	S	*	*			trans	175	115.2	160.9	0	0	0	0	0	112.7
184	T	35.1	Very low	41.2	Very low	116 Å²	116	134.4 Å²	134.4	71%	0.712	79%	0.788	S	S	*	*			trans	-49.7	164.7	169.8	-41.9	0	0	0	0	111.7
185	Y	38.1	Very low	41.4	Very low	197 Å²	197	135.5 Å²	135.5	77%	0.773	79%	0.79	S	S	*	*			trans	136.6	130.2	141	-31.8	-51.5	0	0	0	113.9
186	T	38.5	Very low	41.3	Very low	118 Å²	118	134.2 Å²	134.2	72%	0.724	78%	0.782	S	S	*	*			trans	63.5	103	146.5	33.5	0	0	0	0	120.3
187	T	36.5	Very low	41.4	Very low	139 Å²	139	134.9 Å²	134.9	85%	0.853	78%	0.781	S	S	*	*			trans	-75.3	115.5	160.2	-53.7	0	0	0	0	110.2
188	F	36.3	Very low	40.5	Very low	188 Å²	188	134.6 Å²	134.6	83%	0.825	78%	0.779	S	S	*	*			trans	-98.8	124.3	156.7	-81.3	-93.1	0	0	0	107.9
189	S	41.4	Very low	40.5	Very low	102 Å²	102	135.5 Å²	135.5	71%	0.713	78%	0.784	S	S	*	*			trans	-112.9	102.3	163.5	65.1	0	0	0	0	108.7
190	S	40.4	Very low	40.2	Very low	116 Å²	116	135.9 Å²	135.9	81%	0.811	79%	0.788	S	S	*	*			trans	-77.1	124.6	164.4	29.1	0	0	0	0	109.1
191	I	49.9	Very low	40.4	Very low	158 Å²	158	128.2 Å²	128.2	81%	0.81	79%	0.785	S	S	*	*			trans	-113.4	114.2	166.4	-69.1	172.4	0	0	0	106.4
192	D	41.2	Very low	40.2	Very low	145 Å²	145	125 Å²	125	78%	0.775	78%	0.782	S	S	*	*			trans	-76.5	129.6	171.1	-92.7	-34.7	0	0	0	111.2
193	S	36.9	Very low	40.6	Very low	102 Å²	102	125.4 Å²	125.4	71%	0.713	79%	0.785	S	S	*	*			trans	48.9	111.8	138.1	-50	0	0	0	0	119.9
194	T	41.9	Very low	40.9	Very low	134 Å²	134	129.2 Å²	129.2	82%	0.822	80%	0.795	S	S	*	*			trans	-133.1	114.6	147.5	-49.4	0	0	0	0	109.9
195	T	41	Very low	41.3	Very low	130 Å²	130	127.2 Å²	127.2	80%	0.798	80%	0.797	S	S	*	*			trans	-70.3	129.3	173.1	-39.4	0	0	0	0	109.5
196	T	41.7	Very low	41.4	Very low	120 Å²	120	121.5 Å²	121.5	74%	0.736	80%	0.798	S	S	*	*			trans	-129.6	122.2	168.6	-33.7	0	0	0	0	109.3
197	V	43.1	Very low	41.3	Very low	127 Å²	127	121.8 Å²	121.8	77%	0.77	80%	0.802	S	S	*	*			trans	-84.7	130.8	175.5	-175.1	0	0	0	0	108.1
198	S	34.7	Very low	41.6	Very low	106 Å²	106	121.4 Å²	121.4	74%	0.741	80%	0.804	S	S	*	*			trans	-116.6	128.9	176.6	-49.8	0	0	0	0	109
199	C	41.2	Very low	41.9	Very low	129 Å²	129	117.7 Å²	117.7	87%	0.872	80%	0.802	S	S	*	*			trans	-105.6	126	168.9	-71.2	0	0	0	0	109.9
200	S	35.8	Very low	42.2	Very low	125 Å²	125	119.8 Å²	119.8	87%	0.874	81%	0.81	S	S	*	*			trans	-86.8	134.1	177.6	-34	0	0	0	0	110.3
201	G	44.1	Very low	42.1	Very low	82 Å²	82	119.6 Å²	119.6	85%	0.845	81%	0.809	S	S	*	*			trans	-145.6	94.7	172.1	0	0	0	0	0	110.3
202	S	42.2	Very low	42	Very low	113 Å²	113	116.8 Å²	116.8	79%	0.79	81%	0.809	S	S	*	*			trans	-77.7	135.7	175.3	165.1	0	0	0	0	110.8
203	S	49.7	Very low	42.2	Very low	121 Å²	121	116.6 Å²	116.6	85%	0.846	81%	0.814	S	S	*	*			trans	-164.8	144.5	133	44.6	0	0	0	0	112.4
204	V	48.8	Very low	42.4	Very low	146 Å²	146	114.6 Å²	114.6	89%	0.885	81%	0.809	S	S	*	*			trans	-83.4	147.2	-171	170.8	0	0	0	0	110.7
205	G	43.8	Very low	42.6	Very low	74 Å²	74	114.7 Å²	114.7	76%	0.763	81%	0.809	S	S	*	*			trans	148.9	96.5	149.3	0	0	0	0	0	118
206	G	40.5	Very low	42.8	Very low	76 Å²	76	113.2 Å²	113.2	78%	0.784	81%	0.805	S	S	*	*				85.4	128.8	128.5	0	0	0	0	0	119.5
207	P	36.5	Very low	43.1	Very low	125 Å²	125	114 Å²	114	81%	0.812	81%	0.809	S	S	*	*			trans	-91.7	149.2	-177.1	36.6	-31.4	0	0	0	112.4
208	S	43.5	Very low	43.4	Very low	130 Å²	130	117.4 Å²	117.4	91%	0.909	82%	0.816	S	S	*	*			trans	-155.6	121	153.1	-85	0	0	0	0	111.5
209	S	40.8	Very low	43.9	Very low	110 Å²	110	117.7 Å²	117.7	77%	0.769	82%	0.818	S	S	*	*			trans	-75.2	133	169.4	48.2	0	0	0	0	111.3
210	V	48.2	Very low	44.3	Very low	146 Å²	146	117.2 Å²	117.2	89%	0.885	82%	0.815	S	S	*	*			trans	-154.9	128.2	140.6	-172.2	0	0	0	0	109.5
211	S	38.5	Very low	44.8	Very low	113 Å²	113	117.6 Å²	117.6	79%	0.79	81%	0.812	S	S	*	*			trans	-76.1	143.3	172.1	-51.9	0	0	0	0	112.3
212	A	47.8	Very low	45.5	Very low	98 Å²	98	120.6 Å²	120.6	81%	0.81	81%	0.814	S	S	*	*			trans	-152.8	109.5	156.2	0	0	0	0	0	111.9
213	T	46	Very low	45.9	Very low	142 Å²	142	118.3 Å²	118.3	87%	0.871	81%	0.808	S	S	*	*			trans	-27.1	136.1	146.4	-24.7	0	0	0	0	111.8
214	G	39.9	Very low	46.1	Very low	60 Å²	60	117.4 Å²	117.4	62%	0.619	80%	0.802	S	S	*	*			cis	103.3	104.7	40.2	0	0	0	0	0	109.3
215	T	46.8	Very low	46.1	Very low	135 Å²	135	119.1 Å²	119.1	83%	0.828	80%	0.801	S	S	*	*			trans	165.7	108.6	157.5	41.3	0	0	0	0	108.3
216	S	45.9	Very low	46.5	Very low	100 Å²	100	122.8 Å²	122.8	70%	0.699	81%	0.808	S	S	*	*				46.2	132.9	93.5	84.9	0	0	0	0	113.6
217	V	47.8	Very low	46.9	Very low	135 Å²	135	123.8 Å²	123.8	82%	0.818	81%	0.809	S	S	*	*			cis	-164.6	138.5	21.4	-125.9	0	0	0	0	105.4
218	E	48	Very low	47.6	Very low	200 Å²	200	122.6 Å²	122.6	94%	0.935	81%	0.81	S	S	*	*			trans	-109.5	125.8	163.5	-81.3	-172.3	126.4	0	0	109.2
219	S	46.9	Very low	48.4	Very low	111 Å²	111	120.8 Å²	120.8	78%	0.776	80%	0.797	S	S	*	*			trans	-116.4	116.8	172.6	50.4	0	0	0	0	108.5
220	C	48.1	Very low	48.9	Very low	119 Å²	119	123.4 Å²	123.4	80%	0.804	80%	0.802	S	S	*	*			trans	-141.9	106.3	166.5	-79.9	0	0	0	0	110.4
221	T	47.1	Very low	49.3	Very low	133 Å²	133	120.3 Å²	120.3	82%	0.816	80%	0.8	S	S	*	*				52.8	113.8	127.6	-39.5	0	0	0	0	119.7
222	V	58.9	Low	49.9	Very low	145 Å²	145	120.4 Å²	120.4	88%	0.879	80%	0.801	S	S	*	*			trans	-131.7	113.6	145.2	-179.6	0	0	0	0	108.3
223	G	50.3	Low	50.5	Low	66 Å²	66	125.5 Å²	125.5	68%	0.68	81%	0.805	S	S	*	*			trans	-80.7	143.8	170.9	0	0	0	0	0	111.3
224	S	53.6	Low	51.2	Low	102 Å²	102	123.5 Å²	123.5	71%	0.713	79%	0.793	S	S	*	*			trans	-81.7	143.9	-177.2	-51.9	0	0	0	0	113.7
225	E	49.6	Very low	51.9	Low	182 Å²	182	128.7 Å²	128.7	85%	0.85	80%	0.801	S	S	*	*			trans	55.8	123.9	133.1	-64.2	176.9	123.4	0	0	120.8
226	T	51.4	Low	52.4	Low	151 Å²	151	131 Å²	131	93%	0.926	80%	0.802	S	S	*	*			trans	-140.9	126.9	145	-34.5	0	0	0	0	109.3
227	A	49.4	Very low	53.1	Low	96 Å²	96	131.6 Å²	131.6	79%	0.793	81%	0.807	S	S	*	*			trans	-79.4	153.3	179	0	0	0	0	0	112.8
228	A	51.3	Low	54	Low	101 Å²	101	140 Å²	140	84%	0.835	83%	0.826	S	S	*	*			trans	167.4	151.3	147.7	0	0	0	0	0	107.9
229	S	59.5	Low	54.3	Low	92 Å²	92	137 Å²	137	64%	0.643	82%	0.82	S	S	*	*			cis	172.6	134.9	-12.4	172.4	0	0	0	0	104.3
230	N	52.7	Low	54.7	Low	164 Å²	164	138.4 Å²	138.4	88%	0.877	82%	0.823	S	S	*	*			trans	55.8	136.6	148.2	-60.2	-11.4	0	0	0	122.3
231	G	55.2	Low	55.1	Low	81 Å²	81	139.4 Å²	139.4	84%	0.835	82%	0.824	S	S	*	*			trans	157.9	67.2	150.7	0	0	0	0	0	116.2
232	S	52.6	Low	55.5	Low	115 Å²	115	139.8 Å²	139.8	80%	0.804	82%	0.824	S	S	*	*			trans	-78.5	131	158.1	62	0	0	0	0	109.5
233	F	60.5	Low	55.3	Low	206 Å²	206	139.5 Å²	139.5	90%	0.904	82%	0.821	S	S	*	*			trans	-141.1	145.5	155.9	-148.9	-94	0	0	0	111.2
234	T	59.1	Low	55.6	Low	100 Å²	100	144.4 Å²	144.4	61%	0.613	83%	0.83	S	S	*	*			trans	-102.5	159.4	-155.3	-21.8	0	0	0	0	110.7
235	Q	54.7	Low	55.8	Low	169 Å²	169	147.4 Å²	147.4	79%	0.79	84%	0.838	S	S	*	*			trans	61.2	122.4	142.3	-103.4	178.3	13.5	0	0	119.6
236	Q	57.1	Low	56.3	Low	183 Å²	183	144.8 Å²	144.8	86%	0.855	84%	0.837	S	S	*	*				-172.8	130	95.7	-100.7	178	-10.9	0	0	110.8
237	S	61.3	Low	56.7	Low	113 Å²	113	144.3 Å²	144.3	79%	0.79	83%	0.83	S	S	*	*			trans	-82.5	137.7	164.5	-53.5	0	0	0	0	109.6
238	Y	66.9	Low	57.3	Low	311 Å²	311	148.6 Å²	148.6	100%	1.22	83%	0.833	S	S	*	*			trans	-152.1	0	134.4	-102.9	-77.3	0	0	0	108

Retrieved 238 of 238 residues in 43.3 ms (Link to these results)

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