A0A060Y1V3_ONCMY Loading...

Motile sperm domain-containing protein 1

Plays a role in differentiation and/or proliferation of mesenchymal stem cells. Proposed to be involved in epithelial-to-mesenchymal transition (EMT). However, another study suggests that it is not required for EMT or stem cell self-renewal and acts during later stages of differentiation.

AlphaFold DB (A0A4W5QAM0), UniProt , Accession A0A060Y1V3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 218 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.3	Very low	46.2	Very low	245 Å²	245	148.2 Å²	148.2	100%	1.207	79%	0.793	S	S	*	*				0	114.7	0	-69	-157.4	156.1	0	0	107.2	Q3	M1-Q3 PolarHBondContact O-N 3.1Å
2	Q	36.8	Very low	47.7	Very low	199 Å²	199	143.2 Å²	143.2	93%	0.93	76%	0.762	S	S	*	*			trans	-71.1	123.4	-174.9	-83.1	167.5	-18	0	0	110	Q4	Q2-Q4 PolarHBondContact O-N 3.38Å
3	Q	38.1	Very low	49.1	Very low	196 Å²	196	135.5 Å²	135.5	92%	0.916	74%	0.738	S	S	*	*			trans	-81.2	96.8	175.2	-154.5	164.6	28.4	0	0	107.1	M1 S5	M1-Q3 PolarHBondContact O-N 3.1Å; Q3-S5 PolarHBondContact O-N 3.44Å
4	Q	41.8	Very low	51.1	Low	187 Å²	187	131.1 Å²	131.1	87%	0.874	72%	0.722	S	S	*	*			trans	-68.1	110.9	167.8	-88.8	175.5	-9.3	0	0	107.8	Q2 G6	Q2-Q4 PolarHBondContact O-N 3.38Å; Q4-G6 PolarHBondContact O-N 3.45Å
5	S	40.2	Very low	53.6	Low	107 Å²	107	123.2 Å²	123.2	75%	0.748	68%	0.678	S	S	*	*			trans	-62.2	104.8	165.2	58.4	0	0	0	0	107.7	Q3 Q7	Q3-S5 PolarHBondContact O-N 3.44Å; S5-Q7 PolarHBondContact O-N 3.3Å
6	G	40.4	Very low	55.9	Low	75 Å²	75	120.1 Å²	120.1	77%	0.773	67%	0.666	S	S	*	*			trans	-63.2	103.1	173	0	0	0	0	0	109.1	Q4	Q4-G6 PolarHBondContact O-N 3.45Å
7	Q	47.7	Very low	58.1	Low	174 Å²	174	114.1 Å²	114.1	81%	0.813	63%	0.633	S	S	*	*			trans	-60.2	136.9	161.5	-81.4	-177.8	-28.2	0	0	107.8	S5 E9	S5-Q7 PolarHBondContact O-N 3.3Å; Q7-E9 PolarHBondContact O-N 2.81Å
8	P	52.4	Low	60.2	Low	114 Å²	114	112.3 Å²	112.3	74%	0.74	62%	0.618	S	S	*	*			trans	-59.3	117.2	175.4	23.7	-31	0	0	0	108.6	L10	P8-L10 PolarHBondContact O-N 2.96Å
9	E	54.3	Low	62	Low	176 Å²	176	106.8 Å²	106.8	82%	0.822	59%	0.588	S	S	*	*			trans	-67.2	103.2	178.8	-156.9	-172.8	137.4	0	0	108	Q7 V11	Q7-E9 PolarHBondContact O-N 2.81Å; E9-V11 PolarHBondContact O-N 2.84Å; E9-V11 VanDerWaalsContact O-N 3.08Å
10	L	57.9	Low	63.6	Low	57 Å²	57	103.6 Å²	103.6	30%	0.298	57%	0.567	S	S	.	*			trans	-63.2	112.4	177.6	-68.9	173.9	0	0	0	108.9	P8 F46 L108	P8-L10 PolarHBondContact O-N 2.96Å; L10-F46 HydrophobicContact CD1-CE1 4.26Å; L10-F46 HydrophobicContact CD1-CZ 3.96Å; L10-L108 HydrophobicContact CB-CD2 4.09Å; L10-L108 HydrophobicContact CD1-CD1 3.96Å
11	V	61.7	Low	65.2	Low	100 Å²	100	99.7 Å²	99.7	61%	0.606	55%	0.547	S	S	*	.			trans	-67.8	142.9	-179.3	-177.8	0	0	0	0	109.8	E9 G13 S14	E9-V11 PolarHBondContact O-N 2.84Å; E9-V11 VanDerWaalsContact O-N 3.08Å; V11-G13 PolarHBondContact O-N 3.44Å; V11-S14 PolarHBondContact O-N 3.35Å; V11-S14 PolarHBondContact O-OG 3.49Å
12	E	63.5	Low	67.7	Low	88 Å²	88	90.9 Å²	90.9	41%	0.411	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	126.2	-180	-159	177.9	164.8	0	0	111.3	S14 K106 A107 R110	E12-S14 VanDerWaalsContact C-N 3.31Å; E12-S14 PolarHBondContact O-N 3.31Å; E12-K106 HydrophobicContact CB-CD 4.34Å; E12-K106 HydrophobicContact CB-CG 4.49Å; E12-K106 HydrophobicContact CG-CD 4.33Å; E12-K106 HydrophobicContact CG-CG 3.95Å; E12-K106 WeakPolarHBondContact OE2-CE 3.33Å; E12-K106 IonicContact OE2-NZ 3.81Å; E12-A107 WeakPolarHBondContact CG-O 3.39Å; E12-R110 IonicContact OE1-NH2 3.23Å; E12-R110 PolarHBondContact OE1-NH2 2.91Å
13	G	65.7	Low	70.5	Confident	44 Å²	44	86.1 Å²	86.1	45%	0.454	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	4.6	176.6	0	0	0	0	0	115.5	V11 A107 L108	V11-G13 PolarHBondContact O-N 3.44Å; G13-A107 PolarHBondContact N-O 2.83Å; G13-L108 CarbonylContact C-O 3.57Å; G13-L108 VanDerWaalsContact C-O 3.32Å; G13-L108 WeakPolarHBondContact CA-O 3.46Å; G13-L108 PolarHBondContact N-O 2.84Å
14	S	78.1	Confident	73.3	Confident	73 Å²	73	76.8 Å²	76.8	51%	0.51	44%	0.441	S	S	.	.			trans	-90.4	-9.3	177.1	71.5	0	0	0	0	114	V11 E12 P16 L108	V11-S14 PolarHBondContact O-N 3.35Å; V11-S14 PolarHBondContact O-OG 3.49Å; E12-S14 VanDerWaalsContact C-N 3.31Å; E12-S14 PolarHBondContact O-N 3.31Å; S14-P16 VanDerWaalsContact O-CD 3.24Å; S14-P16 WeakPolarHBondContact O-CD 3.35Å; S14-L108 PolarHBondContact N-O 2.88Å
15	L	87.8	Confident	75.9	Confident	13 Å²	13	69.5 Å²	69.5	7%	0.068	41%	0.41	C	S	.	.	B	Isolated β-bridge	trans	-78.6	117.9	-178	-167	71.2	0	0	0	110.4	Y44 F46 L48 V99 L108 G109	L15-Y44 HydrophobicContact CD1-CD1 4.16Å; L15-Y44 HydrophobicContact CD1-CD2 4.32Å; L15-Y44 HydrophobicContact CD1-CE1 3.52Å; L15-Y44 HydrophobicContact CD1-CE2 3.72Å; L15-Y44 WeakPolarHBondContact CD1-OH 3.3Å; L15-Y44 HydrophobicContact CD2-CD2 4.24Å; L15-Y44 HydrophobicContact CD2-CE2 3.78Å; L15-Y44 HydrophobicContact CG-CD2 4.49Å; L15-Y44 HydrophobicContact CG-CE1 4.33Å; L15-Y44 HydrophobicContact CG-CE2 3.67Å; L15-Y44 WeakPolarHBondContact CG-OH 3.28Å; L15-F46 HydrophobicContact CD1-CZ 4.35Å; L15-F46 HydrophobicContact CD2-CE2 4.43Å; L15-F46 HydrophobicContact CD2-CZ 4.29Å; L15-L48 HydrophobicContact CD2-CD2 3.96Å; L15-V99 HydrophobicContact CD2-CG2 4.02Å; L15-L108 VanDerWaalsContact CB-C 3.45Å; L15-L108 HydrophobicContact CB-CB 3.9Å; L15-L108 WeakPolarHBondContact CB-O 3.08Å; L15-L108 HydrophobicContact CD2-CB 3.76Å; L15-L108 HydrophobicContact CD2-CD1 4.4Å; L15-L108 HydrophobicContact CG-CB 4.45Å; L15-L108 PolarHBondContact N-O 2.95Å; L15-G109 WeakPolarHBondContact O-CA 3.49Å
16	P	90.7	Very high	78.6	Confident	74 Å²	74	64.4 Å²	64.4	48%	0.481	37%	0.374	S	S	.	.			trans	-58.8	142.6	173	-24.9	35.1	0	0	0	112	S14 F18 Y44	S14-P16 VanDerWaalsContact O-CD 3.24Å; S14-P16 WeakPolarHBondContact O-CD 3.35Å; P16-F18 HydrophobicContact CB-CE2 3.76Å; P16-F18 HydrophobicContact CB-CZ 3.79Å; P16-Y44 VanDerWaalsContact CD-OH 3.25Å; P16-Y44 WeakPolarHBondContact CD-OH 3.44Å; P16-Y44 PolarHBondContact O-OH 2.96Å
17	V	93.8	Very high	81.2	Confident	18 Å²	18	62 Å²	62	11%	0.109	34%	0.342	C	S	.	.			trans	-124.5	123.6	179.6	-178.3	0	0	0	0	108.8	V19 L40 V99 K111	V17-V19 HydrophobicContact CG1-CG1 4.04Å; V17-L40 HydrophobicContact CG1-CD1 3.72Å; V17-V99 HydrophobicContact CG1-CG1 4.02Å; V17-V99 HydrophobicContact CG2-CB 4.48Å; V17-V99 HydrophobicContact CG2-CG1 4.23Å; V17-V99 HydrophobicContact CG2-CG2 3.45Å; V17-V99 VanDerWaalsContact CG2-CG2 3.45Å; V17-K111 HydrophobicContact CB-CB 3.84Å; V17-K111 HydrophobicContact CG1-CB 3.88Å
18	F	94.7	Very high	83.5	Confident	82 Å²	82	54.8 Å²	54.8	36%	0.36	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	112.2	-172.1	-58.8	-89.5	0	0	0	109.5	P16 L40 Y41 P43 M137	P16-F18 HydrophobicContact CB-CE2 3.76Å; P16-F18 HydrophobicContact CB-CZ 3.79Å; F18-L40 WeakPolarHBondContact O-CD1 3.43Å; F18-Y41 HydrophobicContact CB-CD1 4.35Å; F18-Y41 PolarHBondContact O-N 3.3Å; F18-P43 HydrophobicContact CD2-CG 3.57Å; F18-P43 HydrophobicContact CE2-CG 3.49Å; F18-P43 VanDerWaalsContact CE2-CG 3.49Å; F18-P43 HydrophobicContact CZ-CG 4.41Å; F18-M137 HydrophobicContact CB-CE 4.09Å
19	V	95.6	Very high	85.4	Confident	7 Å²	7	53.8 Å²	53.8	4%	0.042	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	147.7	-178.6	-53.7	0	0	0	0	110.6	V17 L38 T39 L40 L97 K111 V113	V17-V19 HydrophobicContact CG1-CG1 4.04Å; V19-L38 HydrophobicContact CB-CD1 4.18Å; V19-L38 HydrophobicContact CG2-CD1 4.41Å; V19-T39 CarbonylContact C-O 3.51Å; V19-T39 VanDerWaalsContact CA-O 3.23Å; V19-T39 WeakPolarHBondContact CA-O 3.25Å; V19-L40 HydrophobicContact CG1-CD1 4.06Å; V19-L97 HydrophobicContact CG1-CD2 3.65Å; V19-K111 HydrophobicContact CG1-CG 4.21Å; V19-K111 HydrophobicContact CG2-CD 4.33Å; V19-K111 HydrophobicContact CG2-CG 3.55Å; V19-V113 HydrophobicContact CG2-CG2 3.59Å
20	F	94.1	Very high	87.4	Confident	42 Å²	42	49 Å²	49	18%	0.184	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	136.5	176.1	178.5	-96.2	0	0	0	110.7	L38 T39 E133 E134 M137	F20-L38 CarbonylContact O-C 3.6Å; F20-L38 WeakPolarHBondContact O-CA 3.28Å; F20-T39 PolarHBondContact N-O 3.44Å; F20-T39 PolarHBondContact O-N 2.87Å; F20-E133 HydrophobicContact CE2-CB 4.08Å; F20-E134 HydrophobicContact CE1-CB 4.24Å; F20-E134 HydrophobicContact CE1-CG 4.01Å; F20-E134 HydrophobicContact CE2-CB 3.94Å; F20-E134 HydrophobicContact CE2-CG 4.44Å; F20-E134 HydrophobicContact CZ-CB 3.56Å; F20-E134 HydrophobicContact CZ-CG 3.86Å; F20-M137 HydrophobicContact CB-SD 3.83Å; F20-M137 HydrophobicContact CD2-SD 4.45Å; F20-M137 HydrophobicContact CG-SD 4.47Å
21	P	96.1	Very high	89	Confident	23 Å²	23	54.2 Å²	54.2	15%	0.149	30%	0.301	C	S	.	.	S	Bend	cis	-71.4	166.1	-5	32.7	-37.8	0	0	0	112.6	E23 L24 V37 L38	P21-E23 VanDerWaalsContact C-N 3.27Å; P21-E23 WeakPolarHBondContact CB-O 3.25Å; P21-E23 VanDerWaalsContact CG-O 3.22Å; P21-E23 WeakPolarHBondContact CG-O 3.49Å; P21-L24 HydrophobicContact CG-CD2 3.57Å; P21-V37 VanDerWaalsContact CD-O 3.3Å; P21-V37 WeakPolarHBondContact CD-O 3.49Å; P21-L38 VanDerWaalsContact O-CD1 3.24Å; P21-L38 WeakPolarHBondContact O-CD1 3.31Å
22	T	91.3	Very high	90.5	Very high	60 Å²	60	54.6 Å²	54.6	37%	0.368	30%	0.304	S	S	.	.	S	Bend	trans	-76.4	-19.6	179	66.7	0	0	0	0	112.8
23	E	95.3	Very high	92.1	Very high	98 Å²	98	50.9 Å²	50.9	46%	0.458	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	156.3	173.4	62.3	178.8	173.4	0	0	111.4	P21 T114	P21-E23 VanDerWaalsContact C-N 3.27Å; P21-E23 WeakPolarHBondContact CB-O 3.25Å; P21-E23 VanDerWaalsContact CG-O 3.22Å; P21-E23 WeakPolarHBondContact CG-O 3.49Å; E23-T114 CarbonylContact C-O 3.58Å; E23-T114 WeakPolarHBondContact CA-O 3.49Å; E23-T114 WeakPolarHBondContact CB-OG1 3.49Å
24	L	96.1	Very high	93.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.3	179	-59.5	169.2	0	0	0	109.4	P21 F26 Q36 I79 F95 V113 T114 A115 T116	P21-L24 HydrophobicContact CG-CD2 3.57Å; L24-F26 HydrophobicContact CB-CE2 3.77Å; L24-F26 HydrophobicContact CB-CZ 4.2Å; L24-Q36 HydrophobicContact CD2-CB 3.93Å; L24-Q36 VanDerWaalsContact CD2-OE1 3.26Å; L24-I79 HydrophobicContact CD1-CB 4.41Å; L24-I79 HydrophobicContact CD1-CD1 3.46Å; L24-I79 VanDerWaalsContact CD1-CD1 3.46Å; L24-I79 HydrophobicContact CD1-CG2 4.36Å; L24-F95 HydrophobicContact CD1-CD2 4.02Å; L24-F95 HydrophobicContact CD1-CE2 4.08Å; L24-V113 HydrophobicContact CD1-CG1 4.16Å; L24-V113 HydrophobicContact CG-CG1 4Å; L24-T114 PolarHBondContact N-O 3.34Å; L24-A115 HydrophobicContact CB-CB 4.12Å; L24-A115 CarbonylContact O-C 3.56Å; L24-A115 VanDerWaalsContact O-CA 3.23Å; L24-A115 WeakPolarHBondContact O-CA 3.29Å; L24-T116 PolarHBondContact O-N 3.45Å
25	V	95.8	Very high	94.4	Very high	35 Å²	35	52 Å²	52	21%	0.212	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	110.2	-178.3	-174.6	0	0	0	0	109.9	Y27 Q36 R118	V25-Y27 HydrophobicContact CG1-CE1 3.99Å; V25-Y27 HydrophobicContact CG1-CE2 4.04Å; V25-Q36 PolarHBondContact O-NE2 3Å; V25-R118 HydrophobicContact CG1-CG 3.8Å
26	F	96.4	Very high	94.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	147.2	177.9	-58.5	-87.3	0	0	0	109.5	L24 S33 Q36 Y60 I79 H81 A115 T116 L117 R118	L24-F26 HydrophobicContact CB-CE2 3.77Å; L24-F26 HydrophobicContact CB-CZ 4.2Å; F26-S33 WeakPolarHBondContact CD1-O 3.39Å; F26-S33 WeakPolarHBondContact CE1-O 3.47Å; F26-Q36 HydrophobicContact CD1-CG 4.41Å; F26-Q36 HydrophobicContact CE1-CB 4.2Å; F26-Q36 HydrophobicContact CE1-CG 3.83Å; F26-Q36 HydrophobicContact CZ-CB 4.3Å; F26-Q36 HydrophobicContact CZ-CG 4.26Å; F26-Y60 HydrophobicContact CD2-CE1 4.11Å; F26-Y60 HydrophobicContact CE2-CD1 4.44Å; F26-Y60 AromaticContact CE2-CE1 3.74Å; F26-Y60 HydrophobicContact CE2-CE1 3.74Å; F26-Y60 HydrophobicContact CZ-CE1 4.25Å; F26-I79 HydrophobicContact CZ-CG2 4.01Å; F26-H81 HydrophobicContact CB-CB 4.48Å; F26-H81 HydrophobicContact CD1-CB 3.65Å; F26-H81 AromaticContact CD2-CD2 3.98Å; F26-H81 HydrophobicContact CE1-CB 3.97Å; F26-H81 HydrophobicContact CG-CB 3.97Å; F26-H81 AromaticContact CG-CD2 3.92Å; F26-A115 HydrophobicContact CE2-CB 4.05Å; F26-T116 PolarHBondContact N-O 3.37Å; F26-L117 HydrophobicContact CB-CD1 3.74Å; F26-L117 CarbonylContact O-C 3.55Å; F26-L117 WeakPolarHBondContact O-CA 3.36Å; F26-R118 PolarHBondContact O-N 2.78Å
27	Y	96.4	Very high	95.1	Very high	24 Å²	24	52.4 Å²	52.4	9%	0.094	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.1	-179.3	-66.3	-70.4	0	0	0	110.3	V25 D29 E30 S33 H34 R118 S120 A121 E124	V25-Y27 HydrophobicContact CG1-CE1 3.99Å; V25-Y27 HydrophobicContact CG1-CE2 4.04Å; Y27-D29 VanDerWaalsContact C-N 3.31Å; Y27-D29 PolarHBondContact O-N 2.98Å; Y27-E30 PolarHBondContact O-N 3.43Å; Y27-S33 PolarHBondContact N-OG 3.34Å; Y27-S33 PolarHBondContact O-OG 3.38Å; Y27-S33 VanDerWaalsContact O-OG 3.13Å; Y27-H34 PolarHBondContact O-CD2 3.48Å; Y27-H34 PolarHBondContact O-NE2 3.4Å; Y27-R118 WeakPolarHBondContact CA-O 3.43Å; Y27-R118 HydrophobicContact CD1-CB 3.61Å; Y27-R118 HydrophobicContact CD1-CG 4.41Å; Y27-R118 HydrophobicContact CE1-CB 3.73Å; Y27-R118 HydrophobicContact CE1-CG 4.09Å; Y27-S120 VanDerWaalsContact CD1-C 3.43Å; Y27-A121 VanDerWaalsContact CD1-CA 3.49Å; Y27-A121 HydrophobicContact CD1-CB 3.87Å; Y27-A121 VanDerWaalsContact CD1-N 3.29Å; Y27-A121 HydrophobicContact CD2-CB 3.96Å; Y27-A121 VanDerWaalsContact CE1-CA 3.42Å; Y27-A121 HydrophobicContact CE1-CB 3.96Å; Y27-A121 HydrophobicContact CE2-CB 4.03Å; Y27-A121 HydrophobicContact CG-CB 3.88Å; Y27-E124 VanDerWaalsContact OH-CD 3.29Å; Y27-E124 PolarHBondContact OH-OE1 3.16Å; Y27-E124 VanDerWaalsContact OH-OE1 3.05Å
28	A	94.8	Very high	95.2	Very high	22 Å²	22	51.6 Å²	51.6	18%	0.182	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-27.6	-173.7	0	0	0	0	0	114.1	V84 Y89 L117 R118	A28-V84 HydrophobicContact CB-CG1 3.59Å; A28-Y89 HydrophobicContact CB-CE1 3.49Å; A28-Y89 VanDerWaalsContact CB-CE1 3.49Å; A28-Y89 WeakPolarHBondContact CB-OH 3.28Å; A28-L117 HydrophobicContact CB-CD1 4.44Å; A28-R118 PolarHBondContact N-O 2.62Å
29	D	93.8	Very high	95.3	Very high	93 Å²	93	49.4 Å²	49.4	50%	0.497	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-11.7	175.3	62.3	-15.6	0	0	0	113.2	Y27 S120	Y27-D29 VanDerWaalsContact C-N 3.31Å; Y27-D29 PolarHBondContact O-N 2.98Å; D29-S120 WeakPolarHBondContact OD1-CA 3.24Å; D29-S120 VanDerWaalsContact OD2-CA 3.3Å; D29-S120 WeakPolarHBondContact OD2-CA 3.34Å; D29-S120 WeakPolarHBondContact OD2-CB 3.46Å; D29-S120 PolarHBondContact OD2-OG 3.44Å
30	E	94.9	Very high	95.4	Very high	77 Å²	77	49 Å²	49	36%	0.36	26%	0.256	S	S	.	.			trans	-118.8	95.7	-174.9	-161.9	-164.8	153.2	0	0	112	Y27 T32 S33	Y27-E30 PolarHBondContact O-N 3.43Å; E30-T32 VanDerWaalsContact CG-OG1 3.26Å; E30-T32 WeakPolarHBondContact CG-OG1 3.34Å; E30-T32 PolarHBondContact O-N 2.88Å; E30-T32 PolarHBondContact OE1-OG1 3.27Å; E30-S33 VanDerWaalsContact O-CB 3.31Å; E30-S33 WeakPolarHBondContact O-CB 3.45Å; E30-S33 PolarHBondContact O-N 2.9Å; E30-S33 PolarHBondContact O-OG 3Å
31	Q	93.1	Very high	95.5	Very high	166 Å²	166	48.1 Å²	48.1	78%	0.776	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-62.3	-27.8	-177	-67.4	-176.1	51.8	0	0	114.4	S33 H34	Q31-S33 PolarHBondContact O-N 3.39Å; Q31-H34 WeakPolarHBondContact O-CB 3.37Å; Q31-H34 PolarHBondContact O-N 3.39Å
32	T	93.4	Very high	95.5	Very high	108 Å²	108	47 Å²	47	66%	0.663	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-62.9	-33.2	174.9	34.8	0	0	0	0	111.8	E30 H34	E30-T32 VanDerWaalsContact CG-OG1 3.26Å; E30-T32 WeakPolarHBondContact CG-OG1 3.34Å; E30-T32 PolarHBondContact O-N 2.88Å; E30-T32 PolarHBondContact OE1-OG1 3.27Å; T32-H34 VanDerWaalsContact C-N 3.26Å; T32-H34 PolarHBondContact O-N 3.36Å
33	S	95.1	Very high	95.5	Very high	10 Å²	10	45.8 Å²	45.8	7%	0.07	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-67.6	-24.5	177.1	80.3	0	0	0	0	112.9	F26 Y27 E30 Q31 K35 Q36	F26-S33 WeakPolarHBondContact CD1-O 3.39Å; F26-S33 WeakPolarHBondContact CE1-O 3.47Å; Y27-S33 PolarHBondContact N-OG 3.34Å; Y27-S33 PolarHBondContact O-OG 3.38Å; Y27-S33 VanDerWaalsContact O-OG 3.13Å; E30-S33 VanDerWaalsContact O-CB 3.31Å; E30-S33 WeakPolarHBondContact O-CB 3.45Å; E30-S33 PolarHBondContact O-N 2.9Å; E30-S33 PolarHBondContact O-OG 3Å; Q31-S33 PolarHBondContact O-N 3.39Å; S33-K35 PolarHBondContact O-N 2.86Å; S33-K35 VanDerWaalsContact O-N 3.08Å; S33-Q36 WeakPolarHBondContact O-CG 3.49Å; S33-Q36 PolarHBondContact O-NE2 3.47Å; S33-Q36 VanDerWaalsContact O-NE2 3.11Å
34	H	96.1	Very high	95.3	Very high	35 Å²	35	43.1 Å²	43.1	16%	0.162	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-64.9	-13.2	-176.3	-62.4	168	0	0	0	113.8	Y27 Q31 T32 R80 H81	Y27-H34 PolarHBondContact O-CD2 3.48Å; Y27-H34 PolarHBondContact O-NE2 3.4Å; Q31-H34 WeakPolarHBondContact O-CB 3.37Å; Q31-H34 PolarHBondContact O-N 3.39Å; T32-H34 VanDerWaalsContact C-N 3.26Å; T32-H34 PolarHBondContact O-N 3.36Å; H34-R80 CarbonylContact O-C 3.5Å; H34-R80 VanDerWaalsContact O-CA 3.24Å; H34-R80 WeakPolarHBondContact O-CA 3.18Å; H34-H81 PolarHBondContact O-N 3Å
35	K	96.8	Very high	95	Very high	105 Å²	105	48.9 Å²	48.9	46%	0.457	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115.3	172.8	179.7	-162.1	171.8	-162.2	0	108.1	S33 V78 R80	S33-K35 PolarHBondContact O-N 2.86Å; S33-K35 VanDerWaalsContact O-N 3.08Å; K35-V78 HydrophobicContact CD-CG1 4.25Å; K35-V78 HydrophobicContact CG-CG1 3.67Å; K35-R80 HydrophobicContact CB-CG 4.41Å; K35-R80 HydrophobicContact CG-CG 4.24Å
36	Q	96.7	Very high	94.8	Very high	36 Å²	36	49.6 Å²	49.6	17%	0.168	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	156.6	175.6	-66.9	-174.4	30.8	0	0	111.3	L24 V25 F26 S33 V78 I79	L24-Q36 HydrophobicContact CD2-CB 3.93Å; L24-Q36 VanDerWaalsContact CD2-OE1 3.26Å; V25-Q36 PolarHBondContact O-NE2 3Å; F26-Q36 HydrophobicContact CD1-CG 4.41Å; F26-Q36 HydrophobicContact CE1-CB 4.2Å; F26-Q36 HydrophobicContact CE1-CG 3.83Å; F26-Q36 HydrophobicContact CZ-CB 4.3Å; F26-Q36 HydrophobicContact CZ-CG 4.26Å; S33-Q36 WeakPolarHBondContact O-CG 3.49Å; S33-Q36 PolarHBondContact O-NE2 3.47Å; S33-Q36 VanDerWaalsContact O-NE2 3.11Å; Q36-V78 WeakPolarHBondContact O-CA 3.29Å; Q36-I79 PolarHBondContact N-O 3.33Å; Q36-I79 PolarHBondContact O-N 2.99Å
37	V	96.6	Very high	94.6	Very high	60 Å²	60	50.5 Å²	50.5	36%	0.364	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.8	178.7	-179.8	0	0	0	0	107.7	P21 D76 V78	P21-V37 VanDerWaalsContact CD-O 3.3Å; P21-V37 WeakPolarHBondContact CD-O 3.49Å; V37-D76 HydrophobicContact CG1-CB 3.61Å; V37-V78 HydrophobicContact CG2-CG2 4.49Å
38	L	96.3	Very high	94.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	113.1	170.2	-177.1	72.8	0	0	0	108.1	V19 F20 P21 I77 I79 L97 V113	V19-L38 HydrophobicContact CB-CD1 4.18Å; V19-L38 HydrophobicContact CG2-CD1 4.41Å; F20-L38 CarbonylContact O-C 3.6Å; F20-L38 WeakPolarHBondContact O-CA 3.28Å; P21-L38 VanDerWaalsContact O-CD1 3.24Å; P21-L38 WeakPolarHBondContact O-CD1 3.31Å; L38-I77 HydrophobicContact CB-CB 4.41Å; L38-I77 PolarHBondContact N-O 3.37Å; L38-I77 WeakPolarHBondContact O-CB 3.28Å; L38-I77 PolarHBondContact O-N 3.49Å; L38-I79 HydrophobicContact CB-CD1 4.16Å; L38-I79 HydrophobicContact CD2-CD1 4.2Å; L38-L97 HydrophobicContact CD2-CD1 3.51Å; L38-V113 HydrophobicContact CD1-CG1 4.12Å; L38-V113 HydrophobicContact CD1-CG2 4.04Å; L38-V113 HydrophobicContact CD2-CG2 4.16Å
39	T	97.1	Very high	94.6	Very high	36 Å²	36	52.7 Å²	52.7	22%	0.221	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	124.3	178.9	-56.3	0	0	0	0	109.8	V19 F20 C74 V75 D76	V19-T39 CarbonylContact C-O 3.51Å; V19-T39 VanDerWaalsContact CA-O 3.23Å; V19-T39 WeakPolarHBondContact CA-O 3.25Å; F20-T39 PolarHBondContact N-O 3.44Å; F20-T39 PolarHBondContact O-N 2.87Å; T39-C74 HydrophobicContact CG2-CB 3.84Å; T39-V75 CarbonylContact C-O 3.54Å; T39-V75 WeakPolarHBondContact CA-O 3.38Å; T39-D76 WeakPolarHBondContact CB-OD1 3.34Å; T39-D76 WeakPolarHBondContact CG2-OD1 3.2Å; T39-D76 PolarHBondContact OG1-OD1 3.45Å
40	L	96.5	Very high	94.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123.6	169.8	166.6	68.9	0	0	0	108.6	V17 F18 V19 F50 V69 C74 V75 I77 L97 V99	V17-L40 HydrophobicContact CG1-CD1 3.72Å; F18-L40 WeakPolarHBondContact O-CD1 3.43Å; V19-L40 HydrophobicContact CG1-CD1 4.06Å; L40-F50 HydrophobicContact CD2-CB 3.69Å; L40-F50 HydrophobicContact CD2-CD1 3.97Å; L40-F50 HydrophobicContact CD2-CG 3.86Å; L40-V69 HydrophobicContact CD2-CG2 3.72Å; L40-V69 HydrophobicContact CG-CG2 4.27Å; L40-C74 CarbonylContact O-C 3.45Å; L40-C74 VanDerWaalsContact O-CA 3.31Å; L40-C74 WeakPolarHBondContact O-CA 3.49Å; L40-V75 HydrophobicContact CB-CG1 3.88Å; L40-V75 HydrophobicContact CD2-CG1 4.19Å; L40-V75 HydrophobicContact CG-CG1 4.39Å; L40-V75 PolarHBondContact N-O 3.06Å; L40-V75 PolarHBondContact O-N 3.24Å; L40-I77 HydrophobicContact CB-CD1 4.45Å; L40-L97 HydrophobicContact CB-CD2 4.06Å; L40-L97 HydrophobicContact CD1-CD2 4.02Å; L40-L97 HydrophobicContact CD2-CD2 4.11Å; L40-L97 HydrophobicContact CG-CD2 4.29Å; L40-V99 HydrophobicContact CD1-CG1 4.4Å; L40-V99 HydrophobicContact CD2-CG1 4.26Å
41	Y	96.6	Very high	94.7	Very high	23 Å²	23	50.1 Å²	50.1	9%	0.09	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	135.1	174.6	173.2	-126.5	0	0	0	111	F18 P43 Q72 C73 L141	F18-Y41 HydrophobicContact CB-CD1 4.35Å; F18-Y41 PolarHBondContact O-N 3.3Å; Y41-P43 HydrophobicContact CD1-CB 4.24Å; Y41-P43 HydrophobicContact CD1-CG 4.49Å; Y41-P43 HydrophobicContact CE1-CB 3.54Å; Y41-P43 HydrophobicContact CE1-CG 4.25Å; Y41-P43 WeakPolarHBondContact O-CD 3.49Å; Y41-Q72 PolarHBondContact OH-OE1 3.37Å; Y41-C73 WeakPolarHBondContact CD2-O 3.45Å; Y41-L141 HydrophobicContact CD1-CD1 3.63Å; Y41-L141 HydrophobicContact CD2-CD1 4.34Å; Y41-L141 HydrophobicContact CE1-CD1 3.12Å; Y41-L141 HydrophobicContact CE2-CD1 3.97Å; Y41-L141 HydrophobicContact CG-CD1 4.21Å
42	N	95.4	Very high	94.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	99	173.3	-178.1	15.7	0	0	0	110.6	Y44 F46 L48 V69 K70 Q72 C73	N42-Y44 PolarHBondContact O-N 3.26Å; N42-Y44 WeakPolarHBondContact OD1-CB 3.48Å; N42-Y44 VanDerWaalsContact OD1-CD2 3.23Å; N42-Y44 WeakPolarHBondContact OD1-CD2 3.29Å; N42-Y44 PolarHBondContact OD1-N 3.05Å; N42-F46 PolarHBondContact ND2-O 3.23Å; N42-L48 HydrophobicContact CB-CD1 3.9Å; N42-L48 HydrophobicContact CB-CG 4.35Å; N42-L48 WeakPolarHBondContact OD1-CD1 3.33Å; N42-L48 WeakPolarHBondContact OD1-CG 3.47Å; N42-V69 HydrophobicContact CB-CB 4.09Å; N42-V69 HydrophobicContact CB-CG1 3.71Å; N42-V69 PolarHBondContact ND2-O 3.08Å; N42-K70 WeakPolarHBondContact CB-O 2.83Å; N42-K70 VanDerWaalsContact ND2-C 3.29Å; N42-K70 PolarHBondContact ND2-O 3.49Å; N42-Q72 WeakPolarHBondContact O-CA 3.23Å; N42-Q72 PolarHBondContact O-N 2.93Å; N42-C73 PolarHBondContact N-O 3.07Å
43	P	92.4	Very high	95	Very high	33 Å²	33	40.5 Å²	40.5	21%	0.214	20%	0.198	C	C	.	.			trans	-81.5	1.3	175	33.5	-35.9	0	0	0	113.8	F18 Y41 Q72	F18-P43 HydrophobicContact CD2-CG 3.57Å; F18-P43 HydrophobicContact CE2-CG 3.49Å; F18-P43 VanDerWaalsContact CE2-CG 3.49Å; F18-P43 HydrophobicContact CZ-CG 4.41Å; Y41-P43 HydrophobicContact CD1-CB 4.24Å; Y41-P43 HydrophobicContact CD1-CG 4.49Å; Y41-P43 HydrophobicContact CE1-CB 3.54Å; Y41-P43 HydrophobicContact CE1-CG 4.25Å; Y41-P43 WeakPolarHBondContact O-CD 3.49Å; P43-Q72 PolarHBondContact O-NE2 3.06Å
44	Y	91.6	Very high	95	Very high	43 Å²	43	41.8 Å²	41.8	17%	0.169	21%	0.206	C	C	.	.	S	Bend	trans	-92.8	156.4	-174	-52.4	-67.6	0	0	0	111.6	L15 P16 N42 F46 L48 P71	L15-Y44 HydrophobicContact CD1-CD1 4.16Å; L15-Y44 HydrophobicContact CD1-CD2 4.32Å; L15-Y44 HydrophobicContact CD1-CE1 3.52Å; L15-Y44 HydrophobicContact CD1-CE2 3.72Å; L15-Y44 WeakPolarHBondContact CD1-OH 3.3Å; L15-Y44 HydrophobicContact CD2-CD2 4.24Å; L15-Y44 HydrophobicContact CD2-CE2 3.78Å; L15-Y44 HydrophobicContact CG-CD2 4.49Å; L15-Y44 HydrophobicContact CG-CE1 4.33Å; L15-Y44 HydrophobicContact CG-CE2 3.67Å; L15-Y44 WeakPolarHBondContact CG-OH 3.28Å; P16-Y44 VanDerWaalsContact CD-OH 3.25Å; P16-Y44 WeakPolarHBondContact CD-OH 3.44Å; P16-Y44 PolarHBondContact O-OH 2.96Å; N42-Y44 PolarHBondContact O-N 3.26Å; N42-Y44 WeakPolarHBondContact OD1-CB 3.48Å; N42-Y44 VanDerWaalsContact OD1-CD2 3.23Å; N42-Y44 WeakPolarHBondContact OD1-CD2 3.29Å; N42-Y44 PolarHBondContact OD1-N 3.05Å; Y44-F46 HydrophobicContact CD1-CE1 4.36Å; Y44-F46 HydrophobicContact CD1-CZ 4.39Å; Y44-F46 HydrophobicContact CD2-CZ 4.24Å; Y44-F46 HydrophobicContact CG-CE1 4.04Å; Y44-F46 HydrophobicContact CG-CE2 4.49Å; Y44-F46 AromaticContact CG-CZ 3.89Å; Y44-F46 HydrophobicContact CG-CZ 3.89Å; Y44-F46 PolarHBondContact O-N 3.26Å; Y44-F46 VanDerWaalsContact O-N 3.16Å; Y44-L48 HydrophobicContact CD2-CD1 3.99Å; Y44-L48 HydrophobicContact CD2-CD2 4.15Å; Y44-L48 HydrophobicContact CD2-CG 4.34Å; Y44-L48 HydrophobicContact CE2-CD1 4.29Å; Y44-P71 WeakPolarHBondContact O-CA 3.33Å; Y44-P71 VanDerWaalsContact O-CB 3.28Å; Y44-P71 WeakPolarHBondContact O-CB 3.23Å
45	E	90	Very high	95	Very high	120 Å²	120	44.5 Å²	44.5	56%	0.561	23%	0.226	S	C	*	.	S	Bend	trans	-75.7	6.3	176.8	-65	-54.6	108.6	0	0	114	Q72	E45-Q72 PolarHBondContact OE1-NE2 2.99Å
46	F	90.9	Very high	94.9	Very high	50 Å²	50	40.1 Å²	40.1	22%	0.219	21%	0.209	C	C	.	.	S	Bend	trans	-129.6	153.5	179.3	57.1	-95.2	0	0	0	111.6	L10 L15 N42 Y44 L48 E101	L10-F46 HydrophobicContact CD1-CE1 4.26Å; L10-F46 HydrophobicContact CD1-CZ 3.96Å; L15-F46 HydrophobicContact CD1-CZ 4.35Å; L15-F46 HydrophobicContact CD2-CE2 4.43Å; L15-F46 HydrophobicContact CD2-CZ 4.29Å; N42-F46 PolarHBondContact ND2-O 3.23Å; Y44-F46 HydrophobicContact CD1-CE1 4.36Å; Y44-F46 HydrophobicContact CD1-CZ 4.39Å; Y44-F46 HydrophobicContact CD2-CZ 4.24Å; Y44-F46 HydrophobicContact CG-CE1 4.04Å; Y44-F46 HydrophobicContact CG-CE2 4.49Å; Y44-F46 AromaticContact CG-CZ 3.89Å; Y44-F46 HydrophobicContact CG-CZ 3.89Å; Y44-F46 PolarHBondContact O-N 3.26Å; Y44-F46 VanDerWaalsContact O-N 3.16Å; F46-L48 HydrophobicContact CD2-CD2 4.03Å; F46-L48 HydrophobicContact CE2-CD2 3.49Å; F46-L48 VanDerWaalsContact CE2-CD2 3.49Å; F46-L48 HydrophobicContact CZ-CD2 4.43Å; F46-L48 PolarHBondContact O-N 3.09Å; F46-E101 HydrophobicContact CD2-CB 4.12Å; F46-E101 HydrophobicContact CD2-CG 3.73Å; F46-E101 HydrophobicContact CE2-CB 4.12Å; F46-E101 HydrophobicContact CE2-CG 4.19Å; F46-E101 HydrophobicContact CG-CG 4.3Å
47	A	92.6	Very high	94.8	Very high	20 Å²	20	42.2 Å²	42.2	17%	0.165	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-70.9	130.3	179	0	0	0	0	0	111.1	V69 Q102	A47-V69 CarbonylContact C-O 3.53Å; A47-V69 VanDerWaalsContact CA-O 3.29Å; A47-V69 WeakPolarHBondContact CA-O 3.13Å; A47-Q102 HydrophobicContact CB-CB 4.16Å; A47-Q102 PolarHBondContact O-N 3.47Å
48	L	94.5	Very high	94.8	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	134.8	172.8	-65	179.7	0	0	0	110	L15 N42 Y44 F46 A68 V69 V99 S100	L15-L48 HydrophobicContact CD2-CD2 3.96Å; N42-L48 HydrophobicContact CB-CD1 3.9Å; N42-L48 HydrophobicContact CB-CG 4.35Å; N42-L48 WeakPolarHBondContact OD1-CD1 3.33Å; N42-L48 WeakPolarHBondContact OD1-CG 3.47Å; Y44-L48 HydrophobicContact CD2-CD1 3.99Å; Y44-L48 HydrophobicContact CD2-CD2 4.15Å; Y44-L48 HydrophobicContact CD2-CG 4.34Å; Y44-L48 HydrophobicContact CE2-CD1 4.29Å; F46-L48 HydrophobicContact CD2-CD2 4.03Å; F46-L48 HydrophobicContact CE2-CD2 3.49Å; F46-L48 VanDerWaalsContact CE2-CD2 3.49Å; F46-L48 HydrophobicContact CZ-CD2 4.43Å; F46-L48 PolarHBondContact O-N 3.09Å; L48-A68 CarbonylContact O-C 3.55Å; L48-A68 WeakPolarHBondContact O-CA 3.4Å; L48-V69 PolarHBondContact N-O 3.43Å; L48-V69 PolarHBondContact O-N 3.23Å; L48-V99 HydrophobicContact CD1-CB 4.41Å; L48-V99 HydrophobicContact CD1-CG1 4.41Å; L48-V99 HydrophobicContact CD2-CB 4.44Å; L48-S100 CarbonylContact C-O 3.58Å; L48-S100 WeakPolarHBondContact CA-O 3.24Å
49	K	95.4	Very high	94.8	Very high	89 Å²	89	46.7 Å²	46.7	39%	0.387	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	138	157.2	-77	174.4	174.3	154.3	0	108.3	G67 A68 V99 S100 Q102	K49-G67 WeakPolarHBondContact CA-O 3.25Å; K49-A68 HydrophobicContact CG-CB 4.47Å; K49-V99 CarbonylContact O-C 3.5Å; K49-V99 VanDerWaalsContact O-CA 3.24Å; K49-V99 WeakPolarHBondContact O-CA 3.25Å; K49-S100 PolarHBondContact N-O 2.94Å; K49-S100 PolarHBondContact O-N 3.33Å; K49-Q102 HydrophobicContact CG-CB 4.47Å; K49-Q102 PolarHBondContact NZ-O 3.04Å
50	F	95.5	Very high	94.8	Very high	11 Å²	11	45.2 Å²	45.2	5%	0.048	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	153.4	177.3	72.2	-90.8	0	0	0	112.1	L40 V52 T66 G67 V69 V75 I77 Q98 V99	L40-F50 HydrophobicContact CD2-CB 3.69Å; L40-F50 HydrophobicContact CD2-CD1 3.97Å; L40-F50 HydrophobicContact CD2-CG 3.86Å; F50-V52 HydrophobicContact CD2-CG2 4.2Å; F50-V52 HydrophobicContact CE2-CG2 4.38Å; F50-T66 VanDerWaalsContact O-CA 3.31Å; F50-T66 WeakPolarHBondContact O-CA 3.24Å; F50-G67 WeakPolarHBondContact CD1-O 3.27Å; F50-G67 PolarHBondContact N-O 3.33Å; F50-G67 PolarHBondContact O-N 2.96Å; F50-G67 VanDerWaalsContact O-N 3.12Å; F50-V69 HydrophobicContact CD1-CG2 3.78Å; F50-V69 HydrophobicContact CE1-CG2 4.04Å; F50-V75 HydrophobicContact CD1-CG1 4.25Å; F50-V75 HydrophobicContact CE1-CB 4.49Å; F50-V75 HydrophobicContact CE1-CG1 3.7Å; F50-V75 HydrophobicContact CE1-CG2 4.27Å; F50-V75 HydrophobicContact CZ-CG1 4.08Å; F50-V75 HydrophobicContact CZ-CG2 4.37Å; F50-I77 HydrophobicContact CD2-CD1 3.98Å; F50-I77 HydrophobicContact CE2-CD1 3.7Å; F50-I77 HydrophobicContact CE2-CG1 3.96Å; F50-I77 HydrophobicContact CZ-CD1 4.32Å; F50-I77 HydrophobicContact CZ-CG1 4.24Å; F50-Q98 CarbonylContact C-O 3.52Å; F50-Q98 VanDerWaalsContact CA-O 3.24Å; F50-Q98 WeakPolarHBondContact CA-O 3.11Å; F50-V99 HydrophobicContact CB-CG1 4.21Å
51	K	95.8	Very high	94.8	Very high	104 Å²	104	48.1 Å²	48.1	45%	0.452	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	131.9	170.7	-179.2	172.9	-171.1	-173.9	0	109.8	L53 A65 T66 Q98	K51-L53 HydrophobicContact CD-CD2 4.16Å; K51-L53 HydrophobicContact CG-CD2 4.21Å; K51-A65 CarbonylContact C-O 3.55Å; K51-A65 WeakPolarHBondContact CA-O 3.47Å; K51-T66 HydrophobicContact CB-CG2 4.05Å; K51-T66 HydrophobicContact CD-CG2 4.28Å; K51-T66 HydrophobicContact CG-CG2 3.78Å; K51-Q98 PolarHBondContact N-O 3.07Å; K51-Q98 PolarHBondContact O-N 3.4Å
52	V	97.1	Very high	94.9	Very high	10 Å²	10	48.6 Å²	48.6	6%	0.061	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.2	176	-171.5	0	0	0	0	108.8	F50 V62 A65 I77 F95 R96 L97	F50-V52 HydrophobicContact CD2-CG2 4.2Å; F50-V52 HydrophobicContact CE2-CG2 4.38Å; V52-V62 HydrophobicContact CB-CG1 4.18Å; V52-V62 HydrophobicContact CG1-CG1 4.12Å; V52-V62 HydrophobicContact CG1-CG2 4.49Å; V52-V62 HydrophobicContact CG2-CG1 4.46Å; V52-A65 HydrophobicContact CB-CB 4.46Å; V52-A65 PolarHBondContact N-O 3.34Å; V52-I77 HydrophobicContact CG2-CD1 3.88Å; V52-I77 HydrophobicContact CG2-CG2 4.2Å; V52-F95 HydrophobicContact CG1-CB 4.42Å; V52-F95 HydrophobicContact CG1-CD1 4.15Å; V52-R96 WeakPolarHBondContact CA-O 2.88Å; V52-L97 HydrophobicContact CG1-CD1 4.15Å; V52-L97 HydrophobicContact CG2-CD1 3.94Å; V52-L97 HydrophobicContact CG2-CG 4.09Å
53	L	96.2	Very high	94.8	Very high	63 Å²	63	51.1 Å²	51.1	33%	0.33	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	148.1	171.4	-55.4	174.4	0	0	0	109	K51 F95 R96	K51-L53 HydrophobicContact CD-CD2 4.16Å; K51-L53 HydrophobicContact CG-CD2 4.21Å; L53-F95 CarbonylContact O-C 3.57Å; L53-F95 VanDerWaalsContact O-CA 3.27Å; L53-F95 WeakPolarHBondContact O-CA 3.06Å; L53-R96 HydrophobicContact CB-CB 4.28Å; L53-R96 PolarHBondContact N-O 2.78Å; L53-R96 PolarHBondContact O-N 3.43Å
54	C	94.9	Very high	94.7	Very high	37 Å²	37	55.5 Å²	55.5	25%	0.25	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	137.9	-179.3	-179	0	0	0	0	110.1	A56 F95	C54-A56 VanDerWaalsContact C-N 3.33Å; C54-A56 PolarHBondContact SG-N 3.16Å; C54-A56 VanDerWaalsContact SG-N 3.36Å; C54-F95 HydrophobicContact CB-CD1 3.87Å; C54-F95 HydrophobicContact CB-CE1 3.76Å; C54-F95 WeakPolarHBondContact SG-CE1 3.49Å
55	T	95.6	Very high	94.8	Very high	92 Å²	92	55.1 Å²	55.1	56%	0.564	30%	0.302	S	S	*	.	S	Bend	trans	-75.7	-20.3	176	55.4	0	0	0	0	113.6	K94	T55-K94 HydrophobicContact CG2-CB 3.89Å; T55-K94 PolarHBondContact N-O 2.84Å; T55-K94 PolarHBondContact OG1-N 3.16Å; T55-K94 PolarHBondContact OG1-O 3.27Å
56	A	95.6	Very high	95	Very high	13 Å²	13	53.8 Å²	53.8	11%	0.107	30%	0.303	C	S	.	.			trans	-134	67	-175.8	0	0	0	0	0	113	C54 N58 K59 Y60 D93	C54-A56 VanDerWaalsContact C-N 3.33Å; C54-A56 PolarHBondContact SG-N 3.16Å; C54-A56 VanDerWaalsContact SG-N 3.36Å; A56-N58 PolarHBondContact O-N 3.48Å; A56-K59 HydrophobicContact CB-CB 4.28Å; A56-K59 HydrophobicContact CB-CD 4.4Å; A56-K59 HydrophobicContact CB-CG 4.39Å; A56-K59 PolarHBondContact O-N 3.34Å; A56-Y60 HydrophobicContact CB-CD2 4.23Å; A56-Y60 HydrophobicContact CB-CE2 4.14Å; A56-Y60 WeakPolarHBondContact O-CD2 3.28Å; A56-Y60 PolarHBondContact O-N 3.4Å; A56-D93 WeakPolarHBondContact CB-OD1 3.41Å
57	P	94.9	Very high	95.2	Very high	80 Å²	80	52.9 Å²	52.9	52%	0.519	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17	-177.6	27	-36.3	0	0	0	114.1	K59 K82	P57-K59 VanDerWaalsContact C-N 3.35Å; P57-K82 PolarHBondContact O-NZ 3.02Å
58	N	95.3	Very high	95.4	Very high	133 Å²	133	54.7 Å²	54.7	71%	0.711	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-23.1	174	-64.7	-23	0	0	0	112.9	A56 K82	A56-N58 PolarHBondContact O-N 3.48Å; N58-K82 WeakPolarHBondContact O-CE 3.32Å
59	K	96.4	Very high	95.4	Very high	20 Å²	20	54.8 Å²	54.8	9%	0.087	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-23.1	-179.2	-67	-171.4	-72.5	177.7	0	113.6	A56 P57 K82 D83 H88 D93	A56-K59 HydrophobicContact CB-CB 4.28Å; A56-K59 HydrophobicContact CB-CD 4.4Å; A56-K59 HydrophobicContact CB-CG 4.39Å; A56-K59 PolarHBondContact O-N 3.34Å; P57-K59 VanDerWaalsContact C-N 3.35Å; K59-K82 WeakPolarHBondContact O-CG 3.29Å; K59-K82 PolarHBondContact O-N 3.05Å; K59-D83 HydrophobicContact CB-CB 4.49Å; K59-D83 HydrophobicContact CG-CB 4.32Å; K59-H88 HydrophobicContact CD-CB 4.3Å; K59-D93 VanDerWaalsContact CE-OD1 3.27Å; K59-D93 WeakPolarHBondContact CE-OD1 3.5Å; K59-D93 WeakPolarHBondContact CE-OD2 3.2Å; K59-D93 IonicContact NZ-OD1 3.44Å; K59-D93 PolarHBondContact NZ-OD1 2.9Å; K59-D93 IonicContact NZ-OD2 2.71Å; K59-D93 PolarHBondContact NZ-OD2 3.47Å
60	Y	97.7	Very high	95.4	Very high	5 Å²	5	57.8 Å²	57.8	2%	0.02	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	159.9	-173.6	-55.3	-85.9	0	0	0	113.2	F26 A56 I79 R80 H81 K82 D93 F95 A115	F26-Y60 HydrophobicContact CD2-CE1 4.11Å; F26-Y60 HydrophobicContact CE2-CD1 4.44Å; F26-Y60 AromaticContact CE2-CE1 3.74Å; F26-Y60 HydrophobicContact CE2-CE1 3.74Å; F26-Y60 HydrophobicContact CZ-CE1 4.25Å; A56-Y60 HydrophobicContact CB-CD2 4.23Å; A56-Y60 HydrophobicContact CB-CE2 4.14Å; A56-Y60 WeakPolarHBondContact O-CD2 3.28Å; A56-Y60 PolarHBondContact O-N 3.4Å; Y60-I79 HydrophobicContact CD1-CG2 4.16Å; Y60-R80 CarbonylContact C-O 3.46Å; Y60-R80 WeakPolarHBondContact CA-O 3.18Å; Y60-H81 HydrophobicContact CD1-CB 4.25Å; Y60-H81 HydrophobicContact CE1-CB 4.22Å; Y60-H81 AromaticContact CE1-CD2 3.25Å; Y60-H81 WeakPolarHBondContact CE1-CD2 3.14Å; Y60-H81 AromaticContact CE1-CG 3.9Å; Y60-H81 AromaticContact CE1-NE2 3.88Å; Y60-H81 AromaticContact CZ-CD2 3.67Å; Y60-H81 AromaticContact CZ-NE2 3.83Å; Y60-K82 PolarHBondContact O-NZ 3.42Å; Y60-D93 HydrophobicContact CE2-CB 3.76Å; Y60-D93 WeakPolarHBondContact CE2-OD2 3.3Å; Y60-D93 PolarHBondContact OH-OD2 3.19Å; Y60-F95 HydrophobicContact CD1-CE2 4.32Å; Y60-F95 AromaticContact CD1-CZ 3.73Å; Y60-F95 HydrophobicContact CD1-CZ 3.73Å; Y60-F95 AromaticContact CD2-CZ 3.93Å; Y60-F95 HydrophobicContact CD2-CZ 3.93Å; Y60-F95 HydrophobicContact CE1-CE2 4.36Å; Y60-F95 HydrophobicContact CE1-CZ 4.2Å; Y60-F95 HydrophobicContact CE2-CZ 4.42Å; Y60-F95 HydrophobicContact CG-CE1 4.36Å; Y60-F95 HydrophobicContact CG-CE2 4.46Å; Y60-F95 AromaticContact CG-CZ 3.58Å; Y60-F95 HydrophobicContact CG-CZ 3.58Å; Y60-A115 HydrophobicContact CE1-CB 4.33Å
61	T	97.3	Very high	95.4	Very high	61 Å²	61	59.5 Å²	59.5	37%	0.374	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.8	164.1	-61.9	0	0	0	0	107.7	R80	T61-R80 PolarHBondContact N-O 3.08Å; T61-R80 PolarHBondContact O-N 3.4Å
62	V	97.3	Very high	95.3	Very high	33 Å²	33	57.8 Å²	57.8	20%	0.2	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	116.4	175	-174.2	0	0	0	0	107.4	V52 A65 I77 I79 F95	V52-V62 HydrophobicContact CB-CG1 4.18Å; V52-V62 HydrophobicContact CG1-CG1 4.12Å; V52-V62 HydrophobicContact CG1-CG2 4.49Å; V52-V62 HydrophobicContact CG2-CG1 4.46Å; V62-A65 HydrophobicContact CB-CB 4.15Å; V62-A65 HydrophobicContact CG1-CB 3.94Å; V62-I77 HydrophobicContact CG1-CG2 3.74Å; V62-I79 HydrophobicContact CG1-CG1 4.42Å; V62-I79 HydrophobicContact CG2-CG1 4.41Å; V62-F95 HydrophobicContact CG2-CD1 4.16Å; V62-F95 HydrophobicContact CG2-CE1 3.68Å
63	V	95.1	Very high	95.2	Very high	53 Å²	53	59.8 Å²	59.8	32%	0.321	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	131.7	174.2	-174.9	0	0	0	0	107.8	A65 V78	V63-A65 PolarHBondContact O-N 3.1Å; V63-V78 HydrophobicContact CB-CB 4.01Å; V63-V78 HydrophobicContact CG2-CB 3.95Å; V63-V78 HydrophobicContact CG2-CG1 4.27Å; V63-V78 PolarHBondContact N-O 3.27Å
64	D	88.7	Confident	95.2	Very high	125 Å²	125	60.5 Å²	60.5	67%	0.668	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	55.7	-179.5	-57.3	-39.3	0	0	0	112.7	T66	D64-T66 PolarHBondContact O-N 3.09Å
65	A	93.8	Very high	95.3	Very high	35 Å²	35	60.4 Å²	60.4	29%	0.289	36%	0.364	S	S	.	.	S	Bend	trans	-58.7	-10	-179.6	0	0	0	0	0	114.1	K51 V52 V62 V63	K51-A65 CarbonylContact C-O 3.55Å; K51-A65 WeakPolarHBondContact CA-O 3.47Å; V52-A65 HydrophobicContact CB-CB 4.46Å; V52-A65 PolarHBondContact N-O 3.34Å; V62-A65 HydrophobicContact CB-CB 4.15Å; V62-A65 HydrophobicContact CG1-CB 3.94Å; V63-A65 PolarHBondContact O-N 3.1Å
66	T	95.6	Very high	95.3	Very high	92 Å²	92	61 Å²	61	56%	0.564	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.2	141.9	171.5	53.8	0	0	0	0	109.4	F50 K51 D64	F50-T66 VanDerWaalsContact O-CA 3.31Å; F50-T66 WeakPolarHBondContact O-CA 3.24Å; K51-T66 HydrophobicContact CB-CG2 4.05Å; K51-T66 HydrophobicContact CD-CG2 4.28Å; K51-T66 HydrophobicContact CG-CG2 3.78Å; D64-T66 PolarHBondContact O-N 3.09Å
67	G	95.1	Very high	95.4	Very high	31 Å²	31	60.5 Å²	60.5	32%	0.32	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.9	-162.4	175.4	0	0	0	0	0	112.3	K49 F50	K49-G67 WeakPolarHBondContact CA-O 3.25Å; F50-G67 WeakPolarHBondContact CD1-O 3.27Å; F50-G67 PolarHBondContact N-O 3.33Å; F50-G67 PolarHBondContact O-N 2.96Å; F50-G67 VanDerWaalsContact O-N 3.12Å
68	A	95.2	Very high	95.5	Very high	58 Å²	58	58.1 Å²	58.1	48%	0.479	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.8	174.3	0	0	0	0	0	111.1	L48 K49	L48-A68 CarbonylContact O-C 3.55Å; L48-A68 WeakPolarHBondContact O-CA 3.4Å; K49-A68 HydrophobicContact CG-CB 4.47Å
69	V	95.4	Very high	95.6	Very high	5 Å²	5	51.8 Å²	51.8	3%	0.03	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.3	177.1	-163.9	0	0	0	0	107.8	L40 N42 A47 L48 F50 C73 V75	L40-V69 HydrophobicContact CD2-CG2 3.72Å; L40-V69 HydrophobicContact CG-CG2 4.27Å; N42-V69 HydrophobicContact CB-CB 4.09Å; N42-V69 HydrophobicContact CB-CG1 3.71Å; N42-V69 PolarHBondContact ND2-O 3.08Å; A47-V69 CarbonylContact C-O 3.53Å; A47-V69 VanDerWaalsContact CA-O 3.29Å; A47-V69 WeakPolarHBondContact CA-O 3.13Å; L48-V69 PolarHBondContact N-O 3.43Å; L48-V69 PolarHBondContact O-N 3.23Å; F50-V69 HydrophobicContact CD1-CG2 3.78Å; F50-V69 HydrophobicContact CE1-CG2 4.04Å; V69-C73 HydrophobicContact CG1-CB 4.2Å; V69-C73 VanDerWaalsContact CG1-O 3.26Å; V69-C73 WeakPolarHBondContact CG1-O 3.43Å; V69-V75 HydrophobicContact CG1-CB 4.49Å; V69-V75 HydrophobicContact CG2-CB 3.86Å; V69-V75 HydrophobicContact CG2-CG1 3.31Å
70	K	95.4	Very high	95.7	Very high	153 Å²	153	56.4 Å²	56.4	67%	0.665	33%	0.326	S	S	*	.			trans	-67.9	161.4	176.2	-69.5	-179.2	-177.2	178.4	0	110.9	N42 C73	N42-K70 WeakPolarHBondContact CB-O 2.83Å; N42-K70 VanDerWaalsContact ND2-C 3.29Å; N42-K70 PolarHBondContact ND2-O 3.49Å; K70-C73 HydrophobicContact CB-CB 4.03Å; K70-C73 WeakPolarHBondContact O-CB 3.48Å; K70-C73 PolarHBondContact O-N 3.4Å
71	P	94.4	Very high	95.6	Very high	47 Å²	47	56.6 Å²	56.6	31%	0.305	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	143.3	167.2	-25.4	34	0	0	0	111.8	Y44 C73	Y44-P71 WeakPolarHBondContact O-CA 3.33Å; Y44-P71 VanDerWaalsContact O-CB 3.28Å; Y44-P71 WeakPolarHBondContact O-CB 3.23Å; P71-C73 PolarHBondContact O-N 3.05Å; P71-C73 PolarHBondContact O-SG 2.93Å
72	Q	93.4	Very high	95.6	Very high	68 Å²	68	59.3 Å²	59.3	32%	0.318	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	30.7	177.1	-55	-55.1	-24.1	0	0	114.8	Y41 N42 P43 E45	Y41-Q72 PolarHBondContact OH-OE1 3.37Å; N42-Q72 WeakPolarHBondContact O-CA 3.23Å; N42-Q72 PolarHBondContact O-N 2.93Å; P43-Q72 PolarHBondContact O-NE2 3.06Å; E45-Q72 PolarHBondContact OE1-NE2 2.99Å
73	C	95.8	Very high	95.5	Very high	52 Å²	52	59.4 Å²	59.4	35%	0.351	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	164.5	-176.7	-70.2	0	0	0	0	112.3	Y41 N42 V69 K70 P71	Y41-C73 WeakPolarHBondContact CD2-O 3.45Å; N42-C73 PolarHBondContact N-O 3.07Å; V69-C73 HydrophobicContact CG1-CB 4.2Å; V69-C73 VanDerWaalsContact CG1-O 3.26Å; V69-C73 WeakPolarHBondContact CG1-O 3.43Å; K70-C73 HydrophobicContact CB-CB 4.03Å; K70-C73 WeakPolarHBondContact O-CB 3.48Å; K70-C73 PolarHBondContact O-N 3.4Å; P71-C73 PolarHBondContact O-N 3.05Å; P71-C73 PolarHBondContact O-SG 2.93Å
74	C	95.8	Very high	95.4	Very high	77 Å²	77	59.1 Å²	59.1	52%	0.52	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	154.5	172.9	-59.2	0	0	0	0	111.2	T39 L40	T39-C74 HydrophobicContact CG2-CB 3.84Å; L40-C74 CarbonylContact O-C 3.45Å; L40-C74 VanDerWaalsContact O-CA 3.31Å; L40-C74 WeakPolarHBondContact O-CA 3.49Å
75	V	96.7	Very high	95.7	Very high	36 Å²	36	59.3 Å²	59.3	22%	0.218	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	141	163.9	71.2	0	0	0	0	109.6	T39 L40 F50 V69 I77	T39-V75 CarbonylContact C-O 3.54Å; T39-V75 WeakPolarHBondContact CA-O 3.38Å; L40-V75 HydrophobicContact CB-CG1 3.88Å; L40-V75 HydrophobicContact CD2-CG1 4.19Å; L40-V75 HydrophobicContact CG-CG1 4.39Å; L40-V75 PolarHBondContact N-O 3.06Å; L40-V75 PolarHBondContact O-N 3.24Å; F50-V75 HydrophobicContact CD1-CG1 4.25Å; F50-V75 HydrophobicContact CE1-CB 4.49Å; F50-V75 HydrophobicContact CE1-CG1 3.7Å; F50-V75 HydrophobicContact CE1-CG2 4.27Å; F50-V75 HydrophobicContact CZ-CG1 4.08Å; F50-V75 HydrophobicContact CZ-CG2 4.37Å; V69-V75 HydrophobicContact CG1-CB 4.49Å; V69-V75 HydrophobicContact CG2-CB 3.86Å; V69-V75 HydrophobicContact CG2-CG1 3.31Å; V75-I77 HydrophobicContact CG1-CG1 4.48Å
76	D	96.6	Very high	95.7	Very high	103 Å²	103	61 Å²	61	55%	0.551	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.4	176.8	-73.1	-18.1	0	0	0	110.5	V37 T39	V37-D76 HydrophobicContact CG1-CB 3.61Å; T39-D76 WeakPolarHBondContact CB-OD1 3.34Å; T39-D76 WeakPolarHBondContact CG2-OD1 3.2Å; T39-D76 PolarHBondContact OG1-OD1 3.45Å
77	I	96.8	Very high	95.6	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.015	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	117.3	179.6	-56.8	165.7	0	0	0	107.7	L38 L40 F50 V52 V62 V75 L97	L38-I77 HydrophobicContact CB-CB 4.41Å; L38-I77 PolarHBondContact N-O 3.37Å; L38-I77 WeakPolarHBondContact O-CB 3.28Å; L38-I77 PolarHBondContact O-N 3.49Å; L40-I77 HydrophobicContact CB-CD1 4.45Å; F50-I77 HydrophobicContact CD2-CD1 3.98Å; F50-I77 HydrophobicContact CE2-CD1 3.7Å; F50-I77 HydrophobicContact CE2-CG1 3.96Å; F50-I77 HydrophobicContact CZ-CD1 4.32Å; F50-I77 HydrophobicContact CZ-CG1 4.24Å; V52-I77 HydrophobicContact CG2-CD1 3.88Å; V52-I77 HydrophobicContact CG2-CG2 4.2Å; V62-I77 HydrophobicContact CG1-CG2 3.74Å; V75-I77 HydrophobicContact CG1-CG1 4.48Å; I77-L97 HydrophobicContact CD1-CD2 4.02Å
78	V	97.3	Very high	95.5	Very high	31 Å²	31	60.7 Å²	60.7	19%	0.188	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	121.3	-177.9	-176	0	0	0	0	110.1	K35 Q36 V37 V63 R80	K35-V78 HydrophobicContact CD-CG1 4.25Å; K35-V78 HydrophobicContact CG-CG1 3.67Å; Q36-V78 WeakPolarHBondContact O-CA 3.29Å; V37-V78 HydrophobicContact CG2-CG2 4.49Å; V63-V78 HydrophobicContact CB-CB 4.01Å; V63-V78 HydrophobicContact CG2-CB 3.95Å; V63-V78 HydrophobicContact CG2-CG1 4.27Å; V63-V78 PolarHBondContact N-O 3.27Å; V78-R80 HydrophobicContact CG1-CG 4.28Å
79	I	97.8	Very high	95.5	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.1	176.1	-63.6	170.2	0	0	0	108.6	L24 F26 Q36 L38 Y60 V62 F95	L24-I79 HydrophobicContact CD1-CB 4.41Å; L24-I79 HydrophobicContact CD1-CD1 3.46Å; L24-I79 VanDerWaalsContact CD1-CD1 3.46Å; L24-I79 HydrophobicContact CD1-CG2 4.36Å; F26-I79 HydrophobicContact CZ-CG2 4.01Å; Q36-I79 PolarHBondContact N-O 3.33Å; Q36-I79 PolarHBondContact O-N 2.99Å; L38-I79 HydrophobicContact CB-CD1 4.16Å; L38-I79 HydrophobicContact CD2-CD1 4.2Å; Y60-I79 HydrophobicContact CD1-CG2 4.16Å; V62-I79 HydrophobicContact CG1-CG1 4.42Å; V62-I79 HydrophobicContact CG2-CG1 4.41Å; I79-F95 HydrophobicContact CD1-CD1 4.16Å; I79-F95 HydrophobicContact CD1-CD2 4.15Å; I79-F95 HydrophobicContact CD1-CE1 4.24Å; I79-F95 HydrophobicContact CD1-CE2 4.22Å; I79-F95 HydrophobicContact CD1-CG 4.11Å; I79-F95 HydrophobicContact CD1-CZ 4.27Å; I79-F95 HydrophobicContact CG2-CE1 4.04Å; I79-F95 HydrophobicContact CG2-CE2 3.9Å; I79-F95 HydrophobicContact CG2-CZ 3.44Å; I79-F95 VanDerWaalsContact CG2-CZ 3.44Å
80	R	97.6	Very high	95.2	Very high	117 Å²	117	63.9 Å²	63.9	44%	0.442	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.6	178.9	-65.3	177.4	-177.9	-97.7	6.9	110.9	H34 K35 Y60 T61 V78	H34-R80 CarbonylContact O-C 3.5Å; H34-R80 VanDerWaalsContact O-CA 3.24Å; H34-R80 WeakPolarHBondContact O-CA 3.18Å; K35-R80 HydrophobicContact CB-CG 4.41Å; K35-R80 HydrophobicContact CG-CG 4.24Å; Y60-R80 CarbonylContact C-O 3.46Å; Y60-R80 WeakPolarHBondContact CA-O 3.18Å; T61-R80 PolarHBondContact N-O 3.08Å; T61-R80 PolarHBondContact O-N 3.4Å; V78-R80 HydrophobicContact CG1-CG 4.28Å
81	H	97.1	Very high	95.2	Very high	9 Å²	9	59.4 Å²	59.4	4%	0.042	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	118.2	168.6	-160.3	-53.9	0	0	0	109.1	F26 H34 Y60 D83	F26-H81 HydrophobicContact CB-CB 4.48Å; F26-H81 HydrophobicContact CD1-CB 3.65Å; F26-H81 AromaticContact CD2-CD2 3.98Å; F26-H81 HydrophobicContact CE1-CB 3.97Å; F26-H81 HydrophobicContact CG-CB 3.97Å; F26-H81 AromaticContact CG-CD2 3.92Å; H34-H81 PolarHBondContact O-N 3Å; Y60-H81 HydrophobicContact CD1-CB 4.25Å; Y60-H81 HydrophobicContact CE1-CB 4.22Å; Y60-H81 AromaticContact CE1-CD2 3.25Å; Y60-H81 WeakPolarHBondContact CE1-CD2 3.14Å; Y60-H81 AromaticContact CE1-CG 3.9Å; Y60-H81 AromaticContact CE1-NE2 3.88Å; Y60-H81 AromaticContact CZ-CD2 3.67Å; Y60-H81 AromaticContact CZ-NE2 3.83Å; H81-D83 PolarHBondContact CE1-O 3.38Å; H81-D83 PolarHBondContact ND1-N 3.14Å
82	K	96	Very high	95.2	Very high	118 Å²	118	60.6 Å²	60.6	51%	0.513	34%	0.337	S	S	.	.			trans	-103.8	-20.3	-177	66.6	-176.5	176.1	-150	0	114.3	P57 N58 K59 Y60	P57-K82 PolarHBondContact O-NZ 3.02Å; N58-K82 WeakPolarHBondContact O-CE 3.32Å; K59-K82 WeakPolarHBondContact O-CG 3.29Å; K59-K82 PolarHBondContact O-N 3.05Å; Y60-K82 PolarHBondContact O-NZ 3.42Å
83	D	95.3	Very high	95.3	Very high	35 Å²	35	57.9 Å²	57.9	19%	0.187	33%	0.325	C	S	.	.			trans	-116.5	70.3	-172.2	-167.5	-1.6	0	0	0	113.3	K59 H81 R85 H88	K59-D83 HydrophobicContact CB-CB 4.49Å; K59-D83 HydrophobicContact CG-CB 4.32Å; H81-D83 PolarHBondContact CE1-O 3.38Å; H81-D83 PolarHBondContact ND1-N 3.14Å; D83-R85 PolarHBondContact O-N 3.03Å; D83-R85 VanDerWaalsContact O-N 3.1Å; D83-R85 WeakPolarHBondContact OD1-CD 3.49Å; D83-R85 WeakPolarHBondContact OD1-CG 3.49Å; D83-R85 IonicContact OD1-CZ 3.3Å; D83-R85 IonicContact OD1-NE 2.67Å; D83-R85 PolarHBondContact OD1-NE 3.49Å; D83-R85 IonicContact OD1-NH2 2.61Å; D83-R85 IonicContact OD2-CZ 3.48Å; D83-R85 IonicContact OD2-NE 2.68Å; D83-R85 PolarHBondContact OD2-NE 2.96Å; D83-R85 IonicContact OD2-NH2 3.54Å; D83-R85 PolarHBondContact OD2-NH2 3.43Å; D83-H88 PolarHBondContact O-ND1 3.42Å; D83-H88 VanDerWaalsContact O-ND1 3.09Å; D83-H88 IonicContact OD1-CE1 2.77Å; D83-H88 IonicContact OD2-CE1 2.95Å; D83-H88 PolarHBondContact OD2-CE1 2.94Å; D83-H88 VanDerWaalsContact OD2-CE1 3.23Å; D83-H88 IonicContact OD2-ND1 3.47Å
84	V	94.3	Very high	95.4	Very high	47 Å²	47	59.7 Å²	59.7	29%	0.285	33%	0.327	S	S	.	.			trans	-83.7	86.1	-172.8	-175.8	0	0	0	0	109.8	A28 L117	A28-V84 HydrophobicContact CB-CG1 3.59Å; V84-L117 HydrophobicContact CG1-CD1 4.28Å; V84-L117 HydrophobicContact CG1-CD2 4.29Å
85	R	94.8	Very high	95.5	Very high	129 Å²	129	56 Å²	56	49%	0.487	30%	0.302	S	S	.	.			trans	-128.9	150.6	-179.3	-70.3	-173.4	-69	164.9	-3.4	111.4	D83 C87 H88 Y89	D83-R85 PolarHBondContact O-N 3.03Å; D83-R85 VanDerWaalsContact O-N 3.1Å; D83-R85 WeakPolarHBondContact OD1-CD 3.49Å; D83-R85 WeakPolarHBondContact OD1-CG 3.49Å; D83-R85 IonicContact OD1-CZ 3.3Å; D83-R85 IonicContact OD1-NE 2.67Å; D83-R85 PolarHBondContact OD1-NE 3.49Å; D83-R85 IonicContact OD1-NH2 2.61Å; D83-R85 IonicContact OD2-CZ 3.48Å; D83-R85 IonicContact OD2-NE 2.68Å; D83-R85 PolarHBondContact OD2-NE 2.96Å; D83-R85 IonicContact OD2-NH2 3.54Å; D83-R85 PolarHBondContact OD2-NH2 3.43Å; R85-C87 PolarHBondContact O-N 2.91Å; R85-H88 PolarHBondContact NH2-CE1 3.39Å; R85-H88 PolarHBondContact O-N 3.34Å; R85-Y89 WeakPolarHBondContact O-CD1 3.37Å; R85-Y89 WeakPolarHBondContact O-CE1 3.26Å
86	A	93.2	Very high	95.5	Very high	70 Å²	70	59.1 Å²	59.1	58%	0.579	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-60	-28.1	-179.7	0	0	0	0	0	114.2	H88 Y89	A86-H88 PolarHBondContact O-N 2.97Å; A86-H88 VanDerWaalsContact O-N 3.16Å; A86-Y89 VanDerWaalsContact CA-CE2 3.46Å; A86-Y89 HydrophobicContact CB-CD2 4Å; A86-Y89 HydrophobicContact CB-CE2 3.64Å; A86-Y89 PolarHBondContact O-N 3.04Å
87	C	93.3	Very high	95.4	Very high	85 Å²	85	54.2 Å²	54.2	57%	0.574	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-66	-12.4	175	57.5	0	0	0	0	114.2	R85	R85-C87 PolarHBondContact O-N 2.91Å
88	H	93.4	Very high	95.3	Very high	31 Å²	31	56.2 Å²	56.2	14%	0.144	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-104.4	0.3	178.7	-57.7	148	0	0	0	113.4	K59 D83 R85 A86 G90 V91 L117	K59-H88 HydrophobicContact CD-CB 4.3Å; D83-H88 PolarHBondContact O-ND1 3.42Å; D83-H88 VanDerWaalsContact O-ND1 3.09Å; D83-H88 IonicContact OD1-CE1 2.77Å; D83-H88 IonicContact OD2-CE1 2.95Å; D83-H88 PolarHBondContact OD2-CE1 2.94Å; D83-H88 VanDerWaalsContact OD2-CE1 3.23Å; D83-H88 IonicContact OD2-ND1 3.47Å; R85-H88 PolarHBondContact NH2-CE1 3.39Å; R85-H88 PolarHBondContact O-N 3.34Å; A86-H88 PolarHBondContact O-N 2.97Å; A86-H88 VanDerWaalsContact O-N 3.16Å; H88-G90 PolarHBondContact O-N 2.79Å; H88-V91 WeakPolarHBondContact O-CB 3.32Å; H88-V91 PolarHBondContact O-N 3Å; H88-L117 HydrophobicContact CB-CD2 4.06Å
89	Y	94.4	Very high	95.2	Very high	85 Å²	85	54.8 Å²	54.8	33%	0.333	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-65.7	132.5	-179	-63.7	-12.5	0	0	0	111.4	A28 R85 A86 V91 L117 P119	A28-Y89 HydrophobicContact CB-CE1 3.49Å; A28-Y89 VanDerWaalsContact CB-CE1 3.49Å; A28-Y89 WeakPolarHBondContact CB-OH 3.28Å; R85-Y89 WeakPolarHBondContact O-CD1 3.37Å; R85-Y89 WeakPolarHBondContact O-CE1 3.26Å; A86-Y89 VanDerWaalsContact CA-CE2 3.46Å; A86-Y89 HydrophobicContact CB-CD2 4Å; A86-Y89 HydrophobicContact CB-CE2 3.64Å; A86-Y89 PolarHBondContact O-N 3.04Å; Y89-V91 PolarHBondContact O-N 2.86Å; Y89-L117 CarbonylContact C-O 3.58Å; Y89-L117 WeakPolarHBondContact CA-O 3.37Å; Y89-L117 HydrophobicContact CD1-CD2 3.74Å; Y89-L117 HydrophobicContact CD1-CG 3.86Å; Y89-L117 HydrophobicContact CE1-CD2 3.77Å; Y89-L117 HydrophobicContact CE1-CG 4.07Å; Y89-P119 HydrophobicContact CD2-CB 3.92Å; Y89-P119 HydrophobicContact CD2-CG 3.64Å; Y89-P119 HydrophobicContact CE2-CB 3.9Å; Y89-P119 HydrophobicContact CE2-CG 4.17Å; Y89-P119 HydrophobicContact CG-CG 4.02Å
90	G	90.8	Very high	94.9	Very high	46 Å²	46	55.7 Å²	55.7	47%	0.474	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	1.2	-179.3	0	0	0	0	0	114.8	H88 L117	H88-G90 PolarHBondContact O-N 2.79Å; G90-L117 PolarHBondContact N-O 3.08Å
91	V	94.4	Very high	94.5	Very high	58 Å²	58	52.1 Å²	52.1	35%	0.352	28%	0.279	S	S	.	.			trans	-75.9	126.1	174	-179.8	0	0	0	0	109.1	H88 Y89	H88-V91 WeakPolarHBondContact O-CB 3.32Å; H88-V91 PolarHBondContact O-N 3Å; Y89-V91 PolarHBondContact O-N 2.86Å
92	S	94.1	Very high	93.5	Very high	72 Å²	72	56.9 Å²	56.9	50%	0.503	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	111.3	176.3	-169.5	0	0	0	0	110.6
93	D	96.8	Very high	92.4	Very high	12 Å²	12	55.6 Å²	55.6	6%	0.064	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	164.6	171.4	-59.5	-61.5	0	0	0	111	A56 K59 Y60 T114 A115	A56-D93 WeakPolarHBondContact CB-OD1 3.41Å; K59-D93 VanDerWaalsContact CE-OD1 3.27Å; K59-D93 WeakPolarHBondContact CE-OD1 3.5Å; K59-D93 WeakPolarHBondContact CE-OD2 3.2Å; K59-D93 IonicContact NZ-OD1 3.44Å; K59-D93 PolarHBondContact NZ-OD1 2.9Å; K59-D93 IonicContact NZ-OD2 2.71Å; K59-D93 PolarHBondContact NZ-OD2 3.47Å; Y60-D93 HydrophobicContact CE2-CB 3.76Å; Y60-D93 WeakPolarHBondContact CE2-OD2 3.3Å; Y60-D93 PolarHBondContact OH-OD2 3.19Å; D93-T114 CarbonylContact O-C 3.54Å; D93-T114 WeakPolarHBondContact O-CA 3.31Å; D93-A115 HydrophobicContact CB-CB 4.42Å; D93-A115 PolarHBondContact N-O 2.91Å; D93-A115 PolarHBondContact O-N 2.76Å
94	K	97.2	Very high	91.3	Very high	89 Å²	89	57.7 Å²	57.7	39%	0.387	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.8	-178.9	-61.2	-176.1	169.6	-160.1	0	112.1	T55 E112	T55-K94 HydrophobicContact CG2-CB 3.89Å; T55-K94 PolarHBondContact N-O 2.84Å; T55-K94 PolarHBondContact OG1-N 3.16Å; T55-K94 PolarHBondContact OG1-O 3.27Å; K94-E112 IonicContact NZ-OE2 3.31Å; K94-E112 PolarHBondContact NZ-OE2 3.38Å
95	F	97.6	Very high	90	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	128.5	163.9	-64.3	-81.6	0	0	0	108.9	L24 V52 L53 C54 Y60 V62 I79 E112 V113 A115	L24-F95 HydrophobicContact CD1-CD2 4.02Å; L24-F95 HydrophobicContact CD1-CE2 4.08Å; V52-F95 HydrophobicContact CG1-CB 4.42Å; V52-F95 HydrophobicContact CG1-CD1 4.15Å; L53-F95 CarbonylContact O-C 3.57Å; L53-F95 VanDerWaalsContact O-CA 3.27Å; L53-F95 WeakPolarHBondContact O-CA 3.06Å; C54-F95 HydrophobicContact CB-CD1 3.87Å; C54-F95 HydrophobicContact CB-CE1 3.76Å; C54-F95 WeakPolarHBondContact SG-CE1 3.49Å; Y60-F95 HydrophobicContact CD1-CE2 4.32Å; Y60-F95 AromaticContact CD1-CZ 3.73Å; Y60-F95 HydrophobicContact CD1-CZ 3.73Å; Y60-F95 AromaticContact CD2-CZ 3.93Å; Y60-F95 HydrophobicContact CD2-CZ 3.93Å; Y60-F95 HydrophobicContact CE1-CE2 4.36Å; Y60-F95 HydrophobicContact CE1-CZ 4.2Å; Y60-F95 HydrophobicContact CE2-CZ 4.42Å; Y60-F95 HydrophobicContact CG-CE1 4.36Å; Y60-F95 HydrophobicContact CG-CE2 4.46Å; Y60-F95 AromaticContact CG-CZ 3.58Å; Y60-F95 HydrophobicContact CG-CZ 3.58Å; V62-F95 HydrophobicContact CG2-CD1 4.16Å; V62-F95 HydrophobicContact CG2-CE1 3.68Å; I79-F95 HydrophobicContact CD1-CD1 4.16Å; I79-F95 HydrophobicContact CD1-CD2 4.15Å; I79-F95 HydrophobicContact CD1-CE1 4.24Å; I79-F95 HydrophobicContact CD1-CE2 4.22Å; I79-F95 HydrophobicContact CD1-CG 4.11Å; I79-F95 HydrophobicContact CD1-CZ 4.27Å; I79-F95 HydrophobicContact CG2-CE1 4.04Å; I79-F95 HydrophobicContact CG2-CE2 3.9Å; I79-F95 HydrophobicContact CG2-CZ 3.44Å; I79-F95 VanDerWaalsContact CG2-CZ 3.44Å; F95-E112 CarbonylContact O-C 3.52Å; F95-E112 WeakPolarHBondContact O-CA 3.43Å; F95-V113 HydrophobicContact CB-CB 4.38Å; F95-V113 PolarHBondContact N-O 3.25Å; F95-V113 PolarHBondContact O-N 3.24Å; F95-A115 HydrophobicContact CD2-CB 3.88Å; F95-A115 HydrophobicContact CE2-CB 3.45Å; F95-A115 VanDerWaalsContact CE2-CB 3.45Å
96	R	96.2	Very high	89	Confident	102 Å²	102	66.1 Å²	66.1	39%	0.385	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	110.6	176.4	178.2	-178.8	-67	173.8	-1	109.1	V52 L53 Q98 K111 E112	V52-R96 WeakPolarHBondContact CA-O 2.88Å; L53-R96 HydrophobicContact CB-CB 4.28Å; L53-R96 PolarHBondContact N-O 2.78Å; L53-R96 PolarHBondContact O-N 3.43Å; R96-Q98 HydrophobicContact CG-CG 4.23Å; R96-K111 CarbonylContact C-O 3.53Å; R96-K111 WeakPolarHBondContact CA-O 3.26Å; R96-E112 IonicContact CZ-OE1 3.96Å; R96-E112 IonicContact NE-OE1 3.46Å; R96-E112 PolarHBondContact NE-OE1 2.91Å; R96-E112 IonicContact NH2-OE1 3.92Å; R96-E112 PolarHBondContact NH2-OE1 2.99Å
97	L	95.7	Very high	88.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	126.2	166.9	-94.9	76.2	0	0	0	109.3	V19 L38 L40 V52 I77 R110 K111	V19-L97 HydrophobicContact CG1-CD2 3.65Å; L38-L97 HydrophobicContact CD2-CD1 3.51Å; L40-L97 HydrophobicContact CB-CD2 4.06Å; L40-L97 HydrophobicContact CD1-CD2 4.02Å; L40-L97 HydrophobicContact CD2-CD2 4.11Å; L40-L97 HydrophobicContact CG-CD2 4.29Å; V52-L97 HydrophobicContact CG1-CD1 4.15Å; V52-L97 HydrophobicContact CG2-CD1 3.94Å; V52-L97 HydrophobicContact CG2-CG 4.09Å; I77-L97 HydrophobicContact CD1-CD2 4.02Å; L97-R110 CarbonylContact O-C 3.42Å; L97-R110 VanDerWaalsContact O-CA 3.25Å; L97-R110 WeakPolarHBondContact O-CA 3.23Å; L97-K111 PolarHBondContact N-O 3Å; L97-K111 PolarHBondContact O-N 3.21Å
98	Q	95	Very high	87.7	Confident	44 Å²	44	59.6 Å²	59.6	21%	0.206	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.5	168.5	-60.2	-172.8	-47.5	0	0	108	F50 K51 R96 R110	F50-Q98 CarbonylContact C-O 3.52Å; F50-Q98 VanDerWaalsContact CA-O 3.24Å; F50-Q98 WeakPolarHBondContact CA-O 3.11Å; K51-Q98 PolarHBondContact N-O 3.07Å; K51-Q98 PolarHBondContact O-N 3.4Å; R96-Q98 HydrophobicContact CG-CG 4.23Å; Q98-R110 HydrophobicContact CG-CG 4.35Å
99	V	94.6	Very high	87.6	Confident	2 Å²	2	58.1 Å²	58.1	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	145.6	174.1	-57.4	0	0	0	0	110.5	L15 V17 L40 L48 K49 F50 A107 L108 G109	L15-V99 HydrophobicContact CD2-CG2 4.02Å; V17-V99 HydrophobicContact CG1-CG1 4.02Å; V17-V99 HydrophobicContact CG2-CB 4.48Å; V17-V99 HydrophobicContact CG2-CG1 4.23Å; V17-V99 HydrophobicContact CG2-CG2 3.45Å; V17-V99 VanDerWaalsContact CG2-CG2 3.45Å; L40-V99 HydrophobicContact CD1-CG1 4.4Å; L40-V99 HydrophobicContact CD2-CG1 4.26Å; L48-V99 HydrophobicContact CD1-CB 4.41Å; L48-V99 HydrophobicContact CD1-CG1 4.41Å; L48-V99 HydrophobicContact CD2-CB 4.44Å; K49-V99 CarbonylContact O-C 3.5Å; K49-V99 VanDerWaalsContact O-CA 3.24Å; K49-V99 WeakPolarHBondContact O-CA 3.25Å; F50-V99 HydrophobicContact CB-CG1 4.21Å; V99-A107 CarbonylContact O-C 3.52Å; V99-L108 PolarHBondContact O-N 3.23Å; V99-G109 PolarHBondContact N-O 3.46Å; V99-G109 PolarHBondContact O-N 2.89Å; V99-G109 VanDerWaalsContact O-N 3.13Å
100	S	91.7	Very high	87.6	Confident	19 Å²	19	59.9 Å²	59.9	13%	0.133	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	158.3	170.1	71.5	0	0	0	0	109.4	L48 K49 Q104 K106	L48-S100 CarbonylContact C-O 3.58Å; L48-S100 WeakPolarHBondContact CA-O 3.24Å; K49-S100 PolarHBondContact N-O 2.94Å; K49-S100 PolarHBondContact O-N 3.33Å; S100-Q104 PolarHBondContact OG-O 3.32Å; S100-K106 WeakPolarHBondContact CB-O 3.48Å
101	E	88.7	Confident	87.8	Confident	41 Å²	41	61.4 Å²	61.4	19%	0.192	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	147.1	167.6	-175.3	-173.7	170.5	0	0	109.5	F46 S103 Q104 L108	F46-E101 HydrophobicContact CD2-CB 4.12Å; F46-E101 HydrophobicContact CD2-CG 3.73Å; F46-E101 HydrophobicContact CE2-CB 4.12Å; F46-E101 HydrophobicContact CE2-CG 4.19Å; F46-E101 HydrophobicContact CG-CG 4.3Å; E101-S103 WeakPolarHBondContact CG-OG 3.4Å; E101-S103 PolarHBondContact O-N 3.35Å; E101-S103 PolarHBondContact OE1-OG 2.7Å; E101-S103 PolarHBondContact OE2-OG 3.23Å; E101-Q104 HydrophobicContact CB-CB 4.33Å; E101-Q104 HydrophobicContact CB-CG 4.46Å; E101-Q104 CarbonylContact O-C 3.58Å; E101-Q104 PolarHBondContact O-N 2.94Å; E101-Q104 PolarHBondContact OE2-NE2 3.08Å; E101-L108 HydrophobicContact CB-CD1 3.52Å
102	Q	76	Confident	87.8	Confident	109 Å²	109	62.5 Å²	62.5	51%	0.509	29%	0.291	S	S	.	.	S	Bend	trans	-58.9	-34.5	-179.6	175.7	167.7	15.3	0	0	113.7	A47 K49	A47-Q102 HydrophobicContact CB-CB 4.16Å; A47-Q102 PolarHBondContact O-N 3.47Å; K49-Q102 HydrophobicContact CG-CB 4.47Å; K49-Q102 PolarHBondContact NZ-O 3.04Å
103	S	73.8	Confident	88	Confident	91 Å²	91	59.1 Å²	59.1	64%	0.636	27%	0.267	S	S	*	.	S	Bend	trans	-75.9	-27.6	180	62.9	0	0	0	0	112.6	E101	E101-S103 WeakPolarHBondContact CG-OG 3.4Å; E101-S103 PolarHBondContact O-N 3.35Å; E101-S103 PolarHBondContact OE1-OG 2.7Å; E101-S103 PolarHBondContact OE2-OG 3.23Å
104	Q	71.7	Confident	88	Confident	80 Å²	80	60.7 Å²	60.7	37%	0.374	28%	0.277	S	S	.	.			trans	-109.3	138	-175.5	-56.9	-166.8	36.5	0	0	112.2	S100 E101 K106	S100-Q104 PolarHBondContact OG-O 3.32Å; E101-Q104 HydrophobicContact CB-CB 4.33Å; E101-Q104 HydrophobicContact CB-CG 4.46Å; E101-Q104 CarbonylContact O-C 3.58Å; E101-Q104 PolarHBondContact O-N 2.94Å; E101-Q104 PolarHBondContact OE2-NE2 3.08Å; Q104-K106 VanDerWaalsContact C-N 3.32Å
105	R	66.1	Low	88	Confident	256 Å²	256	56.5 Å²	56.5	97%	0.966	26%	0.259	S	S	*	.			trans	-85	-4.7	175.4	-73.5	-173.2	177.1	-173.5	-0.3	114
106	K	74.5	Confident	88	Confident	97 Å²	97	57.1 Å²	57.1	42%	0.422	26%	0.263	S	S	.	.	S	Bend	trans	-84.2	134.3	-175.6	-159.5	178.9	-174.9	-165.7	0	110	E12 S100 Q104 L108	E12-K106 HydrophobicContact CB-CD 4.34Å; E12-K106 HydrophobicContact CB-CG 4.49Å; E12-K106 HydrophobicContact CG-CD 4.33Å; E12-K106 HydrophobicContact CG-CG 3.95Å; E12-K106 WeakPolarHBondContact OE2-CE 3.33Å; E12-K106 IonicContact OE2-NZ 3.81Å; S100-K106 WeakPolarHBondContact CB-O 3.48Å; Q104-K106 VanDerWaalsContact C-N 3.32Å; K106-L108 PolarHBondContact O-N 3.38Å; K106-L108 VanDerWaalsContact O-N 3.14Å
107	A	75.1	Confident	88	Confident	17 Å²	17	52.3 Å²	52.3	14%	0.14	25%	0.245	C	C	.	.			trans	-72.6	106.9	-177.7	0	0	0	0	0	110.5	E12 G13 V99	E12-A107 WeakPolarHBondContact CG-O 3.39Å; G13-A107 PolarHBondContact N-O 2.83Å; V99-A107 CarbonylContact O-C 3.52Å
108	L	84.1	Confident	87.9	Confident	0 Å²	0	58 Å²	58	0%	0	27%	0.266	C	S	.	.			trans	-78.7	-32.1	-175.9	-60.2	-177.6	0	0	0	112.4	L10 G13 S14 L15 V99 E101 K106	L10-L108 HydrophobicContact CB-CD2 4.09Å; L10-L108 HydrophobicContact CD1-CD1 3.96Å; G13-L108 CarbonylContact C-O 3.57Å; G13-L108 VanDerWaalsContact C-O 3.32Å; G13-L108 WeakPolarHBondContact CA-O 3.46Å; G13-L108 PolarHBondContact N-O 2.84Å; S14-L108 PolarHBondContact N-O 2.88Å; L15-L108 VanDerWaalsContact CB-C 3.45Å; L15-L108 HydrophobicContact CB-CB 3.9Å; L15-L108 WeakPolarHBondContact CB-O 3.08Å; L15-L108 HydrophobicContact CD2-CB 3.76Å; L15-L108 HydrophobicContact CD2-CD1 4.4Å; L15-L108 HydrophobicContact CG-CB 4.45Å; L15-L108 PolarHBondContact N-O 2.95Å; V99-L108 PolarHBondContact O-N 3.23Å; E101-L108 HydrophobicContact CB-CD1 3.52Å; K106-L108 PolarHBondContact O-N 3.38Å; K106-L108 VanDerWaalsContact O-N 3.14Å
109	G	91.4	Very high	87.8	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	155.3	-176	0	0	0	0	0	113.2	L15 V99	L15-G109 WeakPolarHBondContact O-CA 3.49Å; V99-G109 PolarHBondContact N-O 3.46Å; V99-G109 PolarHBondContact O-N 2.89Å; V99-G109 VanDerWaalsContact O-N 3.13Å
110	R	93.6	Very high	87.7	Confident	123 Å²	123	59.6 Å²	59.6	46%	0.464	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	141.9	179.3	-56.6	179.6	-173.2	172.9	4.7	111	E12 L97 Q98	E12-R110 IonicContact OE1-NH2 3.23Å; E12-R110 PolarHBondContact OE1-NH2 2.91Å; L97-R110 CarbonylContact O-C 3.42Å; L97-R110 VanDerWaalsContact O-CA 3.25Å; L97-R110 WeakPolarHBondContact O-CA 3.23Å; Q98-R110 HydrophobicContact CG-CG 4.35Å
111	K	94.8	Very high	87.3	Confident	77 Å²	77	60.2 Å²	60.2	34%	0.335	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	135.4	171.8	179.4	70.2	175.3	-170.2	0	110.5	V17 V19 R96 L97	V17-K111 HydrophobicContact CB-CB 3.84Å; V17-K111 HydrophobicContact CG1-CB 3.88Å; V19-K111 HydrophobicContact CG1-CG 4.21Å; V19-K111 HydrophobicContact CG2-CD 4.33Å; V19-K111 HydrophobicContact CG2-CG 3.55Å; R96-K111 CarbonylContact C-O 3.53Å; R96-K111 WeakPolarHBondContact CA-O 3.26Å; L97-K111 PolarHBondContact N-O 3Å; L97-K111 PolarHBondContact O-N 3.21Å
112	E	96.1	Very high	86.6	Confident	82 Å²	82	62.7 Å²	62.7	38%	0.383	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	138.9	170	-59.2	-162.3	159.6	0	0	109.7	K94 F95 R96	K94-E112 IonicContact NZ-OE2 3.31Å; K94-E112 PolarHBondContact NZ-OE2 3.38Å; F95-E112 CarbonylContact O-C 3.52Å; F95-E112 WeakPolarHBondContact O-CA 3.43Å; R96-E112 IonicContact CZ-OE1 3.96Å; R96-E112 IonicContact NE-OE1 3.46Å; R96-E112 PolarHBondContact NE-OE1 2.91Å; R96-E112 IonicContact NH2-OE1 3.92Å; R96-E112 PolarHBondContact NH2-OE1 2.99Å
113	V	96.8	Very high	86.1	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126.6	174.1	177.2	0	0	0	0	106.9	V19 L24 L38 F95	V19-V113 HydrophobicContact CG2-CG2 3.59Å; L24-V113 HydrophobicContact CD1-CG1 4.16Å; L24-V113 HydrophobicContact CG-CG1 4Å; L38-V113 HydrophobicContact CD1-CG1 4.12Å; L38-V113 HydrophobicContact CD1-CG2 4.04Å; L38-V113 HydrophobicContact CD2-CG2 4.16Å; F95-V113 HydrophobicContact CB-CB 4.38Å; F95-V113 PolarHBondContact N-O 3.25Å; F95-V113 PolarHBondContact O-N 3.24Å
114	T	97.4	Very high	85.6	Confident	46 Å²	46	65.3 Å²	65.3	28%	0.282	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	150.3	178.2	42.8	0	0	0	0	110.7	E23 L24 D93	E23-T114 CarbonylContact C-O 3.58Å; E23-T114 WeakPolarHBondContact CA-O 3.49Å; E23-T114 WeakPolarHBondContact CB-OG1 3.49Å; L24-T114 PolarHBondContact N-O 3.34Å; D93-T114 CarbonylContact O-C 3.54Å; D93-T114 WeakPolarHBondContact O-CA 3.31Å
115	A	97.3	Very high	84.8	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	131.2	174.3	0	0	0	0	0	110.6	L24 F26 Y60 D93 F95	L24-A115 HydrophobicContact CB-CB 4.12Å; L24-A115 CarbonylContact O-C 3.56Å; L24-A115 VanDerWaalsContact O-CA 3.23Å; L24-A115 WeakPolarHBondContact O-CA 3.29Å; F26-A115 HydrophobicContact CE2-CB 4.05Å; Y60-A115 HydrophobicContact CE1-CB 4.33Å; D93-A115 HydrophobicContact CB-CB 4.42Å; D93-A115 PolarHBondContact N-O 2.91Å; D93-A115 PolarHBondContact O-N 2.76Å; F95-A115 HydrophobicContact CD2-CB 3.88Å; F95-A115 HydrophobicContact CE2-CB 3.45Å; F95-A115 VanDerWaalsContact CE2-CB 3.45Å
116	T	96.8	Very high	83.8	Confident	13 Å²	13	60.9 Å²	60.9	8%	0.08	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134.9	-178.2	-48.8	0	0	0	0	110.4	L24 F26	L24-T116 PolarHBondContact O-N 3.45Å; F26-T116 PolarHBondContact N-O 3.37Å
117	L	96.4	Very high	82.8	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	127.5	167.5	-176.8	66.3	0	0	0	109.7	F26 A28 V84 H88 Y89 G90	F26-L117 HydrophobicContact CB-CD1 3.74Å; F26-L117 CarbonylContact O-C 3.55Å; F26-L117 WeakPolarHBondContact O-CA 3.36Å; A28-L117 HydrophobicContact CB-CD1 4.44Å; V84-L117 HydrophobicContact CG1-CD1 4.28Å; V84-L117 HydrophobicContact CG1-CD2 4.29Å; H88-L117 HydrophobicContact CB-CD2 4.06Å; Y89-L117 CarbonylContact C-O 3.58Å; Y89-L117 WeakPolarHBondContact CA-O 3.37Å; Y89-L117 HydrophobicContact CD1-CD2 3.74Å; Y89-L117 HydrophobicContact CD1-CG 3.86Å; Y89-L117 HydrophobicContact CE1-CD2 3.77Å; Y89-L117 HydrophobicContact CE1-CG 4.07Å; G90-L117 PolarHBondContact N-O 3.08Å
118	R	94.7	Very high	81.5	Confident	119 Å²	119	62.6 Å²	62.6	45%	0.449	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	153.9	178.4	-62.9	-65.8	-173	175.1	-0.1	110.4	V25 F26 Y27 A28	V25-R118 HydrophobicContact CG1-CG 3.8Å; F26-R118 PolarHBondContact O-N 2.78Å; Y27-R118 WeakPolarHBondContact CA-O 3.43Å; Y27-R118 HydrophobicContact CD1-CB 3.61Å; Y27-R118 HydrophobicContact CD1-CG 4.41Å; Y27-R118 HydrophobicContact CE1-CB 3.73Å; Y27-R118 HydrophobicContact CE1-CG 4.09Å; A28-R118 PolarHBondContact N-O 2.62Å
119	P	93	Very high	80	Confident	53 Å²	53	70.8 Å²	70.8	34%	0.344	38%	0.381	S	S	.	.	S	Bend	trans	-67.7	-43.4	178.1	-16	28.3	0	0	0	113	Y89	Y89-P119 HydrophobicContact CD2-CB 3.92Å; Y89-P119 HydrophobicContact CD2-CG 3.64Å; Y89-P119 HydrophobicContact CE2-CB 3.9Å; Y89-P119 HydrophobicContact CE2-CG 4.17Å; Y89-P119 HydrophobicContact CG-CG 4.02Å
120	S	91.4	Very high	78.4	Confident	27 Å²	27	75.3 Å²	75.3	19%	0.189	41%	0.41	C	S	.	.			trans	-152.1	144.6	-176.3	-177.4	0	0	0	0	113	Y27 D29 A122	Y27-S120 VanDerWaalsContact CD1-C 3.43Å; D29-S120 WeakPolarHBondContact OD1-CA 3.24Å; D29-S120 VanDerWaalsContact OD2-CA 3.3Å; D29-S120 WeakPolarHBondContact OD2-CA 3.34Å; D29-S120 WeakPolarHBondContact OD2-CB 3.46Å; D29-S120 PolarHBondContact OD2-OG 3.44Å; S120-A122 VanDerWaalsContact C-N 3.28Å; S120-A122 PolarHBondContact O-N 3.05Å; S120-A122 PolarHBondContact OG-N 2.99Å
121	A	82.9	Confident	76.6	Confident	33 Å²	33	74.2 Å²	74.2	27%	0.273	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-69.6	-22.6	173.5	0	0	0	0	0	113.3	Y27 Q123	Y27-A121 VanDerWaalsContact CD1-CA 3.49Å; Y27-A121 HydrophobicContact CD1-CB 3.87Å; Y27-A121 VanDerWaalsContact CD1-N 3.29Å; Y27-A121 HydrophobicContact CD2-CB 3.96Å; Y27-A121 VanDerWaalsContact CE1-CA 3.42Å; Y27-A121 HydrophobicContact CE1-CB 3.96Å; Y27-A121 HydrophobicContact CE2-CB 4.03Å; Y27-A121 HydrophobicContact CG-CB 3.88Å; A121-Q123 PolarHBondContact O-N 2.83Å
122	A	75.2	Confident	75	Confident	93 Å²	93	75.4 Å²	75.4	77%	0.769	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-76	-7.4	-176.7	0	0	0	0	0	114.5	S120	S120-A122 VanDerWaalsContact C-N 3.28Å; S120-A122 PolarHBondContact O-N 3.05Å; S120-A122 PolarHBondContact OG-N 2.99Å
123	Q	65.1	Low	73.3	Confident	146 Å²	146	74.6 Å²	74.6	68%	0.682	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-94.6	9	-178.3	-67.1	-176.9	0.3	0	0	113.5	A121 P125	A121-Q123 PolarHBondContact O-N 2.83Å; Q123-P125 WeakPolarHBondContact O-CD 3.4Å
124	E	62.9	Low	71.6	Confident	109 Å²	109	78.9 Å²	78.9	51%	0.509	43%	0.433	S	S	.	.			trans	-67	126.9	178.9	-76.2	-159.2	128	0	0	112.3	Y27	Y27-E124 VanDerWaalsContact OH-CD 3.29Å; Y27-E124 PolarHBondContact OH-OE1 3.16Å; Y27-E124 VanDerWaalsContact OH-OE1 3.05Å
125	P	55.7	Low	70	Confident	103 Å²	103	83.9 Å²	83.9	67%	0.669	45%	0.447	S	S	*	.			trans	-63.4	148.6	149.8	2.1	12.7	0	0	0	108.4	Q123 S127	Q123-P125 WeakPolarHBondContact O-CD 3.4Å; P125-S127 PolarHBondContact O-N 2.84Å
126	P	44.7	Very low	68.4	Low	139 Å²	139	89.8 Å²	89.8	90%	0.903	47%	0.474	S	S	*	.			trans	-64.3	95.5	-177.8	26.6	-32.9	0	0	0	110.5
127	S	53.5	Low	67	Low	64 Å²	64	91.4 Å²	91.4	45%	0.448	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-85.2	152.3	166.7	49.9	0	0	0	0	109.5	P125 R129	P125-S127 PolarHBondContact O-N 2.84Å; S127-R129 PolarHBondContact O-N 3.23Å
128	P	48.1	Very low	65.4	Low	86 Å²	86	99.8 Å²	99.8	56%	0.558	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-58.8	128.4	173	25.6	-31.7	0	0	0	108.2	E132	P128-E132 WeakPolarHBondContact CB-OE2 3.41Å
129	R	52.3	Low	63.9	Low	172 Å²	172	99.9 Å²	99.9	65%	0.649	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-58.9	154.4	-169.3	-62.7	176.7	176.9	167.2	0.1	110.8	S127 Q131 E132	S127-R129 PolarHBondContact O-N 3.23Å; R129-Q131 HydrophobicContact CB-CB 4.24Å; R129-Q131 PolarHBondContact O-N 2.81Å; R129-E132 PolarHBondContact O-N 3.46Å
130	P	57.2	Low	62.4	Low	95 Å²	95	103.7 Å²	103.7	62%	0.617	53%	0.532	S	S	*	.	H	α-helix	trans	-50.9	-26.8	169.1	-25.2	32.3	0	0	0	113.2	E132 E134	P130-E132 VanDerWaalsContact C-N 3.33Å; P130-E132 PolarHBondContact O-N 3.39Å; P130-E134 WeakPolarHBondContact O-CB 3.13Å; P130-E134 PolarHBondContact O-N 3.34Å
131	Q	55.9	Low	61	Low	101 Å²	101	105.3 Å²	105.3	47%	0.472	54%	0.538	S	S	.	.	H	α-helix	trans	-66	-28.1	176.4	-167.5	172.2	42.8	0	0	113.9	R129 R135	R129-Q131 HydrophobicContact CB-CB 4.24Å; R129-Q131 PolarHBondContact O-N 2.81Å; Q131-R135 VanDerWaalsContact O-CB 3.3Å; Q131-R135 WeakPolarHBondContact O-CB 3.24Å; Q131-R135 WeakPolarHBondContact O-CG 3.42Å; Q131-R135 PolarHBondContact O-N 3.48Å
132	E	60.9	Low	59.8	Low	101 Å²	101	106.6 Å²	106.6	47%	0.472	55%	0.549	S	S	.	.	H	α-helix	trans	-77.6	-42.4	178.1	-69.1	178.5	-163.2	0	0	111.2	P128 R129 P130 E134 R135 Q136	P128-E132 WeakPolarHBondContact CB-OE2 3.41Å; R129-E132 PolarHBondContact O-N 3.46Å; P130-E132 VanDerWaalsContact C-N 3.33Å; P130-E132 PolarHBondContact O-N 3.39Å; E132-E134 VanDerWaalsContact C-N 3.34Å; E132-R135 PolarHBondContact O-N 2.94Å; E132-Q136 WeakPolarHBondContact O-CG 3.35Å; E132-Q136 PolarHBondContact O-N 3.47Å
133	E	61	Low	58.7	Low	66 Å²	66	107.8 Å²	107.8	31%	0.308	54%	0.542	S	S	.	.	H	α-helix	trans	-63.6	-40.6	171.5	-62.1	-165.2	153.2	0	0	111.4	F20 R135 Q136 M137	F20-E133 HydrophobicContact CE2-CB 4.08Å; E133-R135 VanDerWaalsContact C-N 3.32Å; E133-R135 PolarHBondContact O-N 2.95Å; E133-Q136 PolarHBondContact O-N 2.96Å; E133-M137 WeakPolarHBondContact O-CB 3.43Å; E133-M137 PolarHBondContact O-N 3.23Å
134	E	61.3	Low	58.2	Low	89 Å²	89	103.2 Å²	103.2	42%	0.416	53%	0.526	S	S	.	.	H	α-helix	trans	-63.3	-39	174.1	-161.8	-173.3	121.3	0	0	111.5	F20 P130 E132 R138	F20-E134 HydrophobicContact CE1-CB 4.24Å; F20-E134 HydrophobicContact CE1-CG 4.01Å; F20-E134 HydrophobicContact CE2-CB 3.94Å; F20-E134 HydrophobicContact CE2-CG 4.44Å; F20-E134 HydrophobicContact CZ-CB 3.56Å; F20-E134 HydrophobicContact CZ-CG 3.86Å; P130-E134 WeakPolarHBondContact O-CB 3.13Å; P130-E134 PolarHBondContact O-N 3.34Å; E132-E134 VanDerWaalsContact C-N 3.34Å; E134-R138 VanDerWaalsContact O-CB 3.26Å; E134-R138 WeakPolarHBondContact O-CB 3.22Å; E134-R138 WeakPolarHBondContact O-CG 3.35Å; E134-R138 PolarHBondContact O-N 3.15Å
135	R	64.1	Low	57.6	Low	152 Å²	152	102 Å²	102	57%	0.574	53%	0.526	S	S	*	.	H	α-helix	trans	-66.9	-48.8	175.7	-84.3	180	-176.3	-168.5	3.3	111.8	Q131 E132 E133 M137 R138 E139	Q131-R135 VanDerWaalsContact O-CB 3.3Å; Q131-R135 WeakPolarHBondContact O-CB 3.24Å; Q131-R135 WeakPolarHBondContact O-CG 3.42Å; Q131-R135 PolarHBondContact O-N 3.48Å; E132-R135 PolarHBondContact O-N 2.94Å; E133-R135 VanDerWaalsContact C-N 3.32Å; E133-R135 PolarHBondContact O-N 2.95Å; R135-M137 VanDerWaalsContact C-N 3.3Å; R135-M137 PolarHBondContact O-N 3.06Å; R135-R138 CarbonylContact O-C 3.32Å; R135-R138 WeakPolarHBondContact O-CB 3.3Å; R135-R138 PolarHBondContact O-N 2.86Å; R135-R138 VanDerWaalsContact O-N 3.15Å; R135-E139 WeakPolarHBondContact O-CB 3.39Å; R135-E139 VanDerWaalsContact O-CG 3.27Å; R135-E139 WeakPolarHBondContact O-CG 3.27Å; R135-E139 PolarHBondContact O-N 2.7Å
136	Q	63.4	Low	57.1	Low	123 Å²	123	104 Å²	104	58%	0.575	52%	0.524	S	S	*	.	H	α-helix	trans	-59.8	-42.3	177.9	-78.4	-177.6	-29.2	0	0	111.2	E132 E133 E139 Q140	E132-Q136 WeakPolarHBondContact O-CG 3.35Å; E132-Q136 PolarHBondContact O-N 3.47Å; E133-Q136 PolarHBondContact O-N 2.96Å; Q136-E139 PolarHBondContact O-N 3.31Å; Q136-Q140 WeakPolarHBondContact O-CG 3.5Å; Q136-Q140 PolarHBondContact O-N 3.14Å
137	M	66.5	Low	57.1	Low	48 Å²	48	104.7 Å²	104.7	24%	0.236	51%	0.513	C	S	.	.	H	α-helix	trans	-69.8	-37.8	175.9	-172.2	167.6	173.7	0	0	112.1	F18 F20 E133 R135 E139 Q140 L141	F18-M137 HydrophobicContact CB-CE 4.09Å; F20-M137 HydrophobicContact CB-SD 3.83Å; F20-M137 HydrophobicContact CD2-SD 4.45Å; F20-M137 HydrophobicContact CG-SD 4.47Å; E133-M137 WeakPolarHBondContact O-CB 3.43Å; E133-M137 PolarHBondContact O-N 3.23Å; R135-M137 VanDerWaalsContact C-N 3.3Å; R135-M137 PolarHBondContact O-N 3.06Å; M137-E139 VanDerWaalsContact C-N 3.29Å; M137-E139 PolarHBondContact O-N 2.8Å; M137-Q140 PolarHBondContact O-N 2.89Å; M137-L141 VanDerWaalsContact O-CB 3.28Å; M137-L141 WeakPolarHBondContact O-CB 3.23Å; M137-L141 PolarHBondContact O-N 2.78Å
138	R	63.8	Low	56.8	Low	176 Å²	176	105 Å²	105	66%	0.664	51%	0.508	S	S	*	.	H	α-helix	trans	-62.2	-36.5	172.3	-88.5	-176.7	133.5	-164.2	-2.1	112.5	E134 R135 L141 A142	E134-R138 VanDerWaalsContact O-CB 3.26Å; E134-R138 WeakPolarHBondContact O-CB 3.22Å; E134-R138 WeakPolarHBondContact O-CG 3.35Å; E134-R138 PolarHBondContact O-N 3.15Å; R135-R138 CarbonylContact O-C 3.32Å; R135-R138 WeakPolarHBondContact O-CB 3.3Å; R135-R138 PolarHBondContact O-N 2.86Å; R135-R138 VanDerWaalsContact O-N 3.15Å; R138-L141 PolarHBondContact O-N 2.87Å; R138-A142 WeakPolarHBondContact O-CB 3.45Å; R138-A142 PolarHBondContact O-N 3.2Å
139	E	63.6	Low	56.4	Low	121 Å²	121	108.4 Å²	108.4	57%	0.565	52%	0.516	S	S	*	.	H	α-helix	trans	-67	-46.3	174.8	-72.9	168.1	163.8	0	0	110.4	R135 Q136 M137 L141 A142 D143	R135-E139 WeakPolarHBondContact O-CB 3.39Å; R135-E139 VanDerWaalsContact O-CG 3.27Å; R135-E139 WeakPolarHBondContact O-CG 3.27Å; R135-E139 PolarHBondContact O-N 2.7Å; Q136-E139 PolarHBondContact O-N 3.31Å; M137-E139 VanDerWaalsContact C-N 3.29Å; M137-E139 PolarHBondContact O-N 2.8Å; E139-L141 VanDerWaalsContact C-N 3.29Å; E139-L141 PolarHBondContact O-N 3.41Å; E139-A142 PolarHBondContact O-N 3.25Å; E139-D143 PolarHBondContact O-N 2.81Å
140	Q	60.2	Low	55.9	Low	134 Å²	134	105.4 Å²	105.4	63%	0.626	52%	0.517	S	S	*	.	H	α-helix	trans	-61.5	-37.1	173	-69.5	179.4	-92.1	0	0	112.5	Q136 M137 S144	Q136-Q140 WeakPolarHBondContact O-CG 3.5Å; Q136-Q140 PolarHBondContact O-N 3.14Å; M137-Q140 PolarHBondContact O-N 2.89Å; Q140-S144 PolarHBondContact O-N 2.9Å; Q140-S144 VanDerWaalsContact O-N 3.07Å; Q140-S144 PolarHBondContact O-OG 3.13Å
141	L	63	Low	55	Low	61 Å²	61	105.1 Å²	105.1	32%	0.319	51%	0.514	S	S	.	.	H	α-helix	trans	-65.7	-45.6	174.8	-166	73.2	0	0	0	110.3	Y41 M137 R138 E139 D143 S144 V145	Y41-L141 HydrophobicContact CD1-CD1 3.63Å; Y41-L141 HydrophobicContact CD2-CD1 4.34Å; Y41-L141 HydrophobicContact CE1-CD1 3.12Å; Y41-L141 HydrophobicContact CE2-CD1 3.97Å; Y41-L141 HydrophobicContact CG-CD1 4.21Å; M137-L141 VanDerWaalsContact O-CB 3.28Å; M137-L141 WeakPolarHBondContact O-CB 3.23Å; M137-L141 PolarHBondContact O-N 2.78Å; R138-L141 PolarHBondContact O-N 2.87Å; E139-L141 VanDerWaalsContact C-N 3.29Å; E139-L141 PolarHBondContact O-N 3.41Å; L141-D143 PolarHBondContact O-N 2.89Å; L141-S144 WeakPolarHBondContact CA-OG 3.39Å; L141-S144 PolarHBondContact O-N 3.46Å; L141-S144 PolarHBondContact O-OG 2.96Å; L141-V145 VanDerWaalsContact O-CG2 3.28Å; L141-V145 WeakPolarHBondContact O-CG2 3.31Å; L141-V145 PolarHBondContact O-N 2.92Å
142	A	58.1	Low	54	Low	59 Å²	59	107.7 Å²	107.7	49%	0.488	52%	0.524	S	S	.	.	H	α-helix	trans	-61.9	-40.8	177.1	0	0	0	0	0	112.2	R138 E139 V145 F146	R138-A142 WeakPolarHBondContact O-CB 3.45Å; R138-A142 PolarHBondContact O-N 3.2Å; E139-A142 PolarHBondContact O-N 3.25Å; A142-V145 PolarHBondContact O-N 2.95Å; A142-F146 WeakPolarHBondContact O-CB 3.44Å; A142-F146 PolarHBondContact O-N 2.85Å
143	D	52.6	Low	52.8	Low	119 Å²	119	111.5 Å²	111.5	64%	0.636	54%	0.541	S	S	*	.	H	α-helix	trans	-64.3	-38.4	175.1	-88.6	-12.6	0	0	0	112.2	E139 L141 F146 F147	E139-D143 PolarHBondContact O-N 2.81Å; L141-D143 PolarHBondContact O-N 2.89Å; D143-F146 PolarHBondContact O-N 3.42Å; D143-F147 PolarHBondContact O-N 3.46Å
144	S	52.6	Low	51.7	Low	49 Å²	49	114.6 Å²	114.6	34%	0.343	57%	0.565	S	S	.	*	H	α-helix	trans	-67.7	-36.9	176.2	65.2	0	0	0	0	113	Q140 L141 F146 F147 E148	Q140-S144 PolarHBondContact O-N 2.9Å; Q140-S144 VanDerWaalsContact O-N 3.07Å; Q140-S144 PolarHBondContact O-OG 3.13Å; L141-S144 WeakPolarHBondContact CA-OG 3.39Å; L141-S144 PolarHBondContact O-N 3.46Å; L141-S144 PolarHBondContact O-OG 2.96Å; S144-F146 VanDerWaalsContact C-N 3.3Å; S144-F146 PolarHBondContact O-N 3.36Å; S144-F147 PolarHBondContact O-N 2.84Å; S144-E148 PolarHBondContact O-N 2.99Å
145	V	51.8	Low	50.5	Low	83 Å²	83	119.3 Å²	119.3	50%	0.503	59%	0.587	S	S	.	*	H	α-helix	trans	-68.3	-32	173.9	178.8	0	0	0	0	111	L141 A142	L141-V145 VanDerWaalsContact O-CG2 3.28Å; L141-V145 WeakPolarHBondContact O-CG2 3.31Å; L141-V145 PolarHBondContact O-N 2.92Å; A142-V145 PolarHBondContact O-N 2.95Å
146	F	44.4	Very low	49	Very low	145 Å²	145	117.6 Å²	117.6	64%	0.636	60%	0.598	S	S	*	*	H	α-helix	trans	-71.8	-33.2	176.3	-158.1	-97	0	0	0	112.8	A142 D143 S144 Q149 T150	A142-F146 WeakPolarHBondContact O-CB 3.44Å; A142-F146 PolarHBondContact O-N 2.85Å; D143-F146 PolarHBondContact O-N 3.42Å; S144-F146 VanDerWaalsContact C-N 3.3Å; S144-F146 PolarHBondContact O-N 3.36Å; F146-Q149 PolarHBondContact O-N 3.26Å; F146-T150 PolarHBondContact O-OG1 2.95Å
147	F	44.6	Very low	47.6	Very low	154 Å²	154	122.7 Å²	122.7	68%	0.675	61%	0.612	S	S	*	*	H	α-helix	trans	-71.3	-31.6	176.7	-164.3	-98.7	0	0	0	112.9	D143 S144 T150 T151	D143-F147 PolarHBondContact O-N 3.46Å; S144-F147 PolarHBondContact O-N 2.84Å; F147-T150 PolarHBondContact O-N 2.93Å; F147-T151 PolarHBondContact O-OG1 3.3Å; F147-T151 VanDerWaalsContact O-OG1 3.09Å
148	E	47.2	Very low	46.1	Very low	72 Å²	72	124.4 Å²	124.4	34%	0.336	63%	0.629	S	S	.	*	H	α-helix	trans	-66.1	-35.4	173.1	-99.3	-123.8	90.7	0	0	113.1	S144 T150 T151 F152	S144-E148 PolarHBondContact O-N 2.99Å; E148-T150 PolarHBondContact O-N 2.98Å; E148-T150 VanDerWaalsContact O-N 3.16Å; E148-T151 PolarHBondContact O-N 2.77Å; E148-F152 VanDerWaalsContact OE1-CD2 3.23Å; E148-F152 WeakPolarHBondContact OE1-CD2 3.37Å; E148-F152 WeakPolarHBondContact OE1-CE2 3.15Å
149	Q	39.3	Very low	44.6	Very low	157 Å²	157	124.5 Å²	124.5	73%	0.734	64%	0.637	S	S	*	*	H	α-helix	trans	-67	-15.6	177.8	-102.4	-174.5	-59	0	0	113.9	F146	F146-Q149 PolarHBondContact O-N 3.26Å
150	T	42.4	Very low	43.4	Very low	108 Å²	108	124.4 Å²	124.4	66%	0.663	65%	0.65	S	S	*	*	H	α-helix	trans	-95.3	-12.7	179.7	-39.7	0	0	0	0	112.7	F146 F147 E148	F146-T150 PolarHBondContact O-OG1 2.95Å; F147-T150 PolarHBondContact O-N 2.93Å; E148-T150 PolarHBondContact O-N 2.98Å; E148-T150 VanDerWaalsContact O-N 3.16Å
151	T	38.7	Very low	42.9	Very low	89 Å²	89	121.8 Å²	121.8	55%	0.546	66%	0.659	S	S	.	*	H	α-helix	trans	-111.4	-10.2	-169	-39.9	0	0	0	0	114.2	F147 E148	F147-T151 PolarHBondContact O-OG1 3.3Å; F147-T151 VanDerWaalsContact O-OG1 3.09Å; E148-T151 PolarHBondContact O-N 2.77Å
152	F	34.7	Very low	42.5	Very low	155 Å²	155	122 Å²	122	68%	0.68	68%	0.675	S	S	*	*	S	Bend	trans	-95.6	17.9	177.6	-86.9	-90.9	0	0	0	115.7	E148	E148-F152 VanDerWaalsContact OE1-CD2 3.23Å; E148-F152 WeakPolarHBondContact OE1-CD2 3.37Å; E148-F152 WeakPolarHBondContact OE1-CE2 3.15Å
153	Q	35.6	Very low	42.2	Very low	181 Å²	181	124.6 Å²	124.6	85%	0.846	69%	0.687	S	S	*	*			trans	-116.7	66.4	167.5	-75.5	-139.5	60.5	0	0	111.2
154	T	38.7	Very low	42.6	Very low	131 Å²	131	121.9 Å²	121.9	80%	0.804	68%	0.678	S	S	*	*			trans	-141.2	72.5	157.7	-59.3	0	0	0	0	108.9
155	E	35.3	Very low	43	Very low	189 Å²	189	125.9 Å²	125.9	88%	0.883	70%	0.695	S	S	*	*	S	Bend	trans	-169.9	86.9	136.5	-106.5	-162.6	105.2	0	0	109
156	S	32.7	Very low	43.3	Very low	115 Å²	115	128.1 Å²	128.1	80%	0.804	70%	0.703	S	S	*	*	S	Bend	trans	170.7	111.4	130.1	44.8	0	0	0	0	109.9
157	R	32.9	Very low	44.2	Very low	230 Å²	230	124.5 Å²	124.5	87%	0.868	69%	0.693	S	S	*	*			trans	65.8	93.1	131.6	-158.6	160	-175.6	163.9	0.2	116.8
158	S	35.3	Very low	45.4	Very low	85 Å²	85	121 Å²	121	59%	0.594	68%	0.684	S	S	*	*			trans	48	110.5	131.8	59.5	0	0	0	0	118.8
159	Q	33.3	Very low	46.5	Very low	178 Å²	178	122.1 Å²	122.1	83%	0.832	69%	0.692	S	S	*	*			trans	157.4	108.4	132.7	-85.5	157.8	56	0	0	107.5
160	S	37.5	Very low	47.9	Very low	119 Å²	119	119.2 Å²	119.2	83%	0.832	68%	0.681	S	S	*	*				53.6	100.6	89.3	171	0	0	0	0	113.1
161	G	49.5	Very low	49	Very low	79 Å²	79	115.5 Å²	115.5	81%	0.814	66%	0.664	S	S	*	*	S	Bend	trans	71.8	110.3	136	0	0	0	0	0	118.8
162	G	54.9	Low	50.5	Low	64 Å²	64	116.7 Å²	116.7	66%	0.66	67%	0.666	S	S	*	*	S	Bend	trans	89.2	161.7	156	0	0	0	0	0	116.1	S164	G162-S164 PolarHBondContact O-N 2.83Å; G162-S164 VanDerWaalsContact O-N 3.1Å
163	P	51.3	Low	52	Low	115 Å²	115	113.8 Å²	113.8	75%	0.747	66%	0.661	S	S	*	*	S	Bend	trans	-57	120	174.3	24.4	-31.6	0	0	0	108.5	L165	P163-L165 PolarHBondContact O-N 2.9Å
164	S	62.2	Low	53.1	Low	62 Å²	62	106.9 Å²	106.9	43%	0.434	63%	0.633	S	S	.	*			trans	-50	131.4	-175.6	178.4	0	0	0	0	110.5	G162 L166 T167 V168	G162-S164 PolarHBondContact O-N 2.83Å; G162-S164 VanDerWaalsContact O-N 3.1Å; S164-L166 PolarHBondContact O-N 2.82Å; S164-L166 PolarHBondContact OG-N 2.83Å; S164-T167 WeakPolarHBondContact O-CB 3.16Å; S164-T167 PolarHBondContact O-N 2.86Å; S164-V168 PolarHBondContact O-N 2.87Å
165	L	60.5	Low	54.2	Low	133 Å²	133	106.5 Å²	106.5	70%	0.696	62%	0.623	S	S	*	*	H	α-helix	trans	-49	-27.7	175	-129.7	157.8	0	0	0	111.8	P163 V168 L169	P163-L165 PolarHBondContact O-N 2.9Å; L165-V168 PolarHBondContact O-N 2.68Å; L165-L169 HydrophobicContact CD2-CD1 3.93Å; L165-L169 HydrophobicContact CD2-CG 4.15Å; L165-L169 VanDerWaalsContact O-CB 3.3Å; L165-L169 WeakPolarHBondContact O-CB 3.27Å; L165-L169 WeakPolarHBondContact O-CD1 3.41Å; L165-L169 VanDerWaalsContact O-CG 3.28Å; L165-L169 WeakPolarHBondContact O-CG 3.42Å; L165-L169 PolarHBondContact O-N 2.77Å
166	L	58.3	Low	55.3	Low	130 Å²	130	99.9 Å²	99.9	68%	0.681	60%	0.6	S	S	*	*	H	α-helix	trans	-64.2	-41	173.8	-67.5	171.2	0	0	0	113.1	S164 L169 L170	S164-L166 PolarHBondContact O-N 2.82Å; S164-L166 PolarHBondContact OG-N 2.83Å; L166-L169 PolarHBondContact O-N 2.79Å; L166-L170 VanDerWaalsContact O-CB 3.28Å; L166-L170 WeakPolarHBondContact O-CB 3.37Å; L166-L170 PolarHBondContact O-N 2.73Å
167	T	64.1	Low	56.5	Low	68 Å²	68	97.7 Å²	97.7	42%	0.417	59%	0.59	S	S	.	*	H	α-helix	trans	-67.8	-39.9	177.4	-50	0	0	0	0	110.6	S164 L170 G171	S164-T167 WeakPolarHBondContact O-CB 3.16Å; S164-T167 PolarHBondContact O-N 2.86Å; T167-L170 PolarHBondContact O-N 2.92Å; T167-G171 PolarHBondContact O-N 3.12Å
168	V	68.4	Low	57.6	Low	82 Å²	82	91.2 Å²	91.2	50%	0.497	57%	0.572	S	S	.	*	H	α-helix	trans	-65.6	-46.9	175	-179.2	0	0	0	0	110.6	S164 L165 L170 G171 L172	S164-V168 PolarHBondContact O-N 2.87Å; L165-V168 PolarHBondContact O-N 2.68Å; V168-L170 VanDerWaalsContact C-N 3.34Å; V168-L170 PolarHBondContact O-N 2.8Å; V168-G171 PolarHBondContact O-N 2.82Å; V168-L172 WeakPolarHBondContact O-CB 3.47Å; V168-L172 PolarHBondContact O-N 3.04Å
169	L	69.9	Low	58.3	Low	94 Å²	94	94.5 Å²	94.5	49%	0.492	58%	0.579	S	S	.	*	H	α-helix	trans	-59.9	-42.6	176.6	-81.3	164.3	0	0	0	111.7	L165 L166 L172 V173	L165-L169 HydrophobicContact CD2-CD1 3.93Å; L165-L169 HydrophobicContact CD2-CG 4.15Å; L165-L169 VanDerWaalsContact O-CB 3.3Å; L165-L169 WeakPolarHBondContact O-CB 3.27Å; L165-L169 WeakPolarHBondContact O-CD1 3.41Å; L165-L169 VanDerWaalsContact O-CG 3.28Å; L165-L169 WeakPolarHBondContact O-CG 3.42Å; L165-L169 PolarHBondContact O-N 2.77Å; L166-L169 PolarHBondContact O-N 2.79Å; L169-L172 PolarHBondContact O-N 2.86Å; L169-V173 WeakPolarHBondContact O-CB 3.25Å; L169-V173 VanDerWaalsContact O-CG2 3.25Å; L169-V173 WeakPolarHBondContact O-CG2 3.37Å; L169-V173 PolarHBondContact O-N 2.82Å
170	L	69.8	Low	58.9	Low	96 Å²	96	92.3 Å²	92.3	50%	0.503	57%	0.573	S	S	.	*	H	α-helix	trans	-65.1	-43.7	178.2	-172	63.1	0	0	0	111.6	L166 T167 V168 L172 V173 C174	L166-L170 VanDerWaalsContact O-CB 3.28Å; L166-L170 WeakPolarHBondContact O-CB 3.37Å; L166-L170 PolarHBondContact O-N 2.73Å; T167-L170 PolarHBondContact O-N 2.92Å; V168-L170 VanDerWaalsContact C-N 3.34Å; V168-L170 PolarHBondContact O-N 2.8Å; L170-L172 VanDerWaalsContact C-N 3.3Å; L170-L172 PolarHBondContact O-N 2.75Å; L170-V173 PolarHBondContact O-N 2.79Å; L170-C174 PolarHBondContact O-N 2.94Å; L170-C174 PolarHBondContact O-SG 2.9Å; L170-C174 VanDerWaalsContact O-SG 3.34Å
171	G	66.3	Low	59	Low	30 Å²	30	91.9 Å²	91.9	31%	0.309	57%	0.567	S	S	.	*	H	α-helix	trans	-61.1	-38.4	173.5	0	0	0	0	0	112.9	T167 V168 C174 M175	T167-G171 PolarHBondContact O-N 3.12Å; V168-G171 PolarHBondContact O-N 2.82Å; G171-C174 PolarHBondContact O-N 3.38Å; G171-M175 WeakPolarHBondContact O-CB 3.31Å; G171-M175 WeakPolarHBondContact O-CG 3.37Å; G171-M175 PolarHBondContact O-N 3.27Å
172	L	70.4	Confident	58.8	Low	114 Å²	114	93.5 Å²	93.5	60%	0.597	56%	0.561	S	S	*	*	H	α-helix	trans	-71.2	-38.7	179.2	-147.4	150	0	0	0	111.8	V168 L169 L170 M175 A176	V168-L172 WeakPolarHBondContact O-CB 3.47Å; V168-L172 PolarHBondContact O-N 3.04Å; L169-L172 PolarHBondContact O-N 2.86Å; L170-L172 VanDerWaalsContact C-N 3.3Å; L170-L172 PolarHBondContact O-N 2.75Å; L172-M175 PolarHBondContact O-N 3.22Å; L172-A176 WeakPolarHBondContact O-CB 3.41Å; L172-A176 PolarHBondContact O-N 3.05Å
173	V	65.3	Low	58.1	Low	95 Å²	95	98.6 Å²	98.6	58%	0.576	57%	0.573	S	S	*	*	H	α-helix	trans	-62.9	-42.2	171.8	170	0	0	0	0	110.9	L169 L170 A176 A177	L169-V173 WeakPolarHBondContact O-CB 3.25Å; L169-V173 VanDerWaalsContact O-CG2 3.25Å; L169-V173 WeakPolarHBondContact O-CG2 3.37Å; L169-V173 PolarHBondContact O-N 2.82Å; L170-V173 PolarHBondContact O-N 2.79Å; V173-A176 PolarHBondContact O-N 2.83Å; V173-A177 WeakPolarHBondContact O-CB 3.02Å; V173-A177 PolarHBondContact O-N 2.79Å
174	C	57.7	Low	57.9	Low	36 Å²	36	96.5 Å²	96.5	24%	0.243	57%	0.572	C	S	.	*	H	α-helix	trans	-65.9	-39.7	175.3	-71	0	0	0	0	112.7	L170 G171 A177 L178 L208	L170-C174 PolarHBondContact O-N 2.94Å; L170-C174 PolarHBondContact O-SG 2.9Å; L170-C174 VanDerWaalsContact O-SG 3.34Å; G171-C174 PolarHBondContact O-N 3.38Å; C174-A177 PolarHBondContact O-N 2.74Å; C174-L178 WeakPolarHBondContact O-CG 3.48Å; C174-L178 PolarHBondContact O-N 2.98Å; C174-L208 HydrophobicContact CB-CD1 4.15Å
175	M	62.2	Low	56.5	Low	122 Å²	122	101 Å²	101	60%	0.601	59%	0.586	S	S	*	*	H	α-helix	trans	-63	-45.2	172.4	-83.5	-100.2	-83.6	0	0	111.8	G171 L172 A177 L178 M179	G171-M175 WeakPolarHBondContact O-CB 3.31Å; G171-M175 WeakPolarHBondContact O-CG 3.37Å; G171-M175 PolarHBondContact O-N 3.27Å; L172-M175 PolarHBondContact O-N 3.22Å; M175-A177 VanDerWaalsContact C-N 3.31Å; M175-A177 PolarHBondContact O-N 2.85Å; M175-L178 PolarHBondContact O-N 2.8Å; M175-M179 WeakPolarHBondContact O-CG 3.46Å; M175-M179 PolarHBondContact O-N 2.61Å
176	A	59.8	Low	55.6	Low	50 Å²	50	102.1 Å²	102.1	41%	0.413	59%	0.588	S	S	.	*	H	α-helix	trans	-62.5	-37.9	178.2	0	0	0	0	0	112.2	L172 V173 L178 M179 L180	L172-A176 WeakPolarHBondContact O-CB 3.41Å; L172-A176 PolarHBondContact O-N 3.05Å; V173-A176 PolarHBondContact O-N 2.83Å; A176-L178 VanDerWaalsContact C-N 3.25Å; A176-L178 PolarHBondContact O-N 2.68Å; A176-M179 PolarHBondContact O-N 2.67Å; A176-L180 PolarHBondContact O-N 3.36Å
177	A	57.3	Low	54.5	Low	70 Å²	70	103.6 Å²	103.6	58%	0.579	59%	0.591	S	S	*	*	H	α-helix	trans	-64.7	-27.5	174.3	0	0	0	0	0	113.3	V173 C174 M175	V173-A177 WeakPolarHBondContact O-CB 3.02Å; V173-A177 PolarHBondContact O-N 2.79Å; C174-A177 PolarHBondContact O-N 2.74Å; M175-A177 VanDerWaalsContact C-N 3.31Å; M175-A177 PolarHBondContact O-N 2.85Å
178	L	54.6	Low	53.6	Low	94 Å²	94	105.7 Å²	105.7	49%	0.492	61%	0.608	S	S	.	*	H	α-helix	trans	-86.6	-26.4	175.4	-69.3	175	0	0	0	113.3	C174 M175 A176 L180 L208	C174-L178 WeakPolarHBondContact O-CG 3.48Å; C174-L178 PolarHBondContact O-N 2.98Å; M175-L178 PolarHBondContact O-N 2.8Å; A176-L178 VanDerWaalsContact C-N 3.25Å; A176-L178 PolarHBondContact O-N 2.68Å; L178-L180 VanDerWaalsContact C-N 3.27Å; L178-L208 HydrophobicContact CD1-CD2 3.49Å; L178-L208 VanDerWaalsContact CD1-CD2 3.49Å
179	M	50.2	Low	52.7	Low	153 Å²	153	107.9 Å²	107.9	75%	0.754	62%	0.622	S	S	*	*	S	Bend	trans	-81.4	-3.1	174.8	-67.1	-65.5	-70.9	0	0	113	M175 A176 P181	M175-M179 WeakPolarHBondContact O-CG 3.46Å; M175-M179 PolarHBondContact O-N 2.61Å; A176-M179 PolarHBondContact O-N 2.67Å; M179-P181 WeakPolarHBondContact O-CD 3.46Å
180	L	46.5	Very low	51.5	Low	132 Å²	132	109.7 Å²	109.7	69%	0.691	64%	0.637	S	S	*	*	S	Bend	trans	-67.5	117.8	175	-120.8	75.4	0	0	0	109.6	A176 L178 T182	A176-L180 PolarHBondContact O-N 3.36Å; L178-L180 VanDerWaalsContact C-N 3.27Å; L180-T182 PolarHBondContact O-N 3.41Å
181	P	39.8	Very low	50.4	Low	110 Å²	110	110.2 Å²	110.2	71%	0.714	65%	0.646	S	S	*	*			trans	-63.1	133.7	-172.6	22.9	-31.2	0	0	0	111.2	M179 L183	M179-P181 WeakPolarHBondContact O-CD 3.46Å; P181-L183 PolarHBondContact O-N 3.5Å
182	T	46	Very low	49.5	Very low	113 Å²	113	115.8 Å²	115.8	69%	0.693	67%	0.674	S	S	*	*			trans	-60.5	103.8	168.6	41.8	0	0	0	0	109.3	L180 G184	L180-T182 PolarHBondContact O-N 3.41Å; T182-G184 VanDerWaalsContact C-N 3.32Å; T182-G184 PolarHBondContact O-N 3.28Å
183	L	39.8	Very low	48.5	Very low	172 Å²	172	121.3 Å²	121.3	90%	0.901	69%	0.688	S	S	*	*			trans	-71.3	91.6	172.1	-84.3	171	0	0	0	109.8	P181	P181-L183 PolarHBondContact O-N 3.5Å
184	G	47	Very low	47.5	Very low	71 Å²	71	123.3 Å²	123.3	73%	0.732	70%	0.695	S	S	*	*			trans	-120.3	78	151.1	0	0	0	0	0	108.4	T182	T182-G184 VanDerWaalsContact C-N 3.32Å; T182-G184 PolarHBondContact O-N 3.28Å
185	E	33.5	Very low	47.1	Very low	157 Å²	157	130.4 Å²	130.4	73%	0.734	72%	0.724	S	S	*	*	S	Bend	trans	-163.9	121.1	142	-143.7	177.1	106.9	0	0	111
186	Q	40.3	Very low	46.4	Very low	156 Å²	156	130 Å²	130	73%	0.729	72%	0.724	S	S	*	*			trans	57.7	128.6	154.1	-74.6	-162.2	102.7	0	0	122.9
187	E	36.7	Very low	46.1	Very low	161 Å²	161	130 Å²	130	75%	0.752	72%	0.721	S	S	*	*			trans	67.1	87.8	154.8	-57.7	-59.4	107.3	0	0	118.1
188	S	44.8	Very low	46	Very low	111 Å²	111	132.1 Å²	132.1	78%	0.776	73%	0.727	S	S	*	*				55.8	139.7	126.3	-144.1	0	0	0	0	120.6
189	T	49.4	Very low	46.1	Very low	128 Å²	128	131.7 Å²	131.7	79%	0.785	73%	0.728	S	S	*	*			trans	100.9	62.9	162.1	-29.5	0	0	0	0	117.5
190	V	45	Very low	46.4	Very low	133 Å²	133	129.7 Å²	129.7	81%	0.806	72%	0.715	S	S	*	*			trans	-151.5	141.7	141.7	-118	0	0	0	0	110.9
191	P	46	Very low	46.8	Very low	107 Å²	107	129.6 Å²	129.6	70%	0.695	71%	0.709	S	S	*	*			trans	-81.8	164.9	-157.6	31.5	-31.9	0	0	0	115.3	Y193	P191-Y193 VanDerWaalsContact C-N 3.28Å; P191-Y193 PolarHBondContact O-N 2.84Å
192	V	48.3	Very low	47.7	Very low	146 Å²	146	129.9 Å²	129.9	89%	0.885	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	55.2	-165.1	-166.9	0	0	0	0	115.8
193	Y	47.8	Very low	48.8	Very low	231 Å²	231	128.9 Å²	128.9	91%	0.906	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132	-2.9	168.8	-110.7	-91.4	0	0	0	114	P191	P191-Y193 VanDerWaalsContact C-N 3.28Å; P191-Y193 PolarHBondContact O-N 2.84Å
194	L	45.9	Very low	49.8	Very low	137 Å²	137	123.1 Å²	123.1	72%	0.717	67%	0.674	S	S	*	*			trans	-101.7	30.4	-175.9	-102.5	153.6	0	0	0	113.8	L196	L194-L196 PolarHBondContact O-N 2.68Å
195	H	48.1	Very low	50.9	Low	185 Å²	185	122.3 Å²	122.3	86%	0.856	66%	0.661	S	S	*	*			trans	-78.2	72.7	168.6	-132.6	-104.4	0	0	0	109.4	S197	H195-S197 VanDerWaalsContact C-N 3.3Å; H195-S197 PolarHBondContact O-N 3.11Å
196	L	47.3	Very low	52.7	Low	113 Å²	113	122.2 Å²	122.2	59%	0.592	66%	0.655	S	S	*	*			trans	-77.2	81.2	-178.3	-144.3	75.7	0	0	0	109.1	L194 K200	L194-L196 PolarHBondContact O-N 2.68Å; L196-K200 HydrophobicContact CD1-CD 3.31Å; L196-K200 HydrophobicContact CG-CB 4.24Å; L196-K200 HydrophobicContact CG-CD 3.58Å
197	S	54.1	Low	54.2	Low	51 Å²	51	118 Å²	118	36%	0.357	64%	0.64	S	S	.	*			trans	-49.1	146.8	-179.5	57.3	0	0	0	0	113.2	H195 T199 K200	H195-S197 VanDerWaalsContact C-N 3.3Å; H195-S197 PolarHBondContact O-N 3.11Å; S197-T199 PolarHBondContact O-N 2.84Å; S197-T199 PolarHBondContact OG-OG1 2.87Å; S197-K200 PolarHBondContact O-N 2.83Å
198	V	55.8	Low	55.7	Low	114 Å²	114	112.5 Å²	112.5	69%	0.691	62%	0.615	S	S	*	*	H	α-helix	trans	-43.4	-29.9	176.9	178.9	0	0	0	0	113.5	K200 K201 L202	V198-K200 VanDerWaalsContact C-N 3.34Å; V198-K200 PolarHBondContact O-N 2.89Å; V198-K201 PolarHBondContact O-N 3.29Å; V198-L202 PolarHBondContact O-N 3.08Å; V198-L202 VanDerWaalsContact O-N 3.08Å
199	T	55.8	Low	57.1	Low	85 Å²	85	108.9 Å²	108.9	52%	0.521	60%	0.595	S	S	.	*	H	α-helix	trans	-58.4	-36.3	174.3	50	0	0	0	0	114.2	S197 L202 V203	S197-T199 PolarHBondContact O-N 2.84Å; S197-T199 PolarHBondContact OG-OG1 2.87Å; T199-L202 PolarHBondContact O-N 3.42Å; T199-V203 VanDerWaalsContact O-CG2 3.29Å; T199-V203 WeakPolarHBondContact O-CG2 3.2Å; T199-V203 PolarHBondContact O-N 3.01Å
200	K	56.9	Low	58.2	Low	111 Å²	111	106.8 Å²	106.8	48%	0.483	58%	0.579	S	S	.	*	H	α-helix	trans	-71.4	-32.8	178.2	-68.8	-177.2	176.4	94.9	0	112.2	L196 S197 V198 A204	L196-K200 HydrophobicContact CD1-CD 3.31Å; L196-K200 HydrophobicContact CG-CB 4.24Å; L196-K200 HydrophobicContact CG-CD 3.58Å; S197-K200 PolarHBondContact O-N 2.83Å; V198-K200 VanDerWaalsContact C-N 3.34Å; V198-K200 PolarHBondContact O-N 2.89Å; K200-A204 WeakPolarHBondContact O-CB 3.39Å; K200-A204 PolarHBondContact O-N 3.35Å
201	K	55.3	Low	59.2	Low	129 Å²	129	103.1 Å²	103.1	56%	0.561	56%	0.555	S	S	*	*	H	α-helix	trans	-66.7	-41.1	171.2	-74.1	-175.3	174.1	-177.7	0	111.5	V198 A204 A205	V198-K201 PolarHBondContact O-N 3.29Å; K201-A204 PolarHBondContact O-N 2.74Å; K201-A205 WeakPolarHBondContact O-CB 3.13Å; K201-A205 PolarHBondContact O-N 2.84Å
202	L	58.6	Low	60.3	Low	117 Å²	117	101.5 Å²	101.5	61%	0.613	54%	0.543	S	S	*	.	H	α-helix	trans	-63	-42.8	174.9	-99.8	158.8	0	0	0	112.5	V198 T199 A205 Y206	V198-L202 PolarHBondContact O-N 3.08Å; V198-L202 VanDerWaalsContact O-N 3.08Å; T199-L202 PolarHBondContact O-N 3.42Å; L202-A205 PolarHBondContact O-N 3.43Å; L202-Y206 VanDerWaalsContact O-CB 3.32Å; L202-Y206 WeakPolarHBondContact O-CB 3.3Å; L202-Y206 PolarHBondContact O-N 3.24Å
203	V	68.8	Low	61.2	Low	92 Å²	92	100.2 Å²	100.2	56%	0.558	53%	0.529	S	S	*	.	H	α-helix	trans	-63.8	-43.9	176.3	172.6	0	0	0	0	110.9	T199 Y206 V207	T199-V203 VanDerWaalsContact O-CG2 3.29Å; T199-V203 WeakPolarHBondContact O-CG2 3.2Å; T199-V203 PolarHBondContact O-N 3.01Å; V203-Y206 PolarHBondContact O-N 2.91Å; V203-V207 HydrophobicContact CG1-CG2 4.45Å; V203-V207 VanDerWaalsContact O-CG2 3.29Å; V203-V207 WeakPolarHBondContact O-CG2 3.33Å; V203-V207 PolarHBondContact O-N 2.83Å
204	A	61.3	Low	62	Low	50 Å²	50	93.8 Å²	93.8	41%	0.413	51%	0.513	S	S	.	.	H	α-helix	trans	-63.4	-43.2	177.2	0	0	0	0	0	112.4	K200 K201 V207 L208	K200-A204 WeakPolarHBondContact O-CB 3.39Å; K200-A204 PolarHBondContact O-N 3.35Å; K201-A204 PolarHBondContact O-N 2.74Å; A204-V207 PolarHBondContact O-N 3.17Å; A204-L208 WeakPolarHBondContact O-CB 3.48Å; A204-L208 PolarHBondContact O-N 3.39Å
205	A	68.7	Low	62.6	Low	54 Å²	54	91.9 Å²	91.9	45%	0.446	50%	0.503	S	S	.	.	H	α-helix	trans	-64.4	-39	176	0	0	0	0	0	112.4	K201 L202 L208 G209	K201-A205 WeakPolarHBondContact O-CB 3.13Å; K201-A205 PolarHBondContact O-N 2.84Å; L202-A205 PolarHBondContact O-N 3.43Å; A205-L208 PolarHBondContact O-N 2.83Å; A205-G209 PolarHBondContact O-N 3.03Å
206	Y	71.1	Confident	63.2	Low	155 Å²	155	90.4 Å²	90.4	61%	0.608	50%	0.5	S	S	*	.	H	α-helix	trans	-64.9	-47.1	176.6	177.9	-104.5	0	0	0	112.2	L202 V203 L208 G209 L210	L202-Y206 VanDerWaalsContact O-CB 3.32Å; L202-Y206 WeakPolarHBondContact O-CB 3.3Å; L202-Y206 PolarHBondContact O-N 3.24Å; V203-Y206 PolarHBondContact O-N 2.91Å; Y206-L208 VanDerWaalsContact C-N 3.27Å; Y206-L208 PolarHBondContact O-N 3.02Å; Y206-G209 PolarHBondContact O-N 3.38Å; Y206-G209 VanDerWaalsContact O-N 3.14Å; Y206-L210 HydrophobicContact CD1-CD1 4.05Å; Y206-L210 HydrophobicContact CE1-CD1 3.43Å; Y206-L210 VanDerWaalsContact CE1-CD1 3.43Å; Y206-L210 HydrophobicContact CE1-CG 4.12Å; Y206-L210 HydrophobicContact CE2-CG 4.44Å; Y206-L210 PolarHBondContact O-N 2.87Å
207	V	72.4	Confident	63.3	Low	68 Å²	68	95 Å²	95	41%	0.412	51%	0.51	S	S	.	.	H	α-helix	trans	-61.2	-39.2	177.1	173	0	0	0	0	110.9	V203 A204 L210 L211	V203-V207 HydrophobicContact CG1-CG2 4.45Å; V203-V207 VanDerWaalsContact O-CG2 3.29Å; V203-V207 WeakPolarHBondContact O-CG2 3.33Å; V203-V207 PolarHBondContact O-N 2.83Å; A204-V207 PolarHBondContact O-N 3.17Å; V207-L210 PolarHBondContact O-N 2.96Å; V207-L211 HydrophobicContact CG1-CD1 4.1Å; V207-L211 PolarHBondContact O-N 3.21Å; V207-L211 VanDerWaalsContact O-N 3.08Å
208	L	67.9	Low	62.9	Low	45 Å²	45	100.5 Å²	100.5	24%	0.236	54%	0.541	C	S	.	.	H	α-helix	trans	-64.5	-41.2	174.6	-170.7	69.2	0	0	0	112.2	C174 L178 A204 A205 Y206 L210 L211 T212	C174-L208 HydrophobicContact CB-CD1 4.15Å; L178-L208 HydrophobicContact CD1-CD2 3.49Å; L178-L208 VanDerWaalsContact CD1-CD2 3.49Å; A204-L208 WeakPolarHBondContact O-CB 3.48Å; A204-L208 PolarHBondContact O-N 3.39Å; A205-L208 PolarHBondContact O-N 2.83Å; Y206-L208 VanDerWaalsContact C-N 3.27Å; Y206-L208 PolarHBondContact O-N 3.02Å; L208-L210 VanDerWaalsContact C-N 3.35Å; L208-L210 PolarHBondContact O-N 2.83Å; L208-L211 PolarHBondContact O-N 3.41Å; L208-T212 WeakPolarHBondContact O-CG2 3.24Å; L208-T212 PolarHBondContact O-N 3.39Å; L208-T212 PolarHBondContact O-OG1 2.84Å; L208-T212 VanDerWaalsContact O-OG1 3.09Å
209	G	74.9	Confident	63.2	Low	35 Å²	35	99.9 Å²	99.9	36%	0.361	53%	0.534	S	S	.	.	H	α-helix	trans	-63.2	-37	176.1	0	0	0	0	0	113.6	A205 Y206 T212 M213	A205-G209 PolarHBondContact O-N 3.03Å; Y206-G209 PolarHBondContact O-N 3.38Å; Y206-G209 VanDerWaalsContact O-N 3.14Å; G209-T212 WeakPolarHBondContact CA-OG1 3.26Å; G209-T212 PolarHBondContact O-OG1 2.57Å; G209-T212 VanDerWaalsContact O-OG1 3.1Å; G209-M213 WeakPolarHBondContact O-CB 3.34Å; G209-M213 PolarHBondContact O-N 2.64Å; G209-M213 VanDerWaalsContact O-N 3.08Å
210	L	72.6	Confident	63.6	Low	85 Å²	85	100.6 Å²	100.6	45%	0.445	54%	0.535	S	S	.	.	H	α-helix	trans	-66.9	-44.6	174	-69.7	179.7	0	0	0	111.7	Y206 V207 L208 M213 V214	Y206-L210 HydrophobicContact CD1-CD1 4.05Å; Y206-L210 HydrophobicContact CE1-CD1 3.43Å; Y206-L210 VanDerWaalsContact CE1-CD1 3.43Å; Y206-L210 HydrophobicContact CE1-CG 4.12Å; Y206-L210 HydrophobicContact CE2-CG 4.44Å; Y206-L210 PolarHBondContact O-N 2.87Å; V207-L210 PolarHBondContact O-N 2.96Å; L208-L210 VanDerWaalsContact C-N 3.35Å; L208-L210 PolarHBondContact O-N 2.83Å; L210-M213 PolarHBondContact O-N 3.13Å; L210-V214 VanDerWaalsContact O-CG2 3.31Å; L210-V214 WeakPolarHBondContact O-CG2 2.84Å; L210-V214 PolarHBondContact O-N 3.19Å
211	L	66.6	Low	64	Low	56 Å²	56	100.1 Å²	100.1	29%	0.293	54%	0.537	S	S	.	.	H	α-helix	trans	-62.6	-44.4	178.4	-82	161.5	0	0	0	112	V207 L208 V214 I215	V207-L211 HydrophobicContact CG1-CD1 4.1Å; V207-L211 PolarHBondContact O-N 3.21Å; V207-L211 VanDerWaalsContact O-N 3.08Å; L208-L211 PolarHBondContact O-N 3.41Å; L211-V214 PolarHBondContact O-N 3.21Å; L211-I215 WeakPolarHBondContact O-CD1 3.4Å; L211-I215 VanDerWaalsContact O-CG1 3.25Å; L211-I215 WeakPolarHBondContact O-CG1 3.2Å; L211-I215 PolarHBondContact O-N 3.16Å
212	T	67.8	Low	64.5	Low	73 Å²	73	98.4 Å²	98.4	45%	0.448	54%	0.536	S	S	.	.	H	α-helix	trans	-67.7	-38.5	178.5	52.6	0	0	0	0	112.2	L208 G209 V214 I215 L216	L208-T212 WeakPolarHBondContact O-CG2 3.24Å; L208-T212 PolarHBondContact O-N 3.39Å; L208-T212 PolarHBondContact O-OG1 2.84Å; L208-T212 VanDerWaalsContact O-OG1 3.09Å; G209-T212 WeakPolarHBondContact CA-OG1 3.26Å; G209-T212 PolarHBondContact O-OG1 2.57Å; G209-T212 VanDerWaalsContact O-OG1 3.1Å; T212-V214 VanDerWaalsContact C-N 3.34Å; T212-V214 PolarHBondContact O-N 3.18Å; T212-I215 PolarHBondContact O-N 2.98Å; T212-L216 WeakPolarHBondContact O-CB 3.42Å; T212-L216 PolarHBondContact O-N 3.42Å
213	M	68.3	Low	64.9	Low	119 Å²	119	97.2 Å²	97.2	59%	0.586	53%	0.531	S	S	*	.	H	α-helix	trans	-60.4	-43	172.8	-101.3	-141.1	96	0	0	112.3	G209 L210 L216 R217	G209-M213 WeakPolarHBondContact O-CB 3.34Å; G209-M213 PolarHBondContact O-N 2.64Å; G209-M213 VanDerWaalsContact O-N 3.08Å; L210-M213 PolarHBondContact O-N 3.13Å; M213-L216 PolarHBondContact O-N 3.09Å; M213-R217 VanDerWaalsContact O-CB 3.29Å; M213-R217 WeakPolarHBondContact O-CB 3.39Å; M213-R217 PolarHBondContact O-N 2.71Å; M213-R217 VanDerWaalsContact O-N 3.16Å
214	V	63.3	Low	64.6	Low	96 Å²	96	97.5 Å²	97.5	58%	0.582	53%	0.53	S	S	*	.	H	α-helix	trans	-65.5	-43.1	179.7	170.3	0	0	0	0	110.6	L210 L211 T212 R217 T218	L210-V214 VanDerWaalsContact O-CG2 3.31Å; L210-V214 WeakPolarHBondContact O-CG2 2.84Å; L210-V214 PolarHBondContact O-N 3.19Å; L211-V214 PolarHBondContact O-N 3.21Å; T212-V214 VanDerWaalsContact C-N 3.34Å; T212-V214 PolarHBondContact O-N 3.18Å; V214-R217 PolarHBondContact O-N 3.44Å; V214-T218 PolarHBondContact O-N 3.1Å; V214-T218 PolarHBondContact O-OG1 2.68Å
215	I	59.9	Low	64.9	Low	96 Å²	96	100.9 Å²	100.9	49%	0.492	54%	0.538	S	S	.	.	H	α-helix	trans	-66.9	-37.9	179.1	-65.8	164	0	0	0	111.8	L211 T212 R217	L211-I215 WeakPolarHBondContact O-CD1 3.4Å; L211-I215 VanDerWaalsContact O-CG1 3.25Å; L211-I215 WeakPolarHBondContact O-CG1 3.2Å; L211-I215 PolarHBondContact O-N 3.16Å; T212-I215 PolarHBondContact O-N 2.98Å; I215-R217 VanDerWaalsContact C-N 3.27Å; I215-R217 PolarHBondContact O-N 3.23Å
216	L	59.8	Low	64.6	Low	154 Å²	154	104.5 Å²	104.5	81%	0.806	55%	0.545	S	S	*	.	H	α-helix	trans	-72.5	-20.5	177	-117.1	83.7	0	0	0	113.8	T212 M213	T212-L216 WeakPolarHBondContact O-CB 3.42Å; T212-L216 PolarHBondContact O-N 3.42Å; M213-L216 PolarHBondContact O-N 3.09Å
217	R	48.3	Very low	64	Low	211 Å²	211	100.3 Å²	100.3	80%	0.796	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-4.3	-177.9	-152.8	-176.8	179.9	105	2.4	112.6	M213 V214 I215	M213-R217 VanDerWaalsContact O-CB 3.29Å; M213-R217 WeakPolarHBondContact O-CB 3.39Å; M213-R217 PolarHBondContact O-N 2.71Å; M213-R217 VanDerWaalsContact O-N 3.16Å; V214-R217 PolarHBondContact O-N 3.44Å; I215-R217 VanDerWaalsContact C-N 3.27Å; I215-R217 PolarHBondContact O-N 3.23Å
218	T	46.5	Very low	63.3	Low	166 Å²	166	103.3 Å²	103.3	100%	1.018	55%	0.551	S	S	*	*			trans	-94.7	0	172.3	-29.8	0	0	0	0	109.2	V214	V214-T218 PolarHBondContact O-N 3.1Å; V214-T218 PolarHBondContact O-OG1 2.68Å

Retrieved 218 of 218 residues in 41.1 ms (Link to these results)

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