A0A5K4FF77_SCHMA Loading...

lipoyl(octanoyl) transferase

AlphaFold DB , UniProt , Accession A0A5K4FF77, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 175 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	58.9	Low	87.7	Confident	208 Å²	208	98.9 Å²	98.9	100%	1.025	51%	0.512	S	S	*	.				0	129	0	-137.5	179.6	-89.4	0	0	107.3	V3	M1-V3 PolarHBondContact O-N 3.43Å
2	K	70.4	Confident	88.3	Confident	185 Å²	185	97.3 Å²	97.3	80%	0.804	51%	0.514	S	S	*	.			trans	-76.9	117.7	-174.5	-161.7	177.2	-175.7	-178.4	0	108.8	S4	K2-S4 PolarHBondContact O-N 3.46Å
3	V	78.4	Confident	88.9	Confident	60 Å²	60	91 Å²	91	36%	0.364	48%	0.482	S	S	.	.			trans	-69.9	127.3	171.7	-178.1	0	0	0	0	107.4	M1 S36 S106	M1-V3 PolarHBondContact O-N 3.43Å; V3-S36 WeakPolarHBondContact CA-O 3.47Å; V3-S106 WeakPolarHBondContact CG2-OG 3.08Å
4	S	87.2	Confident	89.3	Confident	50 Å²	50	88.3 Å²	88.3	35%	0.35	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133	177.1	-58.5	0	0	0	0	109.2	K2 S36 V37 H38	K2-S4 PolarHBondContact O-N 3.46Å; S4-S36 PolarHBondContact N-O 2.86Å; S4-V37 CarbonylContact O-C 3.55Å; S4-V37 WeakPolarHBondContact O-CA 3.2Å; S4-H38 PolarHBondContact O-N 2.83Å
5	V	91.6	Very high	89.6	Confident	78 Å²	78	82.7 Å²	82.7	47%	0.473	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116.4	172.4	-175.8	0	0	0	0	106.9	H38 I40	V5-H38 WeakPolarHBondContact CA-O 3.49Å; V5-H38 HydrophobicContact CG2-CB 4.32Å; V5-I40 HydrophobicContact CG1-CD1 3.72Å; V5-I40 HydrophobicContact CG1-CG1 3.69Å
6	L	94.3	Very high	89.8	Confident	87 Å²	87	82.2 Å²	82.2	46%	0.455	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.3	172.2	-60.2	177.5	0	0	0	108.7	F8 V37 H38 C39 I40	L6-F8 HydrophobicContact CB-CE2 3.65Å; L6-F8 HydrophobicContact CB-CZ 4.05Å; L6-F8 HydrophobicContact CD1-CE2 4.5Å; L6-F8 HydrophobicContact CD1-CZ 4.35Å; L6-V37 HydrophobicContact CD1-CG1 3.83Å; L6-V37 HydrophobicContact CG-CG1 4Å; L6-H38 PolarHBondContact N-O 2.94Å; L6-C39 CarbonylContact O-C 3.54Å; L6-C39 VanDerWaalsContact O-CA 3.3Å; L6-C39 WeakPolarHBondContact O-CA 3.45Å; L6-I40 PolarHBondContact O-N 3.41Å
7	S	95.6	Very high	90.1	Very high	89 Å²	89	81.8 Å²	81.8	62%	0.622	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.6	177.8	56.2	0	0	0	0	110.4	I40	S7-I40 WeakPolarHBondContact CA-O 3.46Å
8	F	97.5	Very high	90.4	Very high	97 Å²	97	77.2 Å²	77.2	43%	0.425	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.5	178.6	-58.9	-87.6	0	0	0	109.9	L6 L10 I40 L41 L42	L6-F8 HydrophobicContact CB-CE2 3.65Å; L6-F8 HydrophobicContact CB-CZ 4.05Å; L6-F8 HydrophobicContact CD1-CE2 4.5Å; L6-F8 HydrophobicContact CD1-CZ 4.35Å; F8-L10 HydrophobicContact CB-CD2 3.96Å; F8-I40 PolarHBondContact N-O 2.74Å; F8-L41 HydrophobicContact CB-CD2 4.21Å; F8-L41 HydrophobicContact CD2-CD2 4.15Å; F8-L42 PolarHBondContact O-N 3.08Å
9	Y	97.3	Very high	90.5	Very high	153 Å²	153	74.9 Å²	74.9	60%	0.6	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	117.1	167.5	-178.4	-114.9	0	0	0	109.1	L42 L94	Y9-L42 CarbonylContact C-O 3.26Å; Y9-L42 VanDerWaalsContact CA-O 3.31Å; Y9-L42 WeakPolarHBondContact CA-O 3.35Å; Y9-L42 HydrophobicContact CD2-CB 4Å; Y9-L94 HydrophobicContact CE2-CD1 4.45Å
10	L	97.3	Very high	90.6	Very high	63 Å²	63	74 Å²	74	33%	0.33	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-4.4	-171.9	-52	-179.2	0	0	0	113.4	F8 V13 L21 L41 L42 L43	F8-L10 HydrophobicContact CB-CD2 3.96Å; L10-V13 HydrophobicContact CB-CG2 3.66Å; L10-V13 HydrophobicContact CD1-CG2 4.46Å; L10-L21 HydrophobicContact CD1-CD2 3.55Å; L10-L41 HydrophobicContact CD1-CB 4.29Å; L10-L41 HydrophobicContact CD1-CD1 4.38Å; L10-L41 HydrophobicContact CD1-CD2 4.3Å; L10-L42 PolarHBondContact N-O 2.95Å; L10-L43 HydrophobicContact CB-CB 4.13Å; L10-L43 HydrophobicContact CD1-CD2 4.03Å
11	G	96.1	Very high	90.8	Very high	18 Å²	18	73.4 Å²	73.4	19%	0.186	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	69.2	-140.3	-172.9	0	0	0	0	0	112	L43 E44	G11-L43 CarbonylContact O-C 3.59Å; G11-L43 WeakPolarHBondContact O-CA 3.47Å; G11-L43 WeakPolarHBondContact O-CB 3.41Å; G11-E44 PolarHBondContact O-N 3.29Å
12	C	95.1	Very high	92.5	Very high	79 Å²	79	64 Å²	64	53%	0.534	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	120.7	179.7	-169.4	0	0	0	0	110.9	E44 C46	C12-E44 CarbonylContact C-O 3.54Å; C12-E44 WeakPolarHBondContact CA-O 3.42Å; C12-C46 VanDerWaalsContact SG-SG 3.61Å
13	V	96.1	Very high	93.5	Very high	16 Å²	16	57 Å²	57	10%	0.097	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.6	-174.6	-172.1	0	0	0	0	110.2	L10 I17 A18 L43 E44 H45	L10-V13 HydrophobicContact CB-CG2 3.66Å; L10-V13 HydrophobicContact CD1-CG2 4.46Å; V13-I17 HydrophobicContact CG1-CB 4.04Å; V13-I17 HydrophobicContact CG1-CG2 3.93Å; V13-A18 HydrophobicContact CB-CB 4.49Å; V13-A18 HydrophobicContact CG1-CB 3.97Å; V13-L43 HydrophobicContact CB-CD2 4.48Å; V13-L43 HydrophobicContact CG2-CB 4.22Å; V13-L43 HydrophobicContact CG2-CD2 4.46Å; V13-E44 PolarHBondContact N-O 3.39Å; V13-H45 WeakPolarHBondContact O-CA 3.41Å; V13-H45 PolarHBondContact O-ND1 2.64Å
14	P	94.5	Very high	94.2	Very high	53 Å²	53	56.2 Å²	56.2	34%	0.344	31%	0.309	S	S	.	.			trans	-56.8	144.1	171.3	-24.2	33.9	0	0	0	111.9	N16 I17 A18	P14-N16 PolarHBondContact O-N 2.95Å; P14-I17 HydrophobicContact CB-CB 4.45Å; P14-I17 HydrophobicContact CB-CG1 4.06Å; P14-I17 HydrophobicContact CG-CG1 4.28Å; P14-I17 PolarHBondContact O-N 3.14Å; P14-I17 VanDerWaalsContact O-N 3.16Å; P14-A18 PolarHBondContact O-N 3.42Å; P14-A18 VanDerWaalsContact O-N 3.12Å
15	Y	94.1	Very high	94.5	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.016	30%	0.299	C	S	.	.	H	α-helix	trans	-56	-47.8	-171.4	-175.6	-94	0	0	0	113	I17 A18 W19 H45 V48 T50 V78 T80 Y158	Y15-I17 VanDerWaalsContact C-N 3.33Å; Y15-I17 PolarHBondContact O-N 3.4Å; Y15-A18 PolarHBondContact O-N 3.11Å; Y15-W19 WeakPolarHBondContact O-CB 3.31Å; Y15-W19 PolarHBondContact O-N 2.96Å; Y15-H45 AromaticContact CD2-CD2 3.91Å; Y15-H45 AromaticContact CD2-CE1 3.92Å; Y15-H45 AromaticContact CD2-NE2 3.58Å; Y15-V48 HydrophobicContact CD2-CG1 4.24Å; Y15-V48 HydrophobicContact CG-CG2 4.36Å; Y15-T50 HydrophobicContact CD1-CG2 4.31Å; Y15-T50 HydrophobicContact CD2-CG2 3.76Å; Y15-T50 HydrophobicContact CE1-CG2 4Å; Y15-T50 HydrophobicContact CE2-CG2 3.42Å; Y15-T50 VanDerWaalsContact CE2-CG2 3.42Å; Y15-T50 HydrophobicContact CG-CG2 4.19Å; Y15-V78 HydrophobicContact CD1-CB 4.15Å; Y15-V78 HydrophobicContact CD1-CG1 3.83Å; Y15-V78 HydrophobicContact CD1-CG2 4.16Å; Y15-V78 HydrophobicContact CE1-CB 4.46Å; Y15-V78 HydrophobicContact CE1-CG1 3.93Å; Y15-T80 HydrophobicContact CE1-CG2 3.7Å; Y15-T80 WeakPolarHBondContact OH-CG2 3.37Å; Y15-Y158 PolarHBondContact OH-OH 3.34Å
16	N	91.7	Very high	94.4	Very high	75 Å²	75	52.5 Å²	52.5	40%	0.401	28%	0.283	S	S	.	.	H	α-helix	trans	-67	-33.6	-177.3	-67.9	-36.6	0	0	0	112.8	P14 W19 D20	P14-N16 PolarHBondContact O-N 2.95Å; N16-W19 WeakPolarHBondContact O-CB 3.42Å; N16-W19 PolarHBondContact O-N 2.78Å; N16-D20 WeakPolarHBondContact O-CB 3.41Å; N16-D20 PolarHBondContact O-N 3.16Å
17	I	95	Very high	94.2	Very high	75 Å²	75	53.8 Å²	53.8	39%	0.385	29%	0.285	S	S	.	.	H	α-helix	trans	-66.8	-45.3	176.2	-60.1	-60.7	0	0	0	110.4	V13 P14 Y15 W19 D20 L21	V13-I17 HydrophobicContact CG1-CB 4.04Å; V13-I17 HydrophobicContact CG1-CG2 3.93Å; P14-I17 HydrophobicContact CB-CB 4.45Å; P14-I17 HydrophobicContact CB-CG1 4.06Å; P14-I17 HydrophobicContact CG-CG1 4.28Å; P14-I17 PolarHBondContact O-N 3.14Å; P14-I17 VanDerWaalsContact O-N 3.16Å; Y15-I17 VanDerWaalsContact C-N 3.33Å; Y15-I17 PolarHBondContact O-N 3.4Å; I17-W19 VanDerWaalsContact C-N 3.28Å; I17-W19 PolarHBondContact O-N 2.8Å; I17-D20 PolarHBondContact O-N 3.18Å; I17-L21 WeakPolarHBondContact O-CB 3.33Å; I17-L21 PolarHBondContact O-N 3.29Å
18	A	95.3	Very high	94	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.5	-36.4	174.7	0	0	0	0	0	112	V13 P14 Y15 L21 Q22 L43 Y97	V13-A18 HydrophobicContact CB-CB 4.49Å; V13-A18 HydrophobicContact CG1-CB 3.97Å; P14-A18 PolarHBondContact O-N 3.42Å; P14-A18 VanDerWaalsContact O-N 3.12Å; Y15-A18 PolarHBondContact O-N 3.11Å; A18-L21 PolarHBondContact O-N 3.09Å; A18-Q22 VanDerWaalsContact O-CG 3.31Å; A18-Q22 WeakPolarHBondContact O-CG 3.3Å; A18-Q22 PolarHBondContact O-N 3.39Å; A18-Q22 PolarHBondContact O-NE2 3.12Å; A18-L43 HydrophobicContact CB-CD2 3.81Å; A18-Y97 HydrophobicContact CB-CE2 4.15Å
19	W	92.6	Very high	93.5	Very high	34 Å²	34	50.7 Å²	50.7	13%	0.129	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-45.8	175.1	-179.6	-121.7	0	0	0	112.2	Y15 N16 I17 L21 Q22 K23 Y158 Q162 F163	Y15-W19 WeakPolarHBondContact O-CB 3.31Å; Y15-W19 PolarHBondContact O-N 2.96Å; N16-W19 WeakPolarHBondContact O-CB 3.42Å; N16-W19 PolarHBondContact O-N 2.78Å; I17-W19 VanDerWaalsContact C-N 3.28Å; I17-W19 PolarHBondContact O-N 2.8Å; W19-L21 VanDerWaalsContact C-N 3.31Å; W19-L21 PolarHBondContact O-N 3.08Å; W19-Q22 PolarHBondContact O-N 3.26Å; W19-K23 HydrophobicContact CZ2-CD 4.33Å; W19-K23 HydrophobicContact CZ2-CG 4.43Å; W19-K23 WeakPolarHBondContact O-CG 3.34Å; W19-K23 PolarHBondContact O-N 3.36Å; W19-Y158 HydrophobicContact CE3-CE1 4.21Å; W19-Y158 AromaticContact CH2-CD1 3.39Å; W19-Y158 HydrophobicContact CH2-CD1 3.39Å; W19-Y158 AromaticContact CH2-CE1 3.55Å; W19-Y158 HydrophobicContact CH2-CE1 3.55Å; W19-Y158 AromaticContact CH2-CG 3.9Å; W19-Y158 HydrophobicContact CH2-CG 3.9Å; W19-Y158 HydrophobicContact CZ2-CD1 4.38Å; W19-Y158 HydrophobicContact CZ2-CE1 4.4Å; W19-Y158 AromaticContact CZ3-CD1 3.62Å; W19-Y158 HydrophobicContact CZ3-CD1 3.62Å; W19-Y158 HydrophobicContact CZ3-CD2 4.08Å; W19-Y158 AromaticContact CZ3-CE1 3.43Å; W19-Y158 HydrophobicContact CZ3-CE1 3.43Å; W19-Y158 VanDerWaalsContact CZ3-CE1 3.43Å; W19-Y158 AromaticContact CZ3-CE2 3.95Å; W19-Y158 HydrophobicContact CZ3-CE2 3.95Å; W19-Y158 AromaticContact CZ3-CG 3.93Å; W19-Y158 HydrophobicContact CZ3-CG 3.93Å; W19-Y158 AromaticContact CZ3-CZ 3.62Å; W19-Q162 HydrophobicContact CH2-CB 4.36Å; W19-Q162 HydrophobicContact CZ2-CB 4.36Å; W19-F163 HydrophobicContact CH2-CE1 4.08Å; W19-F163 HydrophobicContact CH2-CE2 4.45Å; W19-F163 AromaticContact CH2-CZ 3.73Å; W19-F163 HydrophobicContact CH2-CZ 3.73Å; W19-F163 HydrophobicContact CZ3-CE1 4.29Å; W19-F163 AromaticContact CZ3-CZ 3.91Å; W19-F163 HydrophobicContact CZ3-CZ 3.91Å
20	D	93.2	Very high	92.9	Very high	55 Å²	55	49 Å²	49	29%	0.294	26%	0.261	S	S	.	.	H	α-helix	trans	-64.6	-36	176.3	-72.2	-23.9	0	0	0	112.3	N16 I17 K23 S24	N16-D20 WeakPolarHBondContact O-CB 3.41Å; N16-D20 PolarHBondContact O-N 3.16Å; I17-D20 PolarHBondContact O-N 3.18Å; D20-K23 PolarHBondContact O-N 3.16Å; D20-K23 WeakPolarHBondContact OD1-CE 3.44Å; D20-K23 IonicContact OD1-NZ 2.75Å; D20-K23 PolarHBondContact OD1-NZ 3.42Å; D20-S24 WeakPolarHBondContact O-CB 3.44Å; D20-S24 PolarHBondContact O-N 2.77Å; D20-S24 PolarHBondContact O-OG 3.14Å
21	L	95.1	Very high	92.5	Very high	63 Å²	63	50.1 Å²	50.1	33%	0.33	27%	0.274	S	S	.	.	H	α-helix	trans	-64.4	-47.3	173	-179.7	59.5	0	0	0	111.9	L10 I17 A18 W19 K23 S24 I25 L41	L10-L21 HydrophobicContact CD1-CD2 3.55Å; I17-L21 WeakPolarHBondContact O-CB 3.33Å; I17-L21 PolarHBondContact O-N 3.29Å; A18-L21 PolarHBondContact O-N 3.09Å; W19-L21 VanDerWaalsContact C-N 3.31Å; W19-L21 PolarHBondContact O-N 3.08Å; L21-K23 VanDerWaalsContact C-N 3.31Å; L21-K23 PolarHBondContact O-N 3.36Å; L21-S24 PolarHBondContact O-N 3.28Å; L21-S24 VanDerWaalsContact O-N 3.17Å; L21-I25 HydrophobicContact CD1-CD1 3.91Å; L21-I25 HydrophobicContact CD1-CG1 4.17Å; L21-I25 HydrophobicContact CG-CD1 3.89Å; L21-I25 WeakPolarHBondContact O-CG1 3.33Å; L21-I25 PolarHBondContact O-N 3Å; L21-L41 HydrophobicContact CD2-CD1 3.91Å; L21-L41 HydrophobicContact CG-CD1 4.04Å
22	Q	93.8	Very high	91.9	Very high	11 Å²	11	54.6 Å²	54.6	5%	0.051	29%	0.289	C	S	.	.	H	α-helix	trans	-55.2	-48.6	175.6	-76.3	175.1	81.1	0	0	111.1	A18 W19 S24 I25 V26 L41 Y97 I99	A18-Q22 VanDerWaalsContact O-CG 3.31Å; A18-Q22 WeakPolarHBondContact O-CG 3.3Å; A18-Q22 PolarHBondContact O-N 3.39Å; A18-Q22 PolarHBondContact O-NE2 3.12Å; W19-Q22 PolarHBondContact O-N 3.26Å; Q22-S24 VanDerWaalsContact C-N 3.34Å; Q22-S24 PolarHBondContact O-N 2.99Å; Q22-I25 PolarHBondContact O-N 3.33Å; Q22-V26 WeakPolarHBondContact O-CG2 3.15Å; Q22-V26 PolarHBondContact O-N 2.95Å; Q22-L41 HydrophobicContact CG-CD1 4.1Å; Q22-Y97 VanDerWaalsContact CD-CD2 3.48Å; Q22-Y97 HydrophobicContact CG-CD2 4Å; Q22-Y97 HydrophobicContact CG-CG 4.07Å; Q22-Y97 VanDerWaalsContact NE2-CD2 3.3Å; Q22-I99 HydrophobicContact CB-CD1 4.33Å; Q22-I99 HydrophobicContact CG-CD1 4.26Å
23	K	91.9	Very high	90.8	Very high	37 Å²	37	58.9 Å²	58.9	16%	0.161	31%	0.307	C	S	.	.	H	α-helix	trans	-57.6	-45.3	176.5	-78.1	-173.1	-60	179	0	112.5	W19 D20 L21 V26 K27 F163 I166	W19-K23 HydrophobicContact CZ2-CD 4.33Å; W19-K23 HydrophobicContact CZ2-CG 4.43Å; W19-K23 WeakPolarHBondContact O-CG 3.34Å; W19-K23 PolarHBondContact O-N 3.36Å; D20-K23 PolarHBondContact O-N 3.16Å; D20-K23 WeakPolarHBondContact OD1-CE 3.44Å; D20-K23 IonicContact OD1-NZ 2.75Å; D20-K23 PolarHBondContact OD1-NZ 3.42Å; L21-K23 VanDerWaalsContact C-N 3.31Å; L21-K23 PolarHBondContact O-N 3.36Å; K23-V26 PolarHBondContact O-N 2.91Å; K23-K27 WeakPolarHBondContact O-CB 3.48Å; K23-K27 PolarHBondContact O-N 3.24Å; K23-F163 HydrophobicContact CG-CD1 4.02Å; K23-F163 HydrophobicContact CG-CE1 3.95Å; K23-I166 HydrophobicContact CB-CD1 3.74Å; K23-I166 HydrophobicContact CD-CD1 3.73Å; K23-I166 HydrophobicContact CD-CG1 4.07Å; K23-I166 HydrophobicContact CD-CG2 4.26Å; K23-I166 HydrophobicContact CG-CD1 3.66Å
24	S	93.2	Very high	89.5	Confident	44 Å²	44	62 Å²	62	31%	0.308	33%	0.329	S	S	.	.	H	α-helix	trans	-64.1	-42	179.8	-60.9	0	0	0	0	112	D20 L21 Q22 K27 L28	D20-S24 WeakPolarHBondContact O-CB 3.44Å; D20-S24 PolarHBondContact O-N 2.77Å; D20-S24 PolarHBondContact O-OG 3.14Å; L21-S24 PolarHBondContact O-N 3.28Å; L21-S24 VanDerWaalsContact O-N 3.17Å; Q22-S24 VanDerWaalsContact C-N 3.34Å; Q22-S24 PolarHBondContact O-N 2.99Å; S24-K27 PolarHBondContact O-N 3.33Å; S24-L28 WeakPolarHBondContact O-CB 3.18Å; S24-L28 PolarHBondContact O-N 3.38Å
25	I	92.6	Very high	88.5	Confident	28 Å²	28	60.1 Å²	60.1	14%	0.144	32%	0.317	C	S	.	.	H	α-helix	trans	-66.5	-43.4	176.4	-66.2	165.1	0	0	0	110.9	L21 Q22 K27 L28 L29 C39 L41 I99	L21-I25 HydrophobicContact CD1-CD1 3.91Å; L21-I25 HydrophobicContact CD1-CG1 4.17Å; L21-I25 HydrophobicContact CG-CD1 3.89Å; L21-I25 WeakPolarHBondContact O-CG1 3.33Å; L21-I25 PolarHBondContact O-N 3Å; Q22-I25 PolarHBondContact O-N 3.33Å; I25-K27 VanDerWaalsContact C-N 3.31Å; I25-K27 PolarHBondContact O-N 2.98Å; I25-L28 PolarHBondContact O-N 2.98Å; I25-L29 HydrophobicContact CG2-CD1 3.88Å; I25-L29 HydrophobicContact CG2-CG 4.18Å; I25-L29 WeakPolarHBondContact O-CB 3.44Å; I25-L29 WeakPolarHBondContact O-CG 3.49Å; I25-L29 PolarHBondContact O-N 3.42Å; I25-C39 HydrophobicContact CG2-CB 4.09Å; I25-L41 HydrophobicContact CD1-CD1 3.89Å; I25-L41 HydrophobicContact CD1-CD2 3.82Å; I25-L41 HydrophobicContact CD1-CG 4.2Å; I25-I99 HydrophobicContact CB-CD1 3.77Å; I25-I99 HydrophobicContact CD1-CD1 4.02Å; I25-I99 HydrophobicContact CG2-CB 4.46Å; I25-I99 HydrophobicContact CG2-CD1 3.65Å; I25-I99 HydrophobicContact CG2-CG2 4.21Å
26	V	90.5	Very high	87.7	Confident	22 Å²	22	62 Å²	62	13%	0.133	33%	0.33	C	S	.	.	H	α-helix	trans	-59.4	-44.7	176	172	0	0	0	0	110.9	Q22 K23 L28 L29 K30 I99 F163	Q22-V26 WeakPolarHBondContact O-CG2 3.15Å; Q22-V26 PolarHBondContact O-N 2.95Å; K23-V26 PolarHBondContact O-N 2.91Å; V26-L28 PolarHBondContact O-N 3.49Å; V26-L29 PolarHBondContact O-N 2.86Å; V26-K30 HydrophobicContact CG1-CD 4.12Å; V26-K30 HydrophobicContact CG1-CG 4.38Å; V26-K30 WeakPolarHBondContact O-CB 3.47Å; V26-K30 WeakPolarHBondContact O-CG 3.35Å; V26-K30 PolarHBondContact O-N 3.26Å; V26-I99 HydrophobicContact CG2-CG2 3.53Å; V26-F163 HydrophobicContact CB-CD1 3.93Å; V26-F163 HydrophobicContact CB-CE1 4.48Å; V26-F163 HydrophobicContact CB-CG 4.41Å; V26-F163 HydrophobicContact CG1-CB 3.76Å; V26-F163 HydrophobicContact CG1-CD1 4Å; V26-F163 HydrophobicContact CG1-CG 3.98Å; V26-F163 HydrophobicContact CG2-CD1 3.85Å; V26-F163 HydrophobicContact CG2-CE1 3.96Å; V26-F163 HydrophobicContact CG2-CG 4.37Å
27	K	90.4	Very high	87.5	Confident	113 Å²	113	61 Å²	61	49%	0.491	33%	0.327	S	S	.	.	H	α-helix	trans	-59.6	-46.6	177.1	-176	178.7	179.9	177.4	0	111.6	K23 S24 I25 K30 S31	K23-K27 WeakPolarHBondContact O-CB 3.48Å; K23-K27 PolarHBondContact O-N 3.24Å; S24-K27 PolarHBondContact O-N 3.33Å; I25-K27 VanDerWaalsContact C-N 3.31Å; I25-K27 PolarHBondContact O-N 2.98Å; K27-K30 PolarHBondContact O-N 3.44Å; K27-S31 PolarHBondContact O-N 3.43Å
28	L	89.8	Confident	87.3	Confident	97 Å²	97	57.6 Å²	57.6	51%	0.508	31%	0.309	S	S	.	.	H	α-helix	trans	-62.4	-45	177.1	176.7	62.9	0	0	0	111.9	S24 I25 V26 K30 S31 F32	S24-L28 WeakPolarHBondContact O-CB 3.18Å; S24-L28 PolarHBondContact O-N 3.38Å; I25-L28 PolarHBondContact O-N 2.98Å; V26-L28 PolarHBondContact O-N 3.49Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.4Å; L28-S31 PolarHBondContact O-N 3.31Å; L28-S31 VanDerWaalsContact O-N 3.14Å; L28-S31 PolarHBondContact O-OG 3.02Å; L28-F32 HydrophobicContact CD1-CE2 3.85Å; L28-F32 HydrophobicContact CD1-CZ 4.02Å; L28-F32 HydrophobicContact CG-CE2 3.9Å; L28-F32 HydrophobicContact CG-CZ 4.49Å; L28-F32 WeakPolarHBondContact O-CD2 3.43Å; L28-F32 WeakPolarHBondContact O-CE2 3.4Å
29	L	87.1	Confident	87.3	Confident	25 Å²	25	58 Å²	58	13%	0.131	31%	0.312	C	S	.	.	H	α-helix	trans	-64.4	-38.2	178.7	-70.6	176.8	0	0	0	111.9	I25 V26 S31 F32 P35 I99	I25-L29 HydrophobicContact CG2-CD1 3.88Å; I25-L29 HydrophobicContact CG2-CG 4.18Å; I25-L29 WeakPolarHBondContact O-CB 3.44Å; I25-L29 WeakPolarHBondContact O-CG 3.49Å; I25-L29 PolarHBondContact O-N 3.42Å; V26-L29 PolarHBondContact O-N 2.86Å; L29-S31 PolarHBondContact O-N 3.35Å; L29-F32 PolarHBondContact O-N 2.98Å; L29-P35 HydrophobicContact CD2-CB 4.38Å; L29-P35 WeakPolarHBondContact O-CG 3.49Å; L29-I99 HydrophobicContact CD1-CG2 3.77Å
30	K	86	Confident	87.4	Confident	116 Å²	116	58.6 Å²	58.6	50%	0.504	32%	0.317	S	S	.	.	H	α-helix	trans	-65.9	-21.8	175	-76.6	-178.7	177.1	-178.2	0	113.4	V26 K27 L28 F32 F163 N164	V26-K30 HydrophobicContact CG1-CD 4.12Å; V26-K30 HydrophobicContact CG1-CG 4.38Å; V26-K30 WeakPolarHBondContact O-CB 3.47Å; V26-K30 WeakPolarHBondContact O-CG 3.35Å; V26-K30 PolarHBondContact O-N 3.26Å; K27-K30 PolarHBondContact O-N 3.44Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.4Å; K30-F32 VanDerWaalsContact C-N 3.28Å; K30-F163 PolarHBondContact NZ-O 3.37Å; K30-N164 PolarHBondContact NZ-OD1 3.32Å
31	S	87.5	Confident	87.7	Confident	88 Å²	88	56 Å²	56	62%	0.615	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-9.3	177.3	67.8	0	0	0	0	113.9	K27 L28 L29	K27-S31 PolarHBondContact O-N 3.43Å; L28-S31 PolarHBondContact O-N 3.31Å; L28-S31 VanDerWaalsContact O-N 3.14Å; L28-S31 PolarHBondContact O-OG 3.02Å; L29-S31 PolarHBondContact O-N 3.35Å
32	F	83.6	Confident	87.8	Confident	112 Å²	112	55.5 Å²	55.5	49%	0.491	30%	0.301	S	S	.	.	S	Bend	trans	-92.8	139.8	173.1	-60.8	-70.5	0	0	0	110.8	L28 L29 K30 S34 P35	L28-F32 HydrophobicContact CD1-CE2 3.85Å; L28-F32 HydrophobicContact CD1-CZ 4.02Å; L28-F32 HydrophobicContact CG-CE2 3.9Å; L28-F32 HydrophobicContact CG-CZ 4.49Å; L28-F32 WeakPolarHBondContact O-CD2 3.43Å; L28-F32 WeakPolarHBondContact O-CE2 3.4Å; L29-F32 PolarHBondContact O-N 2.98Å; K30-F32 VanDerWaalsContact C-N 3.28Å; F32-S34 PolarHBondContact O-N 2.83Å; F32-P35 HydrophobicContact CB-CB 4.2Å; F32-P35 WeakPolarHBondContact O-CD 3.48Å
33	D	72.7	Confident	88	Confident	169 Å²	169	55 Å²	55	90%	0.904	30%	0.298	S	S	*	.	S	Bend	trans	-71.3	110.9	171	-108.3	-22.1	0	0	0	109.7
34	S	69.4	Low	88.3	Confident	80 Å²	80	55.6 Å²	55.6	56%	0.559	30%	0.302	S	S	*	.	S	Bend	trans	51.5	67.8	-179	-64.6	0	0	0	0	113.6	F32 S36	F32-S34 PolarHBondContact O-N 2.83Å; S34-S36 PolarHBondContact O-N 3.35Å; S34-S36 VanDerWaalsContact O-N 3.08Å
35	P	72.3	Confident	88.5	Confident	15 Å²	15	53.5 Å²	53.5	10%	0.097	29%	0.287	C	S	.	.			trans	-58.7	120.6	-179.3	25.9	-35.1	0	0	0	110.1	L29 F32 N101	L29-P35 HydrophobicContact CD2-CB 4.38Å; L29-P35 WeakPolarHBondContact O-CG 3.49Å; F32-P35 HydrophobicContact CB-CB 4.2Å; F32-P35 WeakPolarHBondContact O-CD 3.48Å; P35-N101 HydrophobicContact CG-CB 4.38Å
36	S	77.6	Confident	88.5	Confident	42 Å²	42	54.4 Å²	54.4	29%	0.294	30%	0.295	S	S	.	.			trans	-84.4	3.9	168.8	52.7	0	0	0	0	112.2	V3 S4 S34	V3-S36 WeakPolarHBondContact CA-O 3.47Å; S4-S36 PolarHBondContact N-O 2.86Å; S34-S36 PolarHBondContact O-N 3.35Å; S34-S36 VanDerWaalsContact O-N 3.08Å
37	V	87.4	Confident	88.7	Confident	54 Å²	54	55.4 Å²	55.4	33%	0.327	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134.6	177.7	-176.1	0	0	0	0	109.4	S4 L6	S4-V37 CarbonylContact O-C 3.55Å; S4-V37 WeakPolarHBondContact O-CA 3.2Å; L6-V37 HydrophobicContact CD1-CG1 3.83Å; L6-V37 HydrophobicContact CG-CG1 4Å
38	H	91.8	Very high	88.9	Confident	4 Å²	4	50 Å²	50	2%	0.019	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	163	171.6	-55	-43.5	0	0	0	109.5	S4 V5 L6 I100 N101	S4-H38 PolarHBondContact O-N 2.83Å; V5-H38 WeakPolarHBondContact CA-O 3.49Å; V5-H38 HydrophobicContact CG2-CB 4.32Å; L6-H38 PolarHBondContact N-O 2.94Å; H38-I100 HydrophobicContact CB-CG1 3.95Å; H38-N101 PolarHBondContact ND1-N 2.83Å
39	C	94.2	Very high	89.1	Confident	8 Å²	8	47.6 Å²	47.6	5%	0.054	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	144.5	-178.7	-176.1	0	0	0	0	110.3	L6 I25 P98 I99	L6-C39 CarbonylContact O-C 3.54Å; L6-C39 VanDerWaalsContact O-CA 3.3Å; L6-C39 WeakPolarHBondContact O-CA 3.45Å; I25-C39 HydrophobicContact CG2-CB 4.09Å; C39-P98 CarbonylContact O-C 3.5Å; C39-I99 HydrophobicContact CB-CB 4.36Å; C39-I99 PolarHBondContact N-O 3.06Å; C39-I99 VanDerWaalsContact N-O 3.08Å; C39-I99 PolarHBondContact O-N 2.94Å
40	I	96.3	Very high	89.3	Confident	47 Å²	47	46.4 Å²	46.4	24%	0.241	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	119.4	165.5	-55	-178.1	0	0	0	107.4	V5 L6 S7 F8 L42 P98	V5-I40 HydrophobicContact CG1-CD1 3.72Å; V5-I40 HydrophobicContact CG1-CG1 3.69Å; L6-I40 PolarHBondContact O-N 3.41Å; S7-I40 WeakPolarHBondContact CA-O 3.46Å; F8-I40 PolarHBondContact N-O 2.74Å; I40-L42 HydrophobicContact CG2-CD2 4.13Å; I40-L42 HydrophobicContact CG2-CG 4.29Å; I40-P98 HydrophobicContact CG1-CB 4.08Å
41	L	97.6	Very high	89.5	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	131.1	168.6	-50.8	178.5	0	0	0	108.7	F8 L10 L21 Q22 I25 A96 Y97 I99	F8-L41 HydrophobicContact CB-CD2 4.21Å; F8-L41 HydrophobicContact CD2-CD2 4.15Å; L10-L41 HydrophobicContact CD1-CB 4.29Å; L10-L41 HydrophobicContact CD1-CD1 4.38Å; L10-L41 HydrophobicContact CD1-CD2 4.3Å; L21-L41 HydrophobicContact CD2-CD1 3.91Å; L21-L41 HydrophobicContact CG-CD1 4.04Å; Q22-L41 HydrophobicContact CG-CD1 4.1Å; I25-L41 HydrophobicContact CD1-CD1 3.89Å; I25-L41 HydrophobicContact CD1-CD2 3.82Å; I25-L41 HydrophobicContact CD1-CG 4.2Å; L41-A96 CarbonylContact O-C 3.46Å; L41-A96 VanDerWaalsContact O-CA 3.3Å; L41-A96 WeakPolarHBondContact O-CA 3.3Å; L41-Y97 PolarHBondContact N-O 3.32Å; L41-Y97 PolarHBondContact O-N 3.5Å; L41-I99 HydrophobicContact CD1-CD1 4.39Å
42	L	98	Very high	89.3	Confident	52 Å²	52	37 Å²	37	27%	0.272	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.1	173.2	-64.4	173.7	0	0	0	107.6	F8 Y9 L10 I40 L94 V95 A96	F8-L42 PolarHBondContact O-N 3.08Å; Y9-L42 CarbonylContact C-O 3.26Å; Y9-L42 VanDerWaalsContact CA-O 3.31Å; Y9-L42 WeakPolarHBondContact CA-O 3.35Å; Y9-L42 HydrophobicContact CD2-CB 4Å; L10-L42 PolarHBondContact N-O 2.95Å; I40-L42 HydrophobicContact CG2-CD2 4.13Å; I40-L42 HydrophobicContact CG2-CG 4.29Å; L42-L94 HydrophobicContact CB-CD1 4.28Å; L42-V95 WeakPolarHBondContact CA-O 3.43Å; L42-A96 HydrophobicContact CD2-CB 3.73Å
43	L	98.2	Very high	89.2	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	172.9	-176.6	61.1	87.3	0	0	0	111	L10 G11 V13 A18 H45 V95 Y97	L10-L43 HydrophobicContact CB-CB 4.13Å; L10-L43 HydrophobicContact CD1-CD2 4.03Å; G11-L43 CarbonylContact O-C 3.59Å; G11-L43 WeakPolarHBondContact O-CA 3.47Å; G11-L43 WeakPolarHBondContact O-CB 3.41Å; V13-L43 HydrophobicContact CB-CD2 4.48Å; V13-L43 HydrophobicContact CG2-CB 4.22Å; V13-L43 HydrophobicContact CG2-CD2 4.46Å; A18-L43 HydrophobicContact CB-CD2 3.81Å; L43-H45 WeakPolarHBondContact CD1-CE1 3.27Å; L43-V95 HydrophobicContact CD1-CB 3.96Å; L43-V95 HydrophobicContact CD1-CG1 4.38Å; L43-V95 HydrophobicContact CG-CB 4.47Å; L43-V95 PolarHBondContact N-O 3.26Å; L43-V95 PolarHBondContact O-N 3.28Å; L43-Y97 HydrophobicContact CD1-CE2 4.32Å; L43-Y97 HydrophobicContact CD2-CD2 3.94Å; L43-Y97 HydrophobicContact CD2-CE2 3.89Å; L43-Y97 HydrophobicContact CG-CE2 4.39Å
44	E	97.7	Very high	89.6	Confident	49 Å²	49	34.5 Å²	34.5	23%	0.229	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	153.3	162.6	-64.3	176.8	-128.7	0	0	108.1	G11 C12 V13 G92	G11-E44 PolarHBondContact O-N 3.29Å; C12-E44 CarbonylContact C-O 3.54Å; C12-E44 WeakPolarHBondContact CA-O 3.42Å; V13-E44 PolarHBondContact N-O 3.39Å; E44-G92 PolarHBondContact OE2-N 3.46Å
45	H	96.7	Very high	90	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	148.6	173.1	-74.1	-51.2	0	0	0	111.2	V13 Y15 L43 V48 H89 G90 P91 Y97	V13-H45 WeakPolarHBondContact O-CA 3.41Å; V13-H45 PolarHBondContact O-ND1 2.64Å; Y15-H45 AromaticContact CD2-CD2 3.91Å; Y15-H45 AromaticContact CD2-CE1 3.92Å; Y15-H45 AromaticContact CD2-NE2 3.58Å; L43-H45 WeakPolarHBondContact CD1-CE1 3.27Å; H45-V48 HydrophobicContact CB-CG1 3.94Å; H45-H89 HydrophobicContact CB-CB 3.96Å; H45-G90 CarbonylContact O-C 3.56Å; H45-G90 VanDerWaalsContact O-C 3.26Å; H45-G90 VanDerWaalsContact O-CA 3.24Å; H45-G90 WeakPolarHBondContact O-CA 3.23Å; H45-P91 WeakPolarHBondContact O-CD 3.18Å; H45-Y97 AromaticContact NE2-CE2 3.9Å; H45-Y97 AromaticContact NE2-CZ 3.74Å; H45-Y97 PolarHBondContact NE2-OH 3.17Å
46	C	92.9	Very high	90.1	Very high	47 Å²	47	37.9 Å²	37.9	32%	0.318	20%	0.199	S	C	.	.	S	Bend	trans	-52.9	149.3	152.8	-62.4	0	0	0	0	108.9	C12 V48	C12-C46 VanDerWaalsContact SG-SG 3.61Å; C46-V48 WeakPolarHBondContact O-CG1 3.35Å; C46-V48 PolarHBondContact O-N 2.93Å; C46-V48 VanDerWaalsContact O-N 3.08Å
47	P	95.4	Very high	90.1	Very high	43 Å²	43	39.4 Å²	39.4	28%	0.279	20%	0.203	S	C	.	.	S	Bend	trans	-47.3	120.6	-179.9	-29.8	36.8	0	0	0	112	A75 E76 Y88 H89 P91	P47-A75 HydrophobicContact CB-CB 3.84Å; P47-A75 CarbonylContact O-C 3.2Å; P47-A75 WeakPolarHBondContact O-CA 3.46Å; P47-E76 PolarHBondContact O-N 2.93Å; P47-Y88 HydrophobicContact CB-CE2 4.09Å; P47-H89 CarbonylContact C-O 3.59Å; P47-H89 WeakPolarHBondContact CA-O 3.48Å; P47-P91 HydrophobicContact CG-CG 4.48Å
48	V	95.5	Very high	89.5	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	132.5	-176.7	61.4	0	0	0	0	110.7	Y15 H45 C46 T50 E76 V78 Y88 H89	Y15-V48 HydrophobicContact CD2-CG1 4.24Å; Y15-V48 HydrophobicContact CG-CG2 4.36Å; H45-V48 HydrophobicContact CB-CG1 3.94Å; C46-V48 WeakPolarHBondContact O-CG1 3.35Å; C46-V48 PolarHBondContact O-N 2.93Å; C46-V48 VanDerWaalsContact O-N 3.08Å; V48-T50 HydrophobicContact CG2-CG2 4.09Å; V48-E76 CarbonylContact C-O 3.56Å; V48-E76 WeakPolarHBondContact CA-O 3.44Å; V48-E76 HydrophobicContact CB-CB 4.12Å; V48-E76 HydrophobicContact CG2-CB 3.83Å; V48-V78 HydrophobicContact CG2-CB 4.41Å; V48-V78 HydrophobicContact CG2-CG2 3.84Å; V48-Y88 CarbonylContact O-C 3.24Å; V48-Y88 WeakPolarHBondContact O-CA 3.48Å; V48-Y88 WeakPolarHBondContact O-CD2 3.36Å; V48-H89 HydrophobicContact CG1-CB 3.79Å; V48-H89 PolarHBondContact N-O 2.87Å; V48-H89 PolarHBondContact O-N 2.97Å
49	Y	93.9	Very high	88.8	Confident	46 Å²	46	49.2 Å²	49.2	18%	0.18	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	124.6	161.4	-66.7	-78.4	0	0	0	108.5	L70 A75 E76 F77 V78 I86 T87 Y88	Y49-L70 HydrophobicContact CD1-CD1 4.46Å; Y49-L70 HydrophobicContact CD2-CB 3.79Å; Y49-L70 HydrophobicContact CD2-CD1 4.39Å; Y49-L70 HydrophobicContact CD2-CD2 4.34Å; Y49-L70 HydrophobicContact CD2-CG 4.39Å; Y49-L70 HydrophobicContact CE1-CD2 4.12Å; Y49-L70 HydrophobicContact CE2-CB 3.85Å; Y49-L70 HydrophobicContact CE2-CD2 3.82Å; Y49-L70 HydrophobicContact CE2-CG 4.3Å; Y49-L70 HydrophobicContact CG-CB 4.47Å; Y49-L70 HydrophobicContact CG-CD1 4.28Å; Y49-A75 HydrophobicContact CD2-CB 3.71Å; Y49-A75 HydrophobicContact CE2-CB 3.67Å; Y49-E76 PolarHBondContact N-O 3.37Å; Y49-F77 HydrophobicContact CG-CD2 4.46Å; Y49-F77 CarbonylContact O-C 3.55Å; Y49-F77 VanDerWaalsContact O-CA 3.32Å; Y49-F77 WeakPolarHBondContact O-CA 3.49Å; Y49-V78 PolarHBondContact O-N 2.98Å; Y49-I86 HydrophobicContact CD1-CD1 4.1Å; Y49-I86 HydrophobicContact CD1-CG1 4.42Å; Y49-I86 HydrophobicContact CG-CD1 4.48Å; Y49-T87 WeakPolarHBondContact CA-O 3.5Å; Y49-Y88 HydrophobicContact CD1-CD2 4.09Å; Y49-Y88 AromaticContact CE1-CD2 3.78Å; Y49-Y88 HydrophobicContact CE1-CD2 3.78Å; Y49-Y88 HydrophobicContact CE1-CG 4.21Å; Y49-Y88 HydrophobicContact CE2-CD2 4.27Å; Y49-Y88 HydrophobicContact CG-CD2 4.47Å; Y49-Y88 AromaticContact CZ-CD2 3.87Å
50	T	91.4	Very high	88.1	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.6	169.1	66.7	0	0	0	0	108.4	Y15 V48 V78 T80 R82 I86 T87	Y15-T50 HydrophobicContact CD1-CG2 4.31Å; Y15-T50 HydrophobicContact CD2-CG2 3.76Å; Y15-T50 HydrophobicContact CE1-CG2 4Å; Y15-T50 HydrophobicContact CE2-CG2 3.42Å; Y15-T50 VanDerWaalsContact CE2-CG2 3.42Å; Y15-T50 HydrophobicContact CG-CG2 4.19Å; V48-T50 HydrophobicContact CG2-CG2 4.09Å; T50-V78 CarbonylContact C-O 3.58Å; T50-V78 VanDerWaalsContact CA-O 3.28Å; T50-V78 WeakPolarHBondContact CA-O 3.41Å; T50-T80 HydrophobicContact CG2-CG2 4.28Å; T50-R82 PolarHBondContact O-NH2 3.46Å; T50-R82 PolarHBondContact OG1-NE 2.91Å; T50-R82 PolarHBondContact OG1-NH2 3.48Å; T50-I86 CarbonylContact O-C 3.54Å; T50-I86 WeakPolarHBondContact O-CA 3.46Å; T50-I86 WeakPolarHBondContact O-CG1 3.31Å; T50-T87 PolarHBondContact N-O 2.89Å; T50-T87 PolarHBondContact O-N 3.34Å; T50-T87 WeakPolarHBondContact OG1-CG2 3.25Å
51	I	89	Confident	87.2	Confident	7 Å²	7	53.5 Å²	53.5	4%	0.036	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.3	172.3	-164.4	164.4	0	0	0	109.2	H55 Y62 F77 V78 T80 L85	I51-H55 HydrophobicContact CD1-CB 3.33Å; I51-H55 HydrophobicContact CG1-CB 3.61Å; I51-Y62 HydrophobicContact CD1-CD2 3.54Å; I51-Y62 HydrophobicContact CD1-CE2 4.06Å; I51-Y62 HydrophobicContact CD1-CG 4.27Å; I51-F77 HydrophobicContact CB-CE1 4.13Å; I51-F77 HydrophobicContact CB-CZ 3.92Å; I51-F77 HydrophobicContact CD1-CZ 4.08Å; I51-F77 HydrophobicContact CG2-CE1 3.58Å; I51-F77 HydrophobicContact CG2-CZ 3.88Å; I51-V78 PolarHBondContact N-O 3.39Å; I51-T80 PolarHBondContact O-N 3.34Å; I51-T80 VanDerWaalsContact O-O 3.13Å; I51-T80 PolarHBondContact O-OG1 2.95Å; I51-L85 CarbonylContact C-O 3.44Å; I51-L85 WeakPolarHBondContact CA-O 3.48Å; I51-L85 HydrophobicContact CD1-CD1 4.43Å; I51-L85 HydrophobicContact CG1-CD1 4.4Å
52	G	84.3	Confident	86.4	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.291	C	S	.	.			trans	-97.3	-177.8	-179.1	0	0	0	0	0	111.7	R54 H55 T80 R82 G84 L85	G52-R54 PolarHBondContact O-N 2.84Å; G52-H55 PolarHBondContact O-N 3.49Å; G52-H55 PolarHBondContact O-ND1 3.28Å; G52-T80 WeakPolarHBondContact CA-O 3.37Å; G52-R82 CarbonylContact C-O 3.54Å; G52-R82 VanDerWaalsContact CA-O 3.22Å; G52-R82 WeakPolarHBondContact CA-O 3.44Å; G52-G84 CarbonylContact C-O 3.57Å; G52-G84 VanDerWaalsContact C-O 3.24Å; G52-G84 WeakPolarHBondContact CA-O 3.32Å; G52-L85 PolarHBondContact N-O 2.93Å
53	I	80.8	Confident	85.7	Confident	83 Å²	83	55 Å²	55	43%	0.426	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-60.7	-17.2	-170.2	64.1	175.9	0	0	0	115.5	H55 T56 D81 R82 G84	I53-H55 PolarHBondContact O-N 3.38Å; I53-T56 PolarHBondContact O-N 3.42Å; I53-T56 PolarHBondContact O-OG1 2.94Å; I53-D81 HydrophobicContact CG2-CB 4.38Å; I53-R82 PolarHBondContact N-O 3.42Å; I53-G84 PolarHBondContact N-O 3.43Å
54	R	80.6	Confident	85.1	Confident	145 Å²	145	61.3 Å²	61.3	55%	0.547	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-71.9	-9	-178.6	-69.5	-177.3	64	-175.2	-3.2	114.2	G52 T56 D57 N60 G84 L85	G52-R54 PolarHBondContact O-N 2.84Å; R54-T56 PolarHBondContact O-N 2.97Å; R54-D57 WeakPolarHBondContact O-CB 3.47Å; R54-D57 PolarHBondContact O-N 3.2Å; R54-N60 WeakPolarHBondContact O-CB 3.43Å; R54-N60 PolarHBondContact O-ND2 3.19Å; R54-N60 VanDerWaalsContact O-ND2 3.16Å; R54-G84 WeakPolarHBondContact CB-O 3.32Å; R54-G84 PolarHBondContact N-O 3.33Å; R54-L85 HydrophobicContact CB-CB 4.23Å; R54-L85 HydrophobicContact CB-CD1 4.22Å
55	H	77.8	Confident	84.7	Confident	57 Å²	57	66 Å²	66	26%	0.264	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-71	-13.3	176.7	77.1	-81.9	0	0	0	113.9	I51 G52 I53 D57 L85	I51-H55 HydrophobicContact CD1-CB 3.33Å; I51-H55 HydrophobicContact CG1-CB 3.61Å; G52-H55 PolarHBondContact O-N 3.49Å; G52-H55 PolarHBondContact O-ND1 3.28Å; I53-H55 PolarHBondContact O-N 3.38Å; H55-D57 PolarHBondContact O-N 2.94Å; H55-L85 HydrophobicContact CB-CD1 3.99Å
56	T	75	Confident	84.3	Confident	110 Å²	110	67.9 Å²	67.9	68%	0.675	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-71.2	-17.2	175.4	58.2	0	0	0	0	112.5	I53 R54 P58	I53-T56 PolarHBondContact O-N 3.42Å; I53-T56 PolarHBondContact O-OG1 2.94Å; R54-T56 PolarHBondContact O-N 2.97Å; T56-P58 WeakPolarHBondContact O-CD 3.41Å
57	D	77.3	Confident	84.2	Confident	74 Å²	74	67.9 Å²	67.9	40%	0.396	35%	0.348	S	S	.	.	S	Bend	trans	-71.1	121.9	166	-178.6	-17.4	0	0	0	108.7	R54 H55 M59 N60 D61	R54-D57 WeakPolarHBondContact O-CB 3.47Å; R54-D57 PolarHBondContact O-N 3.2Å; H55-D57 PolarHBondContact O-N 2.94Å; D57-M59 PolarHBondContact O-N 3.41Å; D57-M59 WeakPolarHBondContact OD1-CB 3.49Å; D57-M59 PolarHBondContact OD1-N 3.43Å; D57-N60 HydrophobicContact CB-CB 4.38Å; D57-N60 WeakPolarHBondContact CB-ND2 3.39Å; D57-N60 WeakPolarHBondContact O-CA 3.36Å; D57-N60 PolarHBondContact O-N 3.3Å; D57-N60 PolarHBondContact OD2-ND2 2.98Å; D57-D61 PolarHBondContact O-N 2.87Å
58	P	75.4	Confident	84	Confident	104 Å²	104	71.8 Å²	71.8	68%	0.675	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-54.3	-27.3	179.3	-25.1	33.6	0	0	0	113.9	T56 N60 D61	T56-P58 WeakPolarHBondContact O-CD 3.41Å; P58-N60 PolarHBondContact O-N 2.88Å; P58-D61 PolarHBondContact O-N 3.35Å
59	M	77.7	Confident	83.8	Confident	160 Å²	160	78.8 Å²	78.8	79%	0.788	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-71.1	-15.8	177.1	-62.6	-62.5	102.1	0	0	113.2	D57	D57-M59 PolarHBondContact O-N 3.41Å; D57-M59 WeakPolarHBondContact OD1-CB 3.49Å; D57-M59 PolarHBondContact OD1-N 3.43Å
60	N	79.6	Confident	83.6	Confident	34 Å²	34	77.3 Å²	77.3	18%	0.182	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-113	11.2	-178.9	-62.5	-45.9	0	0	0	112.5	R54 D57 P58 Y62 L85	R54-N60 WeakPolarHBondContact O-CB 3.43Å; R54-N60 PolarHBondContact O-ND2 3.19Å; R54-N60 VanDerWaalsContact O-ND2 3.16Å; D57-N60 HydrophobicContact CB-CB 4.38Å; D57-N60 WeakPolarHBondContact CB-ND2 3.39Å; D57-N60 WeakPolarHBondContact O-CA 3.36Å; D57-N60 PolarHBondContact O-N 3.3Å; D57-N60 PolarHBondContact OD2-ND2 2.98Å; P58-N60 PolarHBondContact O-N 2.88Å; N60-Y62 VanDerWaalsContact O-CD2 3.26Å; N60-Y62 WeakPolarHBondContact O-CD2 3.37Å; N60-Y62 PolarHBondContact O-N 2.95Å; N60-L85 HydrophobicContact CB-CD1 3.57Å; N60-L85 HydrophobicContact CB-CD2 3.76Å; N60-L85 HydrophobicContact CB-CG 4.29Å
61	D	77.1	Confident	83.6	Confident	110 Å²	110	82.5 Å²	82.5	59%	0.588	41%	0.405	S	S	*	.			trans	-69.4	122.9	176.4	-174.1	10.3	0	0	0	109.8	D57 P58 G63	D57-D61 PolarHBondContact O-N 2.87Å; P58-D61 PolarHBondContact O-N 3.35Å; D61-G63 VanDerWaalsContact C-N 3.3Å; D61-G63 PolarHBondContact OD1-N 3.34Å
62	Y	79.2	Confident	83.8	Confident	63 Å²	63	86.7 Å²	86.7	25%	0.247	44%	0.435	C	S	.	.			trans	-77.5	-23.1	175	-79	-105.1	0	0	0	110.5	I51 N60 T66 L70 L85 I86	I51-Y62 HydrophobicContact CD1-CD2 3.54Å; I51-Y62 HydrophobicContact CD1-CE2 4.06Å; I51-Y62 HydrophobicContact CD1-CG 4.27Å; N60-Y62 VanDerWaalsContact O-CD2 3.26Å; N60-Y62 WeakPolarHBondContact O-CD2 3.37Å; N60-Y62 PolarHBondContact O-N 2.95Å; Y62-T66 HydrophobicContact CD1-CG2 3.86Å; Y62-T66 WeakPolarHBondContact O-CB 3.49Å; Y62-T66 PolarHBondContact O-OG1 3.06Å; Y62-L70 HydrophobicContact CD1-CD1 4.41Å; Y62-L85 HydrophobicContact CE2-CD1 3.91Å; Y62-L85 HydrophobicContact CE2-CD2 3.93Å; Y62-L85 HydrophobicContact CE2-CG 3.8Å; Y62-I86 HydrophobicContact CD1-CD1 3.97Å; Y62-I86 HydrophobicContact CE1-CB 4.34Å; Y62-I86 HydrophobicContact CE1-CD1 3.62Å; Y62-I86 HydrophobicContact CE1-CG2 4.13Å; Y62-I86 HydrophobicContact CE2-CB 4.15Å; Y62-I86 HydrophobicContact CE2-CD1 4.5Å; Y62-I86 HydrophobicContact CE2-CG2 4.41Å; Y62-I86 WeakPolarHBondContact OH-CG2 3.34Å
63	G	83.4	Confident	84.1	Confident	23 Å²	23	92.3 Å²	92.3	24%	0.237	46%	0.464	C	S	.	.	H	α-helix	trans	66.5	160.1	-177.3	0	0	0	0	0	113	D61 H65 T66 I67	D61-G63 VanDerWaalsContact C-N 3.3Å; D61-G63 PolarHBondContact OD1-N 3.34Å; G63-H65 VanDerWaalsContact C-N 3.27Å; G63-H65 PolarHBondContact O-N 3.22Å; G63-T66 PolarHBondContact O-N 2.75Å; G63-I67 WeakPolarHBondContact O-CG1 3.13Å; G63-I67 PolarHBondContact O-N 3.49Å; G63-I67 VanDerWaalsContact O-N 3.14Å
64	E	86.9	Confident	84.6	Confident	132 Å²	132	91.3 Å²	91.3	62%	0.617	47%	0.474	S	S	*	.	H	α-helix	trans	-61.6	-35.9	-175.5	-163.3	-171.9	161.4	0	0	112.6	I67 K68	E64-I67 PolarHBondContact O-N 3.25Å; E64-K68 WeakPolarHBondContact O-CB 3.25Å; E64-K68 PolarHBondContact O-N 3.06Å; E64-K68 WeakPolarHBondContact OE1-CE 3.36Å; E64-K68 IonicContact OE1-NZ 3.95Å; E64-K68 PolarHBondContact OE1-NZ 3.48Å
65	H	88.9	Confident	85.1	Confident	149 Å²	149	84.8 Å²	84.8	69%	0.69	45%	0.451	S	S	*	.	H	α-helix	trans	-62.7	-46.6	179.3	178.6	-88.8	0	0	0	112.1	G63 K68 R69	G63-H65 VanDerWaalsContact C-N 3.27Å; G63-H65 PolarHBondContact O-N 3.22Å; H65-K68 PolarHBondContact O-N 2.87Å; H65-R69 PolarHBondContact O-N 2.94Å
66	T	88.3	Confident	85.8	Confident	39 Å²	39	86.1 Å²	86.1	24%	0.239	46%	0.457	C	S	.	.	H	α-helix	trans	-68.1	-39.3	178.7	-48.9	0	0	0	0	110.8	Y62 G63 K68 R69 L70	Y62-T66 HydrophobicContact CD1-CG2 3.86Å; Y62-T66 WeakPolarHBondContact O-CB 3.49Å; Y62-T66 PolarHBondContact O-OG1 3.06Å; G63-T66 PolarHBondContact O-N 2.75Å; T66-K68 VanDerWaalsContact C-N 3.35Å; T66-K68 PolarHBondContact O-N 3.11Å; T66-R69 PolarHBondContact O-N 3.17Å; T66-L70 HydrophobicContact CG2-CD1 4.21Å; T66-L70 HydrophobicContact CG2-CG 4.32Å; T66-L70 VanDerWaalsContact O-CG 3.32Å; T66-L70 WeakPolarHBondContact O-CG 3.28Å; T66-L70 PolarHBondContact O-N 3.44Å
67	I	89.6	Confident	86.6	Confident	46 Å²	46	82.4 Å²	82.4	24%	0.236	43%	0.432	C	S	.	.	H	α-helix	trans	-59	-46.7	175.3	-66	169.4	0	0	0	110.5	G63 E64 R69 L70 K71 F77	G63-I67 WeakPolarHBondContact O-CG1 3.13Å; G63-I67 PolarHBondContact O-N 3.49Å; G63-I67 VanDerWaalsContact O-N 3.14Å; E64-I67 PolarHBondContact O-N 3.25Å; I67-R69 PolarHBondContact O-N 3.16Å; I67-L70 PolarHBondContact O-N 3.08Å; I67-K71 HydrophobicContact CG2-CD 4.38Å; I67-K71 WeakPolarHBondContact O-CG 3.5Å; I67-K71 PolarHBondContact O-N 2.78Å; I67-F77 HydrophobicContact CD1-CE1 4.07Å; I67-F77 HydrophobicContact CD1-CZ 4.26Å; I67-F77 HydrophobicContact CG1-CD1 4.38Å; I67-F77 HydrophobicContact CG1-CD2 4.48Å; I67-F77 HydrophobicContact CG1-CE1 3.93Å; I67-F77 HydrophobicContact CG1-CE2 4.04Å; I67-F77 HydrophobicContact CG1-CZ 3.75Å; I67-F77 HydrophobicContact CG2-CB 4.32Å; I67-F77 HydrophobicContact CG2-CD1 3.98Å; I67-F77 HydrophobicContact CG2-CD2 4.3Å; I67-F77 HydrophobicContact CG2-CE1 4.37Å; I67-F77 HydrophobicContact CG2-CG 3.95Å
68	K	91.3	Very high	87.3	Confident	126 Å²	126	79.7 Å²	79.7	55%	0.548	42%	0.418	S	S	.	.	H	α-helix	trans	-59.7	-44.3	175.2	-80.3	178.2	-177.7	163.1	0	111.9	E64 H65 T66 L70 K71 S72	E64-K68 WeakPolarHBondContact O-CB 3.25Å; E64-K68 PolarHBondContact O-N 3.06Å; E64-K68 WeakPolarHBondContact OE1-CE 3.36Å; E64-K68 IonicContact OE1-NZ 3.95Å; E64-K68 PolarHBondContact OE1-NZ 3.48Å; H65-K68 PolarHBondContact O-N 2.87Å; T66-K68 VanDerWaalsContact C-N 3.35Å; T66-K68 PolarHBondContact O-N 3.11Å; K68-L70 PolarHBondContact O-N 3.24Å; K68-K71 PolarHBondContact O-N 2.85Å; K68-S72 PolarHBondContact O-N 3.49Å
69	R	91.7	Very high	87.8	Confident	147 Å²	147	78.4 Å²	78.4	56%	0.555	41%	0.411	S	S	*	.	H	α-helix	trans	-61.1	-42.3	177	-167.6	-174.3	89.3	-174	6.1	112.4	H65 T66 I67 S72	H65-R69 PolarHBondContact O-N 2.94Å; T66-R69 PolarHBondContact O-N 3.17Å; I67-R69 PolarHBondContact O-N 3.16Å; R69-S72 PolarHBondContact O-N 2.85Å; R69-S72 PolarHBondContact O-OG 2.8Å
70	L	90.7	Very high	88.1	Confident	14 Å²	14	71.4 Å²	71.4	7%	0.073	38%	0.378	C	S	.	.	H	α-helix	trans	-67.8	-40.6	178.9	-68.7	175.5	0	0	0	111.1	Y49 Y62 T66 I67 K68 S72 L73 F77 I86	Y49-L70 HydrophobicContact CD1-CD1 4.46Å; Y49-L70 HydrophobicContact CD2-CB 3.79Å; Y49-L70 HydrophobicContact CD2-CD1 4.39Å; Y49-L70 HydrophobicContact CD2-CD2 4.34Å; Y49-L70 HydrophobicContact CD2-CG 4.39Å; Y49-L70 HydrophobicContact CE1-CD2 4.12Å; Y49-L70 HydrophobicContact CE2-CB 3.85Å; Y49-L70 HydrophobicContact CE2-CD2 3.82Å; Y49-L70 HydrophobicContact CE2-CG 4.3Å; Y49-L70 HydrophobicContact CG-CB 4.47Å; Y49-L70 HydrophobicContact CG-CD1 4.28Å; Y62-L70 HydrophobicContact CD1-CD1 4.41Å; T66-L70 HydrophobicContact CG2-CD1 4.21Å; T66-L70 HydrophobicContact CG2-CG 4.32Å; T66-L70 VanDerWaalsContact O-CG 3.32Å; T66-L70 WeakPolarHBondContact O-CG 3.28Å; T66-L70 PolarHBondContact O-N 3.44Å; I67-L70 PolarHBondContact O-N 3.08Å; K68-L70 PolarHBondContact O-N 3.24Å; L70-S72 VanDerWaalsContact C-N 3.33Å; L70-S72 PolarHBondContact O-N 3.3Å; L70-L73 HydrophobicContact CD2-CD1 4.44Å; L70-L73 WeakPolarHBondContact O-CB 3.45Å; L70-L73 PolarHBondContact O-N 3.32Å; L70-F77 HydrophobicContact CB-CD2 4.35Å; L70-F77 HydrophobicContact CD1-CD2 4.05Å; L70-F77 HydrophobicContact CD1-CE2 3.76Å; L70-I86 HydrophobicContact CD1-CD1 3.86Å
71	K	90.8	Very high	88	Confident	110 Å²	110	73.5 Å²	73.5	48%	0.478	39%	0.389	S	S	.	.	H	α-helix	trans	-61.9	-38.4	173.4	-72.6	-176.7	177.9	-172.3	0	112.7	I67 K68 L73 G74 A75 F77	I67-K71 HydrophobicContact CG2-CD 4.38Å; I67-K71 WeakPolarHBondContact O-CG 3.5Å; I67-K71 PolarHBondContact O-N 2.78Å; K68-K71 PolarHBondContact O-N 2.85Å; K71-L73 PolarHBondContact O-N 3.12Å; K71-L73 VanDerWaalsContact O-N 3.14Å; K71-G74 PolarHBondContact O-N 3.39Å; K71-A75 WeakPolarHBondContact CA-O 3.46Å; K71-F77 HydrophobicContact CD-CB 4.36Å; K71-F77 HydrophobicContact CG-CB 3.88Å
72	S	93	Very high	88.1	Confident	95 Å²	95	68.7 Å²	68.7	66%	0.664	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-12	179.1	68.3	0	0	0	0	113.9	K68 R69 L70 G74	K68-S72 PolarHBondContact O-N 3.49Å; R69-S72 PolarHBondContact O-N 2.85Å; R69-S72 PolarHBondContact O-OG 2.8Å; L70-S72 VanDerWaalsContact C-N 3.33Å; L70-S72 PolarHBondContact O-N 3.3Å; S72-G74 PolarHBondContact O-N 3.31Å
73	L	91.9	Very high	87.8	Confident	118 Å²	118	67 Å²	67	62%	0.618	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	4.1	171.2	-60.3	174.5	0	0	0	113.1	L70 K71	L70-L73 HydrophobicContact CD2-CD1 4.44Å; L70-L73 WeakPolarHBondContact O-CB 3.45Å; L70-L73 PolarHBondContact O-N 3.32Å; K71-L73 PolarHBondContact O-N 3.12Å; K71-L73 VanDerWaalsContact O-N 3.14Å
74	G	89.9	Confident	87.5	Confident	62 Å²	62	67.2 Å²	67.2	64%	0.639	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	17.5	-179.9	0	0	0	0	0	114	K71 S72	K71-G74 PolarHBondContact O-N 3.39Å; S72-G74 PolarHBondContact O-N 3.31Å
75	A	91.7	Very high	87.3	Confident	8 Å²	8	62.6 Å²	62.6	7%	0.066	35%	0.346	C	S	.	.			trans	-107	144.1	175.7	0	0	0	0	0	111.7	P47 Y49 K71	P47-A75 HydrophobicContact CB-CB 3.84Å; P47-A75 CarbonylContact O-C 3.2Å; P47-A75 WeakPolarHBondContact O-CA 3.46Å; Y49-A75 HydrophobicContact CD2-CB 3.71Å; Y49-A75 HydrophobicContact CE2-CB 3.67Å; K71-A75 WeakPolarHBondContact CA-O 3.46Å
76	E	92.6	Very high	87.3	Confident	84 Å²	84	57.9 Å²	57.9	39%	0.393	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	159	165.5	-69.3	-171.1	160.6	0	0	110.6	P47 V48 Y49	P47-E76 PolarHBondContact O-N 2.93Å; V48-E76 CarbonylContact C-O 3.56Å; V48-E76 WeakPolarHBondContact CA-O 3.44Å; V48-E76 HydrophobicContact CB-CB 4.12Å; V48-E76 HydrophobicContact CG2-CB 3.83Å; Y49-E76 PolarHBondContact N-O 3.37Å
77	F	92.1	Very high	87.3	Confident	32 Å²	32	57.9 Å²	57.9	14%	0.14	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	115.7	170	-168.2	-76.8	0	0	0	108.8	Y49 I51 I67 L70 K71 I86	Y49-F77 HydrophobicContact CG-CD2 4.46Å; Y49-F77 CarbonylContact O-C 3.55Å; Y49-F77 VanDerWaalsContact O-CA 3.32Å; Y49-F77 WeakPolarHBondContact O-CA 3.49Å; I51-F77 HydrophobicContact CB-CE1 4.13Å; I51-F77 HydrophobicContact CB-CZ 3.92Å; I51-F77 HydrophobicContact CD1-CZ 4.08Å; I51-F77 HydrophobicContact CG2-CE1 3.58Å; I51-F77 HydrophobicContact CG2-CZ 3.88Å; I67-F77 HydrophobicContact CD1-CE1 4.07Å; I67-F77 HydrophobicContact CD1-CZ 4.26Å; I67-F77 HydrophobicContact CG1-CD1 4.38Å; I67-F77 HydrophobicContact CG1-CD2 4.48Å; I67-F77 HydrophobicContact CG1-CE1 3.93Å; I67-F77 HydrophobicContact CG1-CE2 4.04Å; I67-F77 HydrophobicContact CG1-CZ 3.75Å; I67-F77 HydrophobicContact CG2-CB 4.32Å; I67-F77 HydrophobicContact CG2-CD1 3.98Å; I67-F77 HydrophobicContact CG2-CD2 4.3Å; I67-F77 HydrophobicContact CG2-CE1 4.37Å; I67-F77 HydrophobicContact CG2-CG 3.95Å; L70-F77 HydrophobicContact CB-CD2 4.35Å; L70-F77 HydrophobicContact CD1-CD2 4.05Å; L70-F77 HydrophobicContact CD1-CE2 3.76Å; K71-F77 HydrophobicContact CD-CB 4.36Å; K71-F77 HydrophobicContact CG-CB 3.88Å; F77-I86 HydrophobicContact CE2-CD1 3.91Å; F77-I86 HydrophobicContact CZ-CD1 4.48Å
78	V	90.6	Very high	87.4	Confident	17 Å²	17	60.4 Å²	60.4	10%	0.103	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.4	-172.8	-176.6	0	0	0	0	109.9	Y15 V48 Y49 T50 I51 T80	Y15-V78 HydrophobicContact CD1-CB 4.15Å; Y15-V78 HydrophobicContact CD1-CG1 3.83Å; Y15-V78 HydrophobicContact CD1-CG2 4.16Å; Y15-V78 HydrophobicContact CE1-CB 4.46Å; Y15-V78 HydrophobicContact CE1-CG1 3.93Å; V48-V78 HydrophobicContact CG2-CB 4.41Å; V48-V78 HydrophobicContact CG2-CG2 3.84Å; Y49-V78 PolarHBondContact O-N 2.98Å; T50-V78 CarbonylContact C-O 3.58Å; T50-V78 VanDerWaalsContact CA-O 3.28Å; T50-V78 WeakPolarHBondContact CA-O 3.41Å; I51-V78 PolarHBondContact N-O 3.39Å; V78-T80 HydrophobicContact CB-CG2 4.49Å; V78-T80 HydrophobicContact CG1-CG2 3.92Å
79	S	87.1	Confident	87.5	Confident	77 Å²	77	55.7 Å²	55.7	54%	0.538	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	136.6	167.6	-165	0	0	0	0	109.9
80	T	84.6	Confident	87.6	Confident	13 Å²	13	48.7 Å²	48.7	8%	0.08	29%	0.286	C	S	.	.			trans	-140.5	154.8	-172.2	69.4	0	0	0	0	109.8	Y15 T50 I51 G52 V78 R82	Y15-T80 HydrophobicContact CE1-CG2 3.7Å; Y15-T80 WeakPolarHBondContact OH-CG2 3.37Å; T50-T80 HydrophobicContact CG2-CG2 4.28Å; I51-T80 PolarHBondContact O-N 3.34Å; I51-T80 VanDerWaalsContact O-O 3.13Å; I51-T80 PolarHBondContact O-OG1 2.95Å; G52-T80 WeakPolarHBondContact CA-O 3.37Å; V78-T80 HydrophobicContact CB-CG2 4.49Å; V78-T80 HydrophobicContact CG1-CG2 3.92Å; T80-R82 PolarHBondContact O-N 3.31Å; T80-R82 VanDerWaalsContact OG1-CG 3.26Å; T80-R82 WeakPolarHBondContact OG1-CG 3.4Å
81	D	77.1	Confident	87.8	Confident	79 Å²	79	52.1 Å²	52.1	42%	0.422	31%	0.31	S	S	.	.			trans	-91.5	18.6	176.2	-62.6	-41	0	0	0	112.8	I53 P159 Q162	I53-D81 HydrophobicContact CG2-CB 4.38Å; D81-P159 VanDerWaalsContact O-CD 3.31Å; D81-P159 WeakPolarHBondContact O-CD 3.48Å; D81-Q162 HydrophobicContact CB-CG 4.04Å; D81-Q162 VanDerWaalsContact OD2-CD 3.23Å; D81-Q162 PolarHBondContact OD2-NE2 3.45Å; D81-Q162 PolarHBondContact OD2-OE1 3.04Å
82	R	79.1	Confident	88	Confident	8 Å²	8	50.5 Å²	50.5	3%	0.03	32%	0.324	C	S	.	.	S	Bend	trans	-70.3	154.8	175.7	82.9	-179.1	172.2	43.4	9.7	110.1	T50 G52 I53 T80 L85 T87 V156 Y158	T50-R82 PolarHBondContact O-NH2 3.46Å; T50-R82 PolarHBondContact OG1-NE 2.91Å; T50-R82 PolarHBondContact OG1-NH2 3.48Å; G52-R82 CarbonylContact C-O 3.54Å; G52-R82 VanDerWaalsContact CA-O 3.22Å; G52-R82 WeakPolarHBondContact CA-O 3.44Å; I53-R82 PolarHBondContact N-O 3.42Å; T80-R82 PolarHBondContact O-N 3.31Å; T80-R82 VanDerWaalsContact OG1-CG 3.26Å; T80-R82 WeakPolarHBondContact OG1-CG 3.4Å; R82-L85 PolarHBondContact NH1-O 2.83Å; R82-L85 PolarHBondContact NH2-O 2.95Å; R82-T87 VanDerWaalsContact NH2-N 3.13Å; R82-V156 HydrophobicContact CB-CG1 3.98Å; R82-V156 HydrophobicContact CG-CG1 4.14Å; R82-Y158 HydrophobicContact CB-CD1 3.92Å; R82-Y158 HydrophobicContact CB-CE1 3.49Å; R82-Y158 VanDerWaalsContact CB-CE1 3.49Å
83	G	72.1	Confident	88.1	Confident	28 Å²	28	49.5 Å²	49.5	29%	0.289	31%	0.308	S	S	.	.	S	Bend	trans	-63.4	153.3	169.1	0	0	0	0	0	112.8
84	G	78.1	Confident	88.3	Confident	27 Å²	27	48.6 Å²	48.6	28%	0.278	30%	0.304	S	S	.	.	S	Bend	trans	94.9	-176.6	178.1	0	0	0	0	0	113.7	G52 I53 R54	G52-G84 CarbonylContact C-O 3.57Å; G52-G84 VanDerWaalsContact C-O 3.24Å; G52-G84 WeakPolarHBondContact CA-O 3.32Å; I53-G84 PolarHBondContact N-O 3.43Å; R54-G84 WeakPolarHBondContact CB-O 3.32Å; R54-G84 PolarHBondContact N-O 3.33Å
85	L	82.4	Confident	88.6	Confident	35 Å²	35	46.3 Å²	46.3	18%	0.183	28%	0.278	C	S	.	.	S	Bend	trans	-97.6	-111	-177.8	-174	53.3	0	0	0	110.6	I51 G52 R54 H55 N60 Y62 R82	I51-L85 CarbonylContact C-O 3.44Å; I51-L85 WeakPolarHBondContact CA-O 3.48Å; I51-L85 HydrophobicContact CD1-CD1 4.43Å; I51-L85 HydrophobicContact CG1-CD1 4.4Å; G52-L85 PolarHBondContact N-O 2.93Å; R54-L85 HydrophobicContact CB-CB 4.23Å; R54-L85 HydrophobicContact CB-CD1 4.22Å; H55-L85 HydrophobicContact CB-CD1 3.99Å; N60-L85 HydrophobicContact CB-CD1 3.57Å; N60-L85 HydrophobicContact CB-CD2 3.76Å; N60-L85 HydrophobicContact CB-CG 4.29Å; Y62-L85 HydrophobicContact CE2-CD1 3.91Å; Y62-L85 HydrophobicContact CE2-CD2 3.93Å; Y62-L85 HydrophobicContact CE2-CG 3.8Å; R82-L85 PolarHBondContact NH1-O 2.83Å; R82-L85 PolarHBondContact NH2-O 2.95Å
86	I	88.1	Confident	88.8	Confident	50 Å²	50	48.4 Å²	48.4	26%	0.256	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	149.9	177.4	-156.9	168	0	0	0	110.6	Y49 T50 Y62 L70 F77	Y49-I86 HydrophobicContact CD1-CD1 4.1Å; Y49-I86 HydrophobicContact CD1-CG1 4.42Å; Y49-I86 HydrophobicContact CG-CD1 4.48Å; T50-I86 CarbonylContact O-C 3.54Å; T50-I86 WeakPolarHBondContact O-CA 3.46Å; T50-I86 WeakPolarHBondContact O-CG1 3.31Å; Y62-I86 HydrophobicContact CD1-CD1 3.97Å; Y62-I86 HydrophobicContact CE1-CB 4.34Å; Y62-I86 HydrophobicContact CE1-CD1 3.62Å; Y62-I86 HydrophobicContact CE1-CG2 4.13Å; Y62-I86 HydrophobicContact CE2-CB 4.15Å; Y62-I86 HydrophobicContact CE2-CD1 4.5Å; Y62-I86 HydrophobicContact CE2-CG2 4.41Å; Y62-I86 WeakPolarHBondContact OH-CG2 3.34Å; L70-I86 HydrophobicContact CD1-CD1 3.86Å; F77-I86 HydrophobicContact CE2-CD1 3.91Å; F77-I86 HydrophobicContact CZ-CD1 4.48Å
87	T	88.8	Confident	89	Confident	39 Å²	39	45.5 Å²	45.5	24%	0.239	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	155.5	161.9	-167.6	0	0	0	0	109	Y49 T50 R82 H89	Y49-T87 WeakPolarHBondContact CA-O 3.5Å; T50-T87 PolarHBondContact N-O 2.89Å; T50-T87 PolarHBondContact O-N 3.34Å; T50-T87 WeakPolarHBondContact OG1-CG2 3.25Å; R82-T87 VanDerWaalsContact NH2-N 3.13Å; T87-H89 VanDerWaalsContact CG2-NE2 3.33Å; T87-H89 WeakPolarHBondContact CG2-NE2 3.46Å
88	Y	91.8	Very high	89.1	Confident	99 Å²	99	45.6 Å²	45.6	39%	0.388	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	144.2	171.7	173.2	-102	0	0	0	109.8	P47 V48 Y49 Q93	P47-Y88 HydrophobicContact CB-CE2 4.09Å; V48-Y88 CarbonylContact O-C 3.24Å; V48-Y88 WeakPolarHBondContact O-CA 3.48Å; V48-Y88 WeakPolarHBondContact O-CD2 3.36Å; Y49-Y88 HydrophobicContact CD1-CD2 4.09Å; Y49-Y88 AromaticContact CE1-CD2 3.78Å; Y49-Y88 HydrophobicContact CE1-CD2 3.78Å; Y49-Y88 HydrophobicContact CE1-CG 4.21Å; Y49-Y88 HydrophobicContact CE2-CD2 4.27Å; Y49-Y88 HydrophobicContact CG-CD2 4.47Å; Y49-Y88 AromaticContact CZ-CD2 3.87Å; Y88-Q93 PolarHBondContact O-OE1 3.23Å
89	H	94	Very high	89.3	Confident	27 Å²	27	45.6 Å²	45.6	13%	0.125	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	147.4	162.7	-53.2	-65.5	0	0	0	110.5	H45 P47 V48 T87 Q93	H45-H89 HydrophobicContact CB-CB 3.96Å; P47-H89 CarbonylContact C-O 3.59Å; P47-H89 WeakPolarHBondContact CA-O 3.48Å; V48-H89 HydrophobicContact CG1-CB 3.79Å; V48-H89 PolarHBondContact N-O 2.87Å; V48-H89 PolarHBondContact O-N 2.97Å; T87-H89 VanDerWaalsContact CG2-NE2 3.33Å; T87-H89 WeakPolarHBondContact CG2-NE2 3.46Å; H89-Q93 PolarHBondContact ND1-OE1 2.96Å
90	G	93.9	Very high	89.4	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.01	27%	0.27	C	S	.	.			trans	-173.1	-179.7	-178.9	0	0	0	0	0	112.9	H45 Q93	H45-G90 CarbonylContact O-C 3.56Å; H45-G90 VanDerWaalsContact O-C 3.26Å; H45-G90 VanDerWaalsContact O-CA 3.24Å; H45-G90 WeakPolarHBondContact O-CA 3.23Å; G90-Q93 WeakPolarHBondContact O-CB 3.48Å; G90-Q93 PolarHBondContact O-N 3.35Å; G90-Q93 VanDerWaalsContact O-N 3.1Å
91	P	94.2	Very high	89.5	Confident	86 Å²	86	45.9 Å²	45.9	56%	0.558	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	139.1	177.1	-25.4	35.1	0	0	0	112.2	H45 P47 Q93	H45-P91 WeakPolarHBondContact O-CD 3.18Å; P47-P91 HydrophobicContact CG-CG 4.48Å; P91-Q93 VanDerWaalsContact C-N 3.3Å
92	G	94.3	Very high	90	Very high	75 Å²	75	44.1 Å²	44.1	77%	0.773	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	-8	-174	0	0	0	0	0	114.3	E44	E44-G92 PolarHBondContact OE2-N 3.46Å
93	Q	95.5	Very high	90.3	Very high	74 Å²	74	52.4 Å²	52.4	35%	0.346	31%	0.307	S	S	.	.			trans	-104.2	105.4	173	-170.6	-171.8	38.7	0	0	110.8	Y88 H89 G90 P91 V95	Y88-Q93 PolarHBondContact O-OE1 3.23Å; H89-Q93 PolarHBondContact ND1-OE1 2.96Å; G90-Q93 WeakPolarHBondContact O-CB 3.48Å; G90-Q93 PolarHBondContact O-N 3.35Å; G90-Q93 VanDerWaalsContact O-N 3.1Å; P91-Q93 VanDerWaalsContact C-N 3.3Å; Q93-V95 PolarHBondContact O-N 3.18Å
94	L	96.5	Very high	90.9	Very high	100 Å²	100	51.3 Å²	51.3	52%	0.524	30%	0.295	S	S	.	.			trans	-64.9	123.7	169.7	-176.7	66.6	0	0	0	110.3	Y9 L42	Y9-L94 HydrophobicContact CE2-CD1 4.45Å; L42-L94 HydrophobicContact CB-CD1 4.28Å
95	V	96.5	Very high	91.2	Very high	14 Å²	14	58.3 Å²	58.3	9%	0.085	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.5	173.1	-179.4	0	0	0	0	108.7	L42 L43 Q93 Y97	L42-V95 WeakPolarHBondContact CA-O 3.43Å; L43-V95 HydrophobicContact CD1-CB 3.96Å; L43-V95 HydrophobicContact CD1-CG1 4.38Å; L43-V95 HydrophobicContact CG-CB 4.47Å; L43-V95 PolarHBondContact N-O 3.26Å; L43-V95 PolarHBondContact O-N 3.28Å; Q93-V95 PolarHBondContact O-N 3.18Å; V95-Y97 HydrophobicContact CG1-CD1 4.18Å; V95-Y97 HydrophobicContact CG1-CD2 4.41Å; V95-Y97 HydrophobicContact CG1-CE1 3.6Å; V95-Y97 HydrophobicContact CG1-CE2 3.87Å; V95-Y97 VanDerWaalsContact CG1-CZ 3.44Å
96	A	96.6	Very high	91.3	Very high	52 Å²	52	59.6 Å²	59.6	43%	0.43	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.3	173.6	0	0	0	0	0	110.2	L41 L42 P98	L41-A96 CarbonylContact O-C 3.46Å; L41-A96 VanDerWaalsContact O-CA 3.3Å; L41-A96 WeakPolarHBondContact O-CA 3.3Å; L42-A96 HydrophobicContact CD2-CB 3.73Å; A96-P98 WeakPolarHBondContact O-CD 3.4Å
97	Y	95.7	Very high	91.2	Very high	23 Å²	23	58.4 Å²	58.4	9%	0.09	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	87	169.9	-59.6	-50.7	0	0	0	110	A18 Q22 L41 L43 H45 V95 I99	A18-Y97 HydrophobicContact CB-CE2 4.15Å; Q22-Y97 VanDerWaalsContact CD-CD2 3.48Å; Q22-Y97 HydrophobicContact CG-CD2 4Å; Q22-Y97 HydrophobicContact CG-CG 4.07Å; Q22-Y97 VanDerWaalsContact NE2-CD2 3.3Å; L41-Y97 PolarHBondContact N-O 3.32Å; L41-Y97 PolarHBondContact O-N 3.5Å; L43-Y97 HydrophobicContact CD1-CE2 4.32Å; L43-Y97 HydrophobicContact CD2-CD2 3.94Å; L43-Y97 HydrophobicContact CD2-CE2 3.89Å; L43-Y97 HydrophobicContact CG-CE2 4.39Å; H45-Y97 AromaticContact NE2-CE2 3.9Å; H45-Y97 AromaticContact NE2-CZ 3.74Å; H45-Y97 PolarHBondContact NE2-OH 3.17Å; V95-Y97 HydrophobicContact CG1-CD1 4.18Å; V95-Y97 HydrophobicContact CG1-CD2 4.41Å; V95-Y97 HydrophobicContact CG1-CE1 3.6Å; V95-Y97 HydrophobicContact CG1-CE2 3.87Å; V95-Y97 VanDerWaalsContact CG1-CZ 3.44Å; Y97-I99 PolarHBondContact O-N 2.82Å
98	P	94.9	Very high	91	Very high	33 Å²	33	64 Å²	64	21%	0.214	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	120.1	171.8	-0.5	17.1	0	0	0	109.7	C39 I40 A96 I100 Y115 L119	C39-P98 CarbonylContact O-C 3.5Å; I40-P98 HydrophobicContact CG1-CB 4.08Å; A96-P98 WeakPolarHBondContact O-CD 3.4Å; P98-I100 HydrophobicContact CB-CD1 3.8Å; P98-I100 HydrophobicContact CB-CG1 4.32Å; P98-Y115 VanDerWaalsContact CB-OH 3.27Å; P98-Y115 WeakPolarHBondContact CB-OH 3.5Å; P98-Y115 WeakPolarHBondContact CG-OH 3.24Å; P98-Y115 PolarHBondContact O-OH 3.12Å; P98-L119 HydrophobicContact CG-CD2 3.98Å
99	I	93.1	Very high	90.8	Very high	17 Å²	17	63.3 Å²	63.3	9%	0.087	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	91.8	177.8	-53.8	171.7	0	0	0	107.1	Q22 I25 V26 L29 C39 L41 Y97	Q22-I99 HydrophobicContact CB-CD1 4.33Å; Q22-I99 HydrophobicContact CG-CD1 4.26Å; I25-I99 HydrophobicContact CB-CD1 3.77Å; I25-I99 HydrophobicContact CD1-CD1 4.02Å; I25-I99 HydrophobicContact CG2-CB 4.46Å; I25-I99 HydrophobicContact CG2-CD1 3.65Å; I25-I99 HydrophobicContact CG2-CG2 4.21Å; V26-I99 HydrophobicContact CG2-CG2 3.53Å; L29-I99 HydrophobicContact CD1-CG2 3.77Å; C39-I99 HydrophobicContact CB-CB 4.36Å; C39-I99 PolarHBondContact N-O 3.06Å; C39-I99 VanDerWaalsContact N-O 3.08Å; C39-I99 PolarHBondContact O-N 2.94Å; L41-I99 HydrophobicContact CD1-CD1 4.39Å; Y97-I99 PolarHBondContact O-N 2.82Å
100	I	90.3	Very high	90.5	Very high	49 Å²	49	67.6 Å²	67.6	25%	0.251	39%	0.386	S	S	.	.			trans	-121.8	133.6	-170.4	-65.5	163.9	0	0	0	109.7	H38 P98 L102 L107 Y115	H38-I100 HydrophobicContact CB-CG1 3.95Å; P98-I100 HydrophobicContact CB-CD1 3.8Å; P98-I100 HydrophobicContact CB-CG1 4.32Å; I100-L102 HydrophobicContact CG2-CD2 3.98Å; I100-L102 PolarHBondContact O-N 2.92Å; I100-L107 HydrophobicContact CG2-CD1 3.75Å; I100-Y115 HydrophobicContact CD1-CE2 3.65Å
101	N	87	Confident	90.3	Very high	47 Å²	47	69.6 Å²	69.6	25%	0.251	41%	0.406	S	S	.	.			trans	-84.7	98	171.1	178.9	8	0	0	0	109.7	P35 H38 Q103 C104	P35-N101 HydrophobicContact CG-CB 4.38Å; H38-N101 PolarHBondContact ND1-N 2.83Å; N101-Q103 PolarHBondContact O-N 2.88Å; N101-Q103 WeakPolarHBondContact OD1-CA 3.47Å; N101-Q103 WeakPolarHBondContact OD1-CB 3.46Å; N101-Q103 PolarHBondContact OD1-N 3.11Å; N101-C104 HydrophobicContact CB-CB 4.44Å; N101-C104 WeakPolarHBondContact O-CB 3.47Å; N101-C104 PolarHBondContact O-N 2.88Å; N101-C104 PolarHBondContact O-SG 3.37Å; N101-C104 PolarHBondContact OD1-N 2.83Å
102	L	87.3	Confident	90	Very high	43 Å²	43	69.3 Å²	69.3	23%	0.225	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-14.9	177.5	-60.9	-179.6	0	0	0	113.8	I100 C104 L107 Y115	I100-L102 HydrophobicContact CG2-CD2 3.98Å; I100-L102 PolarHBondContact O-N 2.92Å; L102-C104 VanDerWaalsContact C-N 3.33Å; L102-L107 HydrophobicContact CD2-CD1 4.12Å; L102-Y115 HydrophobicContact CD1-CD1 4.2Å; L102-Y115 HydrophobicContact CD1-CG 4.06Å; L102-Y115 HydrophobicContact CD2-CD2 3.93Å; L102-Y115 HydrophobicContact CD2-CG 3.9Å
103	Q	84.7	Confident	89.8	Confident	181 Å²	181	76.8 Å²	76.8	85%	0.846	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	1.2	177.5	-62.5	-179	-23.9	0	0	112.8	N101	N101-Q103 PolarHBondContact O-N 2.88Å; N101-Q103 WeakPolarHBondContact OD1-CA 3.47Å; N101-Q103 WeakPolarHBondContact OD1-CB 3.46Å; N101-Q103 PolarHBondContact OD1-N 3.11Å
104	C	85	Confident	89.7	Confident	6 Å²	6	78.1 Å²	78.1	4%	0.041	41%	0.406	C	S	.	.	S	Bend	trans	-65.7	151.2	176.7	76.2	0	0	0	0	110.7	N101 L102 S106 L107 Q108	N101-C104 HydrophobicContact CB-CB 4.44Å; N101-C104 WeakPolarHBondContact O-CB 3.47Å; N101-C104 PolarHBondContact O-N 2.88Å; N101-C104 PolarHBondContact O-SG 3.37Å; N101-C104 PolarHBondContact OD1-N 2.83Å; L102-C104 VanDerWaalsContact C-N 3.33Å; C104-S106 PolarHBondContact O-N 2.96Å; C104-S106 VanDerWaalsContact O-N 3.09Å; C104-S106 PolarHBondContact SG-OG 3.1Å; C104-L107 CarbonylContact O-C 3.58Å; C104-L107 PolarHBondContact O-N 2.86Å; C104-Q108 PolarHBondContact O-N 2.84Å; C104-Q108 VanDerWaalsContact O-N 3.14Å
105	K	84.1	Confident	89.5	Confident	173 Å²	173	75 Å²	75	75%	0.752	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-52.5	-37.5	-176.1	-72.5	-176.3	176.9	179.3	0	113.6	L107 Q108	K105-L107 VanDerWaalsContact C-N 3.29Å; K105-L107 PolarHBondContact O-N 3.3Å; K105-Q108 WeakPolarHBondContact O-CB 3.44Å; K105-Q108 PolarHBondContact O-N 2.74Å
106	S	84.9	Confident	89.4	Confident	62 Å²	62	75.7 Å²	75.7	43%	0.434	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-72.1	-19.4	-179.3	48.3	0	0	0	0	114.5	V3 C104	V3-S106 WeakPolarHBondContact CG2-OG 3.08Å; C104-S106 PolarHBondContact O-N 2.96Å; C104-S106 VanDerWaalsContact O-N 3.09Å; C104-S106 PolarHBondContact SG-OG 3.1Å
107	L	86	Confident	89.3	Confident	26 Å²	26	74.6 Å²	74.6	14%	0.136	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-110.9	10.4	177.7	-61.5	178.2	0	0	0	111.7	I100 L102 C104 K105 G109 R110 W114	I100-L107 HydrophobicContact CG2-CD1 3.75Å; L102-L107 HydrophobicContact CD2-CD1 4.12Å; C104-L107 CarbonylContact O-C 3.58Å; C104-L107 PolarHBondContact O-N 2.86Å; K105-L107 VanDerWaalsContact C-N 3.29Å; K105-L107 PolarHBondContact O-N 3.3Å; L107-G109 PolarHBondContact O-N 3.08Å; L107-R110 WeakPolarHBondContact O-CA 3.01Å; L107-R110 WeakPolarHBondContact O-CB 3.41Å; L107-R110 PolarHBondContact O-N 3.41Å; L107-W114 HydrophobicContact CD2-CH2 4.08Å; L107-W114 HydrophobicContact CD2-CZ3 4.08Å
108	Q	84.5	Confident	89.2	Confident	155 Å²	155	74.9 Å²	74.9	72%	0.724	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	133.8	-179.1	-167.4	172.7	3.3	0	0	111	C104 K105 R110	C104-Q108 PolarHBondContact O-N 2.84Å; C104-Q108 VanDerWaalsContact O-N 3.14Å; K105-Q108 WeakPolarHBondContact O-CB 3.44Å; K105-Q108 PolarHBondContact O-N 2.74Å; Q108-R110 PolarHBondContact O-N 3.16Å
109	G	87.8	Confident	89.3	Confident	85 Å²	85	75.2 Å²	75.2	88%	0.876	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	-11.7	-173.8	0	0	0	0	0	114.6	L107 G111	L107-G109 PolarHBondContact O-N 3.08Å; G109-G111 PolarHBondContact O-N 3.28Å
110	R	87.4	Confident	89.5	Confident	118 Å²	118	75.5 Å²	75.5	45%	0.445	39%	0.393	S	S	.	.			trans	-88.9	95.8	174.1	-56.2	-173.1	178.9	-155.8	1.3	109.7	L107 Q108 W114	L107-R110 WeakPolarHBondContact O-CA 3.01Å; L107-R110 WeakPolarHBondContact O-CB 3.41Å; L107-R110 PolarHBondContact O-N 3.41Å; Q108-R110 PolarHBondContact O-N 3.16Å; R110-W114 HydrophobicContact CB-CB 4.25Å; R110-W114 HydrophobicContact CB-CD2 3.7Å; R110-W114 HydrophobicContact CB-CE3 3.54Å; R110-W114 HydrophobicContact CB-CG 3.96Å; R110-W114 HydrophobicContact CB-CZ3 4.23Å; R110-W114 HydrophobicContact CG-CD2 4.03Å; R110-W114 HydrophobicContact CG-CE3 4.23Å; R110-W114 HydrophobicContact CG-CG 4.26Å
111	G	89.7	Confident	89.8	Confident	42 Å²	42	78 Å²	78	43%	0.433	40%	0.404	S	S	.	.			trans	-75.3	-178.5	178.4	0	0	0	0	0	113.9	G109 R113 W114 Y115	G109-G111 PolarHBondContact O-N 3.28Å; G111-R113 VanDerWaalsContact C-N 3.28Å; G111-R113 PolarHBondContact O-N 3.26Å; G111-W114 WeakPolarHBondContact O-CB 3.27Å; G111-W114 PolarHBondContact O-N 3.27Å; G111-W114 VanDerWaalsContact O-N 3.08Å; G111-Y115 PolarHBondContact O-N 3.05Å; G111-Y115 VanDerWaalsContact O-N 3.16Å
112	L	88.6	Confident	90.3	Very high	80 Å²	80	78.5 Å²	78.5	42%	0.419	41%	0.414	S	S	.	.	H	α-helix	trans	-55.7	-38.6	-179.6	-179.3	63.4	0	0	0	113.5	W114 Y115 V116	L112-W114 VanDerWaalsContact C-N 3.33Å; L112-W114 PolarHBondContact O-N 3.08Å; L112-Y115 HydrophobicContact CD1-CD1 4.15Å; L112-Y115 WeakPolarHBondContact O-CB 3.45Å; L112-Y115 PolarHBondContact O-N 2.66Å; L112-V116 HydrophobicContact CD1-CG2 4.4Å; L112-V116 WeakPolarHBondContact O-CG2 3.44Å; L112-V116 PolarHBondContact O-N 3.4Å
113	R	89.8	Confident	90.8	Very high	232 Å²	232	76.7 Å²	76.7	88%	0.875	41%	0.407	S	S	*	.	H	α-helix	trans	-61.1	-42.1	177.8	-179	179.6	-80.3	178.5	-5.4	111.7	G111 Y115 G117	G111-R113 VanDerWaalsContact C-N 3.28Å; G111-R113 PolarHBondContact O-N 3.26Å; R113-Y115 VanDerWaalsContact C-N 3.32Å; R113-G117 PolarHBondContact O-N 2.63Å
114	W	93.3	Very high	91.4	Very high	103 Å²	103	70.4 Å²	70.4	39%	0.39	38%	0.378	S	S	.	.	H	α-helix	trans	-62.2	-44.3	175.1	172.6	84.7	0	0	0	110.7	L107 R110 G111 L112 V116 G117 A118	L107-W114 HydrophobicContact CD2-CH2 4.08Å; L107-W114 HydrophobicContact CD2-CZ3 4.08Å; R110-W114 HydrophobicContact CB-CB 4.25Å; R110-W114 HydrophobicContact CB-CD2 3.7Å; R110-W114 HydrophobicContact CB-CE3 3.54Å; R110-W114 HydrophobicContact CB-CG 3.96Å; R110-W114 HydrophobicContact CB-CZ3 4.23Å; R110-W114 HydrophobicContact CG-CD2 4.03Å; R110-W114 HydrophobicContact CG-CE3 4.23Å; R110-W114 HydrophobicContact CG-CG 4.26Å; G111-W114 WeakPolarHBondContact O-CB 3.27Å; G111-W114 PolarHBondContact O-N 3.27Å; G111-W114 VanDerWaalsContact O-N 3.08Å; L112-W114 VanDerWaalsContact C-N 3.33Å; L112-W114 PolarHBondContact O-N 3.08Å; W114-V116 PolarHBondContact O-N 3.06Å; W114-G117 PolarHBondContact O-N 2.75Å; W114-A118 HydrophobicContact CH2-CB 4.12Å; W114-A118 HydrophobicContact CZ2-CB 3.96Å; W114-A118 HydrophobicContact CZ3-CB 4.5Å; W114-A118 WeakPolarHBondContact O-CB 3.36Å; W114-A118 PolarHBondContact O-N 2.76Å
115	Y	93	Very high	92.1	Very high	35 Å²	35	75.7 Å²	75.7	14%	0.137	40%	0.401	C	S	.	.	H	α-helix	trans	-60.9	-45.9	-179.8	173.3	-116.8	0	0	0	112.4	P98 I100 L102 G111 L112 R113 G117 A118 L119	P98-Y115 VanDerWaalsContact CB-OH 3.27Å; P98-Y115 WeakPolarHBondContact CB-OH 3.5Å; P98-Y115 WeakPolarHBondContact CG-OH 3.24Å; P98-Y115 PolarHBondContact O-OH 3.12Å; I100-Y115 HydrophobicContact CD1-CE2 3.65Å; L102-Y115 HydrophobicContact CD1-CD1 4.2Å; L102-Y115 HydrophobicContact CD1-CG 4.06Å; L102-Y115 HydrophobicContact CD2-CD2 3.93Å; L102-Y115 HydrophobicContact CD2-CG 3.9Å; G111-Y115 PolarHBondContact O-N 3.05Å; G111-Y115 VanDerWaalsContact O-N 3.16Å; L112-Y115 HydrophobicContact CD1-CD1 4.15Å; L112-Y115 WeakPolarHBondContact O-CB 3.45Å; L112-Y115 PolarHBondContact O-N 2.66Å; R113-Y115 VanDerWaalsContact C-N 3.32Å; Y115-G117 PolarHBondContact O-N 3.08Å; Y115-A118 WeakPolarHBondContact O-CB 3.5Å; Y115-A118 PolarHBondContact O-N 2.83Å; Y115-L119 HydrophobicContact CD1-CD1 4.44Å; Y115-L119 HydrophobicContact CE1-CD1 3.82Å; Y115-L119 HydrophobicContact CE2-CD1 4.17Å; Y115-L119 HydrophobicContact CE2-CD2 4.1Å; Y115-L119 HydrophobicContact CE2-CG 4.05Å; Y115-L119 WeakPolarHBondContact O-CG 3.2Å; Y115-L119 PolarHBondContact O-N 3.06Å
116	V	93.1	Very high	92.7	Very high	28 Å²	28	71.5 Å²	71.5	17%	0.17	39%	0.386	C	S	.	.	H	α-helix	trans	-59.9	-46.5	175	172.8	0	0	0	0	111	L112 W114 A118 L119 E120 T142	L112-V116 HydrophobicContact CD1-CG2 4.4Å; L112-V116 WeakPolarHBondContact O-CG2 3.44Å; L112-V116 PolarHBondContact O-N 3.4Å; W114-V116 PolarHBondContact O-N 3.06Å; V116-A118 VanDerWaalsContact C-N 3.28Å; V116-A118 PolarHBondContact O-N 2.9Å; V116-L119 WeakPolarHBondContact O-CB 3.41Å; V116-L119 PolarHBondContact O-N 3.31Å; V116-L119 VanDerWaalsContact O-N 3.11Å; V116-E120 WeakPolarHBondContact O-CG 3.21Å; V116-E120 PolarHBondContact O-N 2.82Å; V116-T142 HydrophobicContact CG1-CG2 3.48Å; V116-T142 VanDerWaalsContact CG1-CG2 3.48Å
117	G	94.8	Very high	93.3	Very high	29 Å²	29	69.6 Å²	69.6	30%	0.299	37%	0.372	S	S	.	.	H	α-helix	trans	-61.3	-35.4	176.9	0	0	0	0	0	113.2	R113 W114 Y115 E120 E121	R113-G117 PolarHBondContact O-N 2.63Å; W114-G117 PolarHBondContact O-N 2.75Å; Y115-G117 PolarHBondContact O-N 3.08Å; G117-E120 PolarHBondContact O-N 3.31Å; G117-E121 WeakPolarHBondContact O-CB 3.42Å; G117-E121 PolarHBondContact O-N 2.88Å
118	A	95	Very high	93.9	Very high	29 Å²	29	71.5 Å²	71.5	24%	0.24	39%	0.391	C	S	.	.	H	α-helix	trans	-67	-36.1	175.1	0	0	0	0	0	112.4	W114 Y115 V116 A122	W114-A118 HydrophobicContact CH2-CB 4.12Å; W114-A118 HydrophobicContact CZ2-CB 3.96Å; W114-A118 HydrophobicContact CZ3-CB 4.5Å; W114-A118 WeakPolarHBondContact O-CB 3.36Å; W114-A118 PolarHBondContact O-N 2.76Å; Y115-A118 WeakPolarHBondContact O-CB 3.5Å; Y115-A118 PolarHBondContact O-N 2.83Å; V116-A118 VanDerWaalsContact C-N 3.28Å; V116-A118 PolarHBondContact O-N 2.9Å; A118-A122 WeakPolarHBondContact O-CB 3.46Å; A118-A122 PolarHBondContact O-N 2.81Å
119	L	96	Very high	94.5	Very high	40 Å²	40	71.6 Å²	71.6	21%	0.209	39%	0.392	C	S	.	.	H	α-helix	trans	-67.9	-42.2	172.7	-66.3	178.8	0	0	0	111.6	P98 Y115 V116 A122 G123 M153 I155	P98-L119 HydrophobicContact CG-CD2 3.98Å; Y115-L119 HydrophobicContact CD1-CD1 4.44Å; Y115-L119 HydrophobicContact CE1-CD1 3.82Å; Y115-L119 HydrophobicContact CE2-CD1 4.17Å; Y115-L119 HydrophobicContact CE2-CD2 4.1Å; Y115-L119 HydrophobicContact CE2-CG 4.05Å; Y115-L119 WeakPolarHBondContact O-CG 3.2Å; Y115-L119 PolarHBondContact O-N 3.06Å; V116-L119 WeakPolarHBondContact O-CB 3.41Å; V116-L119 PolarHBondContact O-N 3.31Å; V116-L119 VanDerWaalsContact O-N 3.11Å; L119-A122 PolarHBondContact O-N 2.84Å; L119-G123 PolarHBondContact O-N 2.8Å; L119-M153 VanDerWaalsContact O-CE 3.28Å; L119-M153 WeakPolarHBondContact O-CE 3.33Å; L119-I155 HydrophobicContact CB-CD1 3.81Å; L119-I155 HydrophobicContact CB-CG1 4.49Å; L119-I155 HydrophobicContact CD1-CG2 3.98Å
120	E	97.1	Very high	94.9	Very high	23 Å²	23	75.1 Å²	75.1	11%	0.107	38%	0.384	C	S	.	.	H	α-helix	trans	-61.5	-45.9	175.5	-69	174	151.9	0	0	111	V116 G117 A122 G123 I124 A136 G143 V144 I155	V116-E120 WeakPolarHBondContact O-CG 3.21Å; V116-E120 PolarHBondContact O-N 2.82Å; G117-E120 PolarHBondContact O-N 3.31Å; E120-A122 VanDerWaalsContact C-N 3.32Å; E120-A122 PolarHBondContact O-N 2.85Å; E120-G123 PolarHBondContact O-N 2.95Å; E120-I124 WeakPolarHBondContact O-CD1 3.31Å; E120-I124 VanDerWaalsContact O-CG1 3.25Å; E120-I124 WeakPolarHBondContact O-CG1 3.26Å; E120-I124 PolarHBondContact O-N 3.37Å; E120-A136 HydrophobicContact CB-CB 4.05Å; E120-A136 HydrophobicContact CG-CB 4.41Å; E120-G143 PolarHBondContact OE1-N 3.33Å; E120-V144 HydrophobicContact CB-CG2 4.13Å; E120-V144 HydrophobicContact CG-CG2 4.36Å; E120-V144 WeakPolarHBondContact O-CG2 3.48Å; E120-I155 HydrophobicContact CB-CD1 4.43Å; E120-I155 HydrophobicContact CG-CD1 3.39Å
121	E	97.6	Very high	95.4	Very high	101 Å²	101	72.9 Å²	72.9	47%	0.472	40%	0.397	S	S	.	.	H	α-helix	trans	-60.2	-41.2	176	-171.2	-176	169.7	0	0	112	G117 I124 K125	G117-E121 WeakPolarHBondContact O-CB 3.42Å; G117-E121 PolarHBondContact O-N 2.88Å; E121-I124 PolarHBondContact O-N 3.02Å; E121-K125 HydrophobicContact CG-CD 4.37Å; E121-K125 WeakPolarHBondContact O-CB 3.44Å; E121-K125 WeakPolarHBondContact O-CG 3.44Å; E121-K125 PolarHBondContact O-N 2.8Å; E121-K125 WeakPolarHBondContact OE1-CE 3.44Å; E121-K125 IonicContact OE1-NZ 2.64Å; E121-K125 PolarHBondContact OE1-NZ 2.9Å
122	A	96.8	Very high	95.8	Very high	57 Å²	57	73.9 Å²	73.9	47%	0.471	39%	0.394	S	S	.	.	H	α-helix	trans	-61.9	-44.4	175.4	0	0	0	0	0	111.8	A118 L119 E120 K125 L126	A118-A122 WeakPolarHBondContact O-CB 3.46Å; A118-A122 PolarHBondContact O-N 2.81Å; L119-A122 PolarHBondContact O-N 2.84Å; E120-A122 VanDerWaalsContact C-N 3.32Å; E120-A122 PolarHBondContact O-N 2.85Å; A122-K125 PolarHBondContact O-N 3.16Å; A122-L126 WeakPolarHBondContact O-CB 3.01Å; A122-L126 PolarHBondContact O-N 2.95Å
123	G	97.3	Very high	96.2	Very high	6 Å²	6	75.9 Å²	75.9	6%	0.062	41%	0.41	C	S	.	.	H	α-helix	trans	-64.1	-42.4	176.2	0	0	0	0	0	112.9	L119 E120 K125 L126 C127	L119-G123 PolarHBondContact O-N 2.8Å; E120-G123 PolarHBondContact O-N 2.95Å; G123-K125 PolarHBondContact O-N 2.69Å; G123-L126 WeakPolarHBondContact O-CB 3.35Å; G123-L126 PolarHBondContact O-N 2.77Å; G123-C127 PolarHBondContact O-N 3.2Å; G123-C127 PolarHBondContact O-SG 3.23Å
124	I	98.2	Very high	96.6	Very high	48 Å²	48	65.6 Å²	65.6	25%	0.246	38%	0.375	C	S	.	.	H	α-helix	trans	-61.2	-46.1	176.3	-67.8	161.4	0	0	0	110.9	E120 E121 L126 C127 A128 A136 V144	E120-I124 WeakPolarHBondContact O-CD1 3.31Å; E120-I124 VanDerWaalsContact O-CG1 3.25Å; E120-I124 WeakPolarHBondContact O-CG1 3.26Å; E120-I124 PolarHBondContact O-N 3.37Å; E121-I124 PolarHBondContact O-N 3.02Å; I124-L126 VanDerWaalsContact C-N 3.3Å; I124-L126 PolarHBondContact O-N 2.73Å; I124-C127 PolarHBondContact O-N 2.69Å; I124-A128 PolarHBondContact O-N 3.19Å; I124-A136 HydrophobicContact CD1-CB 4.22Å; I124-V144 HydrophobicContact CG1-CG1 3.73Å; I124-V144 HydrophobicContact CG1-CG2 4.19Å
125	K	98.4	Very high	96.8	Very high	118 Å²	118	64.9 Å²	64.9	51%	0.513	38%	0.375	S	S	.	.	H	α-helix	trans	-61.5	-40.2	176.8	-75	175.5	-176.7	169	0	111.6	E121 A122 G123 A128 Q129	E121-K125 HydrophobicContact CG-CD 4.37Å; E121-K125 WeakPolarHBondContact O-CB 3.44Å; E121-K125 WeakPolarHBondContact O-CG 3.44Å; E121-K125 PolarHBondContact O-N 2.8Å; E121-K125 WeakPolarHBondContact OE1-CE 3.44Å; E121-K125 IonicContact OE1-NZ 2.64Å; E121-K125 PolarHBondContact OE1-NZ 2.9Å; A122-K125 PolarHBondContact O-N 3.16Å; G123-K125 PolarHBondContact O-N 2.69Å; K125-A128 PolarHBondContact O-N 3.47Å; K125-Q129 WeakPolarHBondContact O-CG 3.41Å; K125-Q129 PolarHBondContact O-N 3.14Å; K125-Q129 VanDerWaalsContact O-N 3.16Å
126	L	97	Very high	97	Very high	85 Å²	85	65 Å²	65	45%	0.445	38%	0.383	S	S	.	.	H	α-helix	trans	-61.5	-49.1	174.7	-178.1	64.2	0	0	0	111	A122 G123 I124 A128 Q129 F130	A122-L126 WeakPolarHBondContact O-CB 3.01Å; A122-L126 PolarHBondContact O-N 2.95Å; G123-L126 WeakPolarHBondContact O-CB 3.35Å; G123-L126 PolarHBondContact O-N 2.77Å; I124-L126 VanDerWaalsContact C-N 3.3Å; I124-L126 PolarHBondContact O-N 2.73Å; L126-A128 VanDerWaalsContact C-N 3.29Å; L126-A128 PolarHBondContact O-N 3.41Å; L126-Q129 WeakPolarHBondContact O-CB 3.49Å; L126-Q129 PolarHBondContact O-N 3.22Å; L126-Q129 VanDerWaalsContact O-N 3.12Å; L126-F130 HydrophobicContact CD1-CD2 4.41Å; L126-F130 HydrophobicContact CD1-CE2 3.83Å; L126-F130 HydrophobicContact CG-CE2 4.36Å; L126-F130 WeakPolarHBondContact O-CD2 3.4Å
127	C	97.8	Very high	97	Very high	22 Å²	22	64.5 Å²	64.5	15%	0.149	38%	0.384	C	S	.	.	H	α-helix	trans	-56.6	-43	176.5	-67.6	0	0	0	0	112.1	G123 I124 Q129 F130 G131 V132 A134	G123-C127 PolarHBondContact O-N 3.2Å; G123-C127 PolarHBondContact O-SG 3.23Å; I124-C127 PolarHBondContact O-N 2.69Å; C127-Q129 VanDerWaalsContact C-N 3.28Å; C127-Q129 PolarHBondContact O-N 3.46Å; C127-F130 CarbonylContact O-C 3.54Å; C127-F130 WeakPolarHBondContact O-CA 3.36Å; C127-F130 PolarHBondContact O-N 2.85Å; C127-G131 PolarHBondContact O-N 2.89Å; C127-V132 CarbonylContact C-O 3.49Å; C127-V132 HydrophobicContact CB-CB 4.05Å; C127-V132 HydrophobicContact CB-CG1 4.27Å; C127-V132 WeakPolarHBondContact CB-O 3.32Å; C127-V132 PolarHBondContact O-N 2.74Å; C127-A134 HydrophobicContact CB-CB 3.75Å
128	A	98.2	Very high	96.6	Very high	65 Å²	65	70.4 Å²	70.4	54%	0.537	40%	0.401	S	S	.	.	H	α-helix	trans	-61.4	-34.8	178.5	0	0	0	0	0	112.8	I124 K125 L126 F130 G131 V132	I124-A128 PolarHBondContact O-N 3.19Å; K125-A128 PolarHBondContact O-N 3.47Å; L126-A128 VanDerWaalsContact C-N 3.29Å; L126-A128 PolarHBondContact O-N 3.41Å; A128-F130 PolarHBondContact O-N 3.03Å; A128-G131 PolarHBondContact O-N 2.98Å; A128-V132 PolarHBondContact N-O 3.32Å
129	Q	97.9	Very high	95.9	Very high	157 Å²	157	76.9 Å²	76.9	73%	0.734	43%	0.431	S	S	*	.	H	α-helix	trans	-63	-24.8	174.4	-70.7	179	-11.1	0	0	113	K125 L126 C127	K125-Q129 WeakPolarHBondContact O-CG 3.41Å; K125-Q129 PolarHBondContact O-N 3.14Å; K125-Q129 VanDerWaalsContact O-N 3.16Å; L126-Q129 WeakPolarHBondContact O-CB 3.49Å; L126-Q129 PolarHBondContact O-N 3.22Å; L126-Q129 VanDerWaalsContact O-N 3.12Å; C127-Q129 VanDerWaalsContact C-N 3.28Å; C127-Q129 PolarHBondContact O-N 3.46Å
130	F	96.9	Very high	95.2	Very high	160 Å²	160	80.6 Å²	80.6	70%	0.702	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	10.1	174.3	-68.3	-80.9	0	0	0	113.2	L126 C127 A128 V132	L126-F130 HydrophobicContact CD1-CD2 4.41Å; L126-F130 HydrophobicContact CD1-CE2 3.83Å; L126-F130 HydrophobicContact CG-CE2 4.36Å; L126-F130 WeakPolarHBondContact O-CD2 3.4Å; C127-F130 CarbonylContact O-C 3.54Å; C127-F130 WeakPolarHBondContact O-CA 3.36Å; C127-F130 PolarHBondContact O-N 2.85Å; A128-F130 PolarHBondContact O-N 3.03Å; F130-V132 VanDerWaalsContact C-N 3.25Å; F130-V132 PolarHBondContact O-N 2.8Å
131	G	97.6	Very high	94.6	Very high	70 Å²	70	83.8 Å²	83.8	72%	0.722	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	14.9	-178.9	0	0	0	0	0	114.3	C127 A128	C127-G131 PolarHBondContact O-N 2.89Å; A128-G131 PolarHBondContact O-N 2.98Å
132	V	97.2	Very high	94.3	Very high	63 Å²	63	81.6 Å²	81.6	38%	0.382	47%	0.47	S	S	.	.			trans	-95.2	117	177	179.1	0	0	0	0	109.3	C127 A128 F130 A134	C127-V132 CarbonylContact C-O 3.49Å; C127-V132 HydrophobicContact CB-CB 4.05Å; C127-V132 HydrophobicContact CB-CG1 4.27Å; C127-V132 WeakPolarHBondContact CB-O 3.32Å; C127-V132 PolarHBondContact O-N 2.74Å; A128-V132 PolarHBondContact N-O 3.32Å; F130-V132 VanDerWaalsContact C-N 3.25Å; F130-V132 PolarHBondContact O-N 2.8Å; V132-A134 PolarHBondContact O-N 2.98Å
133	T	98	Very high	94.1	Very high	123 Å²	123	78.9 Å²	78.9	76%	0.755	45%	0.447	S	S	*	.			trans	-68.8	126.6	168.9	-58.5	0	0	0	0	109.2
134	A	98	Very high	94.1	Very high	16 Å²	16	78.6 Å²	78.6	13%	0.132	44%	0.444	C	S	.	.			trans	-141.8	159.7	179.3	0	0	0	0	0	111.7	C127 V132 V144 W145	C127-A134 HydrophobicContact CB-CB 3.75Å; V132-A134 PolarHBondContact O-N 2.98Å; A134-V144 HydrophobicContact CB-CG1 3.63Å; A134-W145 CarbonylContact C-O 3.58Å; A134-W145 WeakPolarHBondContact CA-O 3.28Å; A134-W145 WeakPolarHBondContact CB-O 3.22Å
135	F	97.6	Very high	94.1	Very high	87 Å²	87	77.4 Å²	77.4	38%	0.382	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	157.9	-178.7	52.8	-89.7	0	0	0	111.5	V144 W145 D147	F135-V144 WeakPolarHBondContact O-CA 3.4Å; F135-W145 WeakPolarHBondContact CD1-O 3.42Å; F135-W145 HydrophobicContact CD2-CB 4.08Å; F135-W145 HydrophobicContact CE1-CB 4.47Å; F135-W145 HydrophobicContact CE2-CB 3.65Å; F135-W145 HydrophobicContact CE2-CG 4.41Å; F135-W145 HydrophobicContact CZ-CB 3.88Å; F135-W145 PolarHBondContact N-O 3.47Å; F135-W145 PolarHBondContact O-N 3.31Å; F135-D147 VanDerWaalsContact CZ-C 3.44Å; F135-D147 WeakPolarHBondContact CZ-O 3.32Å
136	A	96.7	Very high	94	Very high	38 Å²	38	73.7 Å²	73.7	31%	0.314	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	142.2	173.7	0	0	0	0	0	110	E120 I124	E120-A136 HydrophobicContact CB-CB 4.05Å; E120-A136 HydrophobicContact CG-CB 4.41Å; I124-A136 HydrophobicContact CD1-CB 4.22Å
137	G	92	Very high	93.9	Very high	18 Å²	18	72.3 Å²	72.3	19%	0.186	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-61.1	154.8	176.3	0	0	0	0	0	112.6	E141 G143	G137-E141 WeakPolarHBondContact CA-O 3.26Å; G137-G143 PolarHBondContact N-O 2.8Å
138	K	87	Confident	93.5	Very high	153 Å²	153	76 Å²	76	67%	0.665	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-96.9	150.2	176	-65.4	-178.6	-178.4	177.9	0	110.5	S140 E141	K138-S140 PolarHBondContact O-N 3.38Å; K138-E141 VanDerWaalsContact O-CB 3.27Å; K138-E141 WeakPolarHBondContact O-CB 3.46Å; K138-E141 PolarHBondContact O-N 2.94Å
139	D	81.3	Confident	93.2	Very high	164 Å²	164	82.3 Å²	82.3	88%	0.877	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	-108.1	172.9	-54.6	-43.3	0	0	0	113.9
140	S	79.8	Confident	93	Very high	118 Å²	118	79.8 Å²	79.8	83%	0.825	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	0.8	-177.8	56.2	0	0	0	0	113.8	K138 T142	K138-S140 PolarHBondContact O-N 3.38Å; S140-T142 VanDerWaalsContact C-N 3.32Å; S140-T142 PolarHBondContact O-N 2.98Å
141	E	85.3	Confident	92.8	Very high	91 Å²	91	76.6 Å²	76.6	43%	0.425	43%	0.428	S	S	.	.			trans	-94	35.4	-173.2	-62.4	-161.5	124.6	0	0	113.7	G137 K138 G143 W145	G137-E141 WeakPolarHBondContact CA-O 3.26Å; K138-E141 VanDerWaalsContact O-CB 3.27Å; K138-E141 WeakPolarHBondContact O-CB 3.46Å; K138-E141 PolarHBondContact O-N 2.94Å; E141-G143 PolarHBondContact O-N 2.87Å; E141-W145 HydrophobicContact CB-CZ2 3.76Å; E141-W145 HydrophobicContact CG-CZ2 4.27Å; E141-W145 PolarHBondContact O-NE1 3.2Å
142	T	90.6	Very high	92.7	Very high	55 Å²	55	76.7 Å²	76.7	34%	0.337	42%	0.415	S	S	.	.			trans	-43.2	134	-179.1	-56.8	0	0	0	0	112.9	V116 S140 K151 I155	V116-T142 HydrophobicContact CG1-CG2 3.48Å; V116-T142 VanDerWaalsContact CG1-CG2 3.48Å; S140-T142 VanDerWaalsContact C-N 3.32Å; S140-T142 PolarHBondContact O-N 2.98Å; T142-K151 PolarHBondContact O-NZ 2.95Å; T142-I155 HydrophobicContact CG2-CB 4.12Å; T142-I155 HydrophobicContact CG2-CG2 4.42Å
143	G	93.7	Very high	92.6	Very high	0 Å²	0	76.5 Å²	76.5	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	130.4	-175.3	-173.3	0	0	0	0	0	112.7	E120 G137 E141 M153	E120-G143 PolarHBondContact OE1-N 3.33Å; G137-G143 PolarHBondContact N-O 2.8Å; E141-G143 PolarHBondContact O-N 2.87Å; G143-M153 CarbonylContact C-O 3.55Å; G143-M153 WeakPolarHBondContact CA-O 3.36Å
144	V	97.2	Very high	92.3	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136.7	178.6	-178.1	0	0	0	0	109.3	E120 I124 A134 F135 V152 M153	E120-V144 HydrophobicContact CB-CG2 4.13Å; E120-V144 HydrophobicContact CG-CG2 4.36Å; E120-V144 WeakPolarHBondContact O-CG2 3.48Å; I124-V144 HydrophobicContact CG1-CG1 3.73Å; I124-V144 HydrophobicContact CG1-CG2 4.19Å; A134-V144 HydrophobicContact CB-CG1 3.63Å; F135-V144 WeakPolarHBondContact O-CA 3.4Å; V144-V152 HydrophobicContact CB-CG2 3.94Å; V144-V152 HydrophobicContact CG1-CG2 3.64Å; V144-V152 VanDerWaalsContact O-CG2 3.23Å; V144-V152 WeakPolarHBondContact O-CG2 2.91Å; V144-V152 PolarHBondContact O-N 2.9Å; V144-M153 HydrophobicContact CB-CB 3.92Å; V144-M153 HydrophobicContact CB-CE 4.5Å; V144-M153 HydrophobicContact CG2-CB 4.28Å; V144-M153 HydrophobicContact CG2-CE 3.59Å; V144-M153 PolarHBondContact N-O 3.45Å; V144-M153 PolarHBondContact O-N 3.16Å; V144-M153 VanDerWaalsContact O-N 3.11Å
145	W	97.4	Very high	92	Very high	22 Å²	22	74.2 Å²	74.2	8%	0.083	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143.9	-172.3	-62.6	80.4	0	0	0	110.4	A134 F135 E141 H150 K151	A134-W145 CarbonylContact C-O 3.58Å; A134-W145 WeakPolarHBondContact CA-O 3.28Å; A134-W145 WeakPolarHBondContact CB-O 3.22Å; F135-W145 WeakPolarHBondContact CD1-O 3.42Å; F135-W145 HydrophobicContact CD2-CB 4.08Å; F135-W145 HydrophobicContact CE1-CB 4.47Å; F135-W145 HydrophobicContact CE2-CB 3.65Å; F135-W145 HydrophobicContact CE2-CG 4.41Å; F135-W145 HydrophobicContact CZ-CB 3.88Å; F135-W145 PolarHBondContact N-O 3.47Å; F135-W145 PolarHBondContact O-N 3.31Å; E141-W145 HydrophobicContact CB-CZ2 3.76Å; E141-W145 HydrophobicContact CG-CZ2 4.27Å; E141-W145 PolarHBondContact O-NE1 3.2Å; W145-H150 WeakPolarHBondContact CA-O 3.39Å; W145-K151 HydrophobicContact CD2-CB 3.9Å; W145-K151 HydrophobicContact CD2-CG 4.26Å; W145-K151 HydrophobicContact CE3-CB 3.74Å; W145-K151 HydrophobicContact CH2-CB 4.04Å; W145-K151 HydrophobicContact CZ2-CB 4.18Å; W145-K151 HydrophobicContact CZ2-CD 4.26Å; W145-K151 HydrophobicContact CZ2-CG 4.39Å; W145-K151 HydrophobicContact CZ3-CB 3.81Å
146	S	96.3	Very high	91.4	Very high	41 Å²	41	73.4 Å²	73.4	29%	0.287	40%	0.401	S	S	.	.	S	Bend	trans	-93.2	-28.2	174.4	55.2	0	0	0	0	112.4	H150	S146-H150 PolarHBondContact N-O 2.96Å; S146-H150 WeakPolarHBondContact OG-CB 3.47Å; S146-H150 PolarHBondContact OG-O 3.47Å
147	D	94.8	Very high	90.6	Very high	56 Å²	56	79 Å²	79	30%	0.299	41%	0.414	S	S	.	.	S	Bend	trans	-152.8	-171.6	169.3	66.3	30.9	0	0	0	109.8	F135 R149 H150	F135-D147 VanDerWaalsContact CZ-C 3.44Å; F135-D147 WeakPolarHBondContact CZ-O 3.32Å; D147-R149 PolarHBondContact O-N 3.46Å; D147-R149 WeakPolarHBondContact OD1-CA 3.38Å; D147-R149 PolarHBondContact OD1-N 3.35Å; D147-H150 IonicContact OD1-CE1 3.52Å; D147-H150 IonicContact OD1-CG 2.69Å; D147-H150 PolarHBondContact OD1-N 3.46Å; D147-H150 IonicContact OD1-ND1 3.53Å; D147-H150 PolarHBondContact OD1-ND1 3.24Å; D147-H150 IonicContact OD2-CE1 2.66Å; D147-H150 IonicContact OD2-CG 2.9Å; D147-H150 IonicContact OD2-ND1 3.87Å; D147-H150 PolarHBondContact OD2-ND1 3.35Å
148	S	90.6	Very high	90	Very high	100 Å²	100	80.1 Å²	80.1	70%	0.699	41%	0.413	S	S	*	.	S	Bend	trans	-66.7	-3.8	-177.7	57.1	0	0	0	0	115.2
149	R	91	Very high	89.3	Confident	197 Å²	197	74.6 Å²	74.6	74%	0.743	39%	0.393	S	S	*	.	S	Bend	trans	-126.9	-27.7	-175.3	-65.1	-172.8	-73.4	-177.9	-3.1	113.1	D147	D147-R149 PolarHBondContact O-N 3.46Å; D147-R149 WeakPolarHBondContact OD1-CA 3.38Å; D147-R149 PolarHBondContact OD1-N 3.35Å
150	H	93.4	Very high	88.8	Confident	104 Å²	104	71 Å²	71	48%	0.481	38%	0.378	S	S	.	.			trans	-107.2	97.5	-170.9	-58.1	104.7	0	0	0	111.9	W145 S146 D147	W145-H150 WeakPolarHBondContact CA-O 3.39Å; S146-H150 PolarHBondContact N-O 2.96Å; S146-H150 WeakPolarHBondContact OG-CB 3.47Å; S146-H150 PolarHBondContact OG-O 3.47Å; D147-H150 IonicContact OD1-CE1 3.52Å; D147-H150 IonicContact OD1-CG 2.69Å; D147-H150 PolarHBondContact OD1-N 3.46Å; D147-H150 IonicContact OD1-ND1 3.53Å; D147-H150 PolarHBondContact OD1-ND1 3.24Å; D147-H150 IonicContact OD2-CE1 2.66Å; D147-H150 IonicContact OD2-CG 2.9Å; D147-H150 IonicContact OD2-ND1 3.87Å; D147-H150 PolarHBondContact OD2-ND1 3.35Å
151	K	94.2	Very high	88.5	Confident	92 Å²	92	72.4 Å²	72.4	40%	0.4	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	123.9	170.1	-173.3	176.4	-64.2	-165.5	0	109.8	T142 W145 A154	T142-K151 PolarHBondContact O-NZ 2.95Å; W145-K151 HydrophobicContact CD2-CB 3.9Å; W145-K151 HydrophobicContact CD2-CG 4.26Å; W145-K151 HydrophobicContact CE3-CB 3.74Å; W145-K151 HydrophobicContact CH2-CB 4.04Å; W145-K151 HydrophobicContact CZ2-CB 4.18Å; W145-K151 HydrophobicContact CZ2-CD 4.26Å; W145-K151 HydrophobicContact CZ2-CG 4.39Å; W145-K151 HydrophobicContact CZ3-CB 3.81Å; K151-A154 HydrophobicContact CD-CB 4.16Å
152	V	95	Very high	87.9	Confident	72 Å²	72	70.6 Å²	70.6	44%	0.436	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-26	178.3	-64.2	0	0	0	0	112.5	V144	V144-V152 HydrophobicContact CB-CG2 3.94Å; V144-V152 HydrophobicContact CG1-CG2 3.64Å; V144-V152 VanDerWaalsContact O-CG2 3.23Å; V144-V152 WeakPolarHBondContact O-CG2 2.91Å; V144-V152 PolarHBondContact O-N 2.9Å
153	M	95	Very high	87.1	Confident	60 Å²	60	69.7 Å²	69.7	30%	0.296	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	121.8	176.3	-168.4	177.2	80.2	0	0	110.4	L119 G143 V144 I155	L119-M153 VanDerWaalsContact O-CE 3.28Å; L119-M153 WeakPolarHBondContact O-CE 3.33Å; G143-M153 CarbonylContact C-O 3.55Å; G143-M153 WeakPolarHBondContact CA-O 3.36Å; V144-M153 HydrophobicContact CB-CB 3.92Å; V144-M153 HydrophobicContact CB-CE 4.5Å; V144-M153 HydrophobicContact CG2-CB 4.28Å; V144-M153 HydrophobicContact CG2-CE 3.59Å; V144-M153 PolarHBondContact N-O 3.45Å; V144-M153 PolarHBondContact O-N 3.16Å; V144-M153 VanDerWaalsContact O-N 3.11Å; M153-I155 HydrophobicContact CE-CD1 3.55Å; M153-I155 HydrophobicContact CE-CG1 3.62Å
154	A	92.4	Very high	85.6	Confident	58 Å²	58	74.3 Å²	74.3	48%	0.479	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	136.7	167.4	0	0	0	0	0	109.8	K151	K151-A154 HydrophobicContact CD-CB 4.16Å
155	I	90.9	Very high	83.5	Confident	32 Å²	32	81.6 Å²	81.6	16%	0.164	42%	0.418	C	S	.	.			trans	-116.1	125.2	171.6	-62	166.8	0	0	0	107.2	L119 E120 T142 M153	L119-I155 HydrophobicContact CB-CD1 3.81Å; L119-I155 HydrophobicContact CB-CG1 4.49Å; L119-I155 HydrophobicContact CD1-CG2 3.98Å; E120-I155 HydrophobicContact CB-CD1 4.43Å; E120-I155 HydrophobicContact CG-CD1 3.39Å; T142-I155 HydrophobicContact CG2-CB 4.12Å; T142-I155 HydrophobicContact CG2-CG2 4.42Å; M153-I155 HydrophobicContact CE-CD1 3.55Å; M153-I155 HydrophobicContact CE-CG1 3.62Å
156	V	85.2	Confident	81.4	Confident	70 Å²	70	82.7 Å²	82.7	42%	0.424	43%	0.425	S	S	.	.			trans	-127.1	141.5	179.3	-172.3	0	0	0	0	109.1	R82	R82-V156 HydrophobicContact CB-CG1 3.98Å; R82-V156 HydrophobicContact CG-CG1 4.14Å
157	R	80.6	Confident	78.9	Confident	156 Å²	156	86.4 Å²	86.4	59%	0.589	45%	0.449	S	S	*	.			trans	-109	146.5	173.7	70.1	-179.2	-176.8	96.6	-0.7	111
158	Y	77.8	Confident	76.1	Confident	42 Å²	42	90.9 Å²	90.9	17%	0.165	46%	0.462	C	S	.	.			trans	-96.4	140.3	165.9	-69.4	-91.6	0	0	0	109.7	Y15 W19 R82	Y15-Y158 PolarHBondContact OH-OH 3.34Å; W19-Y158 HydrophobicContact CE3-CE1 4.21Å; W19-Y158 AromaticContact CH2-CD1 3.39Å; W19-Y158 HydrophobicContact CH2-CD1 3.39Å; W19-Y158 AromaticContact CH2-CE1 3.55Å; W19-Y158 HydrophobicContact CH2-CE1 3.55Å; W19-Y158 AromaticContact CH2-CG 3.9Å; W19-Y158 HydrophobicContact CH2-CG 3.9Å; W19-Y158 HydrophobicContact CZ2-CD1 4.38Å; W19-Y158 HydrophobicContact CZ2-CE1 4.4Å; W19-Y158 AromaticContact CZ3-CD1 3.62Å; W19-Y158 HydrophobicContact CZ3-CD1 3.62Å; W19-Y158 HydrophobicContact CZ3-CD2 4.08Å; W19-Y158 AromaticContact CZ3-CE1 3.43Å; W19-Y158 HydrophobicContact CZ3-CE1 3.43Å; W19-Y158 VanDerWaalsContact CZ3-CE1 3.43Å; W19-Y158 AromaticContact CZ3-CE2 3.95Å; W19-Y158 HydrophobicContact CZ3-CE2 3.95Å; W19-Y158 AromaticContact CZ3-CG 3.93Å; W19-Y158 HydrophobicContact CZ3-CG 3.93Å; W19-Y158 AromaticContact CZ3-CZ 3.62Å; R82-Y158 HydrophobicContact CB-CD1 3.92Å; R82-Y158 HydrophobicContact CB-CE1 3.49Å; R82-Y158 VanDerWaalsContact CB-CE1 3.49Å
159	P	72.7	Confident	73.8	Confident	37 Å²	37	90.3 Å²	90.3	24%	0.24	45%	0.451	C	S	.	.			trans	-62.8	141.5	169.9	22	-25	0	0	0	109.8	D81 E161 Q162	D81-P159 VanDerWaalsContact O-CD 3.31Å; D81-P159 WeakPolarHBondContact O-CD 3.48Å; P159-E161 PolarHBondContact O-N 2.84Å; P159-E161 VanDerWaalsContact O-N 3.08Å; P159-Q162 HydrophobicContact CG-CG 3.99Å; P159-Q162 WeakPolarHBondContact O-CB 3.5Å; P159-Q162 PolarHBondContact O-N 3.4Å
160	P	71	Confident	71.2	Confident	88 Å²	88	83.6 Å²	83.6	57%	0.571	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-61.3	-23.4	-173.8	22.6	-31.9	0	0	0	113.4	Q162 F163	P160-Q162 PolarHBondContact O-N 3.14Å; P160-F163 PolarHBondContact O-N 2.93Å
161	E	74.3	Confident	68.6	Low	148 Å²	148	82 Å²	82	69%	0.692	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-62.9	-28.4	-176.8	-43	-159.3	-135.8	0	0	112.6	P159 F163 N164	P159-E161 PolarHBondContact O-N 2.84Å; P159-E161 VanDerWaalsContact O-N 3.08Å; E161-F163 PolarHBondContact O-N 3.3Å; E161-F163 VanDerWaalsContact O-N 3.08Å; E161-N164 PolarHBondContact O-N 2.67Å; E161-N164 VanDerWaalsContact O-N 3.12Å
162	Q	71.4	Confident	65.7	Low	53 Å²	53	84.1 Å²	84.1	25%	0.248	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-59.9	-20.1	174.2	-69	-64.5	-44.5	0	0	113.5	W19 D81 P159 P160	W19-Q162 HydrophobicContact CH2-CB 4.36Å; W19-Q162 HydrophobicContact CZ2-CB 4.36Å; D81-Q162 HydrophobicContact CB-CG 4.04Å; D81-Q162 VanDerWaalsContact OD2-CD 3.23Å; D81-Q162 PolarHBondContact OD2-NE2 3.45Å; D81-Q162 PolarHBondContact OD2-OE1 3.04Å; P159-Q162 HydrophobicContact CG-CG 3.99Å; P159-Q162 WeakPolarHBondContact O-CB 3.5Å; P159-Q162 PolarHBondContact O-N 3.4Å; P160-Q162 PolarHBondContact O-N 3.14Å
163	F	73.8	Confident	62.8	Low	35 Å²	35	85.9 Å²	85.9	15%	0.154	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-109.8	11	-177.9	-56.9	-78.1	0	0	0	113.5	W19 K23 V26 K30 P160 E161 I166	W19-F163 HydrophobicContact CH2-CE1 4.08Å; W19-F163 HydrophobicContact CH2-CE2 4.45Å; W19-F163 AromaticContact CH2-CZ 3.73Å; W19-F163 HydrophobicContact CH2-CZ 3.73Å; W19-F163 HydrophobicContact CZ3-CE1 4.29Å; W19-F163 AromaticContact CZ3-CZ 3.91Å; W19-F163 HydrophobicContact CZ3-CZ 3.91Å; K23-F163 HydrophobicContact CG-CD1 4.02Å; K23-F163 HydrophobicContact CG-CE1 3.95Å; V26-F163 HydrophobicContact CB-CD1 3.93Å; V26-F163 HydrophobicContact CB-CE1 4.48Å; V26-F163 HydrophobicContact CB-CG 4.41Å; V26-F163 HydrophobicContact CG1-CB 3.76Å; V26-F163 HydrophobicContact CG1-CD1 4Å; V26-F163 HydrophobicContact CG1-CG 3.98Å; V26-F163 HydrophobicContact CG2-CD1 3.85Å; V26-F163 HydrophobicContact CG2-CE1 3.96Å; V26-F163 HydrophobicContact CG2-CG 4.37Å; K30-F163 PolarHBondContact NZ-O 3.37Å; P160-F163 PolarHBondContact O-N 2.93Å; E161-F163 PolarHBondContact O-N 3.3Å; E161-F163 VanDerWaalsContact O-N 3.08Å; F163-I166 HydrophobicContact CD1-CD1 4.4Å
164	N	61.8	Low	59.5	Low	97 Å²	97	92.2 Å²	92.2	52%	0.519	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-26.3	-176.4	-72.1	-16.2	0	0	0	113.8	K30 E161	K30-N164 PolarHBondContact NZ-OD1 3.32Å; E161-N164 PolarHBondContact O-N 2.67Å; E161-N164 VanDerWaalsContact O-N 3.12Å
165	N	54.8	Low	56.6	Low	153 Å²	153	101.2 Å²	101.2	82%	0.818	50%	0.504	S	S	*	.	S	Bend	trans	-130.2	71.9	-175	-71.7	-27.7	0	0	0	112.3
166	I	51.6	Low	54.9	Low	45 Å²	45	104.7 Å²	104.7	23%	0.231	52%	0.521	C	S	.	.			trans	-116.4	104.3	-177.1	-53.4	158	0	0	0	110.1	K23 F163 W168	K23-I166 HydrophobicContact CB-CD1 3.74Å; K23-I166 HydrophobicContact CD-CD1 3.73Å; K23-I166 HydrophobicContact CD-CG1 4.07Å; K23-I166 HydrophobicContact CD-CG2 4.26Å; K23-I166 HydrophobicContact CG-CD1 3.66Å; F163-I166 HydrophobicContact CD1-CD1 4.4Å; I166-W168 PolarHBondContact O-N 3.26Å
167	P	43.6	Very low	53.3	Low	119 Å²	119	106.5 Å²	106.5	77%	0.773	53%	0.526	S	S	*	.			trans	-63.9	123.8	158.8	-4.4	20.1	0	0	0	107.1	D169	P167-D169 PolarHBondContact O-N 2.79Å
168	W	36.6	Very low	51.8	Low	151 Å²	151	103.8 Å²	103.8	57%	0.572	52%	0.522	S	S	*	.			trans	-79.9	112.6	171.2	179.5	83.8	0	0	0	107	I166 S170 L173	I166-W168 PolarHBondContact O-N 3.26Å; W168-S170 VanDerWaalsContact CH2-CB 3.42Å; W168-S170 VanDerWaalsContact CZ3-CB 3.46Å; W168-L173 HydrophobicContact CZ2-CD1 4.44Å
169	D	42.9	Very low	50.3	Low	88 Å²	88	107.4 Å²	107.4	47%	0.471	54%	0.543	S	S	.	.			trans	-105.7	103.5	175.2	-178.5	2.4	0	0	0	109.2	P167 S171	P167-D169 PolarHBondContact O-N 2.79Å; D169-S171 PolarHBondContact O-N 3.35Å; D169-S171 VanDerWaalsContact OD1-CB 3.25Å; D169-S171 WeakPolarHBondContact OD1-CB 3.1Å; D169-S171 PolarHBondContact OD1-N 3.44Å; D169-S171 PolarHBondContact OD1-OG 3.44Å; D169-S171 PolarHBondContact OD2-OG 3.42Å; D169-S171 VanDerWaalsContact OD2-OG 3.06Å
170	S	35.9	Very low	48.9	Very low	55 Å²	55	111.8 Å²	111.8	39%	0.385	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-66.3	-14.7	178.1	43.8	0	0	0	0	114.7	W168 K172 L173	W168-S170 VanDerWaalsContact CH2-CB 3.42Å; W168-S170 VanDerWaalsContact CZ3-CB 3.46Å; S170-K172 PolarHBondContact O-N 2.69Å; S170-L173 PolarHBondContact O-N 3.05Å
171	S	38.4	Very low	47.4	Very low	70 Å²	70	113.4 Å²	113.4	49%	0.49	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-68.6	-16.9	-175.2	68.2	0	0	0	0	113.4	D169	D169-S171 PolarHBondContact O-N 3.35Å; D169-S171 VanDerWaalsContact OD1-CB 3.25Å; D169-S171 WeakPolarHBondContact OD1-CB 3.1Å; D169-S171 PolarHBondContact OD1-N 3.44Å; D169-S171 PolarHBondContact OD1-OG 3.44Å; D169-S171 PolarHBondContact OD2-OG 3.42Å; D169-S171 VanDerWaalsContact OD2-OG 3.06Å
172	K	34.6	Very low	45.5	Very low	138 Å²	138	110.9 Å²	110.9	60%	0.6	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-92.9	-1.9	-177.8	-62.2	-167.4	179.7	-175.4	0	115.5	S170	S170-K172 PolarHBondContact O-N 2.69Å
173	L	32.9	Very low	43.5	Very low	109 Å²	109	115.4 Å²	115.4	57%	0.571	58%	0.576	S	S	*	*	S	Bend	trans	-88.8	-5.5	-178.5	-78.7	164.8	0	0	0	114	W168 S170	W168-L173 HydrophobicContact CZ2-CD1 4.44Å; S170-L173 PolarHBondContact O-N 3.05Å
174	Y	25.3	Very low	40.9	Very low	193 Å²	193	122.1 Å²	122.1	76%	0.757	61%	0.611	S	S	*	*			trans	-123.7	77.6	-178	-60.2	-79.4	0	0	0	110.7
175	H	32.7	Very low	39	Very low	247 Å²	247	124.4 Å²	124.4	100%	1.144	62%	0.619	S	S	*	*			trans	-140	0	160.7	-71.3	-48.8	0	0	0	109.8

Retrieved 175 of 175 residues in 54.1 ms (Link to these results)

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