A0A077Z475_TRITR Loading...

tRNA (guanine(37)-N1)-methyltransferase

Involved in mitochondrial tRNA methylation. Specifically methylates the N1 position of guanosine-37 in various tRNAs. Methylation is not dependent on the nature of the nucleoside 5' of the target nucleoside. This is the first step in the biosynthesis of wybutosine (yW), a modified base adjacent to the anticodon of tRNAs and required for accurate decoding. Specifically methylates the N1 position of guanosine-37 in various cytoplasmic and mitochondrial tRNAs. Methylation is not dependent on the nature of the nucleoside 5' of the target nucleoside. This is the first step in the biosynthesis of wybutosine (yW), a modified base adjacent to the anticodon of tRNAs and required for accurate decoding.

AlphaFold DB , UniProt , Accession A0A077Z475, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 415 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.2	Very low	78.7	Confident	239 Å²	239	81.4 Å²	81.4	100%	1.177	46%	0.464	S	S	*	.				0	119.9	0	-72.8	178	-173.8	0	0	107.4	K3	M1-K3 PolarHBondContact O-N 2.87Å
2	C	43.2	Very low	79.8	Confident	75 Å²	75	81.2 Å²	81.2	51%	0.507	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-64.3	121.9	178	-150	0	0	0	0	107.9	P74	C2-P74 HydrophobicContact CB-CB 3.86Å
3	K	56.8	Low	80.4	Confident	189 Å²	189	83.9 Å²	83.9	82%	0.822	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-59.8	143.9	178.3	-73.7	-177.8	177.6	180	0	108.4	M1 V5	M1-K3 PolarHBondContact O-N 2.87Å; K3-V5 PolarHBondContact O-N 3.46Å
4	S	75.9	Confident	80.9	Confident	49 Å²	49	79.9 Å²	79.9	34%	0.343	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-50.8	137.4	168.6	55.4	0	0	0	0	110.1	S6 Q75	S4-S6 PolarHBondContact O-N 3.44Å; S4-S6 VanDerWaalsContact O-N 3.08Å; S4-S6 PolarHBondContact O-OG 3.01Å; S4-S6 VanDerWaalsContact O-OG 3.07Å; S4-Q75 VanDerWaalsContact CB-NE2 3.35Å
5	V	89.2	Confident	81.1	Confident	26 Å²	26	83.5 Å²	83.5	16%	0.158	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-59	117	168.2	-177	0	0	0	0	107.2	K3 V26 L52 L54 P74 L105 W110	K3-V5 PolarHBondContact O-N 3.46Å; V5-V26 HydrophobicContact CG1-CG1 4.49Å; V5-V26 HydrophobicContact CG1-CG2 4.28Å; V5-L52 HydrophobicContact CG2-CD1 4.29Å; V5-L54 HydrophobicContact CG1-CD1 3.96Å; V5-P74 HydrophobicContact CG2-CG 3.73Å; V5-L105 HydrophobicContact CG1-CD1 3.43Å; V5-L105 VanDerWaalsContact CG1-CD1 3.43Å; V5-W110 HydrophobicContact CG1-CH2 3.58Å; V5-W110 HydrophobicContact CG1-CZ3 3.82Å
6	S	92	Very high	81.4	Confident	60 Å²	60	86.6 Å²	86.6	42%	0.42	46%	0.456	S	S	.	.			trans	-143.5	157.4	-173.4	45.1	0	0	0	0	110.3	S4 W110	S4-S6 PolarHBondContact O-N 3.44Å; S4-S6 VanDerWaalsContact O-N 3.08Å; S4-S6 PolarHBondContact O-OG 3.01Å; S4-S6 VanDerWaalsContact O-OG 3.07Å; S6-W110 VanDerWaalsContact C-CH2 3.44Å; S6-W110 WeakPolarHBondContact O-CH2 3.47Å
7	P	94.4	Very high	81.9	Confident	13 Å²	13	82.3 Å²	82.3	8%	0.084	43%	0.433	C	S	.	.			trans	-57.5	156.6	174.1	-23.6	33.3	0	0	0	112.7	S9 F22 W110 D114 A118	P7-S9 PolarHBondContact O-N 2.81Å; P7-F22 HydrophobicContact CB-CD1 4.06Å; P7-F22 HydrophobicContact CB-CE1 4.45Å; P7-W110 HydrophobicContact CB-CD2 4.47Å; P7-W110 HydrophobicContact CG-CB 4.46Å; P7-W110 HydrophobicContact CG-CD2 3.77Å; P7-W110 HydrophobicContact CG-CE3 4.09Å; P7-W110 HydrophobicContact CG-CG 3.91Å; P7-D114 HydrophobicContact CG-CB 4.14Å; P7-A118 HydrophobicContact CB-CB 3.66Å; P7-A118 HydrophobicContact CG-CB 3.84Å
8	P	94.9	Very high	82.6	Confident	19 Å²	19	82.7 Å²	82.7	12%	0.123	44%	0.435	C	S	.	.			trans	-52.7	137.3	176.7	-25.9	33.4	0	0	0	113	T10 V11 R23	P8-T10 WeakPolarHBondContact CB-OG1 3.17Å; P8-T10 PolarHBondContact O-N 2.88Å; P8-T10 VanDerWaalsContact O-N 3.15Å; P8-V11 HydrophobicContact CB-CG1 4.4Å; P8-V11 VanDerWaalsContact O-CG2 3.23Å; P8-V11 WeakPolarHBondContact O-CG2 3.35Å; P8-V11 PolarHBondContact O-N 3.28Å; P8-R23 WeakPolarHBondContact CG-O 3.46Å
9	S	92.3	Very high	83.3	Confident	104 Å²	104	83.5 Å²	83.5	73%	0.727	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-65.8	-16	175	56.6	0	0	0	0	113.4	P7 V11 R12	P7-S9 PolarHBondContact O-N 2.81Å; S9-V11 PolarHBondContact O-N 3.3Å; S9-R12 WeakPolarHBondContact O-CB 3.21Å; S9-R12 PolarHBondContact O-N 2.73Å
10	T	94.2	Very high	83.9	Confident	120 Å²	120	81.8 Å²	81.8	74%	0.736	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-68.9	-17.1	177	49.7	0	0	0	0	113.5	P8 R12	P8-T10 WeakPolarHBondContact CB-OG1 3.17Å; P8-T10 PolarHBondContact O-N 2.88Å; P8-T10 VanDerWaalsContact O-N 3.15Å; T10-R12 PolarHBondContact O-N 3.47Å
11	V	94.1	Very high	84.5	Confident	1 Å²	1	79.3 Å²	79.3	1%	0.006	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-81.3	-1.4	174.6	-49.1	0	0	0	0	112.7	P8 S9 E13 M14 A21 F22 A118 V119	P8-V11 HydrophobicContact CB-CG1 4.4Å; P8-V11 VanDerWaalsContact O-CG2 3.23Å; P8-V11 WeakPolarHBondContact O-CG2 3.35Å; P8-V11 PolarHBondContact O-N 3.28Å; S9-V11 PolarHBondContact O-N 3.3Å; V11-E13 PolarHBondContact O-N 3.34Å; V11-M14 HydrophobicContact CB-CE 3.7Å; V11-M14 HydrophobicContact CG1-CE 3.75Å; V11-M14 WeakPolarHBondContact O-CB 3.25Å; V11-M14 PolarHBondContact O-N 3.14Å; V11-M14 VanDerWaalsContact O-N 3.12Å; V11-A21 HydrophobicContact CG1-CB 4.1Å; V11-A21 VanDerWaalsContact CG1-O 3.3Å; V11-A21 WeakPolarHBondContact CG1-O 3.14Å; V11-F22 HydrophobicContact CB-CE1 4.26Å; V11-F22 HydrophobicContact CB-CZ 4.24Å; V11-F22 HydrophobicContact CG1-CD1 4.25Å; V11-F22 HydrophobicContact CG1-CD2 4.45Å; V11-F22 HydrophobicContact CG1-CE1 4.2Å; V11-F22 HydrophobicContact CG1-CE2 4.42Å; V11-F22 HydrophobicContact CG1-CG 4.36Å; V11-F22 HydrophobicContact CG1-CZ 4.29Å; V11-F22 HydrophobicContact CG2-CD1 4.48Å; V11-F22 HydrophobicContact CG2-CE1 3.9Å; V11-F22 HydrophobicContact CG2-CZ 4.28Å; V11-A118 HydrophobicContact CG2-CB 3.65Å; V11-V119 HydrophobicContact CB-CG1 4.27Å; V11-V119 HydrophobicContact CG2-CG1 3.94Å; V11-V119 WeakPolarHBondContact O-CA 3.4Å
12	R	91.5	Very high	87.3	Confident	79 Å²	79	67.9 Å²	67.9	30%	0.298	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	136	178.8	-173.2	65.2	66.9	177	7.7	110.4	S9 T10 M14 K117 A118 L120 E122	S9-R12 WeakPolarHBondContact O-CB 3.21Å; S9-R12 PolarHBondContact O-N 2.73Å; T10-R12 PolarHBondContact O-N 3.47Å; R12-M14 PolarHBondContact O-N 3.3Å; R12-K117 PolarHBondContact NH1-O 3.48Å; R12-A118 WeakPolarHBondContact CA-O 3.39Å; R12-A118 WeakPolarHBondContact CD-O 3.39Å; R12-A118 PolarHBondContact NE-O 2.84Å; R12-A118 PolarHBondContact NH1-O 3.12Å; R12-L120 WeakPolarHBondContact CD-O 3.19Å; R12-L120 PolarHBondContact NH1-O 2.92Å; R12-E122 IonicContact CZ-OE1 2.88Å; R12-E122 IonicContact NH1-OE1 2.76Å; R12-E122 IonicContact NH2-OE1 3.99Å; R12-E122 PolarHBondContact NH2-OE1 3.28Å
13	E	87.8	Confident	89.9	Confident	117 Å²	117	72.2 Å²	72.2	55%	0.547	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	19.9	-177.1	-66.9	174.3	-158.6	0	0	114.6	V11 K15 V119 P121	V11-E13 PolarHBondContact O-N 3.34Å; E13-K15 PolarHBondContact O-N 3.3Å; E13-V119 VanDerWaalsContact CA-O 3.22Å; E13-V119 WeakPolarHBondContact CA-O 3.37Å; E13-V119 PolarHBondContact N-O 3.44Å; E13-P121 HydrophobicContact CG-CB 3.97Å
14	M	87.8	Confident	91.7	Very high	27 Å²	27	64.9 Å²	64.9	13%	0.133	35%	0.347	C	S	.	.			trans	-58.5	126.1	172.2	179.9	-173	-73.5	0	0	110.6	V11 R12 Q16 D18 A21 F22 V119 I160	V11-M14 HydrophobicContact CB-CE 3.7Å; V11-M14 HydrophobicContact CG1-CE 3.75Å; V11-M14 WeakPolarHBondContact O-CB 3.25Å; V11-M14 PolarHBondContact O-N 3.14Å; V11-M14 VanDerWaalsContact O-N 3.12Å; R12-M14 PolarHBondContact O-N 3.3Å; M14-Q16 WeakPolarHBondContact CG-O 3.5Å; M14-D18 HydrophobicContact CE-CB 4.17Å; M14-A21 HydrophobicContact CE-CB 3.6Å; M14-F22 HydrophobicContact CE-CE2 4Å; M14-F22 HydrophobicContact CE-CZ 4.44Å; M14-F22 HydrophobicContact SD-CE2 3.87Å; M14-F22 HydrophobicContact SD-CZ 4.18Å; M14-V119 HydrophobicContact CB-CB 4.42Å; M14-V119 HydrophobicContact CB-CG1 4.23Å; M14-I160 HydrophobicContact CB-CD1 4.03Å; M14-I160 HydrophobicContact CG-CD1 3.65Å; M14-I160 HydrophobicContact SD-CD1 3.58Å; M14-I160 VanDerWaalsContact SD-CD1 3.58Å
15	K	83.1	Confident	92.7	Very high	135 Å²	135	65.9 Å²	65.9	59%	0.587	35%	0.351	S	S	*	.			trans	-100.3	-29.3	-178.6	-61.3	-176.3	-179.4	178.5	0	113.7	E13	E13-K15 PolarHBondContact O-N 3.3Å
16	Q	86.4	Confident	92.8	Very high	133 Å²	133	66 Å²	66	62%	0.621	35%	0.352	S	S	*	.	S	Bend	trans	-116.1	132.7	174.9	-175.5	179.6	17.7	0	0	108.6	M14 D18 M149	M14-Q16 WeakPolarHBondContact CG-O 3.5Å; Q16-D18 PolarHBondContact O-N 2.92Å; Q16-M149 HydrophobicContact CB-SD 4.33Å; Q16-M149 HydrophobicContact CG-CE 4.37Å; Q16-M149 HydrophobicContact CG-SD 4.31Å
17	L	90.2	Very high	92.9	Very high	13 Å²	13	68 Å²	68	7%	0.068	35%	0.354	C	S	.	.			trans	-67.6	100.2	-176.8	-177.2	58.8	0	0	0	111.9	R19 F22 Y107 I160 E163 V164	L17-R19 HydrophobicContact CD2-CG 4.35Å; L17-R19 HydrophobicContact CG-CG 4.18Å; L17-F22 HydrophobicContact CD1-CE2 3.83Å; L17-F22 HydrophobicContact CD1-CZ 4.35Å; L17-Y107 HydrophobicContact CD1-CE2 3.9Å; L17-Y107 HydrophobicContact CD2-CE2 4.49Å; L17-I160 HydrophobicContact CB-CD1 4.41Å; L17-I160 HydrophobicContact CB-CG1 4.04Å; L17-I160 HydrophobicContact CD1-CD1 4.15Å; L17-I160 HydrophobicContact CD1-CG1 4.03Å; L17-E163 HydrophobicContact CD2-CB 3.66Å; L17-V164 HydrophobicContact CD1-CG2 3.85Å; L17-V164 HydrophobicContact CD2-CG2 3.99Å
18	D	93.7	Very high	92.9	Very high	89 Å²	89	67.3 Å²	67.3	48%	0.476	35%	0.35	S	S	.	.			trans	-96.6	100.3	164.9	179.1	8.4	0	0	0	110.2	M14 Q16 G20 A21 F22	M14-D18 HydrophobicContact CE-CB 4.17Å; Q16-D18 PolarHBondContact O-N 2.92Å; D18-G20 PolarHBondContact O-N 2.88Å; D18-G20 WeakPolarHBondContact OD1-CA 3.5Å; D18-G20 PolarHBondContact OD1-N 3.3Å; D18-A21 HydrophobicContact CB-CB 4.06Å; D18-A21 WeakPolarHBondContact O-CB 3.41Å; D18-A21 PolarHBondContact O-N 3.46Å; D18-A21 PolarHBondContact OD1-N 3Å; D18-A21 WeakPolarHBondContact OD2-CB 3.42Å; D18-F22 WeakPolarHBondContact O-CD2 3.19Å; D18-F22 WeakPolarHBondContact O-CE2 3.26Å
19	R	95.5	Very high	92.9	Very high	99 Å²	99	70 Å²	70	37%	0.374	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-61.2	-29.8	177.2	-63.7	169.9	-177	74.9	-1.7	112	L17 A21 F22 Y107 E163 D167	L17-R19 HydrophobicContact CD2-CG 4.35Å; L17-R19 HydrophobicContact CG-CG 4.18Å; R19-A21 VanDerWaalsContact C-N 3.35Å; R19-F22 PolarHBondContact O-N 3.3Å; R19-Y107 HydrophobicContact CB-CD1 4.36Å; R19-Y107 HydrophobicContact CB-CD2 4.28Å; R19-Y107 HydrophobicContact CB-CG 4Å; R19-Y107 HydrophobicContact CG-CD1 4.02Å; R19-Y107 HydrophobicContact CG-CD2 4.1Å; R19-Y107 HydrophobicContact CG-CE1 4.16Å; R19-Y107 HydrophobicContact CG-CE2 4.22Å; R19-Y107 HydrophobicContact CG-CG 3.99Å; R19-E163 IonicContact NH1-OE2 3.2Å; R19-E163 IonicContact NH2-OE2 3.76Å; R19-E163 PolarHBondContact NH2-OE2 3.35Å; R19-D167 IonicContact CZ-OD2 2.77Å; R19-D167 IonicContact NE-OD2 3.63Å; R19-D167 PolarHBondContact NE-OD2 3.01Å; R19-D167 VanDerWaalsContact NH2-CG 3.34Å; R19-D167 IonicContact NH2-OD1 3.13Å; R19-D167 PolarHBondContact NH2-OD1 3.33Å; R19-D167 IonicContact NH2-OD2 2.72Å; R19-D167 PolarHBondContact NH2-OD2 3.03Å
20	G	96.7	Very high	93	Very high	48 Å²	48	65.5 Å²	65.5	50%	0.495	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-66.3	-36.2	178.3	0	0	0	0	0	112.7	D18 F22 R23	D18-G20 PolarHBondContact O-N 2.88Å; D18-G20 WeakPolarHBondContact OD1-CA 3.5Å; D18-G20 PolarHBondContact OD1-N 3.3Å; G20-F22 PolarHBondContact O-N 3.44Å; G20-F22 VanDerWaalsContact O-N 3.14Å; G20-R23 WeakPolarHBondContact O-CB 3.38Å; G20-R23 PolarHBondContact O-N 2.72Å; G20-R23 VanDerWaalsContact O-N 3.14Å
21	A	96.7	Very high	93.1	Very high	30 Å²	30	59.8 Å²	59.8	25%	0.248	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-66.4	-12.1	180	0	0	0	0	0	114.5	V11 M14 D18 R19 R23	V11-A21 HydrophobicContact CG1-CB 4.1Å; V11-A21 VanDerWaalsContact CG1-O 3.3Å; V11-A21 WeakPolarHBondContact CG1-O 3.14Å; M14-A21 HydrophobicContact CE-CB 3.6Å; D18-A21 HydrophobicContact CB-CB 4.06Å; D18-A21 WeakPolarHBondContact O-CB 3.41Å; D18-A21 PolarHBondContact O-N 3.46Å; D18-A21 PolarHBondContact OD1-N 3Å; D18-A21 WeakPolarHBondContact OD2-CB 3.42Å; R19-A21 VanDerWaalsContact C-N 3.35Å; A21-R23 VanDerWaalsContact C-N 3.28Å
22	F	97.1	Very high	93.2	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-84.1	0.9	174.7	-69.8	-92.6	0	0	0	114	P7 V11 M14 L17 D18 R19 G20 Y107 W110 I115 V119	P7-F22 HydrophobicContact CB-CD1 4.06Å; P7-F22 HydrophobicContact CB-CE1 4.45Å; V11-F22 HydrophobicContact CB-CE1 4.26Å; V11-F22 HydrophobicContact CB-CZ 4.24Å; V11-F22 HydrophobicContact CG1-CD1 4.25Å; V11-F22 HydrophobicContact CG1-CD2 4.45Å; V11-F22 HydrophobicContact CG1-CE1 4.2Å; V11-F22 HydrophobicContact CG1-CE2 4.42Å; V11-F22 HydrophobicContact CG1-CG 4.36Å; V11-F22 HydrophobicContact CG1-CZ 4.29Å; V11-F22 HydrophobicContact CG2-CD1 4.48Å; V11-F22 HydrophobicContact CG2-CE1 3.9Å; V11-F22 HydrophobicContact CG2-CZ 4.28Å; M14-F22 HydrophobicContact CE-CE2 4Å; M14-F22 HydrophobicContact CE-CZ 4.44Å; M14-F22 HydrophobicContact SD-CE2 3.87Å; M14-F22 HydrophobicContact SD-CZ 4.18Å; L17-F22 HydrophobicContact CD1-CE2 3.83Å; L17-F22 HydrophobicContact CD1-CZ 4.35Å; D18-F22 WeakPolarHBondContact O-CD2 3.19Å; D18-F22 WeakPolarHBondContact O-CE2 3.26Å; R19-F22 PolarHBondContact O-N 3.3Å; G20-F22 PolarHBondContact O-N 3.44Å; G20-F22 VanDerWaalsContact O-N 3.14Å; F22-Y107 HydrophobicContact CB-CD2 4.36Å; F22-Y107 AromaticContact CD2-CD2 3.69Å; F22-Y107 HydrophobicContact CD2-CD2 3.69Å; F22-Y107 HydrophobicContact CD2-CE2 4.4Å; F22-Y107 HydrophobicContact CE2-CD2 4.09Å; F22-Y107 HydrophobicContact CE2-CE2 4.37Å; F22-Y107 AromaticContact CG-CD2 3.92Å; F22-Y107 HydrophobicContact CG-CD2 3.92Å; F22-W110 PolarHBondContact O-NE1 3.2Å; F22-W110 VanDerWaalsContact O-NE1 3.16Å; F22-I115 HydrophobicContact CD1-CG1 4.19Å; F22-I115 HydrophobicContact CE1-CB 4.17Å; F22-I115 HydrophobicContact CE1-CG1 3.84Å; F22-I115 HydrophobicContact CE1-CG2 3.73Å; F22-I115 HydrophobicContact CZ-CG1 4.46Å; F22-I115 HydrophobicContact CZ-CG2 3.69Å; F22-V119 HydrophobicContact CE1-CG1 4.15Å; F22-V119 HydrophobicContact CZ-CG1 3.7Å
23	R	97.5	Very high	93.4	Very high	166 Å²	166	59 Å²	59	63%	0.626	29%	0.29	S	S	*	.			trans	-68.8	133.2	175.8	-169.5	-179.3	-63.3	-160.3	1	110.6	P8 G20 A21 L105	P8-R23 WeakPolarHBondContact CG-O 3.46Å; G20-R23 WeakPolarHBondContact O-CB 3.38Å; G20-R23 PolarHBondContact O-N 2.72Å; G20-R23 VanDerWaalsContact O-N 3.14Å; A21-R23 VanDerWaalsContact C-N 3.28Å; R23-L105 CarbonylContact C-O 3.47Å; R23-L105 VanDerWaalsContact CA-O 3.32Å; R23-L105 WeakPolarHBondContact CA-O 3.47Å
24	T	95.7	Very high	93.6	Very high	35 Å²	35	59.3 Å²	59.3	22%	0.215	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	156.9	173.8	-167.6	0	0	0	0	110.7	V26 E104 L105 W110	T24-V26 HydrophobicContact CG2-CG1 4.03Å; T24-E104 WeakPolarHBondContact O-CA 3.49Å; T24-L105 HydrophobicContact CG2-CB 4.01Å; T24-L105 PolarHBondContact N-O 2.89Å; T24-L105 PolarHBondContact O-N 2.86Å; T24-L105 VanDerWaalsContact O-O 3.12Å; T24-W110 HydrophobicContact CG2-CH2 4.39Å; T24-W110 HydrophobicContact CG2-CZ2 3.72Å
25	T	95.5	Very high	93.7	Very high	70 Å²	70	59.1 Å²	59.1	43%	0.429	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.3	171.8	-55.1	0	0	0	0	108	L102	T25-L102 HydrophobicContact CG2-CB 3.75Å; T25-L102 HydrophobicContact CG2-CD1 4.36Å; T25-L102 HydrophobicContact CG2-CD2 4.24Å; T25-L102 HydrophobicContact CG2-CG 4.33Å
26	V	92.9	Very high	94	Very high	28 Å²	28	62 Å²	62	17%	0.17	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	142.4	-177.5	-69.6	0	0	0	0	110.4	V5 T24 I28 V103 L105	V5-V26 HydrophobicContact CG1-CG1 4.49Å; V5-V26 HydrophobicContact CG1-CG2 4.28Å; T24-V26 HydrophobicContact CG2-CG1 4.03Å; V26-I28 HydrophobicContact CB-CG1 4.48Å; V26-I28 HydrophobicContact CG2-CD1 3.74Å; V26-I28 HydrophobicContact CG2-CG1 3.77Å; V26-V103 PolarHBondContact N-O 3.21Å; V26-V103 PolarHBondContact O-N 2.89Å; V26-L105 HydrophobicContact CG2-CD1 3.48Å; V26-L105 VanDerWaalsContact CG2-CD1 3.48Å; V26-L105 HydrophobicContact CG2-CG 3.93Å
27	Q	93.4	Very high	94.1	Very high	101 Å²	101	61.7 Å²	61.7	47%	0.472	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	120.9	170.9	-171.1	177	19.5	0	0	108.9	D100 E101 L102	Q27-D100 HydrophobicContact CG-CB 4.16Å; Q27-D100 PolarHBondContact NE2-OD1 2.87Å; Q27-E101 WeakPolarHBondContact CA-O 3.47Å; Q27-L102 HydrophobicContact CB-CD2 4.14Å
28	I	93.5	Very high	94.2	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.6	-177	-58	-175.8	0	0	0	109	V26 L52 Y71 D100 E101 V103	V26-I28 HydrophobicContact CB-CG1 4.48Å; V26-I28 HydrophobicContact CG2-CD1 3.74Å; V26-I28 HydrophobicContact CG2-CG1 3.77Å; I28-L52 HydrophobicContact CD1-CD2 3.6Å; I28-L52 HydrophobicContact CG1-CD2 4.41Å; I28-L52 HydrophobicContact CG2-CD2 4.04Å; I28-Y71 HydrophobicContact CB-CD1 4.38Å; I28-Y71 HydrophobicContact CG2-CD1 3.63Å; I28-Y71 HydrophobicContact CG2-CE1 4.49Å; I28-Y71 HydrophobicContact CG2-CG 3.95Å; I28-D100 VanDerWaalsContact O-CA 3.3Å; I28-D100 WeakPolarHBondContact O-CA 3.44Å; I28-E101 PolarHBondContact N-O 3.15Å; I28-E101 PolarHBondContact O-N 3.5Å; I28-V103 HydrophobicContact CB-CG2 4.1Å; I28-V103 HydrophobicContact CD1-CB 3.59Å; I28-V103 HydrophobicContact CD1-CG1 3.98Å; I28-V103 HydrophobicContact CD1-CG2 3.77Å; I28-V103 HydrophobicContact CG1-CB 4.14Å; I28-V103 HydrophobicContact CG1-CG2 4.11Å
29	Y	94.9	Very high	94.1	Very high	75 Å²	75	64.4 Å²	64.4	29%	0.294	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	146	171.2	-69.8	-82.5	0	0	0	110.8	L72 F77 G99 D100	Y29-L72 PolarHBondContact O-N 2.78Å; Y29-F77 HydrophobicContact CD1-CD1 4.45Å; Y29-F77 AromaticContact CD1-CE1 3.59Å; Y29-F77 HydrophobicContact CD1-CE1 3.59Å; Y29-F77 AromaticContact CD1-CZ 3.96Å; Y29-F77 HydrophobicContact CD1-CZ 3.96Å; Y29-F77 AromaticContact CD2-CD1 3.62Å; Y29-F77 HydrophobicContact CD2-CD1 3.62Å; Y29-F77 AromaticContact CD2-CE1 3.55Å; Y29-F77 HydrophobicContact CD2-CE1 3.55Å; Y29-F77 HydrophobicContact CE1-CE1 4.07Å; Y29-F77 HydrophobicContact CE2-CD1 4.22Å; Y29-F77 HydrophobicContact CE2-CE1 4.02Å; Y29-F77 AromaticContact CG-CD1 3.76Å; Y29-F77 HydrophobicContact CG-CD1 3.76Å; Y29-F77 AromaticContact CG-CE1 3.31Å; Y29-F77 HydrophobicContact CG-CE1 3.31Å; Y29-F77 AromaticContact CG-CZ 3.89Å; Y29-F77 HydrophobicContact CG-CZ 3.89Å; Y29-G99 CarbonylContact C-O 3.56Å; Y29-G99 VanDerWaalsContact CA-O 3.3Å; Y29-G99 WeakPolarHBondContact CA-O 3.43Å; Y29-D100 HydrophobicContact CD1-CB 3.75Å; Y29-D100 HydrophobicContact CE1-CB 3.87Å; Y29-D100 HydrophobicContact CG-CB 4.3Å
30	F	95.9	Very high	94	Very high	10 Å²	10	60.1 Å²	60.1	4%	0.044	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	155.3	173.8	64.9	-96.5	0	0	0	111.4	E32 K69 I70 Y71 I98 G99 E101	F30-E32 HydrophobicContact CD2-CB 4.07Å; F30-E32 HydrophobicContact CE2-CB 4Å; F30-K69 HydrophobicContact CB-CG 4.09Å; F30-K69 HydrophobicContact CD2-CD 4.17Å; F30-K69 VanDerWaalsContact CD2-CE 3.44Å; F30-K69 HydrophobicContact CD2-CG 3.85Å; F30-K69 HydrophobicContact CE2-CD 4.45Å; F30-K69 HydrophobicContact CG-CD 4.3Å; F30-K69 HydrophobicContact CG-CG 4.07Å; F30-I70 CarbonylContact C-O 3.47Å; F30-I70 WeakPolarHBondContact CA-O 3.41Å; F30-I70 VanDerWaalsContact CB-O 3.32Å; F30-I70 WeakPolarHBondContact CB-O 3.33Å; F30-Y71 HydrophobicContact CB-CD1 3.95Å; F30-Y71 HydrophobicContact CB-CE1 4.35Å; F30-I98 WeakPolarHBondContact O-CA 3.33Å; F30-G99 PolarHBondContact N-O 3.39Å; F30-G99 PolarHBondContact O-N 3.48Å; F30-E101 HydrophobicContact CD1-CG 4.13Å; F30-E101 HydrophobicContact CE1-CB 4.16Å; F30-E101 HydrophobicContact CE1-CG 4.14Å
31	V	95.9	Very high	93.8	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	134.5	159.5	60.6	0	0	0	0	109	F33 L47 K69 I70 L72 L86 F96 R97 I98	V31-F33 HydrophobicContact CG2-CD1 4.11Å; V31-L47 HydrophobicContact CG1-CD1 3.96Å; V31-K69 CarbonylContact O-C 3.51Å; V31-K69 WeakPolarHBondContact O-CA 3.35Å; V31-I70 HydrophobicContact CG1-CB 3.83Å; V31-I70 HydrophobicContact CG1-CD1 4.37Å; V31-I70 HydrophobicContact CG1-CG1 4.37Å; V31-I70 PolarHBondContact N-O 2.83Å; V31-I70 PolarHBondContact O-N 3.03Å; V31-L72 HydrophobicContact CB-CD1 4.49Å; V31-L72 HydrophobicContact CG1-CD2 4.34Å; V31-L86 HydrophobicContact CB-CD1 4.45Å; V31-L86 HydrophobicContact CG2-CD1 3.45Å; V31-L86 VanDerWaalsContact CG2-CD1 3.45Å; V31-L86 HydrophobicContact CG2-CD2 4.13Å; V31-L86 HydrophobicContact CG2-CG 4.43Å; V31-F96 HydrophobicContact CG2-CB 4.3Å; V31-F96 HydrophobicContact CG2-CD2 4.46Å; V31-R97 CarbonylContact C-O 3.57Å; V31-R97 WeakPolarHBondContact CA-O 3.39Å; V31-I98 HydrophobicContact CG2-CG1 4.47Å
32	E	95.8	Very high	93.7	Very high	59 Å²	59	68.8 Å²	68.8	28%	0.276	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.6	172.5	-175.8	169	-147.8	0	0	109.8	F30 K68 F96 R97	F30-E32 HydrophobicContact CD2-CB 4.07Å; F30-E32 HydrophobicContact CE2-CB 4Å; E32-K68 CarbonylContact C-O 3.57Å; E32-K68 WeakPolarHBondContact CA-O 3.42Å; E32-F96 CarbonylContact O-C 3.57Å; E32-F96 WeakPolarHBondContact O-CA 3.38Å; E32-R97 PolarHBondContact N-O 3.39Å; E32-R97 PolarHBondContact O-N 3.19Å
33	F	95	Very high	93.6	Very high	5 Å²	5	68.8 Å²	68.8	2%	0.022	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	155.4	178.8	62.9	-89.4	0	0	0	112.1	V31 T35 I43 A67 K68 I70 L86 L91 E95 F96	V31-F33 HydrophobicContact CG2-CD1 4.11Å; F33-T35 HydrophobicContact CD2-CG2 3.74Å; F33-T35 HydrophobicContact CE2-CG2 3.69Å; F33-I43 HydrophobicContact CD2-CD1 4.38Å; F33-I43 HydrophobicContact CE1-CG2 3.9Å; F33-I43 HydrophobicContact CE2-CD1 3.9Å; F33-I43 HydrophobicContact CE2-CG2 4.25Å; F33-I43 HydrophobicContact CZ-CB 4.32Å; F33-I43 HydrophobicContact CZ-CD1 4.33Å; F33-I43 HydrophobicContact CZ-CG2 3.58Å; F33-A67 CarbonylContact O-C 3.44Å; F33-A67 WeakPolarHBondContact O-CA 3.33Å; F33-K68 HydrophobicContact CE1-CB 4.21Å; F33-K68 HydrophobicContact CE2-CB 4.26Å; F33-K68 HydrophobicContact CZ-CB 4.02Å; F33-K68 HydrophobicContact CZ-CD 4.34Å; F33-K68 PolarHBondContact N-O 3.07Å; F33-K68 PolarHBondContact O-N 3.49Å; F33-I70 HydrophobicContact CE1-CD1 3.68Å; F33-I70 HydrophobicContact CE1-CG1 4.35Å; F33-I70 HydrophobicContact CZ-CD1 4.16Å; F33-L86 HydrophobicContact CD1-CD2 4.48Å; F33-L91 HydrophobicContact CB-CD1 3.62Å; F33-L91 HydrophobicContact CD1-CD1 4.29Å; F33-L91 HydrophobicContact CD2-CD1 3.78Å; F33-L91 HydrophobicContact CG-CD1 3.65Å; F33-E95 WeakPolarHBondContact CA-O 3.34Å; F33-E95 WeakPolarHBondContact CB-O 3.41Å; F33-F96 HydrophobicContact CB-CB 3.69Å
34	K	92	Very high	93.4	Very high	123 Å²	123	62.9 Å²	62.9	54%	0.535	30%	0.298	S	S	.	.			trans	-123.8	125.6	171.4	-179.6	171	176.8	162.3	0	109	R65 A67 E95	K34-R65 VanDerWaalsContact CE-O 3.31Å; K34-R65 WeakPolarHBondContact CE-O 3.23Å; K34-R65 PolarHBondContact NZ-O 3.41Å; K34-A67 HydrophobicContact CB-CB 4.31Å; K34-E95 PolarHBondContact N-O 3.41Å
35	T	91	Very high	93.4	Very high	23 Å²	23	64.6 Å²	64.6	14%	0.141	32%	0.315	C	S	.	.			trans	-151	174.3	-174.8	-164.9	0	0	0	0	112.2	F33 L39 I40 I43 L91	F33-T35 HydrophobicContact CD2-CG2 3.74Å; F33-T35 HydrophobicContact CE2-CG2 3.69Å; T35-L39 HydrophobicContact CG2-CB 4.08Å; T35-L39 WeakPolarHBondContact OG1-CD1 3.48Å; T35-I40 HydrophobicContact CG2-CG1 3.8Å; T35-I43 HydrophobicContact CG2-CD1 4.06Å; T35-L91 HydrophobicContact CG2-CD2 4.23Å; T35-L91 WeakPolarHBondContact OG1-CD2 3.38Å
36	R	89.5	Confident	93.4	Very high	196 Å²	196	62.9 Å²	62.9	74%	0.74	31%	0.308	S	S	*	.			trans	-65.7	144.2	176	-59.3	179.6	-173.1	177.3	2.3	109.9	T38 L39	R36-T38 PolarHBondContact O-N 3.03Å; R36-L39 PolarHBondContact O-N 2.91Å
37	E	88.6	Confident	93.5	Very high	125 Å²	125	61.5 Å²	61.5	58%	0.584	30%	0.3	S	S	*	.	H	α-helix	trans	-53.8	-31.7	-179.7	-166.7	61.8	-146.8	0	0	112.7	L39 I40	E37-L39 VanDerWaalsContact C-N 3.3Å; E37-L39 PolarHBondContact O-N 3.35Å; E37-I40 PolarHBondContact O-N 3.22Å; E37-I40 VanDerWaalsContact OE2-CD1 3.24Å; E37-I40 WeakPolarHBondContact OE2-CD1 3.24Å
38	T	91.8	Very high	93.5	Very high	111 Å²	111	63.1 Å²	63.1	68%	0.681	31%	0.305	S	S	*	.	H	α-helix	trans	-64.7	-27.2	177.6	54.2	0	0	0	0	114.3	R36 P42	R36-T38 PolarHBondContact O-N 3.03Å; T38-P42 WeakPolarHBondContact O-CD 3.5Å
39	L	91.7	Very high	93.5	Very high	49 Å²	49	67 Å²	67	26%	0.257	33%	0.331	S	S	.	.	H	α-helix	trans	-92.4	-18.7	-178.1	-63.3	-178.2	0	0	0	113.1	T35 R36 E37 R41 P42 I43	T35-L39 HydrophobicContact CG2-CB 4.08Å; T35-L39 WeakPolarHBondContact OG1-CD1 3.48Å; R36-L39 PolarHBondContact O-N 2.91Å; E37-L39 VanDerWaalsContact C-N 3.3Å; E37-L39 PolarHBondContact O-N 3.35Å; L39-R41 PolarHBondContact O-N 3.01Å; L39-P42 WeakPolarHBondContact O-CD 3.28Å; L39-I43 HydrophobicContact CB-CD1 4.15Å; L39-I43 VanDerWaalsContact O-CD1 3.31Å; L39-I43 WeakPolarHBondContact O-CD1 3.45Å; L39-I43 WeakPolarHBondContact O-CG1 3.47Å; L39-I43 PolarHBondContact O-N 3.02Å; L39-I43 VanDerWaalsContact O-N 3.13Å
40	I	92.2	Very high	93.5	Very high	8 Å²	8	64.7 Å²	64.7	4%	0.041	32%	0.322	C	S	.	.	H	α-helix	trans	-59.4	-48.5	-177.3	-69.1	171.4	0	0	0	111.8	T35 E37 I43 L44 K68	T35-I40 HydrophobicContact CG2-CG1 3.8Å; E37-I40 PolarHBondContact O-N 3.22Å; E37-I40 VanDerWaalsContact OE2-CD1 3.24Å; E37-I40 WeakPolarHBondContact OE2-CD1 3.24Å; I40-I43 PolarHBondContact O-N 3.04Å; I40-L44 HydrophobicContact CG2-CD1 3.88Å; I40-L44 HydrophobicContact CG2-CG 4.3Å; I40-L44 WeakPolarHBondContact O-CB 3.27Å; I40-L44 WeakPolarHBondContact O-CG 3.47Å; I40-L44 PolarHBondContact O-N 3.15Å; I40-K68 HydrophobicContact CD1-CD 4.47Å; I40-K68 HydrophobicContact CG1-CD 4.46Å; I40-K68 HydrophobicContact CG2-CD 3.92Å
41	R	93	Very high	93.4	Very high	206 Å²	206	65 Å²	65	78%	0.777	33%	0.325	S	S	*	.	H	α-helix	trans	-63	-49.1	-177	-70.8	-178.5	-177.5	-176.9	0.6	112.3	L39 I43 L44 A45	L39-R41 PolarHBondContact O-N 3.01Å; R41-I43 PolarHBondContact O-N 3.46Å; R41-L44 PolarHBondContact O-N 3.25Å; R41-A45 WeakPolarHBondContact O-CB 3.49Å; R41-A45 PolarHBondContact O-N 3.46Å
42	P	94.5	Very high	93.3	Very high	54 Å²	54	65.4 Å²	65.4	35%	0.351	33%	0.326	S	S	.	.	H	α-helix	trans	-54.1	-47.1	172.2	-27.8	33	0	0	0	113.7	T38 L39 L44 A45 A46	T38-P42 WeakPolarHBondContact O-CD 3.5Å; L39-P42 WeakPolarHBondContact O-CD 3.28Å; P42-L44 PolarHBondContact O-N 3.4Å; P42-A45 PolarHBondContact O-N 3.37Å; P42-A46 WeakPolarHBondContact O-CB 3.43Å; P42-A46 PolarHBondContact O-N 3.44Å
43	I	95	Very high	93.2	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61	-47.3	179.7	-67.2	162.7	0	0	0	111	F33 T35 L39 I40 R41 A45 A46 L47 L86 N89 L91	F33-I43 HydrophobicContact CD2-CD1 4.38Å; F33-I43 HydrophobicContact CE1-CG2 3.9Å; F33-I43 HydrophobicContact CE2-CD1 3.9Å; F33-I43 HydrophobicContact CE2-CG2 4.25Å; F33-I43 HydrophobicContact CZ-CB 4.32Å; F33-I43 HydrophobicContact CZ-CD1 4.33Å; F33-I43 HydrophobicContact CZ-CG2 3.58Å; T35-I43 HydrophobicContact CG2-CD1 4.06Å; L39-I43 HydrophobicContact CB-CD1 4.15Å; L39-I43 VanDerWaalsContact O-CD1 3.31Å; L39-I43 WeakPolarHBondContact O-CD1 3.45Å; L39-I43 WeakPolarHBondContact O-CG1 3.47Å; L39-I43 PolarHBondContact O-N 3.02Å; L39-I43 VanDerWaalsContact O-N 3.13Å; I40-I43 PolarHBondContact O-N 3.04Å; R41-I43 PolarHBondContact O-N 3.46Å; I43-A45 VanDerWaalsContact C-N 3.32Å; I43-A45 PolarHBondContact O-N 3.08Å; I43-A46 PolarHBondContact O-N 3.35Å; I43-L47 HydrophobicContact CG2-CD1 3.69Å; I43-L47 HydrophobicContact CG2-CG 4.25Å; I43-L47 WeakPolarHBondContact O-CB 3.43Å; I43-L47 WeakPolarHBondContact O-CG 3.41Å; I43-L47 PolarHBondContact O-N 3Å; I43-L86 HydrophobicContact CG2-CD2 3.85Å; I43-N89 HydrophobicContact CG1-CB 3.65Å; I43-L91 HydrophobicContact CD1-CD1 3.86Å; I43-L91 HydrophobicContact CD1-CD2 4Å; I43-L91 HydrophobicContact CD1-CG 3.76Å
44	L	94.4	Very high	93.2	Very high	43 Å²	43	70.1 Å²	70.1	23%	0.225	35%	0.347	C	S	.	.	H	α-helix	trans	-63.6	-37.2	178.3	-70.8	-179	0	0	0	112.6	I40 R41 P42 K48 I60 I70	I40-L44 HydrophobicContact CG2-CD1 3.88Å; I40-L44 HydrophobicContact CG2-CG 4.3Å; I40-L44 WeakPolarHBondContact O-CB 3.27Å; I40-L44 WeakPolarHBondContact O-CG 3.47Å; I40-L44 PolarHBondContact O-N 3.15Å; R41-L44 PolarHBondContact O-N 3.25Å; P42-L44 PolarHBondContact O-N 3.4Å; L44-K48 PolarHBondContact O-N 3.41Å; L44-I60 HydrophobicContact CD2-CD1 3.83Å; L44-I60 HydrophobicContact CD2-CG1 4.48Å; L44-I70 HydrophobicContact CD2-CD1 3.41Å; L44-I70 VanDerWaalsContact CD2-CD1 3.41Å; L44-I70 HydrophobicContact CD2-CG1 4.46Å
45	A	95.4	Very high	93.3	Very high	71 Å²	71	66.7 Å²	66.7	59%	0.587	34%	0.337	S	S	*	.	H	α-helix	trans	-64.9	-43.7	176.1	0	0	0	0	0	111.4	R41 P42 I43 K48	R41-A45 WeakPolarHBondContact O-CB 3.49Å; R41-A45 PolarHBondContact O-N 3.46Å; P42-A45 PolarHBondContact O-N 3.37Å; I43-A45 VanDerWaalsContact C-N 3.32Å; I43-A45 PolarHBondContact O-N 3.08Å; A45-K48 VanDerWaalsContact O-CB 3.32Å; A45-K48 WeakPolarHBondContact O-CB 3.31Å; A45-K48 PolarHBondContact O-N 2.93Å
46	A	95	Very high	93.5	Very high	33 Å²	33	73.1 Å²	73.1	27%	0.273	36%	0.363	S	S	.	.	H	α-helix	trans	-70.9	-37	179.4	0	0	0	0	0	112.7	P42 I43 K48 P49 I85 N89	P42-A46 WeakPolarHBondContact O-CB 3.43Å; P42-A46 PolarHBondContact O-N 3.44Å; I43-A46 PolarHBondContact O-N 3.35Å; A46-K48 VanDerWaalsContact C-N 3.34Å; A46-P49 WeakPolarHBondContact O-CD 3.25Å; A46-I85 HydrophobicContact CB-CG2 3.5Å; A46-N89 WeakPolarHBondContact CB-ND2 3.35Å
47	L	95.1	Very high	93.8	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-78.2	-14.2	176.8	-70.5	176.9	0	0	0	113.8	V31 I43 P49 H50 I51 I70 V82 I85 L86	V31-L47 HydrophobicContact CG1-CD1 3.96Å; I43-L47 HydrophobicContact CG2-CD1 3.69Å; I43-L47 HydrophobicContact CG2-CG 4.25Å; I43-L47 WeakPolarHBondContact O-CB 3.43Å; I43-L47 WeakPolarHBondContact O-CG 3.41Å; I43-L47 PolarHBondContact O-N 3Å; L47-P49 VanDerWaalsContact C-N 3.27Å; L47-P49 WeakPolarHBondContact O-CD 3.26Å; L47-H50 WeakPolarHBondContact O-CA 3.47Å; L47-H50 WeakPolarHBondContact O-CB 3.45Å; L47-H50 PolarHBondContact O-N 3.19Å; L47-I51 HydrophobicContact CB-CD1 4.5Å; L47-I51 HydrophobicContact CB-CG1 4.38Å; L47-I51 WeakPolarHBondContact O-CG1 3.45Å; L47-I51 PolarHBondContact O-N 3.23Å; L47-I70 HydrophobicContact CD1-CD1 3.87Å; L47-V82 HydrophobicContact CD2-CG1 4Å; L47-I85 HydrophobicContact CD2-CB 4.35Å; L47-I85 HydrophobicContact CD2-CG2 3.77Å; L47-I85 HydrophobicContact CG-CG2 4.09Å; L47-L86 HydrophobicContact CD1-CD2 3.99Å
48	K	94.5	Very high	94	Very high	134 Å²	134	65.7 Å²	65.7	58%	0.583	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.6	-38.5	-174.6	-175.3	-178.4	177.9	-175.6	0	115.7	L44 A45 A46 H50	L44-K48 PolarHBondContact O-N 3.41Å; A45-K48 VanDerWaalsContact O-CB 3.32Å; A45-K48 WeakPolarHBondContact O-CB 3.31Å; A45-K48 PolarHBondContact O-N 2.93Å; A46-K48 VanDerWaalsContact C-N 3.34Å; K48-H50 VanDerWaalsContact C-N 3.32Å
49	P	92.5	Very high	94.2	Very high	82 Å²	82	61.2 Å²	61.2	53%	0.532	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-23.2	176.4	-17.9	33.5	0	0	0	114.2	A46 L47	A46-P49 WeakPolarHBondContact O-CD 3.25Å; L47-P49 VanDerWaalsContact C-N 3.27Å; L47-P49 WeakPolarHBondContact O-CD 3.26Å
50	H	94.1	Very high	94.3	Very high	27 Å²	27	61.6 Å²	61.6	13%	0.125	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-7.8	-176.6	-55.7	-76.5	0	0	0	113.1	L47 K48 L72 D73 H76 V82 I85	L47-H50 WeakPolarHBondContact O-CA 3.47Å; L47-H50 WeakPolarHBondContact O-CB 3.45Å; L47-H50 PolarHBondContact O-N 3.19Å; K48-H50 VanDerWaalsContact C-N 3.32Å; H50-L72 HydrophobicContact CB-CD2 4.21Å; H50-L72 CarbonylContact O-C 3.56Å; H50-L72 WeakPolarHBondContact O-CA 3.25Å; H50-D73 PolarHBondContact O-N 3.04Å; H50-H76 PolarHBondContact CE1-O 3.04Å; H50-H76 PolarHBondContact ND1-O 3.4Å; H50-V82 HydrophobicContact CB-CG2 4.47Å; H50-I85 VanDerWaalsContact NE2-CD1 3.26Å; H50-I85 WeakPolarHBondContact NE2-CD1 3.14Å
51	I	94.6	Very high	94.4	Very high	17 Å²	17	64.9 Å²	64.9	9%	0.087	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-77.7	126.4	-177.1	-62.7	177.3	0	0	0	109.8	L47 K53 I60 I70 Y71	L47-I51 HydrophobicContact CB-CD1 4.5Å; L47-I51 HydrophobicContact CB-CG1 4.38Å; L47-I51 WeakPolarHBondContact O-CG1 3.45Å; L47-I51 PolarHBondContact O-N 3.23Å; I51-K53 PolarHBondContact O-N 3.32Å; I51-I60 HydrophobicContact CD1-CD1 4.16Å; I51-I70 HydrophobicContact CB-CG2 4.48Å; I51-I70 HydrophobicContact CD1-CG2 4.01Å; I51-I70 HydrophobicContact CG1-CG2 3.67Å; I51-I70 HydrophobicContact CG2-CG2 4.3Å; I51-Y71 WeakPolarHBondContact CA-O 3.28Å
52	L	94.6	Very high	94.4	Very high	7 Å²	7	57.7 Å²	57.7	4%	0.037	30%	0.303	C	S	.	.			trans	-64	123.9	171.8	179.1	64.5	0	0	0	109.8	V5 I28 L54 L57 S59 Y71 D73	V5-L52 HydrophobicContact CG2-CD1 4.29Å; I28-L52 HydrophobicContact CD1-CD2 3.6Å; I28-L52 HydrophobicContact CG1-CD2 4.41Å; I28-L52 HydrophobicContact CG2-CD2 4.04Å; L52-L54 HydrophobicContact CD1-CD1 4.36Å; L52-L54 HydrophobicContact CD1-CG 4.15Å; L52-L54 HydrophobicContact CD2-CD1 4.15Å; L52-L54 HydrophobicContact CG-CD1 4.35Å; L52-L54 HydrophobicContact CG-CG 4.21Å; L52-L57 HydrophobicContact CD2-CD2 3.89Å; L52-L57 HydrophobicContact CG-CD2 4.37Å; L52-S59 WeakPolarHBondContact O-CB 3.49Å; L52-S59 PolarHBondContact O-OG 2.96Å; L52-Y71 PolarHBondContact N-O 3.36Å; L52-D73 HydrophobicContact CB-CB 4.4Å; L52-D73 HydrophobicContact CD1-CB 4.46Å
53	K	93.2	Very high	94.1	Very high	139 Å²	139	58.2 Å²	58.2	60%	0.604	30%	0.303	S	S	*	.			trans	-117	108.6	178.1	-67.8	171.4	-168.1	157	0	109.5	I51	I51-K53 PolarHBondContact O-N 3.32Å
54	L	94.9	Very high	93.7	Very high	25 Å²	25	66.7 Å²	66.7	13%	0.131	35%	0.349	C	S	.	.			trans	-126.4	143.4	171.9	-66.4	176.9	0	0	0	109.5	V5 L52 K56 L57 L105 W110	V5-L54 HydrophobicContact CG1-CD1 3.96Å; L52-L54 HydrophobicContact CD1-CD1 4.36Å; L52-L54 HydrophobicContact CD1-CG 4.15Å; L52-L54 HydrophobicContact CD2-CD1 4.15Å; L52-L54 HydrophobicContact CG-CD1 4.35Å; L52-L54 HydrophobicContact CG-CG 4.21Å; L54-K56 PolarHBondContact O-N 3.26Å; L54-L57 HydrophobicContact CB-CB 3.91Å; L54-L57 HydrophobicContact CB-CD2 4.1Å; L54-L57 HydrophobicContact CD1-CD2 4.05Å; L54-L57 HydrophobicContact CG-CD2 4.39Å; L54-L57 PolarHBondContact O-N 3.13Å; L54-L105 HydrophobicContact CD1-CD1 3.62Å; L54-L105 HydrophobicContact CD1-CD2 3.98Å; L54-L105 HydrophobicContact CD1-CG 4.47Å; L54-W110 HydrophobicContact CD1-CZ3 4.49Å; L54-W110 HydrophobicContact CD2-CE3 4.48Å; L54-W110 HydrophobicContact CD2-CZ3 4.27Å
55	P	94.5	Very high	93.3	Very high	51 Å²	51	73.9 Å²	73.9	33%	0.331	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	139.7	169.8	-29.6	34.6	0	0	0	112.2	L57 D108 N109 T111	P55-L57 PolarHBondContact O-N 3.09Å; P55-D108 WeakPolarHBondContact CB-O 3.42Å; P55-N109 WeakPolarHBondContact CD-O 3.42Å; P55-N109 VanDerWaalsContact O-CA 3.3Å; P55-N109 WeakPolarHBondContact O-CA 3.38Å; P55-N109 PolarHBondContact O-ND2 2.99Å; P55-T111 HydrophobicContact CG-CG2 3.75Å
56	K	94.4	Very high	92.9	Very high	157 Å²	157	74.2 Å²	74.2	68%	0.683	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	9.2	176.6	-65.8	172.2	167.9	-177.4	0	115.7	L54 D108	L54-K56 PolarHBondContact O-N 3.26Å; K56-D108 HydrophobicContact CD-CB 3.51Å; K56-D108 IonicContact NZ-OD1 3.59Å; K56-D108 PolarHBondContact NZ-OD1 3.13Å; K56-D108 IonicContact NZ-OD2 3.93Å; K56-D108 PolarHBondContact NZ-OD2 3.03Å
57	L	95.1	Very high	92.7	Very high	29 Å²	29	73.2 Å²	73.2	15%	0.152	36%	0.357	C	S	.	.			trans	-93.5	123.3	170.9	-179.5	66.3	0	0	0	109	L52 L54 P55 S59 Y71 V103 L105	L52-L57 HydrophobicContact CD2-CD2 3.89Å; L52-L57 HydrophobicContact CG-CD2 4.37Å; L54-L57 HydrophobicContact CB-CB 3.91Å; L54-L57 HydrophobicContact CB-CD2 4.1Å; L54-L57 HydrophobicContact CD1-CD2 4.05Å; L54-L57 HydrophobicContact CG-CD2 4.39Å; L54-L57 PolarHBondContact O-N 3.13Å; P55-L57 PolarHBondContact O-N 3.09Å; L57-S59 VanDerWaalsContact C-N 3.34Å; L57-S59 PolarHBondContact O-N 3.21Å; L57-Y71 HydrophobicContact CD1-CD2 4.4Å; L57-Y71 HydrophobicContact CD1-CE2 4.26Å; L57-Y71 HydrophobicContact CD2-CD2 4.29Å; L57-Y71 HydrophobicContact CG-CD2 4.43Å; L57-V103 HydrophobicContact CD1-CG1 4.26Å; L57-L105 HydrophobicContact CD1-CD2 4.36Å; L57-L105 HydrophobicContact CD2-CD2 4.43Å
58	K	94.6	Very high	92.7	Very high	137 Å²	137	74.6 Å²	74.6	60%	0.596	36%	0.363	S	S	*	.			trans	-76.7	87.5	170.8	-171.4	173.2	-176.9	-177.4	0	109.5	I60 K61	K58-I60 VanDerWaalsContact C-N 3.27Å; K58-I60 VanDerWaalsContact CE-O 3.29Å; K58-I60 WeakPolarHBondContact CE-O 3.35Å; K58-I60 VanDerWaalsContact CG-O 3.29Å; K58-I60 WeakPolarHBondContact CG-O 3.38Å; K58-I60 PolarHBondContact O-N 3.29Å; K58-K61 HydrophobicContact CB-CG 4.43Å; K58-K61 HydrophobicContact CD-CG 4.14Å; K58-K61 HydrophobicContact CG-CG 4.01Å
59	S	94.5	Very high	92.8	Very high	16 Å²	16	69.9 Å²	69.9	11%	0.112	34%	0.342	C	S	.	.			trans	-67.3	-26.1	-178	-51	0	0	0	0	114.1	L52 L57 I70 Y71	L52-S59 WeakPolarHBondContact O-CB 3.49Å; L52-S59 PolarHBondContact O-OG 2.96Å; L57-S59 VanDerWaalsContact C-N 3.34Å; L57-S59 PolarHBondContact O-N 3.21Å; S59-I70 CarbonylContact O-C 3.58Å; S59-I70 VanDerWaalsContact O-CA 3.31Å; S59-I70 WeakPolarHBondContact O-CA 3.48Å; S59-Y71 PolarHBondContact O-N 3.26Å
60	I	94.9	Very high	93	Very high	58 Å²	58	66 Å²	66	30%	0.297	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	110	175.2	-56.2	165.7	0	0	0	107.6	L44 I51 K58 K69 I70	L44-I60 HydrophobicContact CD2-CD1 3.83Å; L44-I60 HydrophobicContact CD2-CG1 4.48Å; I51-I60 HydrophobicContact CD1-CD1 4.16Å; K58-I60 VanDerWaalsContact C-N 3.27Å; K58-I60 VanDerWaalsContact CE-O 3.29Å; K58-I60 WeakPolarHBondContact CE-O 3.35Å; K58-I60 VanDerWaalsContact CG-O 3.29Å; K58-I60 WeakPolarHBondContact CG-O 3.38Å; K58-I60 PolarHBondContact O-N 3.29Å; I60-K69 CarbonylContact C-O 3.54Å; I60-K69 WeakPolarHBondContact CA-O 3.12Å; I60-I70 HydrophobicContact CG1-CG1 4.27Å; I60-I70 HydrophobicContact CG1-CG2 4.27Å; I60-I70 HydrophobicContact CG2-CG1 4.26Å
61	K	94.4	Very high	93.1	Very high	77 Å²	77	64.9 Å²	64.9	34%	0.335	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	150.8	174.7	-62.9	176	-179	174.5	0	109.1	K58 K68 K69 Y71	K58-K61 HydrophobicContact CB-CG 4.43Å; K58-K61 HydrophobicContact CD-CG 4.14Å; K58-K61 HydrophobicContact CG-CG 4.01Å; K61-K68 WeakPolarHBondContact O-CA 3.41Å; K61-K69 HydrophobicContact CB-CB 4.36Å; K61-K69 PolarHBondContact N-O 3.19Å; K61-K69 PolarHBondContact O-N 3.49Å; K61-Y71 HydrophobicContact CD-CE2 4.5Å; K61-Y71 PolarHBondContact NZ-OH 3.32Å
62	T	93.2	Very high	93.1	Very high	54 Å²	54	64 Å²	64	33%	0.331	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.7	169.5	-58.5	0	0	0	0	105.9	N66 A67 K68	T62-N66 WeakPolarHBondContact CG2-OD1 3.13Å; T62-A67 VanDerWaalsContact CA-O 3.26Å; T62-A67 WeakPolarHBondContact CA-O 3.47Å; T62-K68 PolarHBondContact OG1-NZ 3.09Å
63	D	88.3	Confident	93	Very high	65 Å²	65	65.1 Å²	65.1	35%	0.348	31%	0.313	S	S	.	.			trans	-87.3	177.5	-179.6	79.1	-7.9	0	0	0	111.5	R65 N66 A67	D63-R65 PolarHBondContact O-N 3.22Å; D63-R65 VanDerWaalsContact O-N 3.16Å; D63-R65 VanDerWaalsContact OD1-C 3.29Å; D63-R65 WeakPolarHBondContact OD1-CA 3.41Å; D63-R65 WeakPolarHBondContact OD1-CB 3.39Å; D63-R65 PolarHBondContact OD1-N 3.06Å; D63-N66 PolarHBondContact O-N 3.4Å; D63-N66 PolarHBondContact OD1-N 2.92Å; D63-A67 PolarHBondContact N-O 3.13Å; D63-A67 WeakPolarHBondContact OD1-CA 3.39Å; D63-A67 WeakPolarHBondContact OD1-CB 3.4Å; D63-A67 PolarHBondContact OD1-N 3.33Å
64	D	85.9	Confident	92.8	Very high	178 Å²	178	59 Å²	59	95%	0.952	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-16	179.6	-58	-33.6	0	0	0	113.2	N66	D64-N66 VanDerWaalsContact C-N 3.33Å
65	R	86	Confident	92.4	Very high	194 Å²	194	63.7 Å²	63.7	73%	0.732	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	6.7	177.6	-60.8	180	177.6	-173.5	0.4	112.3	K34 D63 A67	K34-R65 VanDerWaalsContact CE-O 3.31Å; K34-R65 WeakPolarHBondContact CE-O 3.23Å; K34-R65 PolarHBondContact NZ-O 3.41Å; D63-R65 PolarHBondContact O-N 3.22Å; D63-R65 VanDerWaalsContact O-N 3.16Å; D63-R65 VanDerWaalsContact OD1-C 3.29Å; D63-R65 WeakPolarHBondContact OD1-CA 3.41Å; D63-R65 WeakPolarHBondContact OD1-CB 3.39Å; D63-R65 PolarHBondContact OD1-N 3.06Å; R65-A67 PolarHBondContact O-N 3.15Å
66	N	86.7	Confident	92	Very high	79 Å²	79	66 Å²	66	42%	0.422	32%	0.315	S	S	.	.			trans	60.9	23.8	-174.3	-157.2	37.9	0	0	0	113.9	T62 D63 D64	T62-N66 WeakPolarHBondContact CG2-OD1 3.13Å; D63-N66 PolarHBondContact O-N 3.4Å; D63-N66 PolarHBondContact OD1-N 2.92Å; D64-N66 VanDerWaalsContact C-N 3.33Å
67	A	91.8	Very high	91.5	Very high	12 Å²	12	59.9 Å²	59.9	10%	0.099	29%	0.288	C	S	.	.			trans	-79.6	139.4	168.3	0	0	0	0	0	109.4	F33 K34 T62 D63 R65	F33-A67 CarbonylContact O-C 3.44Å; F33-A67 WeakPolarHBondContact O-CA 3.33Å; K34-A67 HydrophobicContact CB-CB 4.31Å; T62-A67 VanDerWaalsContact CA-O 3.26Å; T62-A67 WeakPolarHBondContact CA-O 3.47Å; D63-A67 PolarHBondContact N-O 3.13Å; D63-A67 WeakPolarHBondContact OD1-CA 3.39Å; D63-A67 WeakPolarHBondContact OD1-CB 3.4Å; D63-A67 PolarHBondContact OD1-N 3.33Å; R65-A67 PolarHBondContact O-N 3.15Å
68	K	94.8	Very high	91.1	Very high	29 Å²	29	64.6 Å²	64.6	13%	0.126	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	130	176.2	-69.5	-162.2	178.9	-70.1	0	110.2	E32 F33 I40 K61 T62	E32-K68 CarbonylContact C-O 3.57Å; E32-K68 WeakPolarHBondContact CA-O 3.42Å; F33-K68 HydrophobicContact CE1-CB 4.21Å; F33-K68 HydrophobicContact CE2-CB 4.26Å; F33-K68 HydrophobicContact CZ-CB 4.02Å; F33-K68 HydrophobicContact CZ-CD 4.34Å; F33-K68 PolarHBondContact N-O 3.07Å; F33-K68 PolarHBondContact O-N 3.49Å; I40-K68 HydrophobicContact CD1-CD 4.47Å; I40-K68 HydrophobicContact CG1-CD 4.46Å; I40-K68 HydrophobicContact CG2-CD 3.92Å; K61-K68 WeakPolarHBondContact O-CA 3.41Å; T62-K68 PolarHBondContact OG1-NZ 3.09Å
69	K	96	Very high	90.7	Very high	34 Å²	34	60.9 Å²	60.9	15%	0.148	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.9	171.1	-176	177.2	-169.2	169.1	0	109.6	F30 V31 I60 K61 E101	F30-K69 HydrophobicContact CB-CG 4.09Å; F30-K69 HydrophobicContact CD2-CD 4.17Å; F30-K69 VanDerWaalsContact CD2-CE 3.44Å; F30-K69 HydrophobicContact CD2-CG 3.85Å; F30-K69 HydrophobicContact CE2-CD 4.45Å; F30-K69 HydrophobicContact CG-CD 4.3Å; F30-K69 HydrophobicContact CG-CG 4.07Å; V31-K69 CarbonylContact O-C 3.51Å; V31-K69 WeakPolarHBondContact O-CA 3.35Å; I60-K69 CarbonylContact C-O 3.54Å; I60-K69 WeakPolarHBondContact CA-O 3.12Å; K61-K69 HydrophobicContact CB-CB 4.36Å; K61-K69 PolarHBondContact N-O 3.19Å; K61-K69 PolarHBondContact O-N 3.49Å; K69-E101 VanDerWaalsContact CE-OE1 3.3Å; K69-E101 WeakPolarHBondContact CE-OE1 3.26Å; K69-E101 IonicContact NZ-OE1 2.57Å; K69-E101 PolarHBondContact NZ-OE1 3.44Å; K69-E101 IonicContact NZ-OE2 3.51Å; K69-E101 PolarHBondContact NZ-OE2 2.93Å
70	I	96.5	Very high	90.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	118.7	-174.5	-54.1	-178.8	0	0	0	109	F30 V31 F33 L44 L47 I51 S59 I60	F30-I70 CarbonylContact C-O 3.47Å; F30-I70 WeakPolarHBondContact CA-O 3.41Å; F30-I70 VanDerWaalsContact CB-O 3.32Å; F30-I70 WeakPolarHBondContact CB-O 3.33Å; V31-I70 HydrophobicContact CG1-CB 3.83Å; V31-I70 HydrophobicContact CG1-CD1 4.37Å; V31-I70 HydrophobicContact CG1-CG1 4.37Å; V31-I70 PolarHBondContact N-O 2.83Å; V31-I70 PolarHBondContact O-N 3.03Å; F33-I70 HydrophobicContact CE1-CD1 3.68Å; F33-I70 HydrophobicContact CE1-CG1 4.35Å; F33-I70 HydrophobicContact CZ-CD1 4.16Å; L44-I70 HydrophobicContact CD2-CD1 3.41Å; L44-I70 VanDerWaalsContact CD2-CD1 3.41Å; L44-I70 HydrophobicContact CD2-CG1 4.46Å; L47-I70 HydrophobicContact CD1-CD1 3.87Å; I51-I70 HydrophobicContact CB-CG2 4.48Å; I51-I70 HydrophobicContact CD1-CG2 4.01Å; I51-I70 HydrophobicContact CG1-CG2 3.67Å; I51-I70 HydrophobicContact CG2-CG2 4.3Å; S59-I70 CarbonylContact O-C 3.58Å; S59-I70 VanDerWaalsContact O-CA 3.31Å; S59-I70 WeakPolarHBondContact O-CA 3.48Å; I60-I70 HydrophobicContact CG1-CG1 4.27Å; I60-I70 HydrophobicContact CG1-CG2 4.27Å; I60-I70 HydrophobicContact CG2-CG1 4.26Å
71	Y	96.3	Very high	90.2	Very high	4 Å²	4	63.9 Å²	63.9	2%	0.016	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	135.3	172.4	-68.2	-47.6	0	0	0	111.4	I28 F30 I51 L52 L57 S59 K61 E101 V103	I28-Y71 HydrophobicContact CB-CD1 4.38Å; I28-Y71 HydrophobicContact CG2-CD1 3.63Å; I28-Y71 HydrophobicContact CG2-CE1 4.49Å; I28-Y71 HydrophobicContact CG2-CG 3.95Å; F30-Y71 HydrophobicContact CB-CD1 3.95Å; F30-Y71 HydrophobicContact CB-CE1 4.35Å; I51-Y71 WeakPolarHBondContact CA-O 3.28Å; L52-Y71 PolarHBondContact N-O 3.36Å; L57-Y71 HydrophobicContact CD1-CD2 4.4Å; L57-Y71 HydrophobicContact CD1-CE2 4.26Å; L57-Y71 HydrophobicContact CD2-CD2 4.29Å; L57-Y71 HydrophobicContact CG-CD2 4.43Å; S59-Y71 PolarHBondContact O-N 3.26Å; K61-Y71 HydrophobicContact CD-CE2 4.5Å; K61-Y71 PolarHBondContact NZ-OH 3.32Å; Y71-E101 HydrophobicContact CE1-CG 4.17Å; Y71-E101 WeakPolarHBondContact CE1-OE1 3.36Å; Y71-E101 PolarHBondContact OH-OE1 2.95Å; Y71-V103 HydrophobicContact CE1-CG2 3.97Å
72	L	95.1	Very high	90.1	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-105.9	137	-174.6	-57.2	171	0	0	0	110.2	Y29 V31 H50 P74 F77 V82	Y29-L72 PolarHBondContact O-N 2.78Å; V31-L72 HydrophobicContact CB-CD1 4.49Å; V31-L72 HydrophobicContact CG1-CD2 4.34Å; H50-L72 HydrophobicContact CB-CD2 4.21Å; H50-L72 CarbonylContact O-C 3.56Å; H50-L72 WeakPolarHBondContact O-CA 3.25Å; L72-P74 WeakPolarHBondContact O-CD 3.37Å; L72-F77 HydrophobicContact CB-CB 4.41Å; L72-F77 HydrophobicContact CB-CD2 3.99Å; L72-F77 HydrophobicContact CB-CG 4.34Å; L72-F77 HydrophobicContact CD1-CD2 3.53Å; L72-F77 HydrophobicContact CD1-CE2 3.45Å; L72-F77 VanDerWaalsContact CD1-CE2 3.45Å; L72-F77 HydrophobicContact CD1-CZ 4.41Å; L72-F77 HydrophobicContact CG-CD2 4.34Å; L72-V82 HydrophobicContact CD1-CG1 4.17Å; L72-V82 HydrophobicContact CD1-CG2 4.29Å
73	D	92.9	Very high	90.2	Very high	30 Å²	30	60.7 Å²	60.7	16%	0.16	31%	0.306	C	S	.	.			trans	-70.2	118	178.7	-178.1	-14.1	0	0	0	109.8	H50 L52 Q75 H76 F77	H50-D73 PolarHBondContact O-N 3.04Å; L52-D73 HydrophobicContact CB-CB 4.4Å; L52-D73 HydrophobicContact CD1-CB 4.46Å; D73-Q75 PolarHBondContact O-N 3.11Å; D73-Q75 VanDerWaalsContact O-N 3.11Å; D73-Q75 PolarHBondContact OD1-N 3.1Å; D73-H76 HydrophobicContact CB-CB 4.3Å; D73-H76 CarbonylContact O-C 3.58Å; D73-H76 PolarHBondContact O-N 3.09Å; D73-H76 IonicContact OD2-CE1 2.81Å; D73-H76 IonicContact OD2-CG 2.87Å; D73-H76 IonicContact OD2-ND1 3.93Å; D73-H76 PolarHBondContact OD2-ND1 2.98Å; D73-F77 WeakPolarHBondContact O-CB 3.39Å; D73-F77 PolarHBondContact O-N 3.07Å
74	P	89.2	Confident	90.5	Very high	11 Å²	11	61.4 Å²	61.4	7%	0.071	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.3	-179.4	-26.2	36.9	0	0	0	115.2	C2 V5 L72	C2-P74 HydrophobicContact CB-CB 3.86Å; V5-P74 HydrophobicContact CG2-CG 3.73Å; L72-P74 WeakPolarHBondContact O-CD 3.37Å
75	Q	86.2	Confident	90.9	Very high	123 Å²	123	54.4 Å²	54.4	58%	0.575	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-28.3	176.1	-67.4	-167.6	-39.1	0	0	112.8	S4 D73	S4-Q75 VanDerWaalsContact CB-NE2 3.35Å; D73-Q75 PolarHBondContact O-N 3.11Å; D73-Q75 VanDerWaalsContact O-N 3.11Å; D73-Q75 PolarHBondContact OD1-N 3.1Å
76	H	85.7	Confident	91.3	Very high	100 Å²	100	45.1 Å²	45.1	46%	0.463	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	6.3	-175.1	-58.9	102.5	0	0	0	112.1	H50 D73	H50-H76 PolarHBondContact CE1-O 3.04Å; H50-H76 PolarHBondContact ND1-O 3.4Å; D73-H76 HydrophobicContact CB-CB 4.3Å; D73-H76 CarbonylContact O-C 3.58Å; D73-H76 PolarHBondContact O-N 3.09Å; D73-H76 IonicContact OD2-CE1 2.81Å; D73-H76 IonicContact OD2-CG 2.87Å; D73-H76 IonicContact OD2-ND1 3.93Å; D73-H76 PolarHBondContact OD2-ND1 2.98Å
77	F	84.2	Confident	91.7	Very high	28 Å²	28	46.2 Å²	46.2	12%	0.123	24%	0.235	C	C	.	.			trans	-92	126.9	-177.3	175.2	-115.7	0	0	0	112.2	Y29 L72 D73 V82 I98	Y29-F77 HydrophobicContact CD1-CD1 4.45Å; Y29-F77 AromaticContact CD1-CE1 3.59Å; Y29-F77 HydrophobicContact CD1-CE1 3.59Å; Y29-F77 AromaticContact CD1-CZ 3.96Å; Y29-F77 HydrophobicContact CD1-CZ 3.96Å; Y29-F77 AromaticContact CD2-CD1 3.62Å; Y29-F77 HydrophobicContact CD2-CD1 3.62Å; Y29-F77 AromaticContact CD2-CE1 3.55Å; Y29-F77 HydrophobicContact CD2-CE1 3.55Å; Y29-F77 HydrophobicContact CE1-CE1 4.07Å; Y29-F77 HydrophobicContact CE2-CD1 4.22Å; Y29-F77 HydrophobicContact CE2-CE1 4.02Å; Y29-F77 AromaticContact CG-CD1 3.76Å; Y29-F77 HydrophobicContact CG-CD1 3.76Å; Y29-F77 AromaticContact CG-CE1 3.31Å; Y29-F77 HydrophobicContact CG-CE1 3.31Å; Y29-F77 AromaticContact CG-CZ 3.89Å; Y29-F77 HydrophobicContact CG-CZ 3.89Å; L72-F77 HydrophobicContact CB-CB 4.41Å; L72-F77 HydrophobicContact CB-CD2 3.99Å; L72-F77 HydrophobicContact CB-CG 4.34Å; L72-F77 HydrophobicContact CD1-CD2 3.53Å; L72-F77 HydrophobicContact CD1-CE2 3.45Å; L72-F77 VanDerWaalsContact CD1-CE2 3.45Å; L72-F77 HydrophobicContact CD1-CZ 4.41Å; L72-F77 HydrophobicContact CG-CD2 4.34Å; D73-F77 WeakPolarHBondContact O-CB 3.39Å; D73-F77 PolarHBondContact O-N 3.07Å; F77-V82 HydrophobicContact CD2-CG2 3.85Å; F77-V82 HydrophobicContact CE2-CB 4.38Å; F77-V82 HydrophobicContact CE2-CG2 4.03Å; F77-I98 HydrophobicContact CE2-CG2 4.36Å; F77-I98 HydrophobicContact CZ-CG2 3.99Å
78	H	86.1	Confident	91.9	Very high	127 Å²	127	53.9 Å²	53.9	59%	0.588	27%	0.266	S	S	*	.			trans	-135.9	126.9	158.8	-106.9	58.1	0	0	0	107	A80 N81 V82	H78-A80 PolarHBondContact O-N 2.99Å; H78-N81 HydrophobicContact CB-CB 4.11Å; H78-N81 PolarHBondContact O-N 3.29Å; H78-V82 PolarHBondContact O-N 3.43Å; H78-V82 VanDerWaalsContact O-N 3.08Å
79	S	86.4	Confident	91.8	Very high	59 Å²	59	54.5 Å²	54.5	41%	0.413	27%	0.271	S	S	.	.	H	α-helix	trans	-53.9	-52.2	-177.1	50.9	0	0	0	0	111.6	N81 V82 E83	S79-N81 VanDerWaalsContact C-N 3.31Å; S79-N81 PolarHBondContact O-N 3.14Å; S79-V82 PolarHBondContact O-N 3.15Å; S79-V82 VanDerWaalsContact O-N 3.09Å; S79-E83 WeakPolarHBondContact O-CG 3.4Å; S79-E83 PolarHBondContact O-N 3.13Å
80	A	87.7	Confident	91.6	Very high	53 Å²	53	54.9 Å²	54.9	44%	0.438	29%	0.285	S	S	.	.	H	α-helix	trans	-54.6	-43.9	179.4	0	0	0	0	0	113.1	H78 V82 E83 D84	H78-A80 PolarHBondContact O-N 2.99Å; A80-V82 PolarHBondContact O-N 3.06Å; A80-E83 PolarHBondContact O-N 3.49Å; A80-D84 WeakPolarHBondContact O-CB 3.49Å; A80-D84 PolarHBondContact O-N 3.01Å
81	N	90.8	Very high	91.4	Very high	85 Å²	85	55 Å²	55	46%	0.455	29%	0.285	S	S	.	.	H	α-helix	trans	-65.2	-41.9	179.1	-68	-5.7	0	0	0	111.8	H78 S79 D84 I85	H78-N81 HydrophobicContact CB-CB 4.11Å; H78-N81 PolarHBondContact O-N 3.29Å; S79-N81 VanDerWaalsContact C-N 3.31Å; S79-N81 PolarHBondContact O-N 3.14Å; N81-D84 PolarHBondContact O-N 3.22Å; N81-I85 WeakPolarHBondContact O-CD1 3.43Å; N81-I85 VanDerWaalsContact O-CG1 3.23Å; N81-I85 WeakPolarHBondContact O-CG1 3.24Å; N81-I85 PolarHBondContact O-N 3.25Å
82	V	93.3	Very high	91	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66.8	-44.3	178.5	171	0	0	0	0	110.4	L47 H50 L72 F77 H78 S79 A80 D84 I85 L86 I98	L47-V82 HydrophobicContact CD2-CG1 4Å; H50-V82 HydrophobicContact CB-CG2 4.47Å; L72-V82 HydrophobicContact CD1-CG1 4.17Å; L72-V82 HydrophobicContact CD1-CG2 4.29Å; F77-V82 HydrophobicContact CD2-CG2 3.85Å; F77-V82 HydrophobicContact CE2-CB 4.38Å; F77-V82 HydrophobicContact CE2-CG2 4.03Å; H78-V82 PolarHBondContact O-N 3.43Å; H78-V82 VanDerWaalsContact O-N 3.08Å; S79-V82 PolarHBondContact O-N 3.15Å; S79-V82 VanDerWaalsContact O-N 3.09Å; A80-V82 PolarHBondContact O-N 3.06Å; V82-D84 PolarHBondContact O-N 3.28Å; V82-I85 WeakPolarHBondContact O-CB 3.31Å; V82-I85 PolarHBondContact O-N 2.82Å; V82-L86 HydrophobicContact CG1-CD1 4.02Å; V82-L86 HydrophobicContact CG1-CG 4.48Å; V82-L86 VanDerWaalsContact O-CG 3.23Å; V82-L86 WeakPolarHBondContact O-CG 3.13Å; V82-L86 PolarHBondContact O-N 2.76Å; V82-I98 HydrophobicContact CB-CD1 4.28Å; V82-I98 HydrophobicContact CG1-CD1 3.97Å
83	E	94.6	Very high	90.4	Very high	63 Å²	63	67.5 Å²	67.5	29%	0.294	34%	0.344	S	S	.	.	H	α-helix	trans	-58.9	-46.8	175	-67.7	-171.9	-157.9	0	0	112.1	S79 A80 I85 L86 R87 F96 I98	S79-E83 WeakPolarHBondContact O-CG 3.4Å; S79-E83 PolarHBondContact O-N 3.13Å; A80-E83 PolarHBondContact O-N 3.49Å; E83-I85 VanDerWaalsContact C-N 3.29Å; E83-I85 PolarHBondContact O-N 3.42Å; E83-L86 PolarHBondContact O-N 3.49Å; E83-L86 VanDerWaalsContact O-N 3.15Å; E83-R87 WeakPolarHBondContact O-CG 3.12Å; E83-R87 PolarHBondContact O-N 3Å; E83-R87 IonicContact OE2-NH2 3.66Å; E83-F96 HydrophobicContact CB-CE2 4.45Å; E83-F96 HydrophobicContact CB-CZ 4.19Å; E83-F96 HydrophobicContact CG-CE2 3.84Å; E83-F96 HydrophobicContact CG-CZ 4.03Å; E83-I98 HydrophobicContact CG-CD1 3.43Å; E83-I98 VanDerWaalsContact CG-CD1 3.43Å
84	D	94.4	Very high	89.9	Confident	81 Å²	81	71.6 Å²	71.6	43%	0.433	37%	0.373	S	S	.	.	H	α-helix	trans	-59.5	-40.5	177	-79.7	-12.2	0	0	0	112	A80 N81 V82 K88	A80-D84 WeakPolarHBondContact O-CB 3.49Å; A80-D84 PolarHBondContact O-N 3.01Å; N81-D84 PolarHBondContact O-N 3.22Å; V82-D84 PolarHBondContact O-N 3.28Å; D84-K88 WeakPolarHBondContact O-CB 3.42Å; D84-K88 VanDerWaalsContact O-CG 3.26Å; D84-K88 WeakPolarHBondContact O-CG 3.23Å; D84-K88 PolarHBondContact O-N 3.41Å
85	I	94.2	Very high	89.9	Confident	30 Å²	30	74.5 Å²	74.5	15%	0.154	39%	0.386	C	S	.	.	H	α-helix	trans	-61.7	-46.6	175.2	-74.1	165.1	0	0	0	110.5	A46 L47 H50 N81 V82 E83 N89	A46-I85 HydrophobicContact CB-CG2 3.5Å; L47-I85 HydrophobicContact CD2-CB 4.35Å; L47-I85 HydrophobicContact CD2-CG2 3.77Å; L47-I85 HydrophobicContact CG-CG2 4.09Å; H50-I85 VanDerWaalsContact NE2-CD1 3.26Å; H50-I85 WeakPolarHBondContact NE2-CD1 3.14Å; N81-I85 WeakPolarHBondContact O-CD1 3.43Å; N81-I85 VanDerWaalsContact O-CG1 3.23Å; N81-I85 WeakPolarHBondContact O-CG1 3.24Å; N81-I85 PolarHBondContact O-N 3.25Å; V82-I85 WeakPolarHBondContact O-CB 3.31Å; V82-I85 PolarHBondContact O-N 2.82Å; E83-I85 VanDerWaalsContact C-N 3.29Å; E83-I85 PolarHBondContact O-N 3.42Å; I85-N89 WeakPolarHBondContact O-CB 3.18Å; I85-N89 PolarHBondContact O-N 3.38Å; I85-N89 VanDerWaalsContact O-N 3.13Å; I85-N89 PolarHBondContact O-ND2 2.78Å
86	L	95	Very high	90.3	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-63.4	-45.7	179.8	-63.2	164.9	0	0	0	111.1	V31 F33 I43 L47 V82 E83 N89 G90 L91 F96	V31-L86 HydrophobicContact CB-CD1 4.45Å; V31-L86 HydrophobicContact CG2-CD1 3.45Å; V31-L86 VanDerWaalsContact CG2-CD1 3.45Å; V31-L86 HydrophobicContact CG2-CD2 4.13Å; V31-L86 HydrophobicContact CG2-CG 4.43Å; F33-L86 HydrophobicContact CD1-CD2 4.48Å; I43-L86 HydrophobicContact CG2-CD2 3.85Å; L47-L86 HydrophobicContact CD1-CD2 3.99Å; V82-L86 HydrophobicContact CG1-CD1 4.02Å; V82-L86 HydrophobicContact CG1-CG 4.48Å; V82-L86 VanDerWaalsContact O-CG 3.23Å; V82-L86 WeakPolarHBondContact O-CG 3.13Å; V82-L86 PolarHBondContact O-N 2.76Å; E83-L86 PolarHBondContact O-N 3.49Å; E83-L86 VanDerWaalsContact O-N 3.15Å; L86-N89 CarbonylContact O-C 3.44Å; L86-N89 PolarHBondContact O-N 3.1Å; L86-N89 VanDerWaalsContact O-N 3.14Å; L86-G90 PolarHBondContact O-N 2.82Å; L86-L91 HydrophobicContact CB-CB 4.28Å; L86-L91 HydrophobicContact CB-CD1 4.27Å; L86-L91 HydrophobicContact CD2-CD1 3.91Å; L86-L91 PolarHBondContact O-N 2.77Å; L86-F96 HydrophobicContact CB-CD1 4.13Å; L86-F96 HydrophobicContact CB-CE1 4.1Å; L86-F96 HydrophobicContact CD1-CB 4.28Å; L86-F96 HydrophobicContact CD1-CD1 4.11Å; L86-F96 HydrophobicContact CD1-CD2 3.53Å; L86-F96 HydrophobicContact CD1-CE1 4.32Å; L86-F96 HydrophobicContact CD1-CE2 3.81Å; L86-F96 HydrophobicContact CD1-CG 3.7Å; L86-F96 HydrophobicContact CD1-CZ 4.19Å
87	R	94.6	Very high	90.7	Very high	102 Å²	102	72.8 Å²	72.8	39%	0.385	37%	0.371	S	S	.	.	H	α-helix	trans	-61.7	-45.6	178.2	-67.7	178.2	-167.5	-111.9	5.3	112.5	E83 N89 G90 L91 E93 F96	E83-R87 WeakPolarHBondContact O-CG 3.12Å; E83-R87 PolarHBondContact O-N 3Å; E83-R87 IonicContact OE2-NH2 3.66Å; R87-N89 PolarHBondContact O-N 3.26Å; R87-G90 PolarHBondContact O-N 2.84Å; R87-G90 VanDerWaalsContact O-N 3.11Å; R87-L91 WeakPolarHBondContact CA-O 3.45Å; R87-E93 IonicContact CZ-OE2 2.81Å; R87-E93 IonicContact NH1-OE2 3.76Å; R87-E93 PolarHBondContact NH1-OE2 3Å; R87-E93 VanDerWaalsContact NH2-CD 3.32Å; R87-E93 IonicContact NH2-OE2 3.25Å; R87-E93 PolarHBondContact NH2-OE2 3.12Å; R87-F96 HydrophobicContact CG-CE1 4.3Å
88	K	94.9	Very high	91.1	Very high	173 Å²	173	73.3 Å²	73.3	75%	0.752	37%	0.374	S	S	*	.	H	α-helix	trans	-63.9	-25	175.5	-75.1	173.1	-179	169.4	0	113.5	D84	D84-K88 WeakPolarHBondContact O-CB 3.42Å; D84-K88 VanDerWaalsContact O-CG 3.26Å; D84-K88 WeakPolarHBondContact O-CG 3.23Å; D84-K88 PolarHBondContact O-N 3.41Å
89	N	94.1	Very high	91.6	Very high	42 Å²	42	67.6 Å²	67.6	23%	0.225	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	16.3	177.4	-72.7	-88.2	0	0	0	113.1	I43 A46 I85 L86 R87	I43-N89 HydrophobicContact CG1-CB 3.65Å; A46-N89 WeakPolarHBondContact CB-ND2 3.35Å; I85-N89 WeakPolarHBondContact O-CB 3.18Å; I85-N89 PolarHBondContact O-N 3.38Å; I85-N89 VanDerWaalsContact O-N 3.13Å; I85-N89 PolarHBondContact O-ND2 2.78Å; L86-N89 CarbonylContact O-C 3.44Å; L86-N89 PolarHBondContact O-N 3.1Å; L86-N89 VanDerWaalsContact O-N 3.14Å; R87-N89 PolarHBondContact O-N 3.26Å
90	G	91.6	Very high	91.9	Very high	42 Å²	42	68.4 Å²	68.4	43%	0.433	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.8	10.4	166.8	0	0	0	0	0	115.9	L86 R87	L86-G90 PolarHBondContact O-N 2.82Å; R87-G90 PolarHBondContact O-N 2.84Å; R87-G90 VanDerWaalsContact O-N 3.11Å
91	L	91.5	Very high	92.3	Very high	3 Å²	3	68.6 Å²	68.6	2%	0.016	34%	0.342	C	S	.	.			trans	-94.6	130.6	171.6	-59	-171.6	0	0	0	112.3	F33 T35 I43 L86 R87 E95 F96	F33-L91 HydrophobicContact CB-CD1 3.62Å; F33-L91 HydrophobicContact CD1-CD1 4.29Å; F33-L91 HydrophobicContact CD2-CD1 3.78Å; F33-L91 HydrophobicContact CG-CD1 3.65Å; T35-L91 HydrophobicContact CG2-CD2 4.23Å; T35-L91 WeakPolarHBondContact OG1-CD2 3.38Å; I43-L91 HydrophobicContact CD1-CD1 3.86Å; I43-L91 HydrophobicContact CD1-CD2 4Å; I43-L91 HydrophobicContact CD1-CG 3.76Å; L86-L91 HydrophobicContact CB-CB 4.28Å; L86-L91 HydrophobicContact CB-CD1 4.27Å; L86-L91 HydrophobicContact CD2-CD1 3.91Å; L86-L91 PolarHBondContact O-N 2.77Å; R87-L91 WeakPolarHBondContact CA-O 3.45Å; L91-E95 WeakPolarHBondContact CA-OE2 3.47Å; L91-E95 HydrophobicContact CB-CB 4.41Å; L91-E95 HydrophobicContact CD2-CB 4.34Å; L91-F96 HydrophobicContact CB-CD1 3.89Å; L91-F96 HydrophobicContact CB-CE1 4.5Å; L91-F96 HydrophobicContact CD1-CB 4.14Å; L91-F96 HydrophobicContact CD1-CD1 4.38Å
92	Q	88.8	Confident	92.6	Very high	133 Å²	133	70.6 Å²	70.6	62%	0.621	35%	0.352	S	S	*	.			trans	-86.1	167.3	170.5	-59.1	-173.8	-8.3	0	0	111.4	C94 E95 F96	Q92-C94 PolarHBondContact O-N 2.79Å; Q92-E95 HydrophobicContact CB-CG 4.32Å; Q92-E95 PolarHBondContact N-OE2 3.43Å; Q92-E95 WeakPolarHBondContact O-CB 3.27Å; Q92-E95 PolarHBondContact O-N 3.38Å; Q92-F96 WeakPolarHBondContact O-CD1 3.39Å; Q92-F96 WeakPolarHBondContact O-CE1 3.26Å
93	E	81.4	Confident	92.6	Very high	132 Å²	132	71.2 Å²	71.2	62%	0.617	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.5	-175.6	-168.3	165.1	156.9	0	0	113.9	R87 E95	R87-E93 IonicContact CZ-OE2 2.81Å; R87-E93 IonicContact NH1-OE2 3.76Å; R87-E93 PolarHBondContact NH1-OE2 3Å; R87-E93 VanDerWaalsContact NH2-CD 3.32Å; R87-E93 IonicContact NH2-OE2 3.25Å; R87-E93 PolarHBondContact NH2-OE2 3.12Å; E93-E95 VanDerWaalsContact C-N 3.33Å
94	C	83.6	Confident	92.7	Very high	116 Å²	116	74.5 Å²	74.5	78%	0.784	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-7.5	176.8	60.4	0	0	0	0	114.2	Q92	Q92-C94 PolarHBondContact O-N 2.79Å
95	E	88.9	Confident	92.8	Very high	73 Å²	73	70.7 Å²	70.7	34%	0.341	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-11.7	-175.5	-63.4	-175.9	110.6	0	0	113.3	F33 K34 L91 Q92 E93	F33-E95 WeakPolarHBondContact CA-O 3.34Å; F33-E95 WeakPolarHBondContact CB-O 3.41Å; K34-E95 PolarHBondContact N-O 3.41Å; L91-E95 WeakPolarHBondContact CA-OE2 3.47Å; L91-E95 HydrophobicContact CB-CB 4.41Å; L91-E95 HydrophobicContact CD2-CB 4.34Å; Q92-E95 HydrophobicContact CB-CG 4.32Å; Q92-E95 PolarHBondContact N-OE2 3.43Å; Q92-E95 WeakPolarHBondContact O-CB 3.27Å; Q92-E95 PolarHBondContact O-N 3.38Å; E93-E95 VanDerWaalsContact C-N 3.33Å
96	F	94.3	Very high	93	Very high	23 Å²	23	72.4 Å²	72.4	10%	0.101	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	159.6	177.4	71	-93.9	0	0	0	112.1	V31 E32 F33 E83 L86 R87 L91 Q92 I98	V31-F96 HydrophobicContact CG2-CB 4.3Å; V31-F96 HydrophobicContact CG2-CD2 4.46Å; E32-F96 CarbonylContact O-C 3.57Å; E32-F96 WeakPolarHBondContact O-CA 3.38Å; F33-F96 HydrophobicContact CB-CB 3.69Å; E83-F96 HydrophobicContact CB-CE2 4.45Å; E83-F96 HydrophobicContact CB-CZ 4.19Å; E83-F96 HydrophobicContact CG-CE2 3.84Å; E83-F96 HydrophobicContact CG-CZ 4.03Å; L86-F96 HydrophobicContact CB-CD1 4.13Å; L86-F96 HydrophobicContact CB-CE1 4.1Å; L86-F96 HydrophobicContact CD1-CB 4.28Å; L86-F96 HydrophobicContact CD1-CD1 4.11Å; L86-F96 HydrophobicContact CD1-CD2 3.53Å; L86-F96 HydrophobicContact CD1-CE1 4.32Å; L86-F96 HydrophobicContact CD1-CE2 3.81Å; L86-F96 HydrophobicContact CD1-CG 3.7Å; L86-F96 HydrophobicContact CD1-CZ 4.19Å; R87-F96 HydrophobicContact CG-CE1 4.3Å; L91-F96 HydrophobicContact CB-CD1 3.89Å; L91-F96 HydrophobicContact CB-CE1 4.5Å; L91-F96 HydrophobicContact CD1-CB 4.14Å; L91-F96 HydrophobicContact CD1-CD1 4.38Å; Q92-F96 WeakPolarHBondContact O-CD1 3.39Å; Q92-F96 WeakPolarHBondContact O-CE1 3.26Å; F96-I98 HydrophobicContact CD2-CG1 4.32Å; F96-I98 HydrophobicContact CE2-CD1 4.5Å; F96-I98 HydrophobicContact CE2-CG1 4.34Å
97	R	93.9	Very high	93.1	Very high	163 Å²	163	73 Å²	73	62%	0.615	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	135.4	170.7	175.6	-178.8	174.3	-170.8	-1.1	108.9	V31 E32	V31-R97 CarbonylContact C-O 3.57Å; V31-R97 WeakPolarHBondContact CA-O 3.39Å; E32-R97 PolarHBondContact N-O 3.39Å; E32-R97 PolarHBondContact O-N 3.19Å
98	I	94.2	Very high	93.2	Very high	39 Å²	39	71.3 Å²	71.3	20%	0.2	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131.4	162.4	-59.6	-179.5	0	0	0	107.3	F30 V31 F77 V82 E83 F96	F30-I98 WeakPolarHBondContact O-CA 3.33Å; V31-I98 HydrophobicContact CG2-CG1 4.47Å; F77-I98 HydrophobicContact CE2-CG2 4.36Å; F77-I98 HydrophobicContact CZ-CG2 3.99Å; V82-I98 HydrophobicContact CB-CD1 4.28Å; V82-I98 HydrophobicContact CG1-CD1 3.97Å; E83-I98 HydrophobicContact CG-CD1 3.43Å; E83-I98 VanDerWaalsContact CG-CD1 3.43Å; F96-I98 HydrophobicContact CD2-CG1 4.32Å; F96-I98 HydrophobicContact CE2-CD1 4.5Å; F96-I98 HydrophobicContact CE2-CG1 4.34Å
99	G	94.7	Very high	93.3	Very high	8 Å²	8	63.6 Å²	63.6	8%	0.082	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	-176.6	176.7	0	0	0	0	0	110.4	Y29 F30	Y29-G99 CarbonylContact C-O 3.56Å; Y29-G99 VanDerWaalsContact CA-O 3.3Å; Y29-G99 WeakPolarHBondContact CA-O 3.43Å; F30-G99 PolarHBondContact N-O 3.39Å; F30-G99 PolarHBondContact O-N 3.48Å
100	D	94.5	Very high	93.4	Very high	75 Å²	75	61.6 Å²	61.6	40%	0.401	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	156.2	172.6	62.8	94.6	0	0	0	110	Q27 I28 Y29	Q27-D100 HydrophobicContact CG-CB 4.16Å; Q27-D100 PolarHBondContact NE2-OD1 2.87Å; I28-D100 VanDerWaalsContact O-CA 3.3Å; I28-D100 WeakPolarHBondContact O-CA 3.44Å; Y29-D100 HydrophobicContact CD1-CB 3.75Å; Y29-D100 HydrophobicContact CE1-CB 3.87Å; Y29-D100 HydrophobicContact CG-CB 4.3Å
101	E	95.5	Very high	93.4	Very high	57 Å²	57	62.2 Å²	62.2	27%	0.266	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	162	172.3	67.5	-174.6	-179.6	0	0	111.4	Q27 I28 F30 K69 Y71 V103	Q27-E101 WeakPolarHBondContact CA-O 3.47Å; I28-E101 PolarHBondContact N-O 3.15Å; I28-E101 PolarHBondContact O-N 3.5Å; F30-E101 HydrophobicContact CD1-CG 4.13Å; F30-E101 HydrophobicContact CE1-CB 4.16Å; F30-E101 HydrophobicContact CE1-CG 4.14Å; K69-E101 VanDerWaalsContact CE-OE1 3.3Å; K69-E101 WeakPolarHBondContact CE-OE1 3.26Å; K69-E101 IonicContact NZ-OE1 2.57Å; K69-E101 PolarHBondContact NZ-OE1 3.44Å; K69-E101 IonicContact NZ-OE2 3.51Å; K69-E101 PolarHBondContact NZ-OE2 2.93Å; Y71-E101 HydrophobicContact CE1-CG 4.17Å; Y71-E101 WeakPolarHBondContact CE1-OE1 3.36Å; Y71-E101 PolarHBondContact OH-OE1 2.95Å; E101-V103 HydrophobicContact CG-CG2 3.98Å
102	L	96	Very high	93.4	Very high	128 Å²	128	62.7 Å²	62.7	67%	0.67	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	126	170.9	-64.4	-179.7	0	0	0	109.6	T25 Q27	T25-L102 HydrophobicContact CG2-CB 3.75Å; T25-L102 HydrophobicContact CG2-CD1 4.36Å; T25-L102 HydrophobicContact CG2-CD2 4.24Å; T25-L102 HydrophobicContact CG2-CG 4.33Å; Q27-L102 HydrophobicContact CB-CD2 4.14Å
103	V	94.8	Very high	93.5	Very high	13 Å²	13	63.5 Å²	63.5	8%	0.079	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.7	176.7	179.4	0	0	0	0	108.7	V26 I28 L57 Y71 E101 L105	V26-V103 PolarHBondContact N-O 3.21Å; V26-V103 PolarHBondContact O-N 2.89Å; I28-V103 HydrophobicContact CB-CG2 4.1Å; I28-V103 HydrophobicContact CD1-CB 3.59Å; I28-V103 HydrophobicContact CD1-CG1 3.98Å; I28-V103 HydrophobicContact CD1-CG2 3.77Å; I28-V103 HydrophobicContact CG1-CB 4.14Å; I28-V103 HydrophobicContact CG1-CG2 4.11Å; L57-V103 HydrophobicContact CD1-CG1 4.26Å; Y71-V103 HydrophobicContact CE1-CG2 3.97Å; E101-V103 HydrophobicContact CG-CG2 3.98Å; V103-L105 HydrophobicContact CG1-CD2 4.04Å
104	E	96.1	Very high	94	Very high	131 Å²	131	59.6 Å²	59.6	61%	0.612	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	125.3	170.7	-63.3	-167.5	164.6	0	0	109.9	T24	T24-E104 WeakPolarHBondContact O-CA 3.49Å
105	L	97	Very high	94.4	Very high	1 Å²	1	54 Å²	54	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	153.4	171.6	-58.6	177.1	0	0	0	108.7	V5 R23 T24 V26 L54 L57 V103 N109 W110	V5-L105 HydrophobicContact CG1-CD1 3.43Å; V5-L105 VanDerWaalsContact CG1-CD1 3.43Å; R23-L105 CarbonylContact C-O 3.47Å; R23-L105 VanDerWaalsContact CA-O 3.32Å; R23-L105 WeakPolarHBondContact CA-O 3.47Å; T24-L105 HydrophobicContact CG2-CB 4.01Å; T24-L105 PolarHBondContact N-O 2.89Å; T24-L105 PolarHBondContact O-N 2.86Å; T24-L105 VanDerWaalsContact O-O 3.12Å; V26-L105 HydrophobicContact CG2-CD1 3.48Å; V26-L105 VanDerWaalsContact CG2-CD1 3.48Å; V26-L105 HydrophobicContact CG2-CG 3.93Å; L54-L105 HydrophobicContact CD1-CD1 3.62Å; L54-L105 HydrophobicContact CD1-CD2 3.98Å; L54-L105 HydrophobicContact CD1-CG 4.47Å; L57-L105 HydrophobicContact CD1-CD2 4.36Å; L57-L105 HydrophobicContact CD2-CD2 4.43Å; V103-L105 HydrophobicContact CG1-CD2 4.04Å; L105-N109 WeakPolarHBondContact CA-OD1 3.35Å; L105-N109 HydrophobicContact CB-CB 4.18Å; L105-N109 HydrophobicContact CD2-CB 3.99Å; L105-W110 HydrophobicContact CB-CH2 4.4Å; L105-W110 HydrophobicContact CB-CZ2 3.9Å; L105-W110 HydrophobicContact CD1-CH2 3.59Å; L105-W110 HydrophobicContact CD1-CZ2 3.95Å; L105-W110 HydrophobicContact CD1-CZ3 4.35Å
106	N	97.2	Very high	94.5	Very high	67 Å²	67	51 Å²	51	36%	0.358	25%	0.252	S	S	.	.			trans	-142.7	-174.3	179.4	64	56.4	0	0	0	110.8	D108 N109 W110	N106-D108 PolarHBondContact O-N 3.22Å; N106-D108 VanDerWaalsContact OD1-CB 3.25Å; N106-D108 WeakPolarHBondContact OD1-CB 3.36Å; N106-D108 PolarHBondContact OD1-N 3.38Å; N106-N109 PolarHBondContact N-OD1 2.71Å; N106-N109 WeakPolarHBondContact O-CB 3.29Å; N106-N109 PolarHBondContact O-N 3.08Å; N106-W110 PolarHBondContact O-NE1 3.15Å
107	Y	97.5	Very high	94.2	Very high	13 Å²	13	57.4 Å²	57.4	5%	0.051	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-43.3	-44	179.1	-177.4	-104.2	0	0	0	113.2	L17 R19 F22 N109 W110 I115 V164 D167 K168	L17-Y107 HydrophobicContact CD1-CE2 3.9Å; L17-Y107 HydrophobicContact CD2-CE2 4.49Å; R19-Y107 HydrophobicContact CB-CD1 4.36Å; R19-Y107 HydrophobicContact CB-CD2 4.28Å; R19-Y107 HydrophobicContact CB-CG 4Å; R19-Y107 HydrophobicContact CG-CD1 4.02Å; R19-Y107 HydrophobicContact CG-CD2 4.1Å; R19-Y107 HydrophobicContact CG-CE1 4.16Å; R19-Y107 HydrophobicContact CG-CE2 4.22Å; R19-Y107 HydrophobicContact CG-CG 3.99Å; F22-Y107 HydrophobicContact CB-CD2 4.36Å; F22-Y107 AromaticContact CD2-CD2 3.69Å; F22-Y107 HydrophobicContact CD2-CD2 3.69Å; F22-Y107 HydrophobicContact CD2-CE2 4.4Å; F22-Y107 HydrophobicContact CE2-CD2 4.09Å; F22-Y107 HydrophobicContact CE2-CE2 4.37Å; F22-Y107 AromaticContact CG-CD2 3.92Å; F22-Y107 HydrophobicContact CG-CD2 3.92Å; Y107-N109 PolarHBondContact O-N 3.3Å; Y107-W110 PolarHBondContact O-N 3.29Å; Y107-I115 HydrophobicContact CD2-CD1 3.93Å; Y107-I115 HydrophobicContact CE2-CD1 3.42Å; Y107-I115 VanDerWaalsContact CE2-CD1 3.42Å; Y107-I115 HydrophobicContact CE2-CG1 4.37Å; Y107-V164 HydrophobicContact CE2-CG2 4.38Å; Y107-D167 HydrophobicContact CE1-CB 4.12Å; Y107-D167 WeakPolarHBondContact CE1-OD2 3.3Å; Y107-D167 WeakPolarHBondContact OH-CB 3.24Å; Y107-D167 PolarHBondContact OH-OD2 2.89Å; Y107-K168 HydrophobicContact CE1-CD 4.28Å; Y107-K168 VanDerWaalsContact CZ-CE 3.46Å; Y107-K168 PolarHBondContact O-NZ 2.71Å
108	D	96.8	Very high	94.1	Very high	65 Å²	65	50.2 Å²	50.2	35%	0.348	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-66.6	-17.6	-177	-91.7	-19	0	0	0	114.8	P55 K56 N106 K168	P55-D108 WeakPolarHBondContact CB-O 3.42Å; K56-D108 HydrophobicContact CD-CB 3.51Å; K56-D108 IonicContact NZ-OD1 3.59Å; K56-D108 PolarHBondContact NZ-OD1 3.13Å; K56-D108 IonicContact NZ-OD2 3.93Å; K56-D108 PolarHBondContact NZ-OD2 3.03Å; N106-D108 PolarHBondContact O-N 3.22Å; N106-D108 VanDerWaalsContact OD1-CB 3.25Å; N106-D108 WeakPolarHBondContact OD1-CB 3.36Å; N106-D108 PolarHBondContact OD1-N 3.38Å; D108-K168 IonicContact OD1-NZ 2.78Å
109	N	96.8	Very high	93.9	Very high	11 Å²	11	48.3 Å²	48.3	6%	0.059	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-89.7	-0.6	178.1	-55.9	118.9	0	0	0	114.4	P55 L105 N106 Y107	P55-N109 WeakPolarHBondContact CD-O 3.42Å; P55-N109 VanDerWaalsContact O-CA 3.3Å; P55-N109 WeakPolarHBondContact O-CA 3.38Å; P55-N109 PolarHBondContact O-ND2 2.99Å; L105-N109 WeakPolarHBondContact CA-OD1 3.35Å; L105-N109 HydrophobicContact CB-CB 4.18Å; L105-N109 HydrophobicContact CD2-CB 3.99Å; N106-N109 PolarHBondContact N-OD1 2.71Å; N106-N109 WeakPolarHBondContact O-CB 3.29Å; N106-N109 PolarHBondContact O-N 3.08Å; Y107-N109 PolarHBondContact O-N 3.3Å
110	W	95.6	Very high	93.5	Very high	1 Å²	1	48 Å²	48	0%	0.004	24%	0.242	C	C	.	.	S	Bend	trans	-109.2	139.9	-179.8	-51.4	123.5	0	0	0	111.2	V5 S6 P7 F22 T24 L54 L105 N106 Y107 D114 I115 K168	V5-W110 HydrophobicContact CG1-CH2 3.58Å; V5-W110 HydrophobicContact CG1-CZ3 3.82Å; S6-W110 VanDerWaalsContact C-CH2 3.44Å; S6-W110 WeakPolarHBondContact O-CH2 3.47Å; P7-W110 HydrophobicContact CB-CD2 4.47Å; P7-W110 HydrophobicContact CG-CB 4.46Å; P7-W110 HydrophobicContact CG-CD2 3.77Å; P7-W110 HydrophobicContact CG-CE3 4.09Å; P7-W110 HydrophobicContact CG-CG 3.91Å; F22-W110 PolarHBondContact O-NE1 3.2Å; F22-W110 VanDerWaalsContact O-NE1 3.16Å; T24-W110 HydrophobicContact CG2-CH2 4.39Å; T24-W110 HydrophobicContact CG2-CZ2 3.72Å; L54-W110 HydrophobicContact CD1-CZ3 4.49Å; L54-W110 HydrophobicContact CD2-CE3 4.48Å; L54-W110 HydrophobicContact CD2-CZ3 4.27Å; L105-W110 HydrophobicContact CB-CH2 4.4Å; L105-W110 HydrophobicContact CB-CZ2 3.9Å; L105-W110 HydrophobicContact CD1-CH2 3.59Å; L105-W110 HydrophobicContact CD1-CZ2 3.95Å; L105-W110 HydrophobicContact CD1-CZ3 4.35Å; N106-W110 PolarHBondContact O-NE1 3.15Å; Y107-W110 PolarHBondContact O-N 3.29Å; W110-D114 HydrophobicContact CB-CB 4.11Å; W110-D114 HydrophobicContact CE3-CB 4.48Å; W110-I115 HydrophobicContact CB-CD1 4.11Å; W110-I115 HydrophobicContact CB-CG1 3.79Å; W110-K168 VanDerWaalsContact O-CE 3.27Å; W110-K168 WeakPolarHBondContact O-CE 3.26Å; W110-K168 PolarHBondContact O-NZ 2.95Å
111	T	93.5	Very high	93	Very high	54 Å²	54	45.7 Å²	45.7	33%	0.331	23%	0.231	S	C	.	.			trans	-73.1	165.2	169.1	69	0	0	0	0	110.3	P55 E113 D114 I115	P55-T111 HydrophobicContact CG-CG2 3.75Å; T111-E113 PolarHBondContact O-N 2.91Å; T111-E113 PolarHBondContact OG1-N 3.22Å; T111-D114 WeakPolarHBondContact CB-OD2 3.31Å; T111-D114 WeakPolarHBondContact CG2-OD2 3.43Å; T111-D114 PolarHBondContact N-OD2 3.32Å; T111-D114 PolarHBondContact O-N 2.86Å; T111-D114 PolarHBondContact OG1-N 3.33Å; T111-D114 VanDerWaalsContact OG1-N 3.13Å; T111-D114 PolarHBondContact OG1-OD2 2.88Å; T111-I115 WeakPolarHBondContact O-CD1 3.43Å; T111-I115 WeakPolarHBondContact O-CG1 3.49Å; T111-I115 PolarHBondContact O-N 3.27Å; T111-I115 VanDerWaalsContact O-N 3.11Å
112	A	91.6	Very high	92.2	Very high	13 Å²	13	50.1 Å²	50.1	11%	0.107	25%	0.252	C	S	.	.	H	α-helix	trans	-57.1	-38.6	172.2	0	0	0	0	0	111.6	I115 F116 V164 L165 K168	A112-I115 PolarHBondContact O-N 3.23Å; A112-F116 HydrophobicContact CB-CE2 4.01Å; A112-F116 HydrophobicContact CB-CZ 3.92Å; A112-F116 VanDerWaalsContact O-CD1 3.27Å; A112-F116 WeakPolarHBondContact O-CD1 3.29Å; A112-F116 VanDerWaalsContact O-CD2 3.3Å; A112-F116 WeakPolarHBondContact O-CD2 3.33Å; A112-F116 WeakPolarHBondContact O-CG 3.45Å; A112-F116 PolarHBondContact O-N 3.45Å; A112-V164 HydrophobicContact CB-CG1 3.96Å; A112-L165 HydrophobicContact CB-CD2 4.45Å; A112-K168 HydrophobicContact CB-CB 3.98Å; A112-K168 HydrophobicContact CB-CG 4.27Å
113	E	89.6	Confident	91.3	Very high	151 Å²	151	50.3 Å²	50.3	71%	0.706	26%	0.261	S	S	*	.	H	α-helix	trans	-65.9	-43.7	179.1	-173.9	175.4	179.7	0	0	112.3	T111 I115 F116 K117	T111-E113 PolarHBondContact O-N 2.91Å; T111-E113 PolarHBondContact OG1-N 3.22Å; E113-I115 VanDerWaalsContact C-N 3.28Å; E113-I115 PolarHBondContact O-N 3.3Å; E113-F116 PolarHBondContact O-N 3.24Å; E113-K117 WeakPolarHBondContact O-CB 3.47Å; E113-K117 PolarHBondContact O-N 3.21Å
114	D	91.9	Very high	90.1	Very high	49 Å²	49	51.6 Å²	51.6	26%	0.262	27%	0.27	S	S	.	.	H	α-helix	trans	-58.1	-44.8	174.7	-61.3	-48.4	0	0	0	110.9	P7 W110 T111 A118	P7-D114 HydrophobicContact CG-CB 4.14Å; W110-D114 HydrophobicContact CB-CB 4.11Å; W110-D114 HydrophobicContact CE3-CB 4.48Å; T111-D114 WeakPolarHBondContact CB-OD2 3.31Å; T111-D114 WeakPolarHBondContact CG2-OD2 3.43Å; T111-D114 PolarHBondContact N-OD2 3.32Å; T111-D114 PolarHBondContact O-N 2.86Å; T111-D114 PolarHBondContact OG1-N 3.33Å; T111-D114 VanDerWaalsContact OG1-N 3.13Å; T111-D114 PolarHBondContact OG1-OD2 2.88Å; D114-A118 WeakPolarHBondContact O-CB 3.49Å; D114-A118 PolarHBondContact O-N 3.27Å
115	I	93	Very high	88.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.6	-49.7	179.2	-67.8	161.4	0	0	0	110.4	F22 Y107 W110 T111 A112 E113 K117 A118 V119 V164 K168	F22-I115 HydrophobicContact CD1-CG1 4.19Å; F22-I115 HydrophobicContact CE1-CB 4.17Å; F22-I115 HydrophobicContact CE1-CG1 3.84Å; F22-I115 HydrophobicContact CE1-CG2 3.73Å; F22-I115 HydrophobicContact CZ-CG1 4.46Å; F22-I115 HydrophobicContact CZ-CG2 3.69Å; Y107-I115 HydrophobicContact CD2-CD1 3.93Å; Y107-I115 HydrophobicContact CE2-CD1 3.42Å; Y107-I115 VanDerWaalsContact CE2-CD1 3.42Å; Y107-I115 HydrophobicContact CE2-CG1 4.37Å; W110-I115 HydrophobicContact CB-CD1 4.11Å; W110-I115 HydrophobicContact CB-CG1 3.79Å; T111-I115 WeakPolarHBondContact O-CD1 3.43Å; T111-I115 WeakPolarHBondContact O-CG1 3.49Å; T111-I115 PolarHBondContact O-N 3.27Å; T111-I115 VanDerWaalsContact O-N 3.11Å; A112-I115 PolarHBondContact O-N 3.23Å; E113-I115 VanDerWaalsContact C-N 3.28Å; E113-I115 PolarHBondContact O-N 3.3Å; I115-K117 VanDerWaalsContact C-N 3.32Å; I115-K117 PolarHBondContact O-N 3.12Å; I115-A118 PolarHBondContact O-N 2.95Å; I115-V119 HydrophobicContact CG2-CG1 4.21Å; I115-V119 WeakPolarHBondContact O-CG1 3.26Å; I115-V119 WeakPolarHBondContact O-CG2 3.38Å; I115-V119 PolarHBondContact O-N 3.2Å; I115-V164 HydrophobicContact CB-CG1 4.1Å; I115-V164 HydrophobicContact CD1-CG1 3.93Å; I115-V164 HydrophobicContact CG2-CB 4.42Å; I115-V164 HydrophobicContact CG2-CG1 3.95Å; I115-V164 HydrophobicContact CG2-CG2 3.62Å; I115-K168 HydrophobicContact CD1-CD 4.43Å; I115-K168 HydrophobicContact CD1-CG 4.28Å
116	F	90.2	Very high	87.7	Confident	8 Å²	8	51.6 Å²	51.6	4%	0.035	28%	0.28	C	S	.	.	H	α-helix	trans	-57.9	-45.9	179	-61.3	-19.3	0	0	0	111.8	A112 E113 A118 V119 L120 F126 L161 V164 L165	A112-F116 HydrophobicContact CB-CE2 4.01Å; A112-F116 HydrophobicContact CB-CZ 3.92Å; A112-F116 VanDerWaalsContact O-CD1 3.27Å; A112-F116 WeakPolarHBondContact O-CD1 3.29Å; A112-F116 VanDerWaalsContact O-CD2 3.3Å; A112-F116 WeakPolarHBondContact O-CD2 3.33Å; A112-F116 WeakPolarHBondContact O-CG 3.45Å; A112-F116 PolarHBondContact O-N 3.45Å; E113-F116 PolarHBondContact O-N 3.24Å; F116-A118 PolarHBondContact O-N 3.46Å; F116-V119 PolarHBondContact O-N 3.3Å; F116-L120 HydrophobicContact CB-CD1 4.45Å; F116-L120 VanDerWaalsContact O-CB 3.3Å; F116-L120 WeakPolarHBondContact O-CB 3.43Å; F116-L120 WeakPolarHBondContact O-CG 3.43Å; F116-L120 PolarHBondContact O-N 3.01Å; F116-L120 VanDerWaalsContact O-N 3.07Å; F116-F126 HydrophobicContact CB-CB 4.17Å; F116-F126 HydrophobicContact CD2-CB 4.18Å; F116-F126 AromaticContact CD2-CD1 3.8Å; F116-F126 HydrophobicContact CD2-CD1 3.8Å; F116-F126 HydrophobicContact CD2-CD2 4.48Å; F116-F126 HydrophobicContact CD2-CE1 4.33Å; F116-F126 AromaticContact CD2-CG 3.87Å; F116-F126 HydrophobicContact CD2-CG 3.87Å; F116-F126 HydrophobicContact CE2-CD1 4.07Å; F116-F126 HydrophobicContact CE2-CE1 4.13Å; F116-F126 HydrophobicContact CE2-CG 4.37Å; F116-F126 HydrophobicContact CE2-CZ 4.48Å; F116-F126 HydrophobicContact CG-CB 4.44Å; F116-F126 HydrophobicContact CG-CG 4.44Å; F116-L161 HydrophobicContact CB-CD2 4.28Å; F116-L161 HydrophobicContact CD1-CB 4.46Å; F116-L161 HydrophobicContact CD1-CD2 3.27Å; F116-L161 HydrophobicContact CD1-CG 4.46Å; F116-L161 HydrophobicContact CE1-CB 4.03Å; F116-L161 HydrophobicContact CE1-CD2 3.71Å; F116-L161 HydrophobicContact CG-CD2 3.87Å; F116-V164 HydrophobicContact CD1-CG1 4.15Å; F116-V164 HydrophobicContact CE1-CB 3.71Å; F116-V164 HydrophobicContact CE1-CG1 3.43Å; F116-V164 VanDerWaalsContact CE1-CG1 3.43Å; F116-V164 HydrophobicContact CZ-CB 4.43Å; F116-V164 HydrophobicContact CZ-CG1 3.98Å; F116-L165 HydrophobicContact CE2-CD2 3.89Å; F116-L165 HydrophobicContact CE2-CG 4.49Å; F116-L165 HydrophobicContact CZ-CD2 3.55Å; F116-L165 HydrophobicContact CZ-CG 3.79Å
117	K	88.3	Confident	86.1	Confident	159 Å²	159	50.2 Å²	50.2	69%	0.691	28%	0.275	S	S	*	.	H	α-helix	trans	-62.1	-33.2	177.5	-177.6	175.9	179	-177.7	0	112.2	R12 E113 I115	R12-K117 PolarHBondContact NH1-O 3.48Å; E113-K117 WeakPolarHBondContact O-CB 3.47Å; E113-K117 PolarHBondContact O-N 3.21Å; I115-K117 VanDerWaalsContact C-N 3.32Å; I115-K117 PolarHBondContact O-N 3.12Å
118	A	91.3	Very high	85.1	Confident	11 Å²	11	52.4 Å²	52.4	9%	0.091	29%	0.293	C	S	.	.	H	α-helix	trans	-79.6	-37.9	-179.8	0	0	0	0	0	113.3	P7 V11 R12 D114 I115 F116	P7-A118 HydrophobicContact CB-CB 3.66Å; P7-A118 HydrophobicContact CG-CB 3.84Å; V11-A118 HydrophobicContact CG2-CB 3.65Å; R12-A118 WeakPolarHBondContact CA-O 3.39Å; R12-A118 WeakPolarHBondContact CD-O 3.39Å; R12-A118 PolarHBondContact NE-O 2.84Å; R12-A118 PolarHBondContact NH1-O 3.12Å; D114-A118 WeakPolarHBondContact O-CB 3.49Å; D114-A118 PolarHBondContact O-N 3.27Å; I115-A118 PolarHBondContact O-N 2.95Å; F116-A118 PolarHBondContact O-N 3.46Å
119	V	90.5	Very high	84.7	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-86.9	-28.7	-174.8	-57	0	0	0	0	114.1	V11 E13 M14 F22 I115 F116 I160 L161	V11-V119 HydrophobicContact CB-CG1 4.27Å; V11-V119 HydrophobicContact CG2-CG1 3.94Å; V11-V119 WeakPolarHBondContact O-CA 3.4Å; E13-V119 VanDerWaalsContact CA-O 3.22Å; E13-V119 WeakPolarHBondContact CA-O 3.37Å; E13-V119 PolarHBondContact N-O 3.44Å; M14-V119 HydrophobicContact CB-CB 4.42Å; M14-V119 HydrophobicContact CB-CG1 4.23Å; F22-V119 HydrophobicContact CE1-CG1 4.15Å; F22-V119 HydrophobicContact CZ-CG1 3.7Å; I115-V119 HydrophobicContact CG2-CG1 4.21Å; I115-V119 WeakPolarHBondContact O-CG1 3.26Å; I115-V119 WeakPolarHBondContact O-CG2 3.38Å; I115-V119 PolarHBondContact O-N 3.2Å; F116-V119 PolarHBondContact O-N 3.3Å; V119-I160 HydrophobicContact CB-CD1 4.21Å; V119-I160 HydrophobicContact CG1-CD1 3.94Å; V119-I160 HydrophobicContact CG2-CD1 4.3Å; V119-L161 HydrophobicContact CG2-CD2 4.41Å
120	L	86.8	Confident	84.3	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	30%	0.295	C	S	.	.	S	Bend	trans	-72.4	153.8	-178.4	-71	177.4	0	0	0	112	R12 F116 F126 L144 Y147 L161	R12-L120 WeakPolarHBondContact CD-O 3.19Å; R12-L120 PolarHBondContact NH1-O 2.92Å; F116-L120 HydrophobicContact CB-CD1 4.45Å; F116-L120 VanDerWaalsContact O-CB 3.3Å; F116-L120 WeakPolarHBondContact O-CB 3.43Å; F116-L120 WeakPolarHBondContact O-CG 3.43Å; F116-L120 PolarHBondContact O-N 3.01Å; F116-L120 VanDerWaalsContact O-N 3.07Å; L120-F126 HydrophobicContact CD1-CB 3.76Å; L120-L144 HydrophobicContact CD2-CD2 3.83Å; L120-Y147 HydrophobicContact CD2-CD2 4.04Å; L120-Y147 HydrophobicContact CD2-CE1 4.43Å; L120-Y147 HydrophobicContact CD2-CE2 3.88Å; L120-Y147 HydrophobicContact CD2-CG 4.41Å; L120-L161 HydrophobicContact CD1-CD2 4.45Å; L120-L161 HydrophobicContact CD2-CD1 4.4Å; L120-L161 HydrophobicContact CD2-CD2 4.22Å; L120-L161 HydrophobicContact CG-CD2 4.34Å
121	P	82.3	Confident	84.2	Confident	26 Å²	26	56.4 Å²	56.4	17%	0.169	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-76.8	144.4	179.6	25.6	-15	0	0	0	109.7	E13 S124 Y147	E13-P121 HydrophobicContact CG-CB 3.97Å; P121-S124 VanDerWaalsContact O-CA 3.25Å; P121-S124 WeakPolarHBondContact O-CA 3.44Å; P121-S124 WeakPolarHBondContact O-CB 3.45Å; P121-S124 PolarHBondContact O-N 2.84Å; P121-S124 PolarHBondContact O-OG 2.89Å; P121-Y147 WeakPolarHBondContact CD-OH 3.4Å; P121-Y147 HydrophobicContact CG-CE2 4.19Å; P121-Y147 VanDerWaalsContact CG-OH 3.24Å; P121-Y147 WeakPolarHBondContact CG-OH 3.31Å
122	E	80.4	Confident	84.2	Confident	151 Å²	151	53.8 Å²	53.8	71%	0.706	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	141.3	173.1	-69.5	-178.8	-172.4	0	0	110.7	R12	R12-E122 IonicContact CZ-OE1 2.88Å; R12-E122 IonicContact NH1-OE1 2.76Å; R12-E122 IonicContact NH2-OE1 3.99Å; R12-E122 PolarHBondContact NH2-OE1 3.28Å
123	P	76	Confident	84.4	Confident	132 Å²	132	54.2 Å²	54.2	86%	0.857	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	cis	-91.4	19.3	3.9	38.4	-37	0	0	0	113.9
124	S	70.4	Confident	84.7	Confident	40 Å²	40	48.6 Å²	48.6	28%	0.28	28%	0.277	S	S	.	.			trans	-63.4	141.3	-177.7	-47.1	0	0	0	0	111.2	P121	P121-S124 VanDerWaalsContact O-CA 3.25Å; P121-S124 WeakPolarHBondContact O-CA 3.44Å; P121-S124 WeakPolarHBondContact O-CB 3.45Å; P121-S124 PolarHBondContact O-N 2.84Å; P121-S124 PolarHBondContact O-OG 2.89Å
125	S	70.8	Confident	84.9	Confident	93 Å²	93	46.3 Å²	46.3	65%	0.65	27%	0.265	S	S	*	.			trans	-125.9	154.4	172.7	62.1	0	0	0	0	109.9	S127	S125-S127 PolarHBondContact O-N 3.44Å
126	F	71.1	Confident	84.9	Confident	39 Å²	39	46.3 Å²	46.3	17%	0.171	27%	0.265	C	S	.	.			trans	-71.5	127.3	172	179.4	-104.1	0	0	0	109.7	F116 L120 S128 Y129 L138 L161	F116-F126 HydrophobicContact CB-CB 4.17Å; F116-F126 HydrophobicContact CD2-CB 4.18Å; F116-F126 AromaticContact CD2-CD1 3.8Å; F116-F126 HydrophobicContact CD2-CD1 3.8Å; F116-F126 HydrophobicContact CD2-CD2 4.48Å; F116-F126 HydrophobicContact CD2-CE1 4.33Å; F116-F126 AromaticContact CD2-CG 3.87Å; F116-F126 HydrophobicContact CD2-CG 3.87Å; F116-F126 HydrophobicContact CE2-CD1 4.07Å; F116-F126 HydrophobicContact CE2-CE1 4.13Å; F116-F126 HydrophobicContact CE2-CG 4.37Å; F116-F126 HydrophobicContact CE2-CZ 4.48Å; F116-F126 HydrophobicContact CG-CB 4.44Å; F116-F126 HydrophobicContact CG-CG 4.44Å; L120-F126 HydrophobicContact CD1-CB 3.76Å; F126-S128 VanDerWaalsContact C-N 3.28Å; F126-S128 PolarHBondContact O-N 3.04Å; F126-Y129 AromaticContact CE1-CD1 3.65Å; F126-Y129 HydrophobicContact CE1-CD1 3.65Å; F126-Y129 HydrophobicContact CE1-CG 4.46Å; F126-Y129 HydrophobicContact CZ-CD1 4.01Å; F126-L138 HydrophobicContact CE2-CD2 3.93Å; F126-L138 HydrophobicContact CZ-CD2 3.56Å; F126-L161 HydrophobicContact CD2-CD1 3.78Å; F126-L161 HydrophobicContact CE2-CD1 4.03Å
127	S	64.6	Low	84.9	Confident	37 Å²	37	47.2 Å²	47.2	26%	0.259	27%	0.269	S	S	.	.			trans	-75.4	-9.5	-168.1	59.1	0	0	0	0	115.2	S125 N139	S125-S127 PolarHBondContact O-N 3.44Å; S127-N139 PolarHBondContact OG-O 2.67Å
128	S	76.8	Confident	84.8	Confident	60 Å²	60	39.7 Å²	39.7	42%	0.42	24%	0.237	S	C	.	.			trans	104.8	154.6	-171.2	73	0	0	0	0	114.7	F126	F126-S128 VanDerWaalsContact C-N 3.28Å; F126-S128 PolarHBondContact O-N 3.04Å
129	Y	86.5	Confident	84.2	Confident	81 Å²	81	41.9 Å²	41.9	32%	0.318	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	167.2	168.3	64	-93.5	0	0	0	110	F126 H137 L165 M169	F126-Y129 AromaticContact CE1-CD1 3.65Å; F126-Y129 HydrophobicContact CE1-CD1 3.65Å; F126-Y129 HydrophobicContact CE1-CG 4.46Å; F126-Y129 HydrophobicContact CZ-CD1 4.01Å; Y129-H137 WeakPolarHBondContact CA-O 3.21Å; Y129-L165 HydrophobicContact CD1-CD1 4Å; Y129-L165 HydrophobicContact CD1-CD2 3.53Å; Y129-L165 HydrophobicContact CD1-CG 4.44Å; Y129-L165 HydrophobicContact CE1-CD2 3.32Å; Y129-L165 HydrophobicContact CE2-CD2 4.3Å; Y129-L165 HydrophobicContact CG-CD1 4.03Å; Y129-L165 HydrophobicContact CG-CD2 4.17Å; Y129-M169 HydrophobicContact CD2-SD 4.37Å; Y129-M169 HydrophobicContact CE2-CE 3.74Å; Y129-M169 HydrophobicContact CE2-SD 3.57Å; Y129-M169 VanDerWaalsContact CE2-SD 3.57Å
130	S	89.5	Confident	83.6	Confident	19 Å²	19	42.3 Å²	42.3	13%	0.133	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.5	171.4	-62.3	0	0	0	0	110.2	H137	S130-H137 PolarHBondContact N-O 2.93Å; S130-H137 PolarHBondContact O-N 3.44Å
131	C	92.4	Very high	82.8	Confident	60 Å²	60	50 Å²	50	41%	0.405	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.1	177.7	-58	0	0	0	0	110.6	I135 M169	C131-I135 CarbonylContact C-O 3.59Å; C131-I135 WeakPolarHBondContact CA-O 3.42Å; C131-M169 WeakPolarHBondContact SG-CE 3.26Å
132	I	94	Very high	82.1	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	83.6	169.8	-53.7	91.4	0	0	0	107.1	H134 I135 H137 T202 V204 L213 F215 P222	I132-H134 PolarHBondContact O-N 3.01Å; I132-I135 HydrophobicContact CB-CB 4.45Å; I132-I135 PolarHBondContact N-O 3.37Å; I132-I135 WeakPolarHBondContact O-CB 3.47Å; I132-I135 PolarHBondContact O-N 2.78Å; I132-H137 HydrophobicContact CD1-CB 3.53Å; I132-T202 HydrophobicContact CG2-CG2 3.81Å; I132-T202 PolarHBondContact O-OG1 3.02Å; I132-V204 HydrophobicContact CB-CG1 4.46Å; I132-V204 HydrophobicContact CG2-CG1 3.59Å; I132-L213 HydrophobicContact CG2-CD1 4.39Å; I132-F215 HydrophobicContact CB-CD2 4.41Å; I132-F215 HydrophobicContact CB-CE2 4.48Å; I132-F215 HydrophobicContact CD1-CE2 4.1Å; I132-F215 HydrophobicContact CD1-CZ 3.98Å; I132-F215 HydrophobicContact CG1-CD2 4.29Å; I132-F215 HydrophobicContact CG1-CE2 3.87Å; I132-F215 HydrophobicContact CG1-CZ 4.28Å; I132-F215 HydrophobicContact CG2-CD2 3.91Å; I132-F215 HydrophobicContact CG2-CE2 4.28Å; I132-P222 HydrophobicContact CG1-CG 4.3Å
133	G	95.2	Very high	81.2	Confident	21 Å²	21	54.3 Å²	54.3	22%	0.216	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	-113.8	-171.1	0	0	0	0	0	110.6	T202 R203	G133-T202 WeakPolarHBondContact CA-OG1 3.39Å; G133-R203 WeakPolarHBondContact CA-O 3.44Å
134	H	96.3	Very high	80.7	Confident	34 Å²	34	48.1 Å²	48.1	16%	0.157	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	1.9	176.2	68.4	60.8	0	0	0	114.4	I132 R171 C172 K173 T174 L199 V201 T202	I132-H134 PolarHBondContact O-N 3.01Å; H134-R171 VanDerWaalsContact CA-O 3.23Å; H134-R171 WeakPolarHBondContact CA-O 3.17Å; H134-R171 WeakPolarHBondContact CB-O 3.23Å; H134-C172 CarbonylContact O-C 3.51Å; H134-C172 WeakPolarHBondContact O-CA 3.19Å; H134-K173 HydrophobicContact CB-CB 4.24Å; H134-K173 HydrophobicContact CB-CD 4.45Å; H134-K173 HydrophobicContact CB-CG 4.1Å; H134-K173 PolarHBondContact O-N 3Å; H134-T174 PolarHBondContact O-N 3.33Å; H134-L199 PolarHBondContact CE1-O 3.11Å; H134-L199 VanDerWaalsContact CE1-O 3.27Å; H134-V201 PolarHBondContact NE2-O 3.47Å; H134-T202 PolarHBondContact N-OG1 3.11Å
135	I	96.1	Very high	80.5	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	120.2	-178.1	-53.6	172.8	0	0	0	108.5	C131 I132 T174 I176 T202 F215	C131-I135 CarbonylContact C-O 3.59Å; C131-I135 WeakPolarHBondContact CA-O 3.42Å; I132-I135 HydrophobicContact CB-CB 4.45Å; I132-I135 PolarHBondContact N-O 3.37Å; I132-I135 WeakPolarHBondContact O-CB 3.47Å; I132-I135 PolarHBondContact O-N 2.78Å; I135-T174 CarbonylContact C-O 3.5Å; I135-T174 WeakPolarHBondContact CA-O 3.42Å; I135-I176 HydrophobicContact CG2-CD1 3.78Å; I135-I176 HydrophobicContact CG2-CG1 3.86Å; I135-I176 HydrophobicContact CG2-CG2 4.42Å; I135-T202 HydrophobicContact CD1-CG2 3.95Å; I135-F215 HydrophobicContact CD1-CB 3.78Å; I135-F215 HydrophobicContact CD1-CG 4.34Å
136	A	93.7	Very high	80.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.7	168.4	0	0	0	0	0	109.7	L165 M169 T174 V175 I176	A136-L165 HydrophobicContact CB-CD1 4.09Å; A136-M169 HydrophobicContact CB-CE 4.44Å; A136-M169 HydrophobicContact CB-SD 4.38Å; A136-T174 PolarHBondContact N-O 3.06Å; A136-V175 HydrophobicContact CB-CG1 4.18Å; A136-V175 HydrophobicContact CB-CG2 4.23Å; A136-V175 WeakPolarHBondContact O-CA 3.17Å; A136-I176 PolarHBondContact O-N 3.2Å
137	H	89.5	Confident	79.5	Confident	27 Å²	27	47.8 Å²	47.8	13%	0.125	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	111.5	-176.6	173.2	-133.2	0	0	0	110.3	Y129 S130 I132 I176 K178 L189	Y129-H137 WeakPolarHBondContact CA-O 3.21Å; S130-H137 PolarHBondContact N-O 2.93Å; S130-H137 PolarHBondContact O-N 3.44Å; I132-H137 HydrophobicContact CD1-CB 3.53Å; H137-I176 HydrophobicContact CB-CD1 4.3Å; H137-I176 HydrophobicContact CB-CG1 4.14Å; H137-K178 WeakPolarHBondContact NE2-CB 3.5Å; H137-L189 WeakPolarHBondContact NE2-CD2 3.42Å
138	L	87.2	Confident	79.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	152	176.6	-61.1	-170.8	0	0	0	111.7	F126 L140 A162 L165 V175 I176 N177 K178 L194	F126-L138 HydrophobicContact CE2-CD2 3.93Å; F126-L138 HydrophobicContact CZ-CD2 3.56Å; L138-L140 HydrophobicContact CB-CG 4.15Å; L138-L140 HydrophobicContact CD1-CD1 4.32Å; L138-L140 HydrophobicContact CD1-CD2 4.13Å; L138-L140 HydrophobicContact CD1-CG 4.23Å; L138-A162 HydrophobicContact CD1-CB 4.34Å; L138-L165 HydrophobicContact CD1-CD1 4.45Å; L138-L165 HydrophobicContact CD2-CD1 3.36Å; L138-L165 HydrophobicContact CG-CD1 4.17Å; L138-V175 HydrophobicContact CD1-CG1 4.09Å; L138-V175 HydrophobicContact CG-CG1 4.03Å; L138-I176 WeakPolarHBondContact CB-O 3.48Å; L138-I176 PolarHBondContact N-O 3.48Å; L138-N177 PolarHBondContact O-OD1 3.37Å; L138-K178 WeakPolarHBondContact O-CB 3.49Å; L138-K178 PolarHBondContact O-N 3.19Å; L138-L194 HydrophobicContact CD1-CD1 3.6Å; L138-L194 HydrophobicContact CG-CD1 4.37Å
139	N	79	Confident	77.7	Confident	58 Å²	58	46.3 Å²	46.3	31%	0.31	23%	0.232	S	C	.	.			trans	-125.6	77	164.5	-171.9	23.9	0	0	0	108.9	S127 R141	S127-N139 PolarHBondContact OG-O 2.67Å; N139-R141 PolarHBondContact O-N 3.33Å
140	L	76.4	Confident	75.8	Confident	9 Å²	9	48.9 Å²	48.9	5%	0.047	25%	0.245	C	C	.	.			trans	-70.7	119.4	-179.7	-63.1	170.4	0	0	0	109.5	L138 L144 Q145 K148 D159 L161 N177 L194	L138-L140 HydrophobicContact CB-CG 4.15Å; L138-L140 HydrophobicContact CD1-CD1 4.32Å; L138-L140 HydrophobicContact CD1-CD2 4.13Å; L138-L140 HydrophobicContact CD1-CG 4.23Å; L140-L144 HydrophobicContact CD2-CB 4.42Å; L140-L144 HydrophobicContact CD2-CD1 4.48Å; L140-Q145 PolarHBondContact O-NE2 3.22Å; L140-K148 HydrophobicContact CD1-CG 4.48Å; L140-D159 WeakPolarHBondContact CD1-OD2 3.18Å; L140-L161 HydrophobicContact CD2-CD1 3.88Å; L140-N177 WeakPolarHBondContact CB-OD1 3.38Å; L140-N177 HydrophobicContact CD1-CB 4.17Å; L140-N177 WeakPolarHBondContact CG-OD1 3.27Å; L140-N177 PolarHBondContact N-OD1 3.02Å; L140-L194 HydrophobicContact CD1-CD1 4.38Å
141	R	70.2	Confident	73.5	Confident	163 Å²	163	51.9 Å²	51.9	62%	0.615	26%	0.259	S	S	*	.			trans	-68.8	159.4	171.9	-64.1	-178.1	-177.1	-172	2	110.3	N139 N143 L144 Q145	N139-R141 PolarHBondContact O-N 3.33Å; R141-N143 WeakPolarHBondContact CB-OD1 3.19Å; R141-N143 PolarHBondContact O-N 2.79Å; R141-L144 PolarHBondContact O-N 2.79Å; R141-Q145 PolarHBondContact O-N 2.79Å
142	E	68.6	Low	71.2	Confident	176 Å²	176	52 Å²	52	82%	0.822	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-52.5	-38.5	178	-71.6	-178.1	178.9	0	0	113.1	L144 Q145	E142-L144 PolarHBondContact O-N 2.76Å; E142-Q145 VanDerWaalsContact O-CB 3.31Å; E142-Q145 WeakPolarHBondContact O-CB 3.46Å; E142-Q145 WeakPolarHBondContact O-CG 3.23Å; E142-Q145 PolarHBondContact O-N 3.03Å; E142-Q145 VanDerWaalsContact O-N 3.11Å
143	N	61.5	Low	68.9	Low	91 Å²	91	60.3 Å²	60.3	49%	0.487	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-68.9	-13.9	179.1	69.7	-66.3	0	0	0	114.3	R141	R141-N143 WeakPolarHBondContact CB-OD1 3.19Å; R141-N143 PolarHBondContact O-N 2.79Å
144	L	65.6	Low	66.4	Low	2 Å²	2	65.9 Å²	65.9	1%	0.01	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-98.9	-4.3	175	-62.8	-179.6	0	0	0	112.8	L120 L140 R141 E142 P146 Y147	L120-L144 HydrophobicContact CD2-CD2 3.83Å; L140-L144 HydrophobicContact CD2-CB 4.42Å; L140-L144 HydrophobicContact CD2-CD1 4.48Å; R141-L144 PolarHBondContact O-N 2.79Å; E142-L144 PolarHBondContact O-N 2.76Å; L144-P146 VanDerWaalsContact C-N 3.29Å; L144-Y147 HydrophobicContact CD2-CD2 4.24Å; L144-Y147 HydrophobicContact CD2-CE2 4.32Å; L144-Y147 WeakPolarHBondContact O-CB 3.38Å; L144-Y147 PolarHBondContact O-N 2.93Å; L144-Y147 VanDerWaalsContact O-N 3.1Å
145	Q	66.5	Low	63.6	Low	68 Å²	68	69.9 Å²	69.9	32%	0.318	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-57.2	-31.5	176.6	-59.8	-68.6	-40.2	0	0	114	L140 R141 E142 Y147 K148	L140-Q145 PolarHBondContact O-NE2 3.22Å; R141-Q145 PolarHBondContact O-N 2.79Å; E142-Q145 VanDerWaalsContact O-CB 3.31Å; E142-Q145 WeakPolarHBondContact O-CB 3.46Å; E142-Q145 WeakPolarHBondContact O-CG 3.23Å; E142-Q145 PolarHBondContact O-N 3.03Å; E142-Q145 VanDerWaalsContact O-N 3.11Å; Q145-Y147 PolarHBondContact O-N 3.44Å; Q145-Y147 VanDerWaalsContact O-N 3.09Å; Q145-K148 VanDerWaalsContact O-CB 3.26Å; Q145-K148 WeakPolarHBondContact O-CB 3.43Å; Q145-K148 PolarHBondContact O-N 2.61Å; Q145-K148 VanDerWaalsContact OE1-CD 3.24Å
146	P	61.7	Low	60.9	Low	81 Å²	81	75.9 Å²	75.9	53%	0.526	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-62.8	-13.8	176	-24.6	35.3	0	0	0	115.3	L144 K148	L144-P146 VanDerWaalsContact C-N 3.29Å; P146-K148 VanDerWaalsContact C-N 3.3Å
147	Y	58.2	Low	58.6	Low	15 Å²	15	76.1 Å²	76.1	6%	0.059	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-84.3	-5.2	172.9	-66.6	-80.5	0	0	0	112.9	L120 P121 L144 Q145 D159 I160	L120-Y147 HydrophobicContact CD2-CD2 4.04Å; L120-Y147 HydrophobicContact CD2-CE1 4.43Å; L120-Y147 HydrophobicContact CD2-CE2 3.88Å; L120-Y147 HydrophobicContact CD2-CG 4.41Å; P121-Y147 WeakPolarHBondContact CD-OH 3.4Å; P121-Y147 HydrophobicContact CG-CE2 4.19Å; P121-Y147 VanDerWaalsContact CG-OH 3.24Å; P121-Y147 WeakPolarHBondContact CG-OH 3.31Å; L144-Y147 HydrophobicContact CD2-CD2 4.24Å; L144-Y147 HydrophobicContact CD2-CE2 4.32Å; L144-Y147 WeakPolarHBondContact O-CB 3.38Å; L144-Y147 PolarHBondContact O-N 2.93Å; L144-Y147 VanDerWaalsContact O-N 3.1Å; Q145-Y147 PolarHBondContact O-N 3.44Å; Q145-Y147 VanDerWaalsContact O-N 3.09Å; Y147-D159 WeakPolarHBondContact O-CA 3.34Å; Y147-I160 HydrophobicContact CD1-CG2 4Å
148	K	56.9	Low	56.9	Low	18 Å²	18	76 Å²	76	8%	0.078	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	113.4	164.3	-61.6	-174.2	177.3	-178.4	0	108.7	L140 Q145 P146 N157 N177 E192	L140-K148 HydrophobicContact CD1-CG 4.48Å; Q145-K148 VanDerWaalsContact O-CB 3.26Å; Q145-K148 WeakPolarHBondContact O-CB 3.43Å; Q145-K148 PolarHBondContact O-N 2.61Å; Q145-K148 VanDerWaalsContact OE1-CD 3.24Å; P146-K148 VanDerWaalsContact C-N 3.3Å; K148-N157 HydrophobicContact CB-CB 4.3Å; K148-N177 PolarHBondContact NZ-ND2 3.48Å; K148-E192 IonicContact NZ-OE2 3.54Å; K148-E192 PolarHBondContact NZ-OE2 2.95Å
149	M	47.4	Very low	56.2	Low	48 Å²	48	76 Å²	76	24%	0.236	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.3	173.5	179.6	178.8	61.4	0	0	110	Q16 I151 N157 V158	Q16-M149 HydrophobicContact CB-SD 4.33Å; Q16-M149 HydrophobicContact CG-CE 4.37Å; Q16-M149 HydrophobicContact CG-SD 4.31Å; M149-I151 HydrophobicContact CE-CD1 3.61Å; M149-I151 HydrophobicContact CE-CG1 3.7Å; M149-I151 HydrophobicContact CG-CG1 4.35Å; M149-I151 HydrophobicContact SD-CG1 4.39Å; M149-N157 CarbonylContact O-C 3.56Å; M149-N157 WeakPolarHBondContact O-CA 3.48Å; M149-V158 VanDerWaalsContact CB-O 3.3Å; M149-V158 WeakPolarHBondContact CB-O 3.43Å; M149-V158 HydrophobicContact CE-CB 3.78Å; M149-V158 HydrophobicContact CE-CG1 4.45Å; M149-V158 HydrophobicContact CE-CG2 4.17Å; M149-V158 PolarHBondContact N-O 3.34Å; M149-V158 PolarHBondContact O-N 3.06Å
150	F	46.9	Very low	56.6	Low	136 Å²	136	73.3 Å²	73.3	60%	0.596	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	117.7	169.1	-68.8	-93	0	0	0	110.3	L155 N157	F150-L155 HydrophobicContact CD1-CD1 4.3Å; F150-L155 HydrophobicContact CD1-CG 4.33Å; F150-L155 HydrophobicContact CE1-CD1 3.96Å; F150-L155 HydrophobicContact CE1-CG 4.05Å; F150-N157 WeakPolarHBondContact CD1-OD1 3.47Å; F150-N157 WeakPolarHBondContact CD2-OD1 3.36Å; F150-N157 WeakPolarHBondContact CE1-OD1 3.36Å; F150-N157 WeakPolarHBondContact CG-OD1 3.42Å; F150-N157 WeakPolarHBondContact CZ-OD1 3.42Å
151	I	41.3	Very low	57.1	Low	81 Å²	81	72.9 Å²	72.9	42%	0.415	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	102.7	167	-52.7	177.5	0	0	0	109.3	M149 E156 V158	M149-I151 HydrophobicContact CE-CD1 3.61Å; M149-I151 HydrophobicContact CE-CG1 3.7Å; M149-I151 HydrophobicContact CG-CG1 4.35Å; M149-I151 HydrophobicContact SD-CG1 4.39Å; I151-E156 HydrophobicContact CB-CB 4.18Å; I151-E156 PolarHBondContact N-O 3.08Å; I151-V158 HydrophobicContact CD1-CG2 3.91Å
152	G	42.9	Very low	58	Low	64 Å²	64	65.1 Å²	65.1	66%	0.66	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	-164.5	169.8	0	0	0	0	0	116.4
153	N	46.8	Very low	59.1	Low	174 Å²	174	58.2 Å²	58.2	93%	0.93	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-17.6	-178.2	-74.2	-18.1	0	0	0	113.3
154	D	42.5	Very low	60.6	Low	137 Å²	137	53.9 Å²	53.9	73%	0.733	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	132.1	169.5	-66.1	-50.4	0	0	0	107.3	E156	D154-E156 PolarHBondContact O-N 2.97Å
155	L	37.4	Very low	61.9	Low	119 Å²	119	53.8 Å²	53.8	62%	0.623	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	64	-172.3	-130.2	91.8	0	0	0	112.3	F150 N157	F150-L155 HydrophobicContact CD1-CD1 4.3Å; F150-L155 HydrophobicContact CD1-CG 4.33Å; F150-L155 HydrophobicContact CE1-CD1 3.96Å; F150-L155 HydrophobicContact CE1-CG 4.05Å; L155-N157 WeakPolarHBondContact CD2-ND2 3.48Å; L155-N157 PolarHBondContact O-N 2.95Å; L155-N157 VanDerWaalsContact O-N 3.09Å
156	E	38.9	Very low	63.2	Low	126 Å²	126	52.8 Å²	52.8	59%	0.589	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	78.5	164.1	-76.2	-169.5	174.1	0	0	107.8	I151 D154 V158	I151-E156 HydrophobicContact CB-CB 4.18Å; I151-E156 PolarHBondContact N-O 3.08Å; D154-E156 PolarHBondContact O-N 2.97Å; E156-V158 PolarHBondContact O-N 3.21Å
157	N	44.9	Very low	64.7	Low	5 Å²	5	52.4 Å²	52.4	3%	0.027	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	90.4	169.6	-80.8	-34.8	0	0	0	109.6	K148 M149 F150 L155 D159 E192	K148-N157 HydrophobicContact CB-CB 4.3Å; M149-N157 CarbonylContact O-C 3.56Å; M149-N157 WeakPolarHBondContact O-CA 3.48Å; F150-N157 WeakPolarHBondContact CD1-OD1 3.47Å; F150-N157 WeakPolarHBondContact CD2-OD1 3.36Å; F150-N157 WeakPolarHBondContact CE1-OD1 3.36Å; F150-N157 WeakPolarHBondContact CG-OD1 3.42Å; F150-N157 WeakPolarHBondContact CZ-OD1 3.42Å; L155-N157 WeakPolarHBondContact CD2-ND2 3.48Å; L155-N157 PolarHBondContact O-N 2.95Å; L155-N157 VanDerWaalsContact O-N 3.09Å; N157-D159 PolarHBondContact O-N 2.92Å; N157-E192 PolarHBondContact ND2-OE1 3.13Å
158	V	53.5	Low	66.4	Low	25 Å²	25	53.7 Å²	53.7	15%	0.152	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	109.2	174.3	-172.6	0	0	0	0	108.6	M149 I151 E156 E163	M149-V158 VanDerWaalsContact CB-O 3.3Å; M149-V158 WeakPolarHBondContact CB-O 3.43Å; M149-V158 HydrophobicContact CE-CB 3.78Å; M149-V158 HydrophobicContact CE-CG1 4.45Å; M149-V158 HydrophobicContact CE-CG2 4.17Å; M149-V158 PolarHBondContact N-O 3.34Å; M149-V158 PolarHBondContact O-N 3.06Å; I151-V158 HydrophobicContact CD1-CG2 3.91Å; E156-V158 PolarHBondContact O-N 3.21Å; V158-E163 HydrophobicContact CG1-CG 3.54Å; V158-E163 WeakPolarHBondContact CG1-OE1 3.36Å
159	D	73.2	Confident	68.1	Low	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	123.3	172.8	-174.5	-24.8	0	0	0	109.3	L140 Y147 N157 L161 A162 E163 L194	L140-D159 WeakPolarHBondContact CD1-OD2 3.18Å; Y147-D159 WeakPolarHBondContact O-CA 3.34Å; N157-D159 PolarHBondContact O-N 2.92Å; D159-L161 PolarHBondContact O-N 2.97Å; D159-L161 VanDerWaalsContact O-N 3.14Å; D159-L161 WeakPolarHBondContact OD1-CA 3.4Å; D159-L161 WeakPolarHBondContact OD1-CB 3.39Å; D159-L161 VanDerWaalsContact OD1-CG 3.29Å; D159-L161 WeakPolarHBondContact OD1-CG 3.27Å; D159-L161 PolarHBondContact OD1-N 2.99Å; D159-A162 HydrophobicContact CB-CB 3.84Å; D159-A162 WeakPolarHBondContact O-CA 3.28Å; D159-A162 WeakPolarHBondContact O-CB 3.31Å; D159-A162 PolarHBondContact O-N 3.17Å; D159-E163 PolarHBondContact O-N 2.79Å; D159-L194 HydrophobicContact CB-CD1 4.43Å
160	I	86.4	Confident	70	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-51	-37.4	175.1	-177.3	165.6	0	0	0	111.6	M14 L17 V119 Y147 A162 V164	M14-I160 HydrophobicContact CB-CD1 4.03Å; M14-I160 HydrophobicContact CG-CD1 3.65Å; M14-I160 HydrophobicContact SD-CD1 3.58Å; M14-I160 VanDerWaalsContact SD-CD1 3.58Å; L17-I160 HydrophobicContact CB-CD1 4.41Å; L17-I160 HydrophobicContact CB-CG1 4.04Å; L17-I160 HydrophobicContact CD1-CD1 4.15Å; L17-I160 HydrophobicContact CD1-CG1 4.03Å; V119-I160 HydrophobicContact CB-CD1 4.21Å; V119-I160 HydrophobicContact CG1-CD1 3.94Å; V119-I160 HydrophobicContact CG2-CD1 4.3Å; Y147-I160 HydrophobicContact CD1-CG2 4Å; I160-A162 VanDerWaalsContact C-N 3.33Å; I160-V164 HydrophobicContact CG1-CG2 4.35Å; I160-V164 WeakPolarHBondContact O-CB 3.42Å; I160-V164 WeakPolarHBondContact O-CG2 3.41Å; I160-V164 PolarHBondContact O-N 2.95Å
161	L	87.1	Confident	72.1	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-65.6	-40.8	177.7	-54.3	174.3	0	0	0	110.6	F116 V119 L120 F126 L140 D159 V164 L165	F116-L161 HydrophobicContact CB-CD2 4.28Å; F116-L161 HydrophobicContact CD1-CB 4.46Å; F116-L161 HydrophobicContact CD1-CD2 3.27Å; F116-L161 HydrophobicContact CD1-CG 4.46Å; F116-L161 HydrophobicContact CE1-CB 4.03Å; F116-L161 HydrophobicContact CE1-CD2 3.71Å; F116-L161 HydrophobicContact CG-CD2 3.87Å; V119-L161 HydrophobicContact CG2-CD2 4.41Å; L120-L161 HydrophobicContact CD1-CD2 4.45Å; L120-L161 HydrophobicContact CD2-CD1 4.4Å; L120-L161 HydrophobicContact CD2-CD2 4.22Å; L120-L161 HydrophobicContact CG-CD2 4.34Å; F126-L161 HydrophobicContact CD2-CD1 3.78Å; F126-L161 HydrophobicContact CE2-CD1 4.03Å; L140-L161 HydrophobicContact CD2-CD1 3.88Å; D159-L161 PolarHBondContact O-N 2.97Å; D159-L161 VanDerWaalsContact O-N 3.14Å; D159-L161 WeakPolarHBondContact OD1-CA 3.4Å; D159-L161 WeakPolarHBondContact OD1-CB 3.39Å; D159-L161 VanDerWaalsContact OD1-CG 3.29Å; D159-L161 WeakPolarHBondContact OD1-CG 3.27Å; D159-L161 PolarHBondContact OD1-N 2.99Å; L161-V164 PolarHBondContact O-N 2.82Å; L161-L165 WeakPolarHBondContact O-CG 3.4Å; L161-L165 PolarHBondContact O-N 2.89Å
162	A	90.3	Very high	74.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-68.9	-44.2	179.6	0	0	0	0	0	111.9	L138 D159 I160 V164 L165 L166 V175 L194 V195	L138-A162 HydrophobicContact CD1-CB 4.34Å; D159-A162 HydrophobicContact CB-CB 3.84Å; D159-A162 WeakPolarHBondContact O-CA 3.28Å; D159-A162 WeakPolarHBondContact O-CB 3.31Å; D159-A162 PolarHBondContact O-N 3.17Å; I160-A162 VanDerWaalsContact C-N 3.33Å; A162-V164 VanDerWaalsContact C-N 3.33Å; A162-V164 PolarHBondContact O-N 2.8Å; A162-L165 PolarHBondContact O-N 2.88Å; A162-L166 PolarHBondContact O-N 3.14Å; A162-V175 HydrophobicContact CB-CB 4.08Å; A162-V175 HydrophobicContact CB-CG1 3.73Å; A162-L194 HydrophobicContact CB-CB 3.82Å; A162-L194 HydrophobicContact CB-CD1 3.68Å; A162-L194 HydrophobicContact CB-CG 4.45Å; A162-V195 HydrophobicContact CB-CG1 3.72Å; A162-V195 WeakPolarHBondContact O-CG1 3.14Å
163	E	91.7	Very high	77.2	Confident	31 Å²	31	59.4 Å²	59.4	15%	0.145	30%	0.299	C	S	.	.	H	α-helix	trans	-58.5	-45.7	173.4	-76.8	-168	-106	0	0	111.6	L17 R19 V158 D159 L165 L166 D167 V195	L17-E163 HydrophobicContact CD2-CB 3.66Å; R19-E163 IonicContact NH1-OE2 3.2Å; R19-E163 IonicContact NH2-OE2 3.76Å; R19-E163 PolarHBondContact NH2-OE2 3.35Å; V158-E163 HydrophobicContact CG1-CG 3.54Å; V158-E163 WeakPolarHBondContact CG1-OE1 3.36Å; D159-E163 PolarHBondContact O-N 2.79Å; E163-L165 VanDerWaalsContact C-N 3.32Å; E163-L165 PolarHBondContact O-N 2.81Å; E163-L166 WeakPolarHBondContact O-CB 3.41Å; E163-L166 PolarHBondContact O-N 2.93Å; E163-L166 VanDerWaalsContact O-N 3.14Å; E163-D167 WeakPolarHBondContact O-CB 3.36Å; E163-D167 PolarHBondContact O-N 2.99Å; E163-V195 HydrophobicContact CG-CG2 4.46Å
164	V	92.9	Very high	79.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.2	-38.8	178.2	168.3	0	0	0	0	111.2	L17 Y107 A112 I115 F116 I160 L161 A162 L166 D167 K168	L17-V164 HydrophobicContact CD1-CG2 3.85Å; L17-V164 HydrophobicContact CD2-CG2 3.99Å; Y107-V164 HydrophobicContact CE2-CG2 4.38Å; A112-V164 HydrophobicContact CB-CG1 3.96Å; I115-V164 HydrophobicContact CB-CG1 4.1Å; I115-V164 HydrophobicContact CD1-CG1 3.93Å; I115-V164 HydrophobicContact CG2-CB 4.42Å; I115-V164 HydrophobicContact CG2-CG1 3.95Å; I115-V164 HydrophobicContact CG2-CG2 3.62Å; F116-V164 HydrophobicContact CD1-CG1 4.15Å; F116-V164 HydrophobicContact CE1-CB 3.71Å; F116-V164 HydrophobicContact CE1-CG1 3.43Å; F116-V164 VanDerWaalsContact CE1-CG1 3.43Å; F116-V164 HydrophobicContact CZ-CB 4.43Å; F116-V164 HydrophobicContact CZ-CG1 3.98Å; I160-V164 HydrophobicContact CG1-CG2 4.35Å; I160-V164 WeakPolarHBondContact O-CB 3.42Å; I160-V164 WeakPolarHBondContact O-CG2 3.41Å; I160-V164 PolarHBondContact O-N 2.95Å; L161-V164 PolarHBondContact O-N 2.82Å; A162-V164 VanDerWaalsContact C-N 3.33Å; A162-V164 PolarHBondContact O-N 2.8Å; V164-L166 VanDerWaalsContact C-N 3.34Å; V164-D167 PolarHBondContact O-N 3.24Å; V164-K168 HydrophobicContact CG1-CG 3.96Å; V164-K168 WeakPolarHBondContact O-CB 3.29Å; V164-K168 WeakPolarHBondContact O-CG 3.31Å; V164-K168 PolarHBondContact O-N 2.8Å
165	L	92.9	Very high	82	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-42.9	172.9	-72.1	-178	0	0	0	111.8	A112 F116 Y129 A136 L138 L161 A162 E163 M169 V175	A112-L165 HydrophobicContact CB-CD2 4.45Å; F116-L165 HydrophobicContact CE2-CD2 3.89Å; F116-L165 HydrophobicContact CE2-CG 4.49Å; F116-L165 HydrophobicContact CZ-CD2 3.55Å; F116-L165 HydrophobicContact CZ-CG 3.79Å; Y129-L165 HydrophobicContact CD1-CD1 4Å; Y129-L165 HydrophobicContact CD1-CD2 3.53Å; Y129-L165 HydrophobicContact CD1-CG 4.44Å; Y129-L165 HydrophobicContact CE1-CD2 3.32Å; Y129-L165 HydrophobicContact CE2-CD2 4.3Å; Y129-L165 HydrophobicContact CG-CD1 4.03Å; Y129-L165 HydrophobicContact CG-CD2 4.17Å; A136-L165 HydrophobicContact CB-CD1 4.09Å; L138-L165 HydrophobicContact CD1-CD1 4.45Å; L138-L165 HydrophobicContact CD2-CD1 3.36Å; L138-L165 HydrophobicContact CG-CD1 4.17Å; L161-L165 WeakPolarHBondContact O-CG 3.4Å; L161-L165 PolarHBondContact O-N 2.89Å; A162-L165 PolarHBondContact O-N 2.88Å; E163-L165 VanDerWaalsContact C-N 3.32Å; E163-L165 PolarHBondContact O-N 2.81Å; L165-M169 HydrophobicContact CB-SD 4.14Å; L165-M169 HydrophobicContact CD2-SD 3.73Å; L165-M169 HydrophobicContact CG-SD 4.42Å; L165-M169 WeakPolarHBondContact O-CB 3.18Å; L165-M169 WeakPolarHBondContact O-CG 3.38Å; L165-M169 PolarHBondContact O-N 3.07Å; L165-V175 HydrophobicContact CB-CG2 4.26Å; L165-V175 HydrophobicContact CD1-CG1 4.22Å
166	L	93.4	Very high	84.6	Confident	48 Å²	48	38.9 Å²	38.9	25%	0.251	19%	0.19	S	C	.	.	H	α-helix	trans	-63.1	-44.8	178.3	-169.2	66.1	0	0	0	111.5	A162 E163 V164 V175 V195	A162-L166 PolarHBondContact O-N 3.14Å; E163-L166 WeakPolarHBondContact O-CB 3.41Å; E163-L166 PolarHBondContact O-N 2.93Å; E163-L166 VanDerWaalsContact O-N 3.14Å; V164-L166 VanDerWaalsContact C-N 3.34Å; L166-V175 HydrophobicContact CB-CG2 4.28Å; L166-V195 HydrophobicContact CB-CG1 4.22Å; L166-V195 HydrophobicContact CD2-CG1 4.14Å; L166-V195 HydrophobicContact CD2-CG2 3.87Å
167	D	94.2	Very high	86.9	Confident	72 Å²	72	33.2 Å²	33.2	39%	0.385	16%	0.163	S	C	.	.	H	α-helix	trans	-67.8	-41.5	178.8	-82.4	12.3	0	0	0	113.1	R19 Y107 E163 V164	R19-D167 IonicContact CZ-OD2 2.77Å; R19-D167 IonicContact NE-OD2 3.63Å; R19-D167 PolarHBondContact NE-OD2 3.01Å; R19-D167 VanDerWaalsContact NH2-CG 3.34Å; R19-D167 IonicContact NH2-OD1 3.13Å; R19-D167 PolarHBondContact NH2-OD1 3.33Å; R19-D167 IonicContact NH2-OD2 2.72Å; R19-D167 PolarHBondContact NH2-OD2 3.03Å; Y107-D167 HydrophobicContact CE1-CB 4.12Å; Y107-D167 WeakPolarHBondContact CE1-OD2 3.3Å; Y107-D167 WeakPolarHBondContact OH-CB 3.24Å; Y107-D167 PolarHBondContact OH-OD2 2.89Å; E163-D167 WeakPolarHBondContact O-CB 3.36Å; E163-D167 PolarHBondContact O-N 2.99Å; V164-D167 PolarHBondContact O-N 3.24Å
168	K	93.4	Very high	88.6	Confident	42 Å²	42	35.5 Å²	35.5	18%	0.183	17%	0.173	C	C	.	.	H	α-helix	trans	-93.5	-12.3	-169.4	-62.5	-56.3	-171.6	-176.7	0	114.3	Y107 D108 W110 A112 I115 V164 P170	Y107-K168 HydrophobicContact CE1-CD 4.28Å; Y107-K168 VanDerWaalsContact CZ-CE 3.46Å; Y107-K168 PolarHBondContact O-NZ 2.71Å; D108-K168 IonicContact OD1-NZ 2.78Å; W110-K168 VanDerWaalsContact O-CE 3.27Å; W110-K168 WeakPolarHBondContact O-CE 3.26Å; W110-K168 PolarHBondContact O-NZ 2.95Å; A112-K168 HydrophobicContact CB-CB 3.98Å; A112-K168 HydrophobicContact CB-CG 4.27Å; I115-K168 HydrophobicContact CD1-CD 4.43Å; I115-K168 HydrophobicContact CD1-CG 4.28Å; V164-K168 HydrophobicContact CG1-CG 3.96Å; V164-K168 WeakPolarHBondContact O-CB 3.29Å; V164-K168 WeakPolarHBondContact O-CG 3.31Å; V164-K168 PolarHBondContact O-N 2.8Å; K168-P170 WeakPolarHBondContact O-CD 3.4Å
169	M	91.1	Very high	89.7	Confident	29 Å²	29	36.7 Å²	36.7	14%	0.143	18%	0.18	C	C	.	.			trans	-109.6	100.5	176.4	-62.4	173.6	58.5	0	0	110.1	Y129 C131 A136 L165 R171 C172	Y129-M169 HydrophobicContact CD2-SD 4.37Å; Y129-M169 HydrophobicContact CE2-CE 3.74Å; Y129-M169 HydrophobicContact CE2-SD 3.57Å; Y129-M169 VanDerWaalsContact CE2-SD 3.57Å; C131-M169 WeakPolarHBondContact SG-CE 3.26Å; A136-M169 HydrophobicContact CB-CE 4.44Å; A136-M169 HydrophobicContact CB-SD 4.38Å; L165-M169 HydrophobicContact CB-SD 4.14Å; L165-M169 HydrophobicContact CD2-SD 3.73Å; L165-M169 HydrophobicContact CG-SD 4.42Å; L165-M169 WeakPolarHBondContact O-CB 3.18Å; L165-M169 WeakPolarHBondContact O-CG 3.38Å; L165-M169 PolarHBondContact O-N 3.07Å; M169-R171 PolarHBondContact O-N 3.48Å; M169-C172 HydrophobicContact CB-CB 3.57Å; M169-C172 HydrophobicContact CE-CB 4.26Å; M169-C172 VanDerWaalsContact O-CB 3.32Å; M169-C172 WeakPolarHBondContact O-CB 3.44Å; M169-C172 PolarHBondContact O-N 3.15Å; M169-C172 HydrophobicContact SD-CB 4.41Å
170	P	87.6	Confident	89.3	Confident	135 Å²	135	42.6 Å²	42.6	88%	0.877	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.8	-175.1	-27.1	34.7	0	0	0	115.4	K168	K168-P170 WeakPolarHBondContact O-CD 3.4Å
171	R	92.2	Very high	87.9	Confident	196 Å²	196	46.2 Å²	46.2	74%	0.74	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-12.9	177.4	-67.1	-176.9	66.9	177.9	-0.5	113.1	H134 M169	H134-R171 VanDerWaalsContact CA-O 3.23Å; H134-R171 WeakPolarHBondContact CA-O 3.17Å; H134-R171 WeakPolarHBondContact CB-O 3.23Å; M169-R171 PolarHBondContact O-N 3.48Å
172	C	95.2	Very high	86.6	Confident	10 Å²	10	49.3 Å²	49.3	7%	0.068	25%	0.246	C	C	.	.			trans	-75.2	132.8	-179.3	-171.6	0	0	0	0	109.4	H134 M169	H134-C172 CarbonylContact O-C 3.51Å; H134-C172 WeakPolarHBondContact O-CA 3.19Å; M169-C172 HydrophobicContact CB-CB 3.57Å; M169-C172 HydrophobicContact CE-CB 4.26Å; M169-C172 VanDerWaalsContact O-CB 3.32Å; M169-C172 WeakPolarHBondContact O-CB 3.44Å; M169-C172 PolarHBondContact O-N 3.15Å; M169-C172 HydrophobicContact SD-CB 4.41Å
173	K	96.3	Very high	84.8	Confident	97 Å²	97	55.7 Å²	55.7	42%	0.422	28%	0.276	S	S	.	.			trans	-122.5	-20.4	173.1	-63.7	-172.6	173.7	-162.2	0	112.7	H134 G196 E197 L199	H134-K173 HydrophobicContact CB-CB 4.24Å; H134-K173 HydrophobicContact CB-CD 4.45Å; H134-K173 HydrophobicContact CB-CG 4.1Å; H134-K173 PolarHBondContact O-N 3Å; K173-G196 CarbonylContact O-C 3.47Å; K173-G196 WeakPolarHBondContact O-CA 3.35Å; K173-E197 PolarHBondContact O-N 3.4Å; K173-L199 HydrophobicContact CD-CD1 4.18Å
174	T	95.6	Very high	83.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	126.3	-170.1	-52	0	0	0	0	107.8	H134 I135 A136 I176 E197 L199 Y200	H134-T174 PolarHBondContact O-N 3.33Å; I135-T174 CarbonylContact C-O 3.5Å; I135-T174 WeakPolarHBondContact CA-O 3.42Å; A136-T174 PolarHBondContact N-O 3.06Å; T174-I176 HydrophobicContact CG2-CG2 4Å; T174-E197 WeakPolarHBondContact CB-O 3.42Å; T174-E197 VanDerWaalsContact CG2-O 3.25Å; T174-E197 WeakPolarHBondContact CG2-O 3.21Å; T174-E197 PolarHBondContact OG1-O 3.22Å; T174-L199 PolarHBondContact OG1-O 2.87Å; T174-Y200 HydrophobicContact CG2-CD1 4.29Å; T174-Y200 HydrophobicContact CG2-CE1 3.93Å
175	V	93.6	Very high	82.2	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	131.3	171.8	-166.7	0	0	0	0	109	A136 L138 A162 L165 L166 L194 V195	A136-V175 HydrophobicContact CB-CG1 4.18Å; A136-V175 HydrophobicContact CB-CG2 4.23Å; A136-V175 WeakPolarHBondContact O-CA 3.17Å; L138-V175 HydrophobicContact CD1-CG1 4.09Å; L138-V175 HydrophobicContact CG-CG1 4.03Å; A162-V175 HydrophobicContact CB-CB 4.08Å; A162-V175 HydrophobicContact CB-CG1 3.73Å; L165-V175 HydrophobicContact CB-CG2 4.26Å; L165-V175 HydrophobicContact CD1-CG1 4.22Å; L166-V175 HydrophobicContact CB-CG2 4.28Å; V175-L194 HydrophobicContact CG1-CD1 4.18Å; V175-L194 PolarHBondContact O-N 2.85Å; V175-V195 HydrophobicContact CB-CG1 3.87Å; V175-V195 HydrophobicContact CG2-CG1 3.74Å; V175-V195 PolarHBondContact N-O 3.21Å; V175-V195 PolarHBondContact O-N 3.42Å
176	I	91.6	Very high	81.1	Confident	0 Å²	0	68 Å²	68	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	152.5	-179.8	61.6	171.5	0	0	0	110.2	I135 A136 H137 L138 T174 F191 E192 Y200 F215	I135-I176 HydrophobicContact CG2-CD1 3.78Å; I135-I176 HydrophobicContact CG2-CG1 3.86Å; I135-I176 HydrophobicContact CG2-CG2 4.42Å; A136-I176 PolarHBondContact O-N 3.2Å; H137-I176 HydrophobicContact CB-CD1 4.3Å; H137-I176 HydrophobicContact CB-CG1 4.14Å; L138-I176 WeakPolarHBondContact CB-O 3.48Å; L138-I176 PolarHBondContact N-O 3.48Å; T174-I176 HydrophobicContact CG2-CG2 4Å; I176-F191 HydrophobicContact CB-CB 4.23Å; I176-F191 HydrophobicContact CB-CD2 3.87Å; I176-F191 HydrophobicContact CB-CG 4.22Å; I176-F191 HydrophobicContact CD1-CB 4.06Å; I176-F191 HydrophobicContact CD1-CD1 3.9Å; I176-F191 HydrophobicContact CD1-CD2 3.92Å; I176-F191 HydrophobicContact CD1-CE1 4.29Å; I176-F191 HydrophobicContact CD1-CE2 4.33Å; I176-F191 HydrophobicContact CD1-CG 3.69Å; I176-F191 HydrophobicContact CD1-CZ 4.49Å; I176-F191 HydrophobicContact CG1-CD2 4.49Å; I176-F191 HydrophobicContact CG1-CG 4.47Å; I176-F191 HydrophobicContact CG2-CD2 3.69Å; I176-F191 HydrophobicContact CG2-CE2 3.97Å; I176-F191 HydrophobicContact CG2-CG 4.47Å; I176-E192 CarbonylContact C-O 3.6Å; I176-E192 WeakPolarHBondContact CA-O 3.17Å; I176-E192 WeakPolarHBondContact CB-O 3.17Å; I176-Y200 HydrophobicContact CG2-CE1 4.11Å; I176-F215 HydrophobicContact CD1-CD1 3.67Å; I176-F215 HydrophobicContact CD1-CE1 3.4Å
177	N	87.1	Confident	80	Confident	6 Å²	6	68.9 Å²	68.9	3%	0.032	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.9	168.6	-179.8	54.6	0	0	0	110.4	L138 L140 K148 V179 F191 E192 L194	L138-N177 PolarHBondContact O-OD1 3.37Å; L140-N177 WeakPolarHBondContact CB-OD1 3.38Å; L140-N177 HydrophobicContact CD1-CB 4.17Å; L140-N177 WeakPolarHBondContact CG-OD1 3.27Å; L140-N177 PolarHBondContact N-OD1 3.02Å; K148-N177 PolarHBondContact NZ-ND2 3.48Å; N177-V179 PolarHBondContact O-N 2.99Å; N177-F191 CarbonylContact O-C 3.59Å; N177-F191 WeakPolarHBondContact O-CA 3.01Å; N177-F191 VanDerWaalsContact O-CB 3.23Å; N177-F191 WeakPolarHBondContact O-CB 3.18Å; N177-E192 HydrophobicContact CB-CB 4.46Å; N177-E192 PolarHBondContact N-O 2.83Å; N177-E192 PolarHBondContact O-N 2.79Å; N177-L194 HydrophobicContact CB-CD1 3.93Å; N177-L194 HydrophobicContact CB-CD2 3.93Å; N177-L194 HydrophobicContact CB-CG 4.08Å
178	K	82	Confident	78.6	Confident	53 Å²	53	66.7 Å²	66.7	23%	0.23	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	135	169.2	-166.4	175.1	170.5	-114.5	0	110.7	H137 L138 D180 L189	H137-K178 WeakPolarHBondContact NE2-CB 3.5Å; L138-K178 WeakPolarHBondContact O-CB 3.49Å; L138-K178 PolarHBondContact O-N 3.19Å; K178-D180 IonicContact NZ-OD1 2.72Å; K178-D180 PolarHBondContact NZ-OD1 3.35Å; K178-L189 HydrophobicContact CD-CD1 4.25Å; K178-L189 HydrophobicContact CG-CD1 4Å; K178-L189 HydrophobicContact CG-CD2 4.33Å; K178-L189 HydrophobicContact CG-CG 4.43Å
179	V	76.4	Confident	77.5	Confident	50 Å²	50	66 Å²	66	30%	0.303	32%	0.319	S	S	.	.			trans	-103.3	133.9	163.3	-177.2	0	0	0	0	107.1	N177 I181 K190 E192	N177-V179 PolarHBondContact O-N 2.99Å; V179-I181 HydrophobicContact CG1-CB 4.4Å; V179-I181 HydrophobicContact CG1-CD1 4.39Å; V179-I181 HydrophobicContact CG1-CG1 4.27Å; V179-I181 PolarHBondContact O-N 2.88Å; V179-K190 HydrophobicContact CB-CB 4.28Å; V179-K190 WeakPolarHBondContact CB-O 3.49Å; V179-K190 PolarHBondContact N-O 2.77Å; V179-E192 HydrophobicContact CG2-CB 4.34Å
180	D	63.8	Low	76.9	Confident	124 Å²	124	69.7 Å²	69.7	66%	0.663	33%	0.334	S	S	*	.	S	Bend	trans	-72.7	10	-171.3	-85.9	-31.4	0	0	0	115.2	K178	K178-D180 IonicContact NZ-OD1 2.72Å; K178-D180 PolarHBondContact NZ-OD1 3.35Å
181	I	57.9	Low	76.8	Confident	78 Å²	78	65 Å²	65	40%	0.4	30%	0.3	S	S	.	.			trans	-100.5	107.3	-178.4	-57.3	176.3	0	0	0	109.6	V179 E183	V179-I181 HydrophobicContact CG1-CB 4.4Å; V179-I181 HydrophobicContact CG1-CD1 4.39Å; V179-I181 HydrophobicContact CG1-CG1 4.27Å; V179-I181 PolarHBondContact O-N 2.88Å; I181-E183 HydrophobicContact CG2-CB 4.01Å; I181-E183 HydrophobicContact CG2-CG 3.37Å; I181-E183 VanDerWaalsContact CG2-OE1 3.27Å; I181-E183 WeakPolarHBondContact CG2-OE1 3.13Å
182	I	59.7	Low	76.6	Confident	64 Å²	64	57.4 Å²	57.4	33%	0.328	27%	0.273	S	S	.	.			trans	-102.7	96.8	164.4	-54.2	173.5	0	0	0	106.7	R187	I182-R187 HydrophobicContact CG2-CB 4.38Å
183	E	53.1	Low	76.3	Confident	135 Å²	135	58.4 Å²	58.4	63%	0.631	28%	0.277	S	S	*	.			trans	-102.8	-28.9	-172.6	-99.5	167.5	-172.3	0	0	114.4	I181 K190	I181-E183 HydrophobicContact CG2-CB 4.01Å; I181-E183 HydrophobicContact CG2-CG 3.37Å; I181-E183 VanDerWaalsContact CG2-OE1 3.27Å; I181-E183 WeakPolarHBondContact CG2-OE1 3.13Å; E183-K190 IonicContact OE2-NZ 2.71Å; E183-K190 PolarHBondContact OE2-NZ 3.15Å
184	N	62.1	Low	75.9	Confident	65 Å²	65	54.3 Å²	54.3	35%	0.348	26%	0.259	S	S	.	.	S	Bend	trans	-93.6	155.2	-168	71.6	-2.3	0	0	0	113.6	Y186 R187 N188	N184-Y186 PolarHBondContact O-N 3.01Å; N184-R187 PolarHBondContact O-N 3.47Å; N184-R187 WeakPolarHBondContact OD1-CA 3.25Å; N184-R187 PolarHBondContact OD1-N 2.94Å; N184-N188 PolarHBondContact OD1-N 3.36Å
185	E	66.7	Low	75.8	Confident	134 Å²	134	55.7 Å²	55.7	63%	0.626	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-30.9	175.2	63.1	-169.1	159.1	0	0	112.8	R187 L267	E185-R187 VanDerWaalsContact C-N 3.29Å; E185-R187 PolarHBondContact O-N 2.84Å; E185-L267 HydrophobicContact CB-CD2 4.4Å; E185-L267 HydrophobicContact CG-CD2 4.34Å
186	Y	70.1	Confident	75.7	Confident	89 Å²	89	57.3 Å²	57.3	35%	0.349	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-6.4	177	-52.4	-57.6	0	0	0	114.4	N184 N188 L267 N268	N184-Y186 PolarHBondContact O-N 3.01Å; Y186-N188 PolarHBondContact O-N 3.44Å; Y186-N188 VanDerWaalsContact O-N 3.15Å; Y186-N188 PolarHBondContact O-OD1 2.74Å; Y186-L267 HydrophobicContact CD1-CG 4.48Å; Y186-L267 HydrophobicContact CE1-CD2 4.33Å; Y186-L267 HydrophobicContact CE1-CG 4.04Å; Y186-N268 HydrophobicContact CD1-CB 3.54Å; Y186-N268 HydrophobicContact CE1-CB 4.23Å; Y186-N268 HydrophobicContact CG-CB 4.15Å
187	R	69.4	Low	75.8	Confident	68 Å²	68	62.3 Å²	62.3	26%	0.257	31%	0.308	S	S	.	.			trans	57.3	26.1	179.9	-58.2	-80.9	-71.5	174.9	-2.1	114.1	I182 N184 E185 L189 L324	I182-R187 HydrophobicContact CG2-CB 4.38Å; N184-R187 PolarHBondContact O-N 3.47Å; N184-R187 WeakPolarHBondContact OD1-CA 3.25Å; N184-R187 PolarHBondContact OD1-N 2.94Å; E185-R187 VanDerWaalsContact C-N 3.29Å; E185-R187 PolarHBondContact O-N 2.84Å; R187-L189 PolarHBondContact O-N 2.81Å; R187-L324 HydrophobicContact CG-CD1 4.05Å
188	N	66	Low	76.1	Confident	25 Å²	25	70.5 Å²	70.5	13%	0.134	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-63.1	130	176.1	-66.9	-11.1	0	0	0	108.8	N184 Y186 K190 K217	N184-N188 PolarHBondContact OD1-N 3.36Å; Y186-N188 PolarHBondContact O-N 3.44Å; Y186-N188 VanDerWaalsContact O-N 3.15Å; Y186-N188 PolarHBondContact O-OD1 2.74Å; N188-K190 PolarHBondContact O-N 3.47Å; N188-K217 VanDerWaalsContact CG-O 3.31Å; N188-K217 PolarHBondContact ND2-O 2.83Å; N188-K217 PolarHBondContact OD1-O 2.85Å
189	L	70.4	Confident	76.8	Confident	28 Å²	28	71.1 Å²	71.1	15%	0.147	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-68.2	118.7	177.3	-169.9	74.4	0	0	0	108.5	H137 K178 R187 F191 F215	H137-L189 WeakPolarHBondContact NE2-CD2 3.42Å; K178-L189 HydrophobicContact CD-CD1 4.25Å; K178-L189 HydrophobicContact CG-CD1 4Å; K178-L189 HydrophobicContact CG-CD2 4.33Å; K178-L189 HydrophobicContact CG-CG 4.43Å; R187-L189 PolarHBondContact O-N 2.81Å; L189-F191 VanDerWaalsContact O-CD1 3.26Å; L189-F191 WeakPolarHBondContact O-CD1 3.47Å; L189-F215 HydrophobicContact CD2-CE1 4.16Å; L189-F215 HydrophobicContact CD2-CZ 4.04Å
190	K	77.9	Confident	77.7	Confident	106 Å²	106	70.7 Å²	70.7	46%	0.461	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-72.3	131	165.1	-73.2	-174.9	175.4	175.8	0	108.4	V179 E183 N188	V179-K190 HydrophobicContact CB-CB 4.28Å; V179-K190 WeakPolarHBondContact CB-O 3.49Å; V179-K190 PolarHBondContact N-O 2.77Å; E183-K190 IonicContact OE2-NZ 2.71Å; E183-K190 PolarHBondContact OE2-NZ 3.15Å; N188-K190 PolarHBondContact O-N 3.47Å
191	F	85.7	Confident	79.3	Confident	37 Å²	37	68.4 Å²	68.4	16%	0.162	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	152.1	175.1	54.1	-102.8	0	0	0	110.2	I176 N177 L189 Y200 F215	I176-F191 HydrophobicContact CB-CB 4.23Å; I176-F191 HydrophobicContact CB-CD2 3.87Å; I176-F191 HydrophobicContact CB-CG 4.22Å; I176-F191 HydrophobicContact CD1-CB 4.06Å; I176-F191 HydrophobicContact CD1-CD1 3.9Å; I176-F191 HydrophobicContact CD1-CD2 3.92Å; I176-F191 HydrophobicContact CD1-CE1 4.29Å; I176-F191 HydrophobicContact CD1-CE2 4.33Å; I176-F191 HydrophobicContact CD1-CG 3.69Å; I176-F191 HydrophobicContact CD1-CZ 4.49Å; I176-F191 HydrophobicContact CG1-CD2 4.49Å; I176-F191 HydrophobicContact CG1-CG 4.47Å; I176-F191 HydrophobicContact CG2-CD2 3.69Å; I176-F191 HydrophobicContact CG2-CE2 3.97Å; I176-F191 HydrophobicContact CG2-CG 4.47Å; N177-F191 CarbonylContact O-C 3.59Å; N177-F191 WeakPolarHBondContact O-CA 3.01Å; N177-F191 VanDerWaalsContact O-CB 3.23Å; N177-F191 WeakPolarHBondContact O-CB 3.18Å; L189-F191 VanDerWaalsContact O-CD1 3.26Å; L189-F191 WeakPolarHBondContact O-CD1 3.47Å; F191-Y200 AromaticContact CE2-CD1 3.82Å; F191-Y200 HydrophobicContact CE2-CD1 3.82Å; F191-Y200 AromaticContact CE2-CE1 3.52Å; F191-Y200 HydrophobicContact CE2-CE1 3.52Å; F191-Y200 HydrophobicContact CE2-CG 4.46Å; F191-Y200 AromaticContact CE2-CZ 3.93Å; F191-Y200 AromaticContact CZ-CD1 3.85Å; F191-Y200 HydrophobicContact CZ-CD1 3.85Å; F191-Y200 HydrophobicContact CZ-CE1 4.04Å; F191-Y200 HydrophobicContact CZ-CG 4.2Å; F191-F215 HydrophobicContact CD1-CD1 4.2Å; F191-F215 HydrophobicContact CD1-CE1 4.11Å; F191-F215 AromaticContact CE1-CD1 3.73Å; F191-F215 HydrophobicContact CE1-CD1 3.73Å; F191-F215 HydrophobicContact CE1-CE1 4.1Å; F191-F215 HydrophobicContact CZ-CD1 4.32Å
192	E	87.1	Confident	81.2	Confident	36 Å²	36	65.1 Å²	65.1	17%	0.168	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	132.7	170.4	-180	-177.9	-163.4	0	0	108.3	K148 N157 I176 N177 V179 L194	K148-E192 IonicContact NZ-OE2 3.54Å; K148-E192 PolarHBondContact NZ-OE2 2.95Å; N157-E192 PolarHBondContact ND2-OE1 3.13Å; I176-E192 CarbonylContact C-O 3.6Å; I176-E192 WeakPolarHBondContact CA-O 3.17Å; I176-E192 WeakPolarHBondContact CB-O 3.17Å; N177-E192 HydrophobicContact CB-CB 4.46Å; N177-E192 PolarHBondContact N-O 2.83Å; N177-E192 PolarHBondContact O-N 2.79Å; V179-E192 HydrophobicContact CG2-CB 4.34Å; E192-L194 HydrophobicContact CG-CD2 4.08Å
193	H	89.8	Confident	83	Confident	32 Å²	32	68.1 Å²	68.1	15%	0.148	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	128.1	167.2	178.5	87.2	0	0	0	109.2	G196	H193-G196 PolarHBondContact CE1-O 3.4Å; H193-G196 VanDerWaalsContact CE1-O 3.31Å; H193-G196 PolarHBondContact NE2-O 3.45Å
194	L	88.7	Confident	85.1	Confident	11 Å²	11	62.4 Å²	62.4	6%	0.058	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-58.2	-178.8	-57.2	179.1	0	0	0	111.6	L138 L140 D159 A162 V175 N177 E192	L138-L194 HydrophobicContact CD1-CD1 3.6Å; L138-L194 HydrophobicContact CG-CD1 4.37Å; L140-L194 HydrophobicContact CD1-CD1 4.38Å; D159-L194 HydrophobicContact CB-CD1 4.43Å; A162-L194 HydrophobicContact CB-CB 3.82Å; A162-L194 HydrophobicContact CB-CD1 3.68Å; A162-L194 HydrophobicContact CB-CG 4.45Å; V175-L194 HydrophobicContact CG1-CD1 4.18Å; V175-L194 PolarHBondContact O-N 2.85Å; N177-L194 HydrophobicContact CB-CD1 3.93Å; N177-L194 HydrophobicContact CB-CD2 3.93Å; N177-L194 HydrophobicContact CB-CG 4.08Å; E192-L194 HydrophobicContact CG-CD2 4.08Å
195	V	91.7	Very high	86.8	Confident	28 Å²	28	67.6 Å²	67.6	17%	0.17	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	159.4	-175.8	71	0	0	0	0	111.4	A162 E163 L166 V175	A162-V195 HydrophobicContact CB-CG1 3.72Å; A162-V195 WeakPolarHBondContact O-CG1 3.14Å; E163-V195 HydrophobicContact CG-CG2 4.46Å; L166-V195 HydrophobicContact CB-CG1 4.22Å; L166-V195 HydrophobicContact CD2-CG1 4.14Å; L166-V195 HydrophobicContact CD2-CG2 3.87Å; V175-V195 HydrophobicContact CB-CG1 3.87Å; V175-V195 HydrophobicContact CG2-CG1 3.74Å; V175-V195 PolarHBondContact N-O 3.21Å; V175-V195 PolarHBondContact O-N 3.42Å
196	G	92.3	Very high	88.3	Confident	34 Å²	34	61.9 Å²	61.9	35%	0.351	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	93	-163.3	178	0	0	0	0	0	112.8	K173 H193	K173-G196 CarbonylContact O-C 3.47Å; K173-G196 WeakPolarHBondContact O-CA 3.35Å; H193-G196 PolarHBondContact CE1-O 3.4Å; H193-G196 VanDerWaalsContact CE1-O 3.31Å; H193-G196 PolarHBondContact NE2-O 3.45Å
197	E	94.2	Very high	89.5	Confident	106 Å²	106	61.3 Å²	61.3	50%	0.495	28%	0.283	S	S	.	.			trans	-76.2	144.5	-179.5	-59.6	174.1	-139.4	0	0	110.4	K173 T174 L199	K173-E197 PolarHBondContact O-N 3.4Å; T174-E197 WeakPolarHBondContact CB-O 3.42Å; T174-E197 VanDerWaalsContact CG2-O 3.25Å; T174-E197 WeakPolarHBondContact CG2-O 3.21Å; T174-E197 PolarHBondContact OG1-O 3.22Å; E197-L199 HydrophobicContact CB-CD1 4.11Å; E197-L199 HydrophobicContact CB-CG 3.88Å; E197-L199 PolarHBondContact O-N 2.82Å; E197-L199 WeakPolarHBondContact OE2-CD1 3.41Å
198	R	93.6	Very high	90.9	Very high	177 Å²	177	60.7 Å²	60.7	67%	0.668	30%	0.298	S	S	*	.			trans	-79.6	56.1	174.4	-67.1	-179.6	178.5	-96.6	1.1	111.8	Y200	R198-Y200 HydrophobicContact CB-CE2 4.35Å
199	L	95.4	Very high	92.4	Very high	67 Å²	67	61.3 Å²	61.3	35%	0.351	30%	0.3	S	S	.	.			trans	-101.4	113	176.5	-62.2	-179.1	0	0	0	109.5	H134 K173 T174 E197	H134-L199 PolarHBondContact CE1-O 3.11Å; H134-L199 VanDerWaalsContact CE1-O 3.27Å; K173-L199 HydrophobicContact CD-CD1 4.18Å; T174-L199 PolarHBondContact OG1-O 2.87Å; E197-L199 HydrophobicContact CB-CD1 4.11Å; E197-L199 HydrophobicContact CB-CG 3.88Å; E197-L199 PolarHBondContact O-N 2.82Å; E197-L199 WeakPolarHBondContact OE2-CD1 3.41Å
200	Y	95.7	Very high	93.8	Very high	41 Å²	41	61 Å²	61	16%	0.161	30%	0.299	C	S	.	.			trans	-109.8	-13.9	178.6	-51.5	-57.1	0	0	0	113.2	T174 I176 F191 R198 T202 D214 F215	T174-Y200 HydrophobicContact CG2-CD1 4.29Å; T174-Y200 HydrophobicContact CG2-CE1 3.93Å; I176-Y200 HydrophobicContact CG2-CE1 4.11Å; F191-Y200 AromaticContact CE2-CD1 3.82Å; F191-Y200 HydrophobicContact CE2-CD1 3.82Å; F191-Y200 AromaticContact CE2-CE1 3.52Å; F191-Y200 HydrophobicContact CE2-CE1 3.52Å; F191-Y200 HydrophobicContact CE2-CG 4.46Å; F191-Y200 AromaticContact CE2-CZ 3.93Å; F191-Y200 AromaticContact CZ-CD1 3.85Å; F191-Y200 HydrophobicContact CZ-CD1 3.85Å; F191-Y200 HydrophobicContact CZ-CE1 4.04Å; F191-Y200 HydrophobicContact CZ-CG 4.2Å; R198-Y200 HydrophobicContact CB-CE2 4.35Å; Y200-T202 PolarHBondContact O-N 3.06Å; Y200-D214 VanDerWaalsContact CB-OD1 3.26Å; Y200-D214 WeakPolarHBondContact CB-OD1 3.44Å; Y200-F215 PolarHBondContact O-N 2.81Å
201	V	97.9	Very high	94.8	Very high	76 Å²	76	56 Å²	56	46%	0.461	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	121.8	167.9	179.6	0	0	0	0	109.1	H134 L213 D214 W274	H134-V201 PolarHBondContact NE2-O 3.47Å; V201-L213 CarbonylContact C-O 3.52Å; V201-L213 VanDerWaalsContact CA-O 3.31Å; V201-L213 WeakPolarHBondContact CA-O 3.47Å; V201-D214 HydrophobicContact CG2-CB 4.01Å; V201-W274 HydrophobicContact CG1-CH2 3.7Å; V201-W274 HydrophobicContact CG1-CZ2 4.46Å; V201-W274 HydrophobicContact CG1-CZ3 4.37Å; V201-W274 HydrophobicContact CG2-CH2 4.16Å; V201-W274 HydrophobicContact CG2-CZ2 4.19Å
202	T	97.5	Very high	95.4	Very high	8 Å²	8	54.7 Å²	54.7	5%	0.049	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	165.1	-173.8	-170	0	0	0	0	111.2	I132 G133 H134 I135 Y200 D212 L213	I132-T202 HydrophobicContact CG2-CG2 3.81Å; I132-T202 PolarHBondContact O-OG1 3.02Å; G133-T202 WeakPolarHBondContact CA-OG1 3.39Å; H134-T202 PolarHBondContact N-OG1 3.11Å; I135-T202 HydrophobicContact CD1-CG2 3.95Å; Y200-T202 PolarHBondContact O-N 3.06Å; T202-D212 WeakPolarHBondContact O-CA 3.42Å; T202-L213 HydrophobicContact CG2-CD1 3.8Å; T202-L213 HydrophobicContact CG2-CG 4.21Å; T202-L213 PolarHBondContact N-O 3.45Å; T202-L213 PolarHBondContact O-N 2.55Å
203	R	97.8	Very high	95.9	Very high	127 Å²	127	53 Å²	53	48%	0.479	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.2	175.9	178.1	169.2	-72.1	-179.5	1.2	110.4	G133 V210 F211 D212	G133-R203 WeakPolarHBondContact CA-O 3.44Å; R203-V210 VanDerWaalsContact CD-CG1 3.47Å; R203-V210 HydrophobicContact CG-CG1 3.58Å; R203-F211 CarbonylContact C-O 3.52Å; R203-F211 WeakPolarHBondContact CA-O 3.43Å; R203-D212 WeakPolarHBondContact CB-OD1 3.47Å; R203-D212 WeakPolarHBondContact CG-OD1 3.42Å; R203-D212 IonicContact CZ-OD1 2.75Å; R203-D212 IonicContact CZ-OD2 3.53Å; R203-D212 IonicContact NE-OD1 3.54Å; R203-D212 PolarHBondContact NE-OD1 2.9Å; R203-D212 IonicContact NE-OD2 2.71Å; R203-D212 IonicContact NH2-OD1 3.52Å; R203-D212 PolarHBondContact NH2-OD1 3.2Å; R203-D212 VanDerWaalsContact NH2-OD1 3.1Å; R203-D212 IonicContact NH2-OD2 3.48Å; R203-D212 PolarHBondContact NH2-OD2 3.31Å
204	V	97.3	Very high	96.2	Very high	16 Å²	16	52.3 Å²	52.3	10%	0.097	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	158.9	175.9	-62.3	0	0	0	0	111.3	I132 V210 F211 L213 W220	I132-V204 HydrophobicContact CB-CG1 4.46Å; I132-V204 HydrophobicContact CG2-CG1 3.59Å; V204-V210 WeakPolarHBondContact O-CA 3.37Å; V204-F211 HydrophobicContact CG2-CB 3.77Å; V204-F211 HydrophobicContact CG2-CD2 4.4Å; V204-F211 PolarHBondContact N-O 2.9Å; V204-F211 PolarHBondContact O-N 3.27Å; V204-L213 HydrophobicContact CG2-CD2 3.99Å; V204-W220 HydrophobicContact CB-CZ2 4.33Å; V204-W220 HydrophobicContact CG2-CD2 4.42Å; V204-W220 HydrophobicContact CG2-CH2 3.92Å; V204-W220 HydrophobicContact CG2-CZ2 3.45Å; V204-W220 VanDerWaalsContact CG2-CZ2 3.45Å
205	R	97.3	Very high	96.4	Very high	173 Å²	173	52 Å²	52	65%	0.653	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	129	170.5	-178.7	178.9	-64.7	-77.2	1.2	108.5	G208 H209	R205-G208 PolarHBondContact NH1-O 2.93Å; R205-H209 CarbonylContact C-O 3.6Å; R205-H209 WeakPolarHBondContact CA-O 3.47Å; R205-H209 WeakPolarHBondContact CG-O 3.47Å
206	E	97.8	Very high	96.5	Very high	15 Å²	15	52.6 Å²	52.6	7%	0.07	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	130.1	175.1	-171.9	-177.6	79.1	0	0	108.6	G208 H209 F211 W220 G225 H228	E206-G208 PolarHBondContact O-N 2.91Å; E206-H209 PolarHBondContact N-O 2.97Å; E206-H209 PolarHBondContact O-N 2.98Å; E206-F211 HydrophobicContact CB-CD2 4.44Å; E206-F211 HydrophobicContact CB-CE2 4.04Å; E206-W220 HydrophobicContact CB-CH2 4.2Å; E206-W220 HydrophobicContact CB-CZ2 4.2Å; E206-G225 WeakPolarHBondContact OE2-CA 3.35Å; E206-G225 PolarHBondContact OE2-N 3.45Å; E206-H228 VanDerWaalsContact CD-ND1 3.34Å; E206-H228 IonicContact OE1-CE1 3.82Å; E206-H228 IonicContact OE1-CG 3.33Å; E206-H228 IonicContact OE1-ND1 3.92Å; E206-H228 PolarHBondContact OE1-ND1 2.85Å; E206-H228 IonicContact OE2-CE1 2.71Å; E206-H228 IonicContact OE2-ND1 2.85Å; E206-H228 PolarHBondContact OE2-ND1 2.92Å
207	N	97	Very high	96.5	Very high	77 Å²	77	55.1 Å²	55.1	41%	0.412	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	37.5	175.8	-58.2	-34.7	0	0	0	114.8	H209 G225 A229	N207-H209 VanDerWaalsContact C-N 3.32Å; N207-H209 PolarHBondContact O-CD2 3.17Å; N207-H209 VanDerWaalsContact O-CD2 3.26Å; N207-H209 PolarHBondContact O-N 3.4Å; N207-G225 PolarHBondContact ND2-O 3.47Å; N207-A229 PolarHBondContact ND2-N 3.29Å
208	G	97.6	Very high	96.5	Very high	55 Å²	55	50.1 Å²	50.1	57%	0.567	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.1	-14.3	-179.2	0	0	0	0	0	115.1	R205 E206	R205-G208 PolarHBondContact NH1-O 2.93Å; E206-G208 PolarHBondContact O-N 2.91Å
209	H	98.5	Very high	96.4	Very high	38 Å²	38	46.3 Å²	46.3	18%	0.176	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	154.2	-178.7	-59.1	-74	0	0	0	112.3	R205 E206 N207 F211 I253 A257 N282	R205-H209 CarbonylContact C-O 3.6Å; R205-H209 WeakPolarHBondContact CA-O 3.47Å; R205-H209 WeakPolarHBondContact CG-O 3.47Å; E206-H209 PolarHBondContact N-O 2.97Å; E206-H209 PolarHBondContact O-N 2.98Å; N207-H209 VanDerWaalsContact C-N 3.32Å; N207-H209 PolarHBondContact O-CD2 3.17Å; N207-H209 VanDerWaalsContact O-CD2 3.26Å; N207-H209 PolarHBondContact O-N 3.4Å; H209-F211 HydrophobicContact CB-CE2 3.65Å; H209-F211 HydrophobicContact CB-CZ 3.81Å; H209-I253 HydrophobicContact CB-CG2 4.24Å; H209-A257 VanDerWaalsContact CE1-CB 3.42Å; H209-A257 WeakPolarHBondContact CE1-CB 3.38Å; H209-N282 WeakPolarHBondContact CA-OD1 3.3Å
210	V	98.5	Very high	96.3	Very high	21 Å²	21	44.1 Å²	44.1	13%	0.127	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.6	-178.4	-179.9	0	0	0	0	109.9	R203 V204 N282	R203-V210 VanDerWaalsContact CD-CG1 3.47Å; R203-V210 HydrophobicContact CG-CG1 3.58Å; V204-V210 WeakPolarHBondContact O-CA 3.37Å; V210-N282 PolarHBondContact N-OD1 3.14Å; V210-N282 PolarHBondContact O-ND2 2.97Å
211	F	98.7	Very high	96.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.9	178.5	-54.6	-94.4	0	0	0	109.4	R203 V204 E206 H209 W220 V248 G249 I253 N278	R203-F211 CarbonylContact C-O 3.52Å; R203-F211 WeakPolarHBondContact CA-O 3.43Å; V204-F211 HydrophobicContact CG2-CB 3.77Å; V204-F211 HydrophobicContact CG2-CD2 4.4Å; V204-F211 PolarHBondContact N-O 2.9Å; V204-F211 PolarHBondContact O-N 3.27Å; E206-F211 HydrophobicContact CB-CD2 4.44Å; E206-F211 HydrophobicContact CB-CE2 4.04Å; H209-F211 HydrophobicContact CB-CE2 3.65Å; H209-F211 HydrophobicContact CB-CZ 3.81Å; F211-W220 HydrophobicContact CB-CH2 4.4Å; F211-W220 HydrophobicContact CB-CZ3 4.43Å; F211-W220 HydrophobicContact CD1-CZ3 4.41Å; F211-W220 AromaticContact CD2-CH2 3.78Å; F211-W220 HydrophobicContact CD2-CH2 3.78Å; F211-W220 HydrophobicContact CD2-CZ3 4.37Å; F211-W220 HydrophobicContact CE2-CH2 4.19Å; F211-W220 HydrophobicContact CG-CH2 4.01Å; F211-W220 HydrophobicContact CG-CZ3 4.15Å; F211-V248 HydrophobicContact CD1-CG2 4.47Å; F211-G249 WeakPolarHBondContact CE1-O 3.3Å; F211-I253 HydrophobicContact CE1-CB 3.85Å; F211-I253 HydrophobicContact CE1-CG1 3.82Å; F211-I253 HydrophobicContact CE1-CG2 4.28Å; F211-I253 HydrophobicContact CZ-CB 4.21Å; F211-I253 HydrophobicContact CZ-CG2 4.39Å; F211-N278 WeakPolarHBondContact CA-OD1 3.41Å; F211-N278 HydrophobicContact CD1-CB 4.24Å
212	D	98.6	Very high	95.7	Very high	10 Å²	10	42.9 Å²	42.9	5%	0.053	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	139.2	159.4	-72.7	-5	0	0	0	108.4	T202 R203 W274 R277 N278 L281	T202-D212 WeakPolarHBondContact O-CA 3.42Å; R203-D212 WeakPolarHBondContact CB-OD1 3.47Å; R203-D212 WeakPolarHBondContact CG-OD1 3.42Å; R203-D212 IonicContact CZ-OD1 2.75Å; R203-D212 IonicContact CZ-OD2 3.53Å; R203-D212 IonicContact NE-OD1 3.54Å; R203-D212 PolarHBondContact NE-OD1 2.9Å; R203-D212 IonicContact NE-OD2 2.71Å; R203-D212 IonicContact NH2-OD1 3.52Å; R203-D212 PolarHBondContact NH2-OD1 3.2Å; R203-D212 VanDerWaalsContact NH2-OD1 3.1Å; R203-D212 IonicContact NH2-OD2 3.48Å; R203-D212 PolarHBondContact NH2-OD2 3.31Å; D212-W274 HydrophobicContact CB-CE3 4Å; D212-W274 HydrophobicContact CB-CZ3 3.8Å; D212-R277 IonicContact OD2-CZ 3.19Å; D212-R277 IonicContact OD2-NE 2.81Å; D212-R277 PolarHBondContact OD2-NE 2.91Å; D212-R277 IonicContact OD2-NH2 2.74Å; D212-R277 PolarHBondContact OD2-NH2 3.18Å; D212-N278 PolarHBondContact N-OD1 3.46Å; D212-N278 PolarHBondContact O-ND2 2.85Å; D212-N278 PolarHBondContact O-OD1 3.45Å; D212-L281 HydrophobicContact CB-CD1 3.91Å; D212-L281 VanDerWaalsContact CG-CD1 3.48Å; D212-L281 WeakPolarHBondContact OD2-CD1 3.12Å
213	L	97.9	Very high	95.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	152.7	179	61.4	90.5	0	0	0	110.7	I132 V201 T202 V204 F215 V218 W220 V248	I132-L213 HydrophobicContact CG2-CD1 4.39Å; V201-L213 CarbonylContact C-O 3.52Å; V201-L213 VanDerWaalsContact CA-O 3.31Å; V201-L213 WeakPolarHBondContact CA-O 3.47Å; T202-L213 HydrophobicContact CG2-CD1 3.8Å; T202-L213 HydrophobicContact CG2-CG 4.21Å; T202-L213 PolarHBondContact N-O 3.45Å; T202-L213 PolarHBondContact O-N 2.55Å; V204-L213 HydrophobicContact CG2-CD2 3.99Å; L213-F215 HydrophobicContact CD1-CB 3.81Å; L213-F215 HydrophobicContact CD1-CD2 4.07Å; L213-F215 HydrophobicContact CD1-CG 4.47Å; L213-V218 HydrophobicContact CB-CG2 3.95Å; L213-V218 HydrophobicContact CD1-CG2 4.31Å; L213-W220 HydrophobicContact CD2-CB 3.96Å; L213-W220 HydrophobicContact CD2-CD2 3.57Å; L213-W220 HydrophobicContact CD2-CE3 3.69Å; L213-W220 HydrophobicContact CD2-CG 3.69Å; L213-W220 HydrophobicContact CD2-CZ3 4.42Å; L213-V248 HydrophobicContact CB-CG1 4.02Å; L213-V248 HydrophobicContact CD2-CG2 4.28Å
214	D	96.5	Very high	95.2	Very high	18 Å²	18	42.9 Å²	42.9	10%	0.096	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	105.1	162.8	-174.3	-18.2	0	0	0	109.3	Y200 V201 S216 K217 V218 W274	Y200-D214 VanDerWaalsContact CB-OD1 3.26Å; Y200-D214 WeakPolarHBondContact CB-OD1 3.44Å; V201-D214 HydrophobicContact CG2-CB 4.01Å; D214-S216 VanDerWaalsContact CG-OG 3.3Å; D214-S216 PolarHBondContact O-N 3.33Å; D214-S216 VanDerWaalsContact O-N 3.08Å; D214-S216 WeakPolarHBondContact OD1-CB 3.46Å; D214-S216 PolarHBondContact OD1-N 2.81Å; D214-S216 PolarHBondContact OD1-OG 3.06Å; D214-S216 PolarHBondContact OD2-OG 3.1Å; D214-K217 HydrophobicContact CB-CB 4.17Å; D214-K217 HydrophobicContact CB-CD 4.24Å; D214-K217 HydrophobicContact CB-CG 4.23Å; D214-K217 PolarHBondContact O-N 2.93Å; D214-K217 WeakPolarHBondContact OD2-CD 3.11Å; D214-V218 WeakPolarHBondContact O-CG2 3.34Å; D214-V218 PolarHBondContact O-N 3.46Å; D214-W274 HydrophobicContact CB-CZ2 3.64Å; D214-W274 VanDerWaalsContact N-CE2 3.33Å
215	F	93.5	Very high	95.2	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.018	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.7	-175.6	-166.8	-106.2	0	0	0	113	I132 I135 I176 L189 F191 Y200 L213 K217 W220	I132-F215 HydrophobicContact CB-CD2 4.41Å; I132-F215 HydrophobicContact CB-CE2 4.48Å; I132-F215 HydrophobicContact CD1-CE2 4.1Å; I132-F215 HydrophobicContact CD1-CZ 3.98Å; I132-F215 HydrophobicContact CG1-CD2 4.29Å; I132-F215 HydrophobicContact CG1-CE2 3.87Å; I132-F215 HydrophobicContact CG1-CZ 4.28Å; I132-F215 HydrophobicContact CG2-CD2 3.91Å; I132-F215 HydrophobicContact CG2-CE2 4.28Å; I135-F215 HydrophobicContact CD1-CB 3.78Å; I135-F215 HydrophobicContact CD1-CG 4.34Å; I176-F215 HydrophobicContact CD1-CD1 3.67Å; I176-F215 HydrophobicContact CD1-CE1 3.4Å; L189-F215 HydrophobicContact CD2-CE1 4.16Å; L189-F215 HydrophobicContact CD2-CZ 4.04Å; F191-F215 HydrophobicContact CD1-CD1 4.2Å; F191-F215 HydrophobicContact CD1-CE1 4.11Å; F191-F215 AromaticContact CE1-CD1 3.73Å; F191-F215 HydrophobicContact CE1-CD1 3.73Å; F191-F215 HydrophobicContact CE1-CE1 4.1Å; F191-F215 HydrophobicContact CZ-CD1 4.32Å; Y200-F215 PolarHBondContact O-N 2.81Å; L213-F215 HydrophobicContact CD1-CB 3.81Å; L213-F215 HydrophobicContact CD1-CD2 4.07Å; L213-F215 HydrophobicContact CD1-CG 4.47Å; F215-K217 VanDerWaalsContact C-N 3.34Å; F215-W220 HydrophobicContact CD2-CB 4.15Å; F215-W220 HydrophobicContact CE2-CB 4.08Å
216	S	92.2	Very high	95.2	Very high	42 Å²	42	40.4 Å²	40.4	29%	0.294	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-17.5	174.6	73	0	0	0	0	113.8	D214	D214-S216 VanDerWaalsContact CG-OG 3.3Å; D214-S216 PolarHBondContact O-N 3.33Å; D214-S216 VanDerWaalsContact O-N 3.08Å; D214-S216 WeakPolarHBondContact OD1-CB 3.46Å; D214-S216 PolarHBondContact OD1-N 2.81Å; D214-S216 PolarHBondContact OD1-OG 3.06Å; D214-S216 PolarHBondContact OD2-OG 3.1Å
217	K	93	Very high	95.2	Very high	86 Å²	86	40.1 Å²	40.1	37%	0.374	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-13.8	-171	-63.9	-172.7	173.9	-164.9	0	115.1	N188 D214 F215 N268 D270	N188-K217 VanDerWaalsContact CG-O 3.31Å; N188-K217 PolarHBondContact ND2-O 2.83Å; N188-K217 PolarHBondContact OD1-O 2.85Å; D214-K217 HydrophobicContact CB-CB 4.17Å; D214-K217 HydrophobicContact CB-CD 4.24Å; D214-K217 HydrophobicContact CB-CG 4.23Å; D214-K217 PolarHBondContact O-N 2.93Å; D214-K217 WeakPolarHBondContact OD2-CD 3.11Å; F215-K217 VanDerWaalsContact C-N 3.34Å; K217-N268 PolarHBondContact O-ND2 3.35Å; K217-D270 HydrophobicContact CB-CB 4.25Å; K217-D270 IonicContact NZ-OD1 3.49Å; K217-D270 PolarHBondContact NZ-OD1 3.46Å
218	V	93.7	Very high	95.3	Very high	1 Å²	1	37 Å²	37	1%	0.006	20%	0.201	C	C	.	.	S	Bend	trans	-134.4	156.6	-175.6	-51.5	0	0	0	0	111.7	L213 D214 V248 D270	L213-V218 HydrophobicContact CB-CG2 3.95Å; L213-V218 HydrophobicContact CD1-CG2 4.31Å; D214-V218 WeakPolarHBondContact O-CG2 3.34Å; D214-V218 PolarHBondContact O-N 3.46Å; V218-V248 HydrophobicContact CB-CG1 3.96Å; V218-V248 HydrophobicContact CG1-CG1 4.03Å; V218-V248 HydrophobicContact CG2-CG1 3.61Å; V218-D270 HydrophobicContact CG1-CB 4.36Å
219	Y	91.6	Very high	95.3	Very high	98 Å²	98	36.3 Å²	36.3	38%	0.384	19%	0.189	S	C	.	.			trans	-78.4	125.2	171	178.1	-95.6	0	0	0	111.1	N221 L224	Y219-N221 HydrophobicContact CE1-CB 4.22Å; Y219-N221 PolarHBondContact OH-ND2 2.86Å; Y219-L224 HydrophobicContact CE1-CD1 4.43Å
220	W	93.2	Very high	95.3	Very high	20 Å²	20	37 Å²	37	8%	0.076	19%	0.19	C	C	.	.			trans	-142.1	133.2	169.3	-177.4	-93.8	0	0	0	110.7	V204 E206 F211 L213 F215 V248 P250	V204-W220 HydrophobicContact CB-CZ2 4.33Å; V204-W220 HydrophobicContact CG2-CD2 4.42Å; V204-W220 HydrophobicContact CG2-CH2 3.92Å; V204-W220 HydrophobicContact CG2-CZ2 3.45Å; V204-W220 VanDerWaalsContact CG2-CZ2 3.45Å; E206-W220 HydrophobicContact CB-CH2 4.2Å; E206-W220 HydrophobicContact CB-CZ2 4.2Å; F211-W220 HydrophobicContact CB-CH2 4.4Å; F211-W220 HydrophobicContact CB-CZ3 4.43Å; F211-W220 HydrophobicContact CD1-CZ3 4.41Å; F211-W220 AromaticContact CD2-CH2 3.78Å; F211-W220 HydrophobicContact CD2-CH2 3.78Å; F211-W220 HydrophobicContact CD2-CZ3 4.37Å; F211-W220 HydrophobicContact CE2-CH2 4.19Å; F211-W220 HydrophobicContact CG-CH2 4.01Å; F211-W220 HydrophobicContact CG-CZ3 4.15Å; L213-W220 HydrophobicContact CD2-CB 3.96Å; L213-W220 HydrophobicContact CD2-CD2 3.57Å; L213-W220 HydrophobicContact CD2-CE3 3.69Å; L213-W220 HydrophobicContact CD2-CG 3.69Å; L213-W220 HydrophobicContact CD2-CZ3 4.42Å; F215-W220 HydrophobicContact CD2-CB 4.15Å; F215-W220 HydrophobicContact CE2-CB 4.08Å; W220-V248 HydrophobicContact CE3-CG2 3.51Å; W220-V248 HydrophobicContact CZ3-CG2 3.61Å; W220-P250 HydrophobicContact CZ3-CB 4.19Å
221	N	91.3	Very high	95.3	Very high	44 Å²	44	36 Å²	36	24%	0.235	18%	0.184	C	C	.	.			trans	-132.9	105.9	177.8	-174	-16.8	0	0	0	110.5	Y219 R223 L224	Y219-N221 HydrophobicContact CE1-CB 4.22Å; Y219-N221 PolarHBondContact OH-ND2 2.86Å; N221-R223 PolarHBondContact O-N 3.09Å; N221-R223 WeakPolarHBondContact OD1-CB 3.24Å; N221-R223 PolarHBondContact OD1-N 3.06Å; N221-R223 VanDerWaalsContact OD1-N 3.07Å; N221-L224 HydrophobicContact CB-CD1 3.98Å; N221-L224 HydrophobicContact CB-CG 4.19Å; N221-L224 PolarHBondContact O-N 2.9Å; N221-L224 VanDerWaalsContact O-N 3.16Å
222	P	89.6	Confident	95.3	Very high	48 Å²	48	36.6 Å²	36.6	31%	0.312	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-65.7	-10.2	-175.4	28	-35.4	0	0	0	113.5	I132 L224	I132-P222 HydrophobicContact CG1-CG 4.3Å; P222-L224 VanDerWaalsContact C-N 3.31Å
223	R	90.2	Very high	95.3	Very high	123 Å²	123	40.1 Å²	40.1	46%	0.464	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-88.8	4.6	-180	-49.1	179.2	178.4	159.4	-4.2	113.5	N221 R392	N221-R223 PolarHBondContact O-N 3.09Å; N221-R223 WeakPolarHBondContact OD1-CB 3.24Å; N221-R223 PolarHBondContact OD1-N 3.06Å; N221-R223 VanDerWaalsContact OD1-N 3.07Å; R223-R392 PolarHBondContact O-NH1 3.41Å
224	L	95	Very high	95.3	Very high	12 Å²	12	44.6 Å²	44.6	6%	0.063	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-101	-2.9	177.4	-66.5	176.3	0	0	0	113.4	Y219 N221 P222 T226 E227 H228 V391 M400	Y219-L224 HydrophobicContact CE1-CD1 4.43Å; N221-L224 HydrophobicContact CB-CD1 3.98Å; N221-L224 HydrophobicContact CB-CG 4.19Å; N221-L224 PolarHBondContact O-N 2.9Å; N221-L224 VanDerWaalsContact O-N 3.16Å; P222-L224 VanDerWaalsContact C-N 3.31Å; L224-T226 VanDerWaalsContact C-N 3.33Å; L224-T226 PolarHBondContact O-N 3.19Å; L224-E227 WeakPolarHBondContact O-CA 3.23Å; L224-E227 WeakPolarHBondContact O-CB 3.2Å; L224-E227 PolarHBondContact O-N 2.78Å; L224-H228 VanDerWaalsContact CB-NE2 3.35Å; L224-H228 WeakPolarHBondContact CB-NE2 3.36Å; L224-H228 PolarHBondContact O-CD2 3.48Å; L224-H228 VanDerWaalsContact O-CG 3.3Å; L224-H228 PolarHBondContact O-N 2.72Å; L224-V391 HydrophobicContact CD2-CG1 4.49Å; L224-M400 HydrophobicContact CD2-CE 4.01Å; L224-M400 HydrophobicContact CD2-SD 4Å
225	G	96.8	Very high	95.4	Very high	10 Å²	10	43.9 Å²	43.9	10%	0.103	23%	0.229	C	C	.	.	H	α-helix	trans	-55.2	-40.7	-176.6	0	0	0	0	0	115	E206 N207 E227 H228 A229	E206-G225 WeakPolarHBondContact OE2-CA 3.35Å; E206-G225 PolarHBondContact OE2-N 3.45Å; N207-G225 PolarHBondContact ND2-O 3.47Å; G225-E227 VanDerWaalsContact C-N 3.31Å; G225-E227 PolarHBondContact O-N 2.85Å; G225-H228 PolarHBondContact O-N 3.48Å; G225-A229 PolarHBondContact O-N 3.05Å
226	T	97.6	Very high	95.6	Very high	126 Å²	126	45.8 Å²	45.8	77%	0.773	25%	0.245	S	C	*	.	H	α-helix	trans	-62.6	-39.3	174.9	-52.9	0	0	0	0	111.9	L224 A229 R230	L224-T226 VanDerWaalsContact C-N 3.33Å; L224-T226 PolarHBondContact O-N 3.19Å; T226-A229 PolarHBondContact O-N 3.5Å; T226-R230 WeakPolarHBondContact O-CB 3.3Å; T226-R230 PolarHBondContact O-N 3.01Å
227	E	98.2	Very high	95.9	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.047	25%	0.254	C	S	.	.	H	α-helix	trans	-70.5	-41.2	178.5	174.4	56.9	-171.6	0	0	111.7	L224 G225 A229 R230 L231 Y358 H389 V391	L224-E227 WeakPolarHBondContact O-CA 3.23Å; L224-E227 WeakPolarHBondContact O-CB 3.2Å; L224-E227 PolarHBondContact O-N 2.78Å; G225-E227 VanDerWaalsContact C-N 3.31Å; G225-E227 PolarHBondContact O-N 2.85Å; E227-A229 VanDerWaalsContact C-N 3.34Å; E227-A229 PolarHBondContact O-N 3.17Å; E227-R230 WeakPolarHBondContact O-CB 3.25Å; E227-R230 PolarHBondContact O-N 3.27Å; E227-R230 IonicContact OE1-CZ 2.68Å; E227-R230 IonicContact OE1-NE 2.73Å; E227-R230 IonicContact OE1-NH2 3.7Å; E227-R230 PolarHBondContact OE1-NH2 3.28Å; E227-R230 IonicContact OE2-CZ 3.1Å; E227-R230 IonicContact OE2-NE 3.35Å; E227-R230 PolarHBondContact OE2-NE 3.46Å; E227-R230 IonicContact OE2-NH2 3.91Å; E227-R230 PolarHBondContact OE2-NH2 3.43Å; E227-L231 PolarHBondContact O-N 3.32Å; E227-Y358 HydrophobicContact CG-CE1 3.88Å; E227-Y358 WeakPolarHBondContact OE1-CE1 3.38Å; E227-Y358 VanDerWaalsContact OE1-CZ 3.22Å; E227-Y358 PolarHBondContact OE1-OH 3.45Å; E227-H389 IonicContact OE2-CD2 3.41Å; E227-H389 PolarHBondContact OE2-CD2 2.71Å; E227-H389 IonicContact OE2-NE2 3.37Å; E227-V391 HydrophobicContact CB-CG1 3.74Å; E227-V391 HydrophobicContact CG-CG1 3.6Å; E227-V391 HydrophobicContact CG-CG2 4.21Å
228	H	98.5	Very high	96	Very high	12 Å²	12	44.6 Å²	44.6	6%	0.056	25%	0.251	C	S	.	.	H	α-helix	trans	-58	-47.9	173.7	-58.9	163.4	0	0	0	110.8	E206 L224 G225 R230 L231 V232 F251	E206-H228 VanDerWaalsContact CD-ND1 3.34Å; E206-H228 IonicContact OE1-CE1 3.82Å; E206-H228 IonicContact OE1-CG 3.33Å; E206-H228 IonicContact OE1-ND1 3.92Å; E206-H228 PolarHBondContact OE1-ND1 2.85Å; E206-H228 IonicContact OE2-CE1 2.71Å; E206-H228 IonicContact OE2-ND1 2.85Å; E206-H228 PolarHBondContact OE2-ND1 2.92Å; L224-H228 VanDerWaalsContact CB-NE2 3.35Å; L224-H228 WeakPolarHBondContact CB-NE2 3.36Å; L224-H228 PolarHBondContact O-CD2 3.48Å; L224-H228 VanDerWaalsContact O-CG 3.3Å; L224-H228 PolarHBondContact O-N 2.72Å; G225-H228 PolarHBondContact O-N 3.48Å; H228-R230 VanDerWaalsContact C-N 3.32Å; H228-R230 PolarHBondContact O-N 2.81Å; H228-L231 PolarHBondContact O-N 2.94Å; H228-V232 VanDerWaalsContact O-CB 3.3Å; H228-V232 WeakPolarHBondContact O-CB 3.47Å; H228-V232 WeakPolarHBondContact O-CG2 3.17Å; H228-V232 PolarHBondContact O-N 2.84Å; H228-F251 HydrophobicContact CB-CE1 4.22Å; H228-F251 AromaticContact CD2-CE1 3.65Å; H228-F251 AromaticContact CD2-CE2 3.76Å; H228-F251 AromaticContact CD2-CZ 3.3Å; H228-F251 WeakPolarHBondContact CD2-CZ 3.35Å; H228-F251 AromaticContact NE2-CZ 3.99Å
229	A	98.3	Very high	96.2	Very high	39 Å²	39	45 Å²	45	32%	0.322	25%	0.253	S	S	.	.	H	α-helix	trans	-60.4	-41.3	176.2	0	0	0	0	0	112.3	N207 G225 T226 E227 S233	N207-A229 PolarHBondContact ND2-N 3.29Å; G225-A229 PolarHBondContact O-N 3.05Å; T226-A229 PolarHBondContact O-N 3.5Å; E227-A229 VanDerWaalsContact C-N 3.34Å; E227-A229 PolarHBondContact O-N 3.17Å; A229-S233 WeakPolarHBondContact O-CB 3.3Å; A229-S233 PolarHBondContact O-N 2.68Å
230	R	98.6	Very high	96.5	Very high	52 Å²	52	40.3 Å²	40.3	20%	0.196	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-50.3	179.5	-173.3	-160.9	66.9	86.6	1	111	T226 E227 H228 S233 H389 C402	T226-R230 WeakPolarHBondContact O-CB 3.3Å; T226-R230 PolarHBondContact O-N 3.01Å; E227-R230 WeakPolarHBondContact O-CB 3.25Å; E227-R230 PolarHBondContact O-N 3.27Å; E227-R230 IonicContact OE1-CZ 2.68Å; E227-R230 IonicContact OE1-NE 2.73Å; E227-R230 IonicContact OE1-NH2 3.7Å; E227-R230 PolarHBondContact OE1-NH2 3.28Å; E227-R230 IonicContact OE2-CZ 3.1Å; E227-R230 IonicContact OE2-NE 3.35Å; E227-R230 PolarHBondContact OE2-NE 3.46Å; E227-R230 IonicContact OE2-NH2 3.91Å; E227-R230 PolarHBondContact OE2-NH2 3.43Å; H228-R230 VanDerWaalsContact C-N 3.32Å; H228-R230 PolarHBondContact O-N 2.81Å; R230-S233 PolarHBondContact O-N 2.98Å; R230-S233 PolarHBondContact O-OG 3.08Å; R230-H389 WeakPolarHBondContact CD-NE2 3.33Å; R230-H389 VanDerWaalsContact CZ-CD2 3.49Å; R230-H389 PolarHBondContact NE-CD2 3.36Å; R230-H389 PolarHBondContact NE-NE2 3.04Å; R230-C402 PolarHBondContact NH2-SG 3.48Å
231	L	98.7	Very high	96.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.7	-46.8	-179.6	-175.8	55.8	0	0	0	111.3	E227 H228 S233 K234 F235 F251 V321 H356 Y358	E227-L231 PolarHBondContact O-N 3.32Å; H228-L231 PolarHBondContact O-N 2.94Å; L231-S233 PolarHBondContact O-N 2.73Å; L231-K234 HydrophobicContact CD1-CD 4.3Å; L231-K234 VanDerWaalsContact O-CB 3.3Å; L231-K234 WeakPolarHBondContact O-CB 3.34Å; L231-K234 PolarHBondContact O-N 2.94Å; L231-F235 HydrophobicContact CD1-CE1 4.34Å; L231-F235 HydrophobicContact CD1-CZ 4.38Å; L231-F235 HydrophobicContact CD2-CZ 4.44Å; L231-F235 HydrophobicContact CG-CE1 4.31Å; L231-F235 HydrophobicContact CG-CZ 3.87Å; L231-F251 HydrophobicContact CB-CD1 4.26Å; L231-F251 HydrophobicContact CB-CE1 3.82Å; L231-F251 HydrophobicContact CD2-CD1 3.93Å; L231-F251 HydrophobicContact CD2-CE1 3.6Å; L231-F251 HydrophobicContact CD2-CZ 4.21Å; L231-F251 HydrophobicContact CG-CD1 4.39Å; L231-F251 HydrophobicContact CG-CE1 4.2Å; L231-V321 HydrophobicContact CD2-CG1 3.75Å; L231-V321 HydrophobicContact CD2-CG2 3.96Å; L231-H356 HydrophobicContact CD1-CB 4.05Å; L231-H356 HydrophobicContact CD2-CB 4.12Å; L231-Y358 HydrophobicContact CD2-CE2 4.2Å
232	V	98.6	Very high	97.1	Very high	14 Å²	14	37.3 Å²	37.3	9%	0.085	22%	0.22	C	C	.	.	H	α-helix	trans	-59.6	-29.2	177.8	168.7	0	0	0	0	112.1	H228 K234 F235 F251 P254 K258	H228-V232 VanDerWaalsContact O-CB 3.3Å; H228-V232 WeakPolarHBondContact O-CB 3.47Å; H228-V232 WeakPolarHBondContact O-CG2 3.17Å; H228-V232 PolarHBondContact O-N 2.84Å; V232-K234 PolarHBondContact O-N 3.5Å; V232-F235 HydrophobicContact CB-CD2 4.42Å; V232-F235 HydrophobicContact CB-CE2 4.48Å; V232-F235 HydrophobicContact CG2-CD2 4.41Å; V232-F235 HydrophobicContact CG2-CE2 4.09Å; V232-F235 PolarHBondContact O-N 2.85Å; V232-F251 HydrophobicContact CG2-CD1 4.22Å; V232-P254 HydrophobicContact CB-CB 4.39Å; V232-P254 HydrophobicContact CG1-CB 3.68Å; V232-P254 HydrophobicContact CG2-CB 3.9Å; V232-P254 HydrophobicContact CG2-CG 4.48Å; V232-K258 HydrophobicContact CG1-CD 3.76Å; V232-K258 PolarHBondContact O-NZ 3.1Å
233	S	98.3	Very high	97.6	Very high	83 Å²	83	35 Å²	35	58%	0.58	21%	0.205	S	C	*	.	H	α-helix	trans	-62.6	-24.7	176.8	76.8	0	0	0	0	113	A229 R230 L231 K258	A229-S233 WeakPolarHBondContact O-CB 3.3Å; A229-S233 PolarHBondContact O-N 2.68Å; R230-S233 PolarHBondContact O-N 2.98Å; R230-S233 PolarHBondContact O-OG 3.08Å; L231-S233 PolarHBondContact O-N 2.73Å; S233-K258 PolarHBondContact O-NZ 3.07Å
234	K	98	Very high	98	Very high	94 Å²	94	29.1 Å²	29.1	41%	0.409	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-20.6	178.5	-59.2	-171.2	174.6	-167.7	0	114.6	L231 V232	L231-K234 HydrophobicContact CD1-CD 4.3Å; L231-K234 VanDerWaalsContact O-CB 3.3Å; L231-K234 WeakPolarHBondContact O-CB 3.34Å; L231-K234 PolarHBondContact O-N 2.94Å; V232-K234 PolarHBondContact O-N 3.5Å
235	F	98.5	Very high	98.1	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.018	19%	0.185	C	C	.	.			trans	-79.1	145.8	-178.2	-50	-30.9	0	0	0	111.3	L231 V232 V241 A255 K258 H319 V321	L231-F235 HydrophobicContact CD1-CE1 4.34Å; L231-F235 HydrophobicContact CD1-CZ 4.38Å; L231-F235 HydrophobicContact CD2-CZ 4.44Å; L231-F235 HydrophobicContact CG-CE1 4.31Å; L231-F235 HydrophobicContact CG-CZ 3.87Å; V232-F235 HydrophobicContact CB-CD2 4.42Å; V232-F235 HydrophobicContact CB-CE2 4.48Å; V232-F235 HydrophobicContact CG2-CD2 4.41Å; V232-F235 HydrophobicContact CG2-CE2 4.09Å; V232-F235 PolarHBondContact O-N 2.85Å; F235-V241 HydrophobicContact CD1-CG2 4.34Å; F235-V241 HydrophobicContact CD2-CG2 4.05Å; F235-V241 HydrophobicContact CE2-CG1 4.2Å; F235-V241 HydrophobicContact CE2-CG2 4.21Å; F235-V241 HydrophobicContact CG-CG2 4.12Å; F235-V241 HydrophobicContact CZ-CG1 4.2Å; F235-V241 HydrophobicContact CZ-CG2 4.44Å; F235-A255 HydrophobicContact CD2-CB 3.77Å; F235-A255 HydrophobicContact CE2-CB 4.03Å; F235-K258 VanDerWaalsContact O-CE 3.26Å; F235-K258 WeakPolarHBondContact O-CE 2.98Å; F235-K258 PolarHBondContact O-NZ 3.1Å; F235-H319 HydrophobicContact CD1-CB 4.16Å; F235-H319 AromaticContact CD1-CD2 3.77Å; F235-H319 AromaticContact CD1-CE1 3.9Å; F235-H319 AromaticContact CD1-CG 3.61Å; F235-H319 AromaticContact CD1-ND1 3.7Å; F235-H319 AromaticContact CD1-NE2 3.94Å; F235-H319 HydrophobicContact CE1-CB 3.74Å; F235-H319 AromaticContact CE1-CG 3.59Å; F235-H319 AromaticContact CE1-ND1 3.62Å; F235-V321 HydrophobicContact CZ-CG2 3.93Å
236	A	98	Very high	98.2	Very high	43 Å²	43	29.1 Å²	29.1	36%	0.355	18%	0.18	S	C	.	.			trans	-114.9	156.4	175.9	0	0	0	0	0	111.4	G238 D239 C260	A236-G238 PolarHBondContact O-N 3.33Å; A236-D239 PolarHBondContact N-OD2 2.99Å; A236-D239 VanDerWaalsContact O-CB 3.29Å; A236-D239 WeakPolarHBondContact O-CB 3.35Å; A236-D239 PolarHBondContact O-N 3.34Å; A236-D239 VanDerWaalsContact O-N 3.11Å; A236-C260 PolarHBondContact O-SG 2.88Å
237	P	97.9	Very high	98.1	Very high	74 Å²	74	23.6 Å²	23.6	48%	0.481	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	133.1	170.8	-24	33.9	0	0	0	111.4	D239 K258 R259	P237-D239 VanDerWaalsContact C-N 3.34Å; P237-K258 WeakPolarHBondContact CA-O 3.33Å; P237-R259 HydrophobicContact CB-CB 4.34Å
238	G	96.2	Very high	98.1	Very high	30 Å²	30	23.2 Å²	23.2	31%	0.309	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	-12.2	-176.9	0	0	0	0	0	114.9	A236 R259 G316	A236-G238 PolarHBondContact O-N 3.33Å; G238-R259 PolarHBondContact N-O 3.21Å; G238-G316 PolarHBondContact O-N 2.99Å
239	D	97.7	Very high	98.1	Very high	9 Å²	9	22.7 Å²	22.7	5%	0.048	14%	0.144	C	C	.	.			trans	-63.7	155.9	173.2	-71.7	-6.7	0	0	0	111.6	A236 P237 C260 T261 G316 Q317 H319	A236-D239 PolarHBondContact N-OD2 2.99Å; A236-D239 VanDerWaalsContact O-CB 3.29Å; A236-D239 WeakPolarHBondContact O-CB 3.35Å; A236-D239 PolarHBondContact O-N 3.34Å; A236-D239 VanDerWaalsContact O-N 3.11Å; P237-D239 VanDerWaalsContact C-N 3.34Å; D239-C260 CarbonylContact O-C 3.43Å; D239-C260 WeakPolarHBondContact O-CA 3.23Å; D239-C260 VanDerWaalsContact O-CB 3.27Å; D239-C260 WeakPolarHBondContact O-CB 3.35Å; D239-T261 PolarHBondContact O-N 2.71Å; D239-G316 WeakPolarHBondContact OD1-CA 3.38Å; D239-Q317 CarbonylContact C-O 3.54Å; D239-Q317 VanDerWaalsContact CA-O 3.31Å; D239-Q317 WeakPolarHBondContact CA-O 3.39Å; D239-Q317 VanDerWaalsContact CB-O 3.28Å; D239-Q317 WeakPolarHBondContact CB-O 3.47Å; D239-Q317 PolarHBondContact OD1-N 3.46Å; D239-H319 IonicContact OD2-CD2 3.79Å; D239-H319 IonicContact OD2-NE2 3.4Å; D239-H319 PolarHBondContact OD2-NE2 2.91Å
240	V	97.8	Very high	98.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	128.5	173	-175.6	0	0	0	0	108.8	F242 T261 I263 I305 M308 F315 Q317 V318 H319	V240-F242 HydrophobicContact CG1-CD2 4.38Å; V240-F242 HydrophobicContact CG1-CE2 3.85Å; V240-F242 HydrophobicContact CG1-CZ 3.96Å; V240-T261 CarbonylContact C-O 3.55Å; V240-T261 WeakPolarHBondContact CA-O 3.32Å; V240-I263 HydrophobicContact CG1-CD1 3.79Å; V240-I305 HydrophobicContact CG1-CD1 4.38Å; V240-M308 HydrophobicContact CG2-CE 4.21Å; V240-M308 HydrophobicContact CG2-SD 3.77Å; V240-F315 HydrophobicContact CG2-CB 3.83Å; V240-F315 HydrophobicContact CG2-CD2 3.69Å; V240-F315 HydrophobicContact CG2-CG 3.92Å; V240-Q317 PolarHBondContact N-O 2.71Å; V240-V318 HydrophobicContact CB-CG2 4.32Å; V240-V318 CarbonylContact O-C 3.6Å; V240-V318 WeakPolarHBondContact O-CA 3.43Å; V240-H319 PolarHBondContact O-N 2.88Å
241	V	98.7	Very high	98.1	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	116.1	179.2	-176.3	0	0	0	0	109.8	F235 A255 C260 T261 V262 I263 H319 V321	F235-V241 HydrophobicContact CD1-CG2 4.34Å; F235-V241 HydrophobicContact CD2-CG2 4.05Å; F235-V241 HydrophobicContact CE2-CG1 4.2Å; F235-V241 HydrophobicContact CE2-CG2 4.21Å; F235-V241 HydrophobicContact CG-CG2 4.12Å; F235-V241 HydrophobicContact CZ-CG1 4.2Å; F235-V241 HydrophobicContact CZ-CG2 4.44Å; V241-A255 HydrophobicContact CB-CB 4.46Å; V241-A255 HydrophobicContact CG2-CB 4.14Å; V241-C260 HydrophobicContact CG2-CB 3.97Å; V241-T261 PolarHBondContact N-O 2.75Å; V241-V262 HydrophobicContact CB-CG2 4.38Å; V241-V262 WeakPolarHBondContact O-CA 3.41Å; V241-I263 PolarHBondContact O-N 3.46Å; V241-H319 CarbonylContact C-O 3.21Å; V241-H319 WeakPolarHBondContact CA-O 3.34Å; V241-H319 HydrophobicContact CG2-CB 4.31Å; V241-V321 HydrophobicContact CG1-CG2 4.14Å
242	F	98.8	Very high	98.1	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	112.1	167.9	-65.2	-72.2	0	0	0	109.4	V240 I263 F296 C301 V304 I305 V318 H319 V320 V321 M338	V240-F242 HydrophobicContact CG1-CD2 4.38Å; V240-F242 HydrophobicContact CG1-CE2 3.85Å; V240-F242 HydrophobicContact CG1-CZ 3.96Å; F242-I263 CarbonylContact C-O 3.54Å; F242-I263 VanDerWaalsContact CA-O 3.29Å; F242-I263 WeakPolarHBondContact CA-O 3.3Å; F242-I263 HydrophobicContact CD1-CB 3.73Å; F242-I263 HydrophobicContact CD1-CD1 4.24Å; F242-I263 HydrophobicContact CD1-CG1 4.34Å; F242-I263 HydrophobicContact CD1-CG2 4.21Å; F242-I263 HydrophobicContact CE1-CB 3.85Å; F242-I263 HydrophobicContact CE1-CD1 3.78Å; F242-I263 HydrophobicContact CE1-CG1 3.97Å; F242-I263 HydrophobicContact CE1-CG2 4.28Å; F242-I263 HydrophobicContact CZ-CD1 4.31Å; F242-F296 HydrophobicContact CB-CE1 4.3Å; F242-F296 HydrophobicContact CD1-CE1 4.41Å; F242-F296 HydrophobicContact CD1-CZ 4Å; F242-C301 HydrophobicContact CD1-CB 3.96Å; F242-C301 WeakPolarHBondContact CD1-SG 3.23Å; F242-C301 HydrophobicContact CD2-CB 4.35Å; F242-C301 HydrophobicContact CE1-CB 3.86Å; F242-C301 HydrophobicContact CE2-CB 4.22Å; F242-C301 HydrophobicContact CG-CB 4.22Å; F242-C301 HydrophobicContact CZ-CB 3.99Å; F242-V304 HydrophobicContact CE1-CB 4.04Å; F242-V304 HydrophobicContact CE1-CG1 4.07Å; F242-V304 HydrophobicContact CE1-CG2 4.37Å; F242-V304 HydrophobicContact CZ-CB 3.98Å; F242-V304 HydrophobicContact CZ-CG1 3.91Å; F242-I305 HydrophobicContact CE2-CD1 3.83Å; F242-I305 HydrophobicContact CE2-CG1 3.94Å; F242-I305 HydrophobicContact CZ-CD1 4Å; F242-I305 HydrophobicContact CZ-CG1 4Å; F242-V318 HydrophobicContact CD2-CG1 3.8Å; F242-V318 HydrophobicContact CE2-CG1 3.72Å; F242-H319 PolarHBondContact N-O 2.76Å; F242-V320 HydrophobicContact CB-CG1 4.42Å; F242-V320 HydrophobicContact CB-CG2 4.39Å; F242-V320 HydrophobicContact CD2-CG2 4.25Å; F242-V321 PolarHBondContact O-N 3.26Å; F242-M338 HydrophobicContact CD2-CE 4Å; F242-M338 HydrophobicContact CE2-CE 3.92Å
243	D	98.8	Very high	98.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	99.9	177.7	-168.3	-3.6	0	0	0	109.2	A246 S252 I263 A264 N265	D243-A246 HydrophobicContact CB-CB 4.07Å; D243-A246 WeakPolarHBondContact OD1-CA 3.46Å; D243-A246 WeakPolarHBondContact OD2-CA 3.44Å; D243-A246 WeakPolarHBondContact OD2-CB 3.35Å; D243-S252 WeakPolarHBondContact CB-OG 3.26Å; D243-S252 PolarHBondContact OD2-N 2.85Å; D243-S252 PolarHBondContact OD2-OG 3.17Å; D243-I263 PolarHBondContact N-O 3.14Å; D243-A264 HydrophobicContact CB-CB 4.34Å; D243-A264 CarbonylContact O-C 3.47Å; D243-A264 WeakPolarHBondContact O-CA 3.44Å; D243-N265 PolarHBondContact O-N 3.37Å
244	V	98.6	Very high	98.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-29	-165.5	-175.7	0	0	0	0	112.9	N265 F296 L297 V320 V321 M322	V244-N265 CarbonylContact C-O 3.55Å; V244-N265 CarbonylContact O-C 3.55Å; V244-N265 PolarHBondContact O-ND2 2.8Å; V244-F296 HydrophobicContact CB-CD1 4.42Å; V244-F296 HydrophobicContact CG1-CD1 4.23Å; V244-F296 HydrophobicContact CG2-CD1 4.21Å; V244-F296 HydrophobicContact CG2-CE1 4.19Å; V244-L297 HydrophobicContact CG1-CD1 4.36Å; V244-L297 HydrophobicContact CG1-CG 4.27Å; V244-L297 HydrophobicContact CG2-CD2 3.69Å; V244-L297 HydrophobicContact CG2-CG 4.25Å; V244-V320 HydrophobicContact CG2-CG1 3.83Å; V244-V321 WeakPolarHBondContact CG2-O 3.49Å; V244-V321 PolarHBondContact N-O 2.89Å; V244-M322 HydrophobicContact CB-CG 4.3Å; V244-M322 HydrophobicContact CG2-CG 3.87Å
245	F	97.8	Very high	98.2	Very high	22 Å²	22	10.2 Å²	10.2	10%	0.096	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.7	61.2	-179.8	-42.6	-76.2	0	0	0	109.8	G247 N265 M322 N323 L324 A328 F331	F245-G247 VanDerWaalsContact C-N 3.25Å; F245-G247 PolarHBondContact O-N 3.22Å; F245-G247 VanDerWaalsContact O-N 3.17Å; F245-N265 CarbonylContact C-O 3.53Å; F245-N265 WeakPolarHBondContact CA-O 3.49Å; F245-N265 PolarHBondContact N-O 3.45Å; F245-M322 HydrophobicContact CE2-CB 4.17Å; F245-N323 WeakPolarHBondContact CB-OD1 3.36Å; F245-N323 PolarHBondContact O-ND2 2.89Å; F245-N323 PolarHBondContact O-OD1 2.76Å; F245-L324 HydrophobicContact CB-CB 4.22Å; F245-L324 HydrophobicContact CD1-CB 4.24Å; F245-L324 HydrophobicContact CD1-CD2 3.96Å; F245-L324 HydrophobicContact CD2-CB 3.4Å; F245-L324 VanDerWaalsContact CD2-CB 3.4Å; F245-L324 HydrophobicContact CE1-CB 4.48Å; F245-L324 HydrophobicContact CE1-CD2 3.92Å; F245-L324 HydrophobicContact CE2-CB 3.69Å; F245-L324 HydrophobicContact CE2-CD2 4.48Å; F245-L324 HydrophobicContact CG-CB 3.7Å; F245-L324 HydrophobicContact CG-CD2 4.26Å; F245-L324 HydrophobicContact CZ-CB 4.23Å; F245-L324 HydrophobicContact CZ-CD2 4.19Å; F245-A328 HydrophobicContact CE2-CB 4.39Å; F245-F331 HydrophobicContact CE1-CE1 4.1Å; F245-F331 HydrophobicContact CE1-CE2 4.21Å; F245-F331 AromaticContact CE1-CZ 3.91Å; F245-F331 HydrophobicContact CE1-CZ 3.91Å; F245-F331 HydrophobicContact CZ-CD1 4.07Å; F245-F331 AromaticContact CZ-CD2 3.81Å; F245-F331 HydrophobicContact CZ-CD2 3.81Å; F245-F331 HydrophobicContact CZ-CE1 4.01Å; F245-F331 AromaticContact CZ-CE2 3.75Å; F245-F331 HydrophobicContact CZ-CE2 3.75Å; F245-F331 AromaticContact CZ-CG 3.98Å; F245-F331 HydrophobicContact CZ-CG 3.98Å; F245-F331 AromaticContact CZ-CZ 3.85Å; F245-F331 HydrophobicContact CZ-CZ 3.85Å
246	A	98.1	Very high	98.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	8%	0.078	C	C	.	.			trans	-65.4	-21.5	-163.5	0	0	0	0	0	114.8	D243 V248 G249 P250 A264 N265 L275	D243-A246 HydrophobicContact CB-CB 4.07Å; D243-A246 WeakPolarHBondContact OD1-CA 3.46Å; D243-A246 WeakPolarHBondContact OD2-CA 3.44Å; D243-A246 WeakPolarHBondContact OD2-CB 3.35Å; A246-V248 PolarHBondContact O-N 2.64Å; A246-G249 WeakPolarHBondContact O-CA 3.01Å; A246-G249 PolarHBondContact O-N 2.65Å; A246-P250 WeakPolarHBondContact O-CD 3.37Å; A246-A264 HydrophobicContact CB-CB 3.74Å; A246-N265 WeakPolarHBondContact CB-O 3.38Å; A246-N265 PolarHBondContact N-O 2.91Å; A246-L275 HydrophobicContact CB-CD2 4.46Å
247	G	96.7	Very high	98.2	Very high	10 Å²	10	10.7 Å²	10.7	10%	0.103	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	-132.4	-171.7	0	0	0	0	0	111.2	F245 G249 D266 C271	F245-G247 VanDerWaalsContact C-N 3.25Å; F245-G247 PolarHBondContact O-N 3.22Å; F245-G247 VanDerWaalsContact O-N 3.17Å; G247-G249 PolarHBondContact O-N 3.24Å; G247-D266 VanDerWaalsContact CA-OD2 3.25Å; G247-D266 WeakPolarHBondContact CA-OD2 3.35Å; G247-D266 PolarHBondContact N-OD2 2.9Å; G247-C271 WeakPolarHBondContact O-CB 3.24Å
248	V	98.1	Very high	98.3	Very high	2 Å²	2	10.2 Å²	10.2	1%	0.012	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	8.1	175.9	-56.1	0	0	0	0	114.3	F211 L213 V218 W220 A246 W274 N278	F211-V248 HydrophobicContact CD1-CG2 4.47Å; L213-V248 HydrophobicContact CB-CG1 4.02Å; L213-V248 HydrophobicContact CD2-CG2 4.28Å; V218-V248 HydrophobicContact CB-CG1 3.96Å; V218-V248 HydrophobicContact CG1-CG1 4.03Å; V218-V248 HydrophobicContact CG2-CG1 3.61Å; W220-V248 HydrophobicContact CE3-CG2 3.51Å; W220-V248 HydrophobicContact CZ3-CG2 3.61Å; A246-V248 PolarHBondContact O-N 2.64Å; V248-W274 HydrophobicContact CB-CB 4.24Å; V248-W274 HydrophobicContact CG1-CB 3.68Å; V248-W274 HydrophobicContact CG1-CG 4.35Å; V248-N278 PolarHBondContact O-ND2 2.84Å; V248-N278 VanDerWaalsContact O-ND2 3.11Å
249	G	98.5	Very high	98.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.087	C	C	.	.			trans	93.5	35.9	173.5	0	0	0	0	0	118.5	F211 A246 G247 F251 S252 I253	F211-G249 WeakPolarHBondContact CE1-O 3.3Å; A246-G249 WeakPolarHBondContact O-CA 3.01Å; A246-G249 PolarHBondContact O-N 2.65Å; G247-G249 PolarHBondContact O-N 3.24Å; G249-F251 VanDerWaalsContact C-N 3.25Å; G249-F251 PolarHBondContact O-N 2.82Å; G249-S252 PolarHBondContact O-N 2.95Å; G249-I253 WeakPolarHBondContact O-CB 3.48Å; G249-I253 WeakPolarHBondContact O-CG1 3.1Å; G249-I253 PolarHBondContact O-N 3.35Å
250	P	98.3	Very high	98.4	Very high	12 Å²	12	17.6 Å²	17.6	8%	0.078	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-24.1	-179.2	29.5	-33.5	0	0	0	113.9	W220 A246 P254	W220-P250 HydrophobicContact CZ3-CB 4.19Å; A246-P250 WeakPolarHBondContact O-CD 3.37Å; P250-P254 VanDerWaalsContact O-CD 3.24Å; P250-P254 WeakPolarHBondContact O-CD 3.37Å; P250-P254 VanDerWaalsContact O-CG 3.23Å; P250-P254 WeakPolarHBondContact O-CG 3.01Å
251	F	98.7	Very high	98.4	Very high	3 Å²	3	20.8 Å²	20.8	1%	0.013	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-45.2	168.7	-61.6	-76.6	0	0	0	111.7	H228 L231 V232 G249 I253 P254 A255 V321 N323 Y358	H228-F251 HydrophobicContact CB-CE1 4.22Å; H228-F251 AromaticContact CD2-CE1 3.65Å; H228-F251 AromaticContact CD2-CE2 3.76Å; H228-F251 AromaticContact CD2-CZ 3.3Å; H228-F251 WeakPolarHBondContact CD2-CZ 3.35Å; H228-F251 AromaticContact NE2-CZ 3.99Å; L231-F251 HydrophobicContact CB-CD1 4.26Å; L231-F251 HydrophobicContact CB-CE1 3.82Å; L231-F251 HydrophobicContact CD2-CD1 3.93Å; L231-F251 HydrophobicContact CD2-CE1 3.6Å; L231-F251 HydrophobicContact CD2-CZ 4.21Å; L231-F251 HydrophobicContact CG-CD1 4.39Å; L231-F251 HydrophobicContact CG-CE1 4.2Å; V232-F251 HydrophobicContact CG2-CD1 4.22Å; G249-F251 VanDerWaalsContact C-N 3.25Å; G249-F251 PolarHBondContact O-N 2.82Å; F251-I253 PolarHBondContact O-N 2.73Å; F251-P254 WeakPolarHBondContact O-CD 3.38Å; F251-A255 VanDerWaalsContact O-CB 3.24Å; F251-A255 WeakPolarHBondContact O-CB 3.31Å; F251-A255 PolarHBondContact O-N 3.35Å; F251-V321 HydrophobicContact CD2-CG1 4.1Å; F251-V321 HydrophobicContact CE2-CG1 4.29Å; F251-V321 HydrophobicContact CG-CG1 4.28Å; F251-N323 HydrophobicContact CD2-CB 4.33Å; F251-N323 HydrophobicContact CE2-CB 3.6Å; F251-N323 HydrophobicContact CZ-CB 4.37Å; F251-Y358 HydrophobicContact CZ-CE2 4.34Å
252	S	98.8	Very high	98.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-55.9	-48.4	-178.1	-68.9	0	0	0	0	114.2	D243 G249 A255 A256 A264	D243-S252 WeakPolarHBondContact CB-OG 3.26Å; D243-S252 PolarHBondContact OD2-N 2.85Å; D243-S252 PolarHBondContact OD2-OG 3.17Å; G249-S252 PolarHBondContact O-N 2.95Å; S252-A255 PolarHBondContact O-N 3.06Å; S252-A256 WeakPolarHBondContact O-CB 3.07Å; S252-A256 PolarHBondContact O-N 3.4Å; S252-A264 WeakPolarHBondContact OG-CB 3.41Å
253	I	98.9	Very high	98.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67.5	-49.1	-176.8	-62.2	-64.6	0	0	0	111.7	H209 F211 G249 F251 A255 A256 A257 L275 N278 C279 N282 V284	H209-I253 HydrophobicContact CB-CG2 4.24Å; F211-I253 HydrophobicContact CE1-CB 3.85Å; F211-I253 HydrophobicContact CE1-CG1 3.82Å; F211-I253 HydrophobicContact CE1-CG2 4.28Å; F211-I253 HydrophobicContact CZ-CB 4.21Å; F211-I253 HydrophobicContact CZ-CG2 4.39Å; G249-I253 WeakPolarHBondContact O-CB 3.48Å; G249-I253 WeakPolarHBondContact O-CG1 3.1Å; G249-I253 PolarHBondContact O-N 3.35Å; F251-I253 PolarHBondContact O-N 2.73Å; I253-A255 VanDerWaalsContact C-N 3.34Å; I253-A255 PolarHBondContact O-N 3.47Å; I253-A256 PolarHBondContact O-N 3.41Å; I253-A257 WeakPolarHBondContact O-CB 3.37Å; I253-A257 PolarHBondContact O-N 2.98Å; I253-L275 HydrophobicContact CD1-CD1 4.03Å; I253-L275 HydrophobicContact CG1-CD1 4.19Å; I253-N278 HydrophobicContact CD1-CB 4.2Å; I253-N278 HydrophobicContact CG1-CB 4.24Å; I253-C279 HydrophobicContact CD1-CB 4.24Å; I253-C279 WeakPolarHBondContact CD1-SG 3.15Å; I253-N282 HydrophobicContact CG2-CB 3.73Å; I253-V284 HydrophobicContact CD1-CG2 3.69Å; I253-V284 HydrophobicContact CG2-CG2 4.21Å
254	P	98.8	Very high	98.4	Very high	6 Å²	6	21.1 Å²	21.1	4%	0.039	11%	0.109	C	C	.	.	H	α-helix	trans	-63.3	-36.2	174.7	-24.8	35.7	0	0	0	113.8	V232 P250 F251 A257 K258	V232-P254 HydrophobicContact CB-CB 4.39Å; V232-P254 HydrophobicContact CG1-CB 3.68Å; V232-P254 HydrophobicContact CG2-CB 3.9Å; V232-P254 HydrophobicContact CG2-CG 4.48Å; P250-P254 VanDerWaalsContact O-CD 3.24Å; P250-P254 WeakPolarHBondContact O-CD 3.37Å; P250-P254 VanDerWaalsContact O-CG 3.23Å; P250-P254 WeakPolarHBondContact O-CG 3.01Å; F251-P254 WeakPolarHBondContact O-CD 3.38Å; P254-A257 PolarHBondContact O-N 3Å; P254-K258 WeakPolarHBondContact O-CG 3.39Å; P254-K258 PolarHBondContact O-N 2.85Å; P254-K258 VanDerWaalsContact O-N 3.1Å
255	A	98.8	Very high	98.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.4	-47.7	175.3	0	0	0	0	0	111.5	F235 V241 F251 S252 I253 A257 K258 R259 C260 V262	F235-A255 HydrophobicContact CD2-CB 3.77Å; F235-A255 HydrophobicContact CE2-CB 4.03Å; V241-A255 HydrophobicContact CB-CB 4.46Å; V241-A255 HydrophobicContact CG2-CB 4.14Å; F251-A255 VanDerWaalsContact O-CB 3.24Å; F251-A255 WeakPolarHBondContact O-CB 3.31Å; F251-A255 PolarHBondContact O-N 3.35Å; S252-A255 PolarHBondContact O-N 3.06Å; I253-A255 VanDerWaalsContact C-N 3.34Å; I253-A255 PolarHBondContact O-N 3.47Å; A255-A257 VanDerWaalsContact C-N 3.28Å; A255-A257 PolarHBondContact O-N 2.66Å; A255-K258 WeakPolarHBondContact O-CA 3.21Å; A255-K258 WeakPolarHBondContact O-CB 3.34Å; A255-K258 PolarHBondContact O-N 2.97Å; A255-R259 PolarHBondContact O-N 3.16Å; A255-C260 HydrophobicContact CB-CB 4.4Å; A255-C260 WeakPolarHBondContact O-CB 3.47Å; A255-C260 PolarHBondContact O-N 2.92Å; A255-C260 PolarHBondContact O-SG 3.48Å; A255-V262 HydrophobicContact CB-CG2 3.81Å
256	A	98.8	Very high	98.4	Very high	12 Å²	12	21 Å²	21	10%	0.099	11%	0.11	C	C	.	.	H	α-helix	trans	-62.3	-36.6	176.5	0	0	0	0	0	111.7	S252 I253 K258 R259 V262 V284 V286	S252-A256 WeakPolarHBondContact O-CB 3.07Å; S252-A256 PolarHBondContact O-N 3.4Å; I253-A256 PolarHBondContact O-N 3.41Å; A256-K258 PolarHBondContact O-N 2.98Å; A256-R259 WeakPolarHBondContact O-CA 3.26Å; A256-R259 PolarHBondContact O-N 3.41Å; A256-V262 HydrophobicContact CB-CB 4.49Å; A256-V262 HydrophobicContact CB-CG2 3.83Å; A256-V284 HydrophobicContact CB-CB 3.76Å; A256-V284 HydrophobicContact CB-CG1 4.22Å; A256-V284 HydrophobicContact CB-CG2 4.07Å; A256-V286 HydrophobicContact CB-CG2 3.87Å
257	A	98.6	Very high	98.4	Very high	45 Å²	45	24.2 Å²	24.2	37%	0.372	13%	0.127	S	C	.	.	H	α-helix	trans	-65.4	-24.9	174.2	0	0	0	0	0	113.5	H209 I253 P254 A255 R259 V284	H209-A257 VanDerWaalsContact CE1-CB 3.42Å; H209-A257 WeakPolarHBondContact CE1-CB 3.38Å; I253-A257 WeakPolarHBondContact O-CB 3.37Å; I253-A257 PolarHBondContact O-N 2.98Å; P254-A257 PolarHBondContact O-N 3Å; A255-A257 VanDerWaalsContact C-N 3.28Å; A255-A257 PolarHBondContact O-N 2.66Å; A257-R259 PolarHBondContact O-N 2.91Å; A257-V284 HydrophobicContact CB-CG1 4.03Å
258	K	98.2	Very high	98.3	Very high	64 Å²	64	24 Å²	24	28%	0.278	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	5.4	170.2	-67.2	-177	84.4	-177.1	0	113.4	V232 S233 F235 P237 P254 A255 A256	V232-K258 HydrophobicContact CG1-CD 3.76Å; V232-K258 PolarHBondContact O-NZ 3.1Å; S233-K258 PolarHBondContact O-NZ 3.07Å; F235-K258 VanDerWaalsContact O-CE 3.26Å; F235-K258 WeakPolarHBondContact O-CE 2.98Å; F235-K258 PolarHBondContact O-NZ 3.1Å; P237-K258 WeakPolarHBondContact CA-O 3.33Å; P254-K258 WeakPolarHBondContact O-CG 3.39Å; P254-K258 PolarHBondContact O-N 2.85Å; P254-K258 VanDerWaalsContact O-N 3.1Å; A255-K258 WeakPolarHBondContact O-CA 3.21Å; A255-K258 WeakPolarHBondContact O-CB 3.34Å; A255-K258 PolarHBondContact O-N 2.97Å; A256-K258 PolarHBondContact O-N 2.98Å
259	R	98.1	Very high	98.2	Very high	184 Å²	184	27.7 Å²	27.7	69%	0.694	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.4	33.5	-176.3	-49.8	179.2	-69.9	-93.8	1.1	113.2	P237 G238 A255 A256 A257	P237-R259 HydrophobicContact CB-CB 4.34Å; G238-R259 PolarHBondContact N-O 3.21Å; A255-R259 PolarHBondContact O-N 3.16Å; A256-R259 WeakPolarHBondContact O-CA 3.26Å; A256-R259 PolarHBondContact O-N 3.41Å; A257-R259 PolarHBondContact O-N 2.91Å
260	C	98.6	Very high	98.2	Very high	10 Å²	10	30.2 Å²	30.2	7%	0.068	16%	0.163	C	C	.	.			trans	-79.1	150.9	163.7	-54.2	0	0	0	0	109.7	A236 D239 V241 A255 V262	A236-C260 PolarHBondContact O-SG 2.88Å; D239-C260 CarbonylContact O-C 3.43Å; D239-C260 WeakPolarHBondContact O-CA 3.23Å; D239-C260 VanDerWaalsContact O-CB 3.27Å; D239-C260 WeakPolarHBondContact O-CB 3.35Å; V241-C260 HydrophobicContact CG2-CB 3.97Å; A255-C260 HydrophobicContact CB-CB 4.4Å; A255-C260 WeakPolarHBondContact O-CB 3.47Å; A255-C260 PolarHBondContact O-N 2.92Å; A255-C260 PolarHBondContact O-SG 3.48Å; C260-V262 HydrophobicContact CB-CG2 4.14Å
261	T	98.3	Very high	98.1	Very high	67 Å²	67	29.8 Å²	29.8	41%	0.411	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	117.8	163.9	-59.3	0	0	0	0	107.8	D239 V240 V241 I263 M308	D239-T261 PolarHBondContact O-N 2.71Å; V240-T261 CarbonylContact C-O 3.55Å; V240-T261 WeakPolarHBondContact CA-O 3.32Å; V241-T261 PolarHBondContact N-O 2.75Å; T261-I263 HydrophobicContact CG2-CD1 4.01Å; T261-M308 HydrophobicContact CG2-CE 3.61Å
262	V	98.8	Very high	98.1	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.03	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.9	-173	-173.9	0	0	0	0	110.6	V241 A255 A256 C260 V286 E287	V241-V262 HydrophobicContact CB-CG2 4.38Å; V241-V262 WeakPolarHBondContact O-CA 3.41Å; A255-V262 HydrophobicContact CB-CG2 3.81Å; A256-V262 HydrophobicContact CB-CB 4.49Å; A256-V262 HydrophobicContact CB-CG2 3.83Å; C260-V262 HydrophobicContact CB-CG2 4.14Å; V262-V286 HydrophobicContact CB-CG1 4.16Å; V262-V286 HydrophobicContact CB-CG2 4.12Å; V262-V286 HydrophobicContact CG1-CG1 3.8Å; V262-V286 HydrophobicContact CG1-CG2 4.21Å; V262-E287 PolarHBondContact O-N 3.45Å
263	I	98.8	Very high	98.1	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	113	173.2	-53.9	84.8	0	0	0	106.8	V240 V241 F242 D243 T261 E287 F296 V300 V304	V240-I263 HydrophobicContact CG1-CD1 3.79Å; V241-I263 PolarHBondContact O-N 3.46Å; F242-I263 CarbonylContact C-O 3.54Å; F242-I263 VanDerWaalsContact CA-O 3.29Å; F242-I263 WeakPolarHBondContact CA-O 3.3Å; F242-I263 HydrophobicContact CD1-CB 3.73Å; F242-I263 HydrophobicContact CD1-CD1 4.24Å; F242-I263 HydrophobicContact CD1-CG1 4.34Å; F242-I263 HydrophobicContact CD1-CG2 4.21Å; F242-I263 HydrophobicContact CE1-CB 3.85Å; F242-I263 HydrophobicContact CE1-CD1 3.78Å; F242-I263 HydrophobicContact CE1-CG1 3.97Å; F242-I263 HydrophobicContact CE1-CG2 4.28Å; F242-I263 HydrophobicContact CZ-CD1 4.31Å; D243-I263 PolarHBondContact N-O 3.14Å; T261-I263 HydrophobicContact CG2-CD1 4.01Å; I263-E287 CarbonylContact C-O 3.29Å; I263-E287 WeakPolarHBondContact CA-O 3.03Å; I263-E287 HydrophobicContact CG1-CB 4.34Å; I263-E287 HydrophobicContact CG2-CB 4.42Å; I263-E287 HydrophobicContact CG2-CG 4.47Å; I263-F296 HydrophobicContact CB-CZ 4.43Å; I263-F296 HydrophobicContact CG2-CE2 3.7Å; I263-F296 HydrophobicContact CG2-CZ 3.78Å; I263-V300 HydrophobicContact CG2-CG1 4.27Å; I263-V304 HydrophobicContact CD1-CG1 3.86Å; I263-V304 HydrophobicContact CG1-CG1 4.17Å; I263-V304 HydrophobicContact CG1-CG2 4.37Å
264	A	98.8	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	145.2	-172.9	0	0	0	0	0	111	D243 A246 S252 L275 V286 E287 A288 H289	D243-A264 HydrophobicContact CB-CB 4.34Å; D243-A264 CarbonylContact O-C 3.47Å; D243-A264 WeakPolarHBondContact O-CA 3.44Å; A246-A264 HydrophobicContact CB-CB 3.74Å; S252-A264 WeakPolarHBondContact OG-CB 3.41Å; A264-L275 HydrophobicContact CB-CD2 3.65Å; A264-V286 HydrophobicContact CB-CG1 3.54Å; A264-E287 PolarHBondContact N-O 3.23Å; A264-A288 CarbonylContact O-C 3.49Å; A264-A288 WeakPolarHBondContact O-CA 3Å; A264-H289 PolarHBondContact O-N 2.79Å
265	N	98.7	Very high	98	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	144.3	175.9	177.6	74	0	0	0	110.6	D243 V244 F245 A246 H289 L291 F296	D243-N265 PolarHBondContact O-N 3.37Å; V244-N265 CarbonylContact C-O 3.55Å; V244-N265 CarbonylContact O-C 3.55Å; V244-N265 PolarHBondContact O-ND2 2.8Å; F245-N265 CarbonylContact C-O 3.53Å; F245-N265 WeakPolarHBondContact CA-O 3.49Å; F245-N265 PolarHBondContact N-O 3.45Å; A246-N265 WeakPolarHBondContact CB-O 3.38Å; A246-N265 PolarHBondContact N-O 2.91Å; N265-H289 WeakPolarHBondContact CA-O 3.07Å; N265-H289 HydrophobicContact CB-CB 4.38Å; N265-H289 PolarHBondContact OD1-O 2.95Å; N265-L291 PolarHBondContact ND2-O 2.87Å; N265-L291 WeakPolarHBondContact OD1-CA 3.3Å; N265-L291 WeakPolarHBondContact OD1-CB 3.01Å; N265-L291 PolarHBondContact OD1-N 3.2Å; N265-L291 PolarHBondContact OD1-O 3.23Å; N265-F296 HydrophobicContact CB-CB 4.12Å; N265-F296 HydrophobicContact CB-CD1 3.64Å; N265-F296 HydrophobicContact CB-CD2 3.54Å; N265-F296 HydrophobicContact CB-CE1 3.83Å; N265-F296 HydrophobicContact CB-CE2 3.75Å; N265-F296 HydrophobicContact CB-CG 3.48Å; N265-F296 VanDerWaalsContact CB-CG 3.48Å; N265-F296 HydrophobicContact CB-CZ 3.87Å
266	D	98	Very high	98	Very high	20 Å²	20	39.4 Å²	39.4	11%	0.107	21%	0.212	C	C	.	.			trans	-151.6	135.4	165.8	-159.6	-71.2	0	0	0	110	G247 N268 C271 I272 H289 S290	G247-D266 VanDerWaalsContact CA-OD2 3.25Å; G247-D266 WeakPolarHBondContact CA-OD2 3.35Å; G247-D266 PolarHBondContact N-OD2 2.9Å; D266-N268 PolarHBondContact O-N 3.29Å; D266-N268 VanDerWaalsContact OD1-CB 3.28Å; D266-N268 WeakPolarHBondContact OD1-CB 3.34Å; D266-N268 PolarHBondContact OD1-N 2.91Å; D266-C271 HydrophobicContact CB-CB 3.97Å; D266-I272 HydrophobicContact CB-CD1 3.79Å; D266-I272 HydrophobicContact CB-CG1 4.3Å; D266-H289 PolarHBondContact N-O 3.14Å; D266-H289 VanDerWaalsContact N-O 3.1Å; D266-S290 VanDerWaalsContact O-CA 3.24Å; D266-S290 WeakPolarHBondContact O-CA 3.22Å; D266-S290 PolarHBondContact O-OG 3.47Å
267	L	96.9	Very high	98	Very high	67 Å²	67	43.9 Å²	43.9	35%	0.351	23%	0.227	S	C	.	.	S	Bend	trans	-61	-31.6	178	-174.5	67.2	0	0	0	111.4	E185 Y186 S269 S290	E185-L267 HydrophobicContact CB-CD2 4.4Å; E185-L267 HydrophobicContact CG-CD2 4.34Å; Y186-L267 HydrophobicContact CD1-CG 4.48Å; Y186-L267 HydrophobicContact CE1-CD2 4.33Å; Y186-L267 HydrophobicContact CE1-CG 4.04Å; L267-S269 PolarHBondContact O-N 2.94Å; L267-S290 PolarHBondContact O-OG 2.95Å
268	N	95.4	Very high	98	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.027	21%	0.209	C	C	.	.			trans	-81.1	110.1	178	-174	-3.1	0	0	0	111.2	Y186 K217 D266 D270 C271 I272	Y186-N268 HydrophobicContact CD1-CB 3.54Å; Y186-N268 HydrophobicContact CE1-CB 4.23Å; Y186-N268 HydrophobicContact CG-CB 4.15Å; K217-N268 PolarHBondContact O-ND2 3.35Å; D266-N268 PolarHBondContact O-N 3.29Å; D266-N268 VanDerWaalsContact OD1-CB 3.28Å; D266-N268 WeakPolarHBondContact OD1-CB 3.34Å; D266-N268 PolarHBondContact OD1-N 2.91Å; N268-D270 PolarHBondContact O-N 2.94Å; N268-D270 WeakPolarHBondContact OD1-CB 3.29Å; N268-D270 PolarHBondContact OD1-N 3.4Å; N268-C271 HydrophobicContact CB-CB 4.13Å; N268-C271 VanDerWaalsContact O-CB 3.23Å; N268-C271 WeakPolarHBondContact O-CB 3.4Å; N268-C271 PolarHBondContact O-N 2.85Å; N268-I272 PolarHBondContact O-N 3.37Å
269	S	96.4	Very high	98.1	Very high	80 Å²	80	39.2 Å²	39.2	56%	0.559	20%	0.199	S	C	*	.	H	α-helix	trans	-60.7	-27.6	177	66.2	0	0	0	0	114.4	L267 C271 I272 A273	L267-S269 PolarHBondContact O-N 2.94Å; S269-C271 VanDerWaalsContact C-N 3.32Å; S269-C271 PolarHBondContact O-N 3.44Å; S269-I272 PolarHBondContact O-N 3.41Å; S269-A273 PolarHBondContact O-N 3.09Å
270	D	96.7	Very high	98.1	Very high	53 Å²	53	37.7 Å²	37.7	28%	0.283	20%	0.2	S	C	.	.	H	α-helix	trans	-63.9	-39.5	173.1	-76.5	-67.3	0	0	0	110.6	K217 V218 N268 I272 A273 W274	K217-D270 HydrophobicContact CB-CB 4.25Å; K217-D270 IonicContact NZ-OD1 3.49Å; K217-D270 PolarHBondContact NZ-OD1 3.46Å; V218-D270 HydrophobicContact CG1-CB 4.36Å; N268-D270 PolarHBondContact O-N 2.94Å; N268-D270 WeakPolarHBondContact OD1-CB 3.29Å; N268-D270 PolarHBondContact OD1-N 3.4Å; D270-I272 VanDerWaalsContact C-N 3.28Å; D270-I272 PolarHBondContact O-N 2.8Å; D270-A273 PolarHBondContact O-N 3.1Å; D270-W274 PolarHBondContact O-N 3.49Å
271	C	97.5	Very high	98.1	Very high	4 Å²	4	40 Å²	40	3%	0.027	21%	0.211	C	C	.	.	H	α-helix	trans	-57.9	-42.9	175.1	-74.8	0	0	0	0	111.1	G247 D266 N268 S269 W274 L275	G247-C271 WeakPolarHBondContact O-CB 3.24Å; D266-C271 HydrophobicContact CB-CB 3.97Å; N268-C271 HydrophobicContact CB-CB 4.13Å; N268-C271 VanDerWaalsContact O-CB 3.23Å; N268-C271 WeakPolarHBondContact O-CB 3.4Å; N268-C271 PolarHBondContact O-N 2.85Å; S269-C271 VanDerWaalsContact C-N 3.32Å; S269-C271 PolarHBondContact O-N 3.44Å; C271-W274 PolarHBondContact O-N 2.93Å; C271-L275 VanDerWaalsContact O-CB 3.31Å; C271-L275 WeakPolarHBondContact O-CB 3.49Å; C271-L275 PolarHBondContact O-N 3.15Å
272	I	98.1	Very high	98.1	Very high	14 Å²	14	38.3 Å²	38.3	7%	0.072	20%	0.2	C	C	.	.	H	α-helix	trans	-66.1	-42.2	178.6	-59.9	-52.9	0	0	0	112.1	D266 N268 S269 D270 W274 L275 Q276 A288 H289	D266-I272 HydrophobicContact CB-CD1 3.79Å; D266-I272 HydrophobicContact CB-CG1 4.3Å; N268-I272 PolarHBondContact O-N 3.37Å; S269-I272 PolarHBondContact O-N 3.41Å; D270-I272 VanDerWaalsContact C-N 3.28Å; D270-I272 PolarHBondContact O-N 2.8Å; I272-W274 VanDerWaalsContact C-N 3.33Å; I272-W274 PolarHBondContact O-N 3.34Å; I272-L275 HydrophobicContact CD1-CD2 4.25Å; I272-L275 PolarHBondContact O-N 2.92Å; I272-Q276 WeakPolarHBondContact O-CG 3.34Å; I272-Q276 PolarHBondContact O-N 2.9Å; I272-A288 HydrophobicContact CD1-CB 4.43Å; I272-A288 HydrophobicContact CG2-CB 3.93Å; I272-H289 WeakPolarHBondContact CD1-O 3.38Å; I272-H289 WeakPolarHBondContact CG1-O 3.18Å
273	A	98.2	Very high	98.1	Very high	54 Å²	54	47.4 Å²	47.4	45%	0.446	24%	0.239	S	C	.	.	H	α-helix	trans	-60.2	-43.3	174.7	0	0	0	0	0	111.8	S269 D270 R277	S269-A273 PolarHBondContact O-N 3.09Å; D270-A273 PolarHBondContact O-N 3.1Å; A273-R277 PolarHBondContact O-N 3.18Å; A273-R277 VanDerWaalsContact O-N 3.12Å
274	W	98.5	Very high	98.1	Very high	41 Å²	41	48.6 Å²	48.6	16%	0.155	25%	0.246	C	C	.	.	H	α-helix	trans	-68.9	-39.3	175.7	-72.3	114.6	0	0	0	112.7	V201 D212 D214 V248 D270 C271 I272 Q276 R277 N278	V201-W274 HydrophobicContact CG1-CH2 3.7Å; V201-W274 HydrophobicContact CG1-CZ2 4.46Å; V201-W274 HydrophobicContact CG1-CZ3 4.37Å; V201-W274 HydrophobicContact CG2-CH2 4.16Å; V201-W274 HydrophobicContact CG2-CZ2 4.19Å; D212-W274 HydrophobicContact CB-CE3 4Å; D212-W274 HydrophobicContact CB-CZ3 3.8Å; D214-W274 HydrophobicContact CB-CZ2 3.64Å; D214-W274 VanDerWaalsContact N-CE2 3.33Å; V248-W274 HydrophobicContact CB-CB 4.24Å; V248-W274 HydrophobicContact CG1-CB 3.68Å; V248-W274 HydrophobicContact CG1-CG 4.35Å; D270-W274 PolarHBondContact O-N 3.49Å; C271-W274 PolarHBondContact O-N 2.93Å; I272-W274 VanDerWaalsContact C-N 3.33Å; I272-W274 PolarHBondContact O-N 3.34Å; W274-Q276 PolarHBondContact O-N 2.99Å; W274-R277 WeakPolarHBondContact O-CB 3.17Å; W274-R277 PolarHBondContact O-N 3.05Å; W274-N278 WeakPolarHBondContact O-CB 3.49Å; W274-N278 PolarHBondContact O-N 3.37Å; W274-N278 PolarHBondContact O-ND2 3.36Å; W274-N278 VanDerWaalsContact O-ND2 3.13Å
275	L	98.7	Very high	98.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-57.5	-47.2	174	171.6	64.5	0	0	0	111.1	A246 I253 A264 C271 I272 R277 N278 C279 V286 A288	A246-L275 HydrophobicContact CB-CD2 4.46Å; I253-L275 HydrophobicContact CD1-CD1 4.03Å; I253-L275 HydrophobicContact CG1-CD1 4.19Å; A264-L275 HydrophobicContact CB-CD2 3.65Å; C271-L275 VanDerWaalsContact O-CB 3.31Å; C271-L275 WeakPolarHBondContact O-CB 3.49Å; C271-L275 PolarHBondContact O-N 3.15Å; I272-L275 HydrophobicContact CD1-CD2 4.25Å; I272-L275 PolarHBondContact O-N 2.92Å; L275-R277 PolarHBondContact O-N 3.3Å; L275-N278 CarbonylContact O-C 3.53Å; L275-N278 PolarHBondContact O-N 3.19Å; L275-N278 VanDerWaalsContact O-N 3.12Å; L275-C279 PolarHBondContact O-N 3.11Å; L275-C279 PolarHBondContact O-SG 3.2Å; L275-V286 HydrophobicContact CD2-CG1 4.32Å; L275-A288 HydrophobicContact CD2-CB 3.86Å
276	Q	98.6	Very high	98.1	Very high	102 Å²	102	54.5 Å²	54.5	48%	0.477	29%	0.287	S	S	.	.	H	α-helix	trans	-62.5	-42.3	177.6	-72.5	175.1	-13	0	0	111.9	I272 W274 N278 C279 Q280	I272-Q276 WeakPolarHBondContact O-CG 3.34Å; I272-Q276 PolarHBondContact O-N 2.9Å; W274-Q276 PolarHBondContact O-N 2.99Å; Q276-N278 VanDerWaalsContact C-N 3.31Å; Q276-N278 PolarHBondContact O-N 3.26Å; Q276-C279 WeakPolarHBondContact O-CB 3.38Å; Q276-C279 PolarHBondContact O-N 3.46Å; Q276-Q280 PolarHBondContact O-N 2.88Å
277	R	98.6	Very high	98.1	Very high	106 Å²	106	58.2 Å²	58.2	40%	0.4	30%	0.303	S	S	.	.	H	α-helix	trans	-60	-42.6	172	179.3	176.6	177	80.1	1.5	111.5	D212 A273 W274 L275 C279 Q280 L281	D212-R277 IonicContact OD2-CZ 3.19Å; D212-R277 IonicContact OD2-NE 2.81Å; D212-R277 PolarHBondContact OD2-NE 2.91Å; D212-R277 IonicContact OD2-NH2 2.74Å; D212-R277 PolarHBondContact OD2-NH2 3.18Å; A273-R277 PolarHBondContact O-N 3.18Å; A273-R277 VanDerWaalsContact O-N 3.12Å; W274-R277 WeakPolarHBondContact O-CB 3.17Å; W274-R277 PolarHBondContact O-N 3.05Å; L275-R277 PolarHBondContact O-N 3.3Å; R277-C279 VanDerWaalsContact C-N 3.31Å; R277-C279 PolarHBondContact O-N 2.84Å; R277-Q280 WeakPolarHBondContact O-CB 3.37Å; R277-Q280 PolarHBondContact O-N 3.44Å; R277-L281 HydrophobicContact CG-CD1 4.34Å; R277-L281 WeakPolarHBondContact O-CG 3.46Å; R277-L281 PolarHBondContact O-N 2.96Å
278	N	98.9	Very high	98.2	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-69	-31	-180	-66.7	-24.2	0	0	0	112.2	F211 D212 V248 I253 W274 L275 Q276 L281 N282	F211-N278 WeakPolarHBondContact CA-OD1 3.41Å; F211-N278 HydrophobicContact CD1-CB 4.24Å; D212-N278 PolarHBondContact N-OD1 3.46Å; D212-N278 PolarHBondContact O-ND2 2.85Å; D212-N278 PolarHBondContact O-OD1 3.45Å; V248-N278 PolarHBondContact O-ND2 2.84Å; V248-N278 VanDerWaalsContact O-ND2 3.11Å; I253-N278 HydrophobicContact CD1-CB 4.2Å; I253-N278 HydrophobicContact CG1-CB 4.24Å; W274-N278 WeakPolarHBondContact O-CB 3.49Å; W274-N278 PolarHBondContact O-N 3.37Å; W274-N278 PolarHBondContact O-ND2 3.36Å; W274-N278 VanDerWaalsContact O-ND2 3.13Å; L275-N278 CarbonylContact O-C 3.53Å; L275-N278 PolarHBondContact O-N 3.19Å; L275-N278 VanDerWaalsContact O-N 3.12Å; Q276-N278 VanDerWaalsContact C-N 3.31Å; Q276-N278 PolarHBondContact O-N 3.26Å; N278-L281 PolarHBondContact O-N 3.2Å; N278-N282 PolarHBondContact O-N 2.81Å; N278-N282 PolarHBondContact O-ND2 2.9Å
279	C	98.8	Very high	98.3	Very high	11 Å²	11	58.2 Å²	58.2	7%	0.074	31%	0.306	C	S	.	.	H	α-helix	trans	-58.2	-48	169	-68.5	0	0	0	0	110.9	I253 L275 Q276 R277 L281 N282 K283 V284	I253-C279 HydrophobicContact CD1-CB 4.24Å; I253-C279 WeakPolarHBondContact CD1-SG 3.15Å; L275-C279 PolarHBondContact O-N 3.11Å; L275-C279 PolarHBondContact O-SG 3.2Å; Q276-C279 WeakPolarHBondContact O-CB 3.38Å; Q276-C279 PolarHBondContact O-N 3.46Å; R277-C279 VanDerWaalsContact C-N 3.31Å; R277-C279 PolarHBondContact O-N 2.84Å; C279-L281 PolarHBondContact O-N 2.84Å; C279-N282 CarbonylContact O-C 3.56Å; C279-N282 PolarHBondContact O-N 2.96Å; C279-K283 WeakPolarHBondContact O-CA 3.21Å; C279-K283 PolarHBondContact O-N 3.49Å; C279-V284 CarbonylContact C-O 3.57Å; C279-V284 HydrophobicContact CB-CG2 4.31Å; C279-V284 WeakPolarHBondContact CB-O 3.27Å; C279-V284 PolarHBondContact O-N 3.47Å
280	Q	98.5	Very high	98.4	Very high	151 Å²	151	57 Å²	57	71%	0.706	30%	0.297	S	S	*	.	H	α-helix	trans	-62.1	-44.6	177.2	-62.3	171.7	13.4	0	0	112	Q276 R277 N282 K283	Q276-Q280 PolarHBondContact O-N 2.88Å; R277-Q280 WeakPolarHBondContact O-CB 3.37Å; R277-Q280 PolarHBondContact O-N 3.44Å; Q280-N282 VanDerWaalsContact C-N 3.29Å; Q280-N282 PolarHBondContact O-N 3.47Å; Q280-K283 PolarHBondContact O-N 3.38Å
281	L	98.5	Very high	98.4	Very high	59 Å²	59	56.5 Å²	56.5	31%	0.309	30%	0.295	S	S	.	.	H	α-helix	trans	-61.8	-36.3	179.8	-69.6	173.7	0	0	0	113	D212 R277 N278 C279	D212-L281 HydrophobicContact CB-CD1 3.91Å; D212-L281 VanDerWaalsContact CG-CD1 3.48Å; D212-L281 WeakPolarHBondContact OD2-CD1 3.12Å; R277-L281 HydrophobicContact CG-CD1 4.34Å; R277-L281 WeakPolarHBondContact O-CG 3.46Å; R277-L281 PolarHBondContact O-N 2.96Å; N278-L281 PolarHBondContact O-N 3.2Å; C279-L281 PolarHBondContact O-N 2.84Å
282	N	98.8	Very high	98.4	Very high	32 Å²	32	59.9 Å²	59.9	17%	0.171	31%	0.312	C	S	.	.	H	α-helix	trans	-97.8	0.4	-178.6	-63.6	-83.4	0	0	0	113.3	H209 V210 I253 N278 C279 Q280 V284	H209-N282 WeakPolarHBondContact CA-OD1 3.3Å; V210-N282 PolarHBondContact N-OD1 3.14Å; V210-N282 PolarHBondContact O-ND2 2.97Å; I253-N282 HydrophobicContact CG2-CB 3.73Å; N278-N282 PolarHBondContact O-N 2.81Å; N278-N282 PolarHBondContact O-ND2 2.9Å; C279-N282 CarbonylContact O-C 3.56Å; C279-N282 PolarHBondContact O-N 2.96Å; Q280-N282 VanDerWaalsContact C-N 3.29Å; Q280-N282 PolarHBondContact O-N 3.47Å; N282-V284 VanDerWaalsContact C-N 3.33Å; N282-V284 HydrophobicContact CB-CG2 4.28Å; N282-V284 PolarHBondContact O-N 2.94Å
283	K	98.5	Very high	98.4	Very high	195 Å²	195	59.4 Å²	59.4	85%	0.848	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	44.3	-179.7	-51.2	176.3	-177.6	-180	0	112.5	C279 Q280	C279-K283 WeakPolarHBondContact O-CA 3.21Å; C279-K283 PolarHBondContact O-N 3.49Å; Q280-K283 PolarHBondContact O-N 3.38Å
284	V	98.7	Very high	98.4	Very high	27 Å²	27	61.2 Å²	61.2	16%	0.164	31%	0.309	C	S	.	.			trans	-121.2	164.2	176	-61.9	0	0	0	0	110.2	I253 A256 A257 C279 N282	I253-V284 HydrophobicContact CD1-CG2 3.69Å; I253-V284 HydrophobicContact CG2-CG2 4.21Å; A256-V284 HydrophobicContact CB-CB 3.76Å; A256-V284 HydrophobicContact CB-CG1 4.22Å; A256-V284 HydrophobicContact CB-CG2 4.07Å; A257-V284 HydrophobicContact CB-CG1 4.03Å; C279-V284 CarbonylContact C-O 3.57Å; C279-V284 HydrophobicContact CB-CG2 4.31Å; C279-V284 WeakPolarHBondContact CB-O 3.27Å; C279-V284 PolarHBondContact O-N 3.47Å; N282-V284 VanDerWaalsContact C-N 3.33Å; N282-V284 HydrophobicContact CB-CG2 4.28Å; N282-V284 PolarHBondContact O-N 2.94Å
285	S	98.3	Very high	98.3	Very high	107 Å²	107	64.3 Å²	64.3	75%	0.748	32%	0.323	S	S	*	.			trans	-119.2	133.2	174.9	-170.7	0	0	0	0	109.4
286	V	98.7	Very high	98.3	Very high	17 Å²	17	64.3 Å²	64.3	10%	0.103	32%	0.323	C	S	.	.			trans	-136.2	130.4	176.5	175.4	0	0	0	0	107.1	A256 V262 A264 L275	A256-V286 HydrophobicContact CB-CG2 3.87Å; V262-V286 HydrophobicContact CB-CG1 4.16Å; V262-V286 HydrophobicContact CB-CG2 4.12Å; V262-V286 HydrophobicContact CG1-CG1 3.8Å; V262-V286 HydrophobicContact CG1-CG2 4.21Å; A264-V286 HydrophobicContact CB-CG1 3.54Å; L275-V286 HydrophobicContact CD2-CG1 4.32Å
287	E	98.5	Very high	98.3	Very high	97 Å²	97	59.4 Å²	59.4	45%	0.453	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	121.5	169.2	-174.5	-177.4	140.3	0	0	108.3	V262 I263 A264 H289	V262-E287 PolarHBondContact O-N 3.45Å; I263-E287 CarbonylContact C-O 3.29Å; I263-E287 WeakPolarHBondContact CA-O 3.03Å; I263-E287 HydrophobicContact CG1-CB 4.34Å; I263-E287 HydrophobicContact CG2-CB 4.42Å; I263-E287 HydrophobicContact CG2-CG 4.47Å; A264-E287 PolarHBondContact N-O 3.23Å; E287-H289 IonicContact OE1-CD2 3.85Å; E287-H289 IonicContact OE1-CE1 3.46Å; E287-H289 PolarHBondContact OE1-CE1 2.87Å; E287-H289 IonicContact OE1-NE2 2.72Å; E287-H289 PolarHBondContact OE1-NE2 3.27Å
288	A	98.4	Very high	98.2	Very high	27 Å²	27	58.6 Å²	58.6	22%	0.223	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131	-170.2	0	0	0	0	0	112.2	A264 I272 L275	A264-A288 CarbonylContact O-C 3.49Å; A264-A288 WeakPolarHBondContact O-CA 3Å; I272-A288 HydrophobicContact CD1-CB 4.43Å; I272-A288 HydrophobicContact CG2-CB 3.93Å; L275-A288 HydrophobicContact CD2-CB 3.86Å
289	H	98.5	Very high	98.1	Very high	45 Å²	45	61.7 Å²	61.7	21%	0.208	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	149.9	-178	-66.7	-90.4	0	0	0	111.3	A264 N265 D266 I272 E287 L291 F296	A264-H289 PolarHBondContact O-N 2.79Å; N265-H289 WeakPolarHBondContact CA-O 3.07Å; N265-H289 HydrophobicContact CB-CB 4.38Å; N265-H289 PolarHBondContact OD1-O 2.95Å; D266-H289 PolarHBondContact N-O 3.14Å; D266-H289 VanDerWaalsContact N-O 3.1Å; I272-H289 WeakPolarHBondContact CD1-O 3.38Å; I272-H289 WeakPolarHBondContact CG1-O 3.18Å; E287-H289 IonicContact OE1-CD2 3.85Å; E287-H289 IonicContact OE1-CE1 3.46Å; E287-H289 PolarHBondContact OE1-CE1 2.87Å; E287-H289 IonicContact OE1-NE2 2.72Å; E287-H289 PolarHBondContact OE1-NE2 3.27Å; H289-L291 HydrophobicContact CB-CD1 4.24Å; H289-L291 HydrophobicContact CB-CG 4.24Å; H289-F296 HydrophobicContact CB-CD2 4.39Å
290	S	97.9	Very high	98	Very high	54 Å²	54	62.1 Å²	62.1	38%	0.378	32%	0.321	S	S	.	.			trans	-119.7	79.1	170.2	-162.6	0	0	0	0	110.2	D266 L267	D266-S290 VanDerWaalsContact O-CA 3.24Å; D266-S290 WeakPolarHBondContact O-CA 3.22Å; D266-S290 PolarHBondContact O-OG 3.47Å; L267-S290 PolarHBondContact O-OG 2.95Å
291	L	98	Very high	98	Very high	43 Å²	43	54.9 Å²	54.9	23%	0.225	29%	0.287	C	S	.	.	S	Bend	trans	-126.9	159.7	-176.2	-57.4	173.4	0	0	0	110.8	N265 H289 G293 K295 V300	N265-L291 PolarHBondContact ND2-O 2.87Å; N265-L291 WeakPolarHBondContact OD1-CA 3.3Å; N265-L291 WeakPolarHBondContact OD1-CB 3.01Å; N265-L291 PolarHBondContact OD1-N 3.2Å; N265-L291 PolarHBondContact OD1-O 3.23Å; H289-L291 HydrophobicContact CB-CD1 4.24Å; H289-L291 HydrophobicContact CB-CG 4.24Å; L291-G293 PolarHBondContact O-N 3.47Å; L291-K295 HydrophobicContact CD2-CD 4.38Å; L291-V300 HydrophobicContact CD1-CG2 3.65Å
292	D	97.3	Very high	97.7	Very high	75 Å²	75	52.8 Å²	52.8	40%	0.401	28%	0.277	S	S	.	.			trans	-54.7	134.4	160.8	178.5	-87.5	0	0	0	109.9	K294 K295 F296	D292-K294 PolarHBondContact O-N 2.77Å; D292-K294 WeakPolarHBondContact OD1-CA 3.24Å; D292-K294 WeakPolarHBondContact OD1-CB 3.22Å; D292-K294 PolarHBondContact OD1-N 2.87Å; D292-K295 HydrophobicContact CB-CB 4.32Å; D292-K295 WeakPolarHBondContact O-CA 3.4Å; D292-K295 WeakPolarHBondContact O-CB 3.27Å; D292-K295 PolarHBondContact O-N 3.48Å; D292-K295 PolarHBondContact OD1-N 3.42Å; D292-F296 PolarHBondContact O-N 2.95Å
293	G	97.6	Very high	97.6	Very high	4 Å²	4	58.1 Å²	58.1	4%	0.041	30%	0.299	C	S	.	.	H	α-helix	trans	-59.3	-31	-175.1	0	0	0	0	0	113.6	L291 L297	L291-G293 PolarHBondContact O-N 3.47Å; G293-L297 WeakPolarHBondContact O-CB 3.01Å; G293-L297 VanDerWaalsContact O-CG 3.27Å; G293-L297 WeakPolarHBondContact O-CG 3.25Å; G293-L297 PolarHBondContact O-N 3.02Å
294	K	97.6	Very high	97.4	Very high	93 Å²	93	49.6 Å²	49.6	40%	0.404	26%	0.263	S	S	.	.	H	α-helix	trans	-69.2	-43.7	175.3	-58.9	-177.1	176.4	176.2	0	110.2	D292 F296 L297 M298 F331 S334	D292-K294 PolarHBondContact O-N 2.77Å; D292-K294 WeakPolarHBondContact OD1-CA 3.24Å; D292-K294 WeakPolarHBondContact OD1-CB 3.22Å; D292-K294 PolarHBondContact OD1-N 2.87Å; K294-F296 VanDerWaalsContact C-N 3.31Å; K294-F296 PolarHBondContact O-N 2.72Å; K294-L297 PolarHBondContact O-N 3.28Å; K294-M298 HydrophobicContact CB-CE 4.08Å; K294-M298 WeakPolarHBondContact O-CB 3.5Å; K294-M298 VanDerWaalsContact O-CG 3.26Å; K294-M298 WeakPolarHBondContact O-CG 3.37Å; K294-M298 PolarHBondContact O-N 3.02Å; K294-F331 HydrophobicContact CB-CD1 4.39Å; K294-F331 HydrophobicContact CG-CD1 3.48Å; K294-F331 VanDerWaalsContact CG-CD1 3.48Å; K294-F331 HydrophobicContact CG-CE1 3.64Å; K294-F331 HydrophobicContact CG-CG 4.43Å; K294-S334 WeakPolarHBondContact CG-OG 2.99Å
295	K	97.9	Very high	97.1	Very high	105 Å²	105	48.3 Å²	48.3	46%	0.457	26%	0.255	S	S	.	.	H	α-helix	trans	-61.7	-42.2	176.7	-170.5	177.8	178.1	178.1	0	111.2	L291 D292 M298 D299	L291-K295 HydrophobicContact CD2-CD 4.38Å; D292-K295 HydrophobicContact CB-CB 4.32Å; D292-K295 WeakPolarHBondContact O-CA 3.4Å; D292-K295 WeakPolarHBondContact O-CB 3.27Å; D292-K295 PolarHBondContact O-N 3.48Å; D292-K295 PolarHBondContact OD1-N 3.42Å; K295-M298 PolarHBondContact O-N 2.94Å; K295-D299 WeakPolarHBondContact CE-OD2 3.4Å; K295-D299 HydrophobicContact CG-CB 4.49Å; K295-D299 WeakPolarHBondContact CG-OD2 3.39Å; K295-D299 VanDerWaalsContact O-CB 3.25Å; K295-D299 WeakPolarHBondContact O-CB 3.47Å; K295-D299 PolarHBondContact O-N 3.07Å
296	F	98.4	Very high	96.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	I	π-helix	trans	-57.8	-49.5	174.5	179.7	-111.2	0	0	0	111.9	F242 V244 I263 N265 H289 D292 K294 V300 C301	F242-F296 HydrophobicContact CB-CE1 4.3Å; F242-F296 HydrophobicContact CD1-CE1 4.41Å; F242-F296 HydrophobicContact CD1-CZ 4Å; V244-F296 HydrophobicContact CB-CD1 4.42Å; V244-F296 HydrophobicContact CG1-CD1 4.23Å; V244-F296 HydrophobicContact CG2-CD1 4.21Å; V244-F296 HydrophobicContact CG2-CE1 4.19Å; I263-F296 HydrophobicContact CB-CZ 4.43Å; I263-F296 HydrophobicContact CG2-CE2 3.7Å; I263-F296 HydrophobicContact CG2-CZ 3.78Å; N265-F296 HydrophobicContact CB-CB 4.12Å; N265-F296 HydrophobicContact CB-CD1 3.64Å; N265-F296 HydrophobicContact CB-CD2 3.54Å; N265-F296 HydrophobicContact CB-CE1 3.83Å; N265-F296 HydrophobicContact CB-CE2 3.75Å; N265-F296 HydrophobicContact CB-CG 3.48Å; N265-F296 VanDerWaalsContact CB-CG 3.48Å; N265-F296 HydrophobicContact CB-CZ 3.87Å; H289-F296 HydrophobicContact CB-CD2 4.39Å; D292-F296 PolarHBondContact O-N 2.95Å; K294-F296 VanDerWaalsContact C-N 3.31Å; K294-F296 PolarHBondContact O-N 2.72Å; F296-V300 HydrophobicContact CD2-CB 3.7Å; F296-V300 HydrophobicContact CD2-CG1 3.95Å; F296-V300 HydrophobicContact CD2-CG2 4.04Å; F296-V300 HydrophobicContact CE2-CB 3.99Å; F296-V300 HydrophobicContact CE2-CG1 3.74Å; F296-V300 WeakPolarHBondContact O-CB 3.45Å; F296-V300 PolarHBondContact O-N 2.77Å; F296-C301 WeakPolarHBondContact CE1-SG 3.2Å; F296-C301 PolarHBondContact O-N 2.74Å; F296-C301 PolarHBondContact O-SG 3.3Å
297	L	98.3	Very high	96.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.246	C	C	.	.	I	π-helix	trans	-66.7	-36.2	179.9	-71.8	174.1	0	0	0	114.2	V244 G293 K294 P302 V320 M322 F331 L335	V244-L297 HydrophobicContact CG1-CD1 4.36Å; V244-L297 HydrophobicContact CG1-CG 4.27Å; V244-L297 HydrophobicContact CG2-CD2 3.69Å; V244-L297 HydrophobicContact CG2-CG 4.25Å; G293-L297 WeakPolarHBondContact O-CB 3.01Å; G293-L297 VanDerWaalsContact O-CG 3.27Å; G293-L297 WeakPolarHBondContact O-CG 3.25Å; G293-L297 PolarHBondContact O-N 3.02Å; K294-L297 PolarHBondContact O-N 3.28Å; L297-P302 VanDerWaalsContact O-CD 3.28Å; L297-P302 WeakPolarHBondContact O-CD 3.22Å; L297-V320 HydrophobicContact CD2-CG1 3.91Å; L297-M322 HydrophobicContact CD1-CE 4.07Å; L297-F331 HydrophobicContact CD1-CB 3.96Å; L297-L335 HydrophobicContact CD2-CD2 3.77Å
298	M	96.7	Very high	96	Very high	89 Å²	89	43.2 Å²	43.2	44%	0.438	23%	0.23	S	C	.	.	I	π-helix	trans	-85.7	-33.8	-177.2	-66.4	-177.2	-51.7	0	0	113.1	K294 K295 P302 S334	K294-M298 HydrophobicContact CB-CE 4.08Å; K294-M298 WeakPolarHBondContact O-CB 3.5Å; K294-M298 VanDerWaalsContact O-CG 3.26Å; K294-M298 WeakPolarHBondContact O-CG 3.37Å; K294-M298 PolarHBondContact O-N 3.02Å; K295-M298 PolarHBondContact O-N 2.94Å; M298-P302 WeakPolarHBondContact O-CG 3.48Å; M298-S334 WeakPolarHBondContact CG-O 3.32Å
299	D	96.1	Very high	95.5	Very high	64 Å²	64	44.5 Å²	44.5	34%	0.342	23%	0.231	S	C	.	.	I	π-helix	trans	-105.9	-49.5	-172.6	-62.2	-15.2	0	0	0	112.5	K295 K303	K295-D299 WeakPolarHBondContact CE-OD2 3.4Å; K295-D299 HydrophobicContact CG-CB 4.49Å; K295-D299 WeakPolarHBondContact CG-OD2 3.39Å; K295-D299 VanDerWaalsContact O-CB 3.25Å; K295-D299 WeakPolarHBondContact O-CB 3.47Å; K295-D299 PolarHBondContact O-N 3.07Å; D299-K303 WeakPolarHBondContact O-CB 3.3Å; D299-K303 WeakPolarHBondContact O-CD 3.25Å; D299-K303 WeakPolarHBondContact O-CG 3.47Å
300	V	97.8	Very high	95	Very high	20 Å²	20	50.3 Å²	50.3	12%	0.121	26%	0.259	C	S	.	.	I	π-helix	trans	-82.4	-54	-169.4	-179.6	0	0	0	0	110.5	I263 L291 F296 K303 V304	I263-V300 HydrophobicContact CG2-CG1 4.27Å; L291-V300 HydrophobicContact CD1-CG2 3.65Å; F296-V300 HydrophobicContact CD2-CB 3.7Å; F296-V300 HydrophobicContact CD2-CG1 3.95Å; F296-V300 HydrophobicContact CD2-CG2 4.04Å; F296-V300 HydrophobicContact CE2-CB 3.99Å; F296-V300 HydrophobicContact CE2-CG1 3.74Å; F296-V300 WeakPolarHBondContact O-CB 3.45Å; F296-V300 PolarHBondContact O-N 2.77Å; V300-K303 PolarHBondContact O-N 3.18Å; V300-V304 HydrophobicContact CG1-CG2 4.17Å; V300-V304 WeakPolarHBondContact O-CG2 3.36Å; V300-V304 PolarHBondContact O-N 3.2Å
301	C	97	Very high	94.5	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-56.2	-47.3	-175.5	-55.4	0	0	0	0	113.2	F242 F296 K303 V304 I305 M338	F242-C301 HydrophobicContact CD1-CB 3.96Å; F242-C301 WeakPolarHBondContact CD1-SG 3.23Å; F242-C301 HydrophobicContact CD2-CB 4.35Å; F242-C301 HydrophobicContact CE1-CB 3.86Å; F242-C301 HydrophobicContact CE2-CB 4.22Å; F242-C301 HydrophobicContact CG-CB 4.22Å; F242-C301 HydrophobicContact CZ-CB 3.99Å; F296-C301 WeakPolarHBondContact CE1-SG 3.2Å; F296-C301 PolarHBondContact O-N 2.74Å; F296-C301 PolarHBondContact O-SG 3.3Å; C301-K303 PolarHBondContact O-N 2.66Å; C301-V304 PolarHBondContact O-N 3.46Å; C301-I305 PolarHBondContact O-N 2.66Å; C301-M338 HydrophobicContact CB-CE 4.37Å; C301-M338 HydrophobicContact CB-CG 4.04Å; C301-M338 HydrophobicContact CB-SD 3.55Å; C301-M338 VanDerWaalsContact CB-SD 3.55Å
302	P	93.9	Very high	93.7	Very high	15 Å²	15	57.6 Å²	57.6	10%	0.097	29%	0.293	C	S	.	.	H	α-helix	trans	-66.6	-37.8	179.9	-21.2	35.5	0	0	0	112.5	L297 M298 V304 I305 A306 M338 L341	L297-P302 VanDerWaalsContact O-CD 3.28Å; L297-P302 WeakPolarHBondContact O-CD 3.22Å; M298-P302 WeakPolarHBondContact O-CG 3.48Å; P302-V304 PolarHBondContact O-N 3.22Å; P302-I305 PolarHBondContact O-N 3.3Å; P302-A306 WeakPolarHBondContact O-CB 3.47Å; P302-A306 PolarHBondContact O-N 2.82Å; P302-M338 HydrophobicContact CG-CG 3.94Å; P302-L341 HydrophobicContact CB-CD1 3.89Å; P302-L341 WeakPolarHBondContact O-CD1 3.35Å
303	K	94.8	Very high	92.8	Very high	144 Å²	144	56.8 Å²	56.8	63%	0.626	29%	0.294	S	S	*	.	H	α-helix	trans	-64.6	-40	177.4	-74.8	177.5	-169.3	169.5	0	112.3	D299 V300 C301 S307	D299-K303 WeakPolarHBondContact O-CB 3.3Å; D299-K303 WeakPolarHBondContact O-CD 3.25Å; D299-K303 WeakPolarHBondContact O-CG 3.47Å; V300-K303 PolarHBondContact O-N 3.18Å; C301-K303 PolarHBondContact O-N 2.66Å; K303-S307 WeakPolarHBondContact O-CB 3.44Å; K303-S307 PolarHBondContact O-N 3.34Å; K303-S307 PolarHBondContact O-OG 3.34Å
304	V	94.7	Very high	92.2	Very high	16 Å²	16	61.7 Å²	61.7	10%	0.097	33%	0.334	C	S	.	.	H	α-helix	trans	-61.1	-50.3	176.2	171	0	0	0	0	110	F242 I263 V300 C301 P302 S307 M308	F242-V304 HydrophobicContact CE1-CB 4.04Å; F242-V304 HydrophobicContact CE1-CG1 4.07Å; F242-V304 HydrophobicContact CE1-CG2 4.37Å; F242-V304 HydrophobicContact CZ-CB 3.98Å; F242-V304 HydrophobicContact CZ-CG1 3.91Å; I263-V304 HydrophobicContact CD1-CG1 3.86Å; I263-V304 HydrophobicContact CG1-CG1 4.17Å; I263-V304 HydrophobicContact CG1-CG2 4.37Å; V300-V304 HydrophobicContact CG1-CG2 4.17Å; V300-V304 WeakPolarHBondContact O-CG2 3.36Å; V300-V304 PolarHBondContact O-N 3.2Å; C301-V304 PolarHBondContact O-N 3.46Å; P302-V304 PolarHBondContact O-N 3.22Å; V304-S307 PolarHBondContact O-N 2.87Å; V304-S307 PolarHBondContact O-OG 3.11Å; V304-M308 HydrophobicContact CG1-CE 3.73Å; V304-M308 HydrophobicContact CG1-SD 4.23Å; V304-M308 WeakPolarHBondContact O-CG 3.38Å; V304-M308 PolarHBondContact O-N 3.32Å
305	I	92.3	Very high	91.9	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.8	-49.1	178.3	-63.9	-56.7	0	0	0	111.4	V240 F242 C301 P302 S307 M308 E309 F315 V318 L341 M353	V240-I305 HydrophobicContact CG1-CD1 4.38Å; F242-I305 HydrophobicContact CE2-CD1 3.83Å; F242-I305 HydrophobicContact CE2-CG1 3.94Å; F242-I305 HydrophobicContact CZ-CD1 4Å; F242-I305 HydrophobicContact CZ-CG1 4Å; C301-I305 PolarHBondContact O-N 2.66Å; P302-I305 PolarHBondContact O-N 3.3Å; I305-S307 VanDerWaalsContact C-N 3.29Å; I305-S307 PolarHBondContact O-N 3.4Å; I305-M308 WeakPolarHBondContact O-CB 3.49Å; I305-M308 PolarHBondContact O-N 2.92Å; I305-M308 VanDerWaalsContact O-N 3.07Å; I305-E309 HydrophobicContact CG2-CG 4.45Å; I305-E309 WeakPolarHBondContact O-CG 3.46Å; I305-E309 PolarHBondContact O-N 3.33Å; I305-F315 HydrophobicContact CD1-CE2 4.31Å; I305-F315 HydrophobicContact CD1-CZ 4.45Å; I305-F315 HydrophobicContact CG2-CZ 4.44Å; I305-V318 HydrophobicContact CD1-CG1 4.28Å; I305-V318 HydrophobicContact CD1-CG2 3.76Å; I305-L341 HydrophobicContact CB-CD1 3.89Å; I305-L341 HydrophobicContact CG2-CD1 3.86Å; I305-M353 HydrophobicContact CG2-CE 4.2Å
306	A	90.5	Very high	91.7	Very high	26 Å²	26	54.5 Å²	54.5	22%	0.215	31%	0.309	C	S	.	.	H	α-helix	trans	-56.9	-42.5	178.1	0	0	0	0	0	112	P302 M308 E309 E310	P302-A306 WeakPolarHBondContact O-CB 3.47Å; P302-A306 PolarHBondContact O-N 2.82Å; A306-M308 VanDerWaalsContact C-N 3.34Å; A306-M308 PolarHBondContact O-N 3.28Å; A306-E309 PolarHBondContact O-N 3.44Å; A306-E310 WeakPolarHBondContact O-CB 3.34Å; A306-E310 WeakPolarHBondContact O-CG 3.38Å; A306-E310 PolarHBondContact O-N 3.45Å
307	S	91.5	Very high	91.5	Very high	62 Å²	62	57.6 Å²	57.6	43%	0.434	32%	0.324	S	S	.	.	H	α-helix	trans	-66.1	-33.8	177.4	73.5	0	0	0	0	113.5	K303 V304 I305 S311	K303-S307 WeakPolarHBondContact O-CB 3.44Å; K303-S307 PolarHBondContact O-N 3.34Å; K303-S307 PolarHBondContact O-OG 3.34Å; V304-S307 PolarHBondContact O-N 2.87Å; V304-S307 PolarHBondContact O-OG 3.11Å; I305-S307 VanDerWaalsContact C-N 3.29Å; I305-S307 PolarHBondContact O-N 3.4Å; S307-S311 WeakPolarHBondContact O-CB 3.32Å; S307-S311 PolarHBondContact O-N 2.93Å; S307-S311 VanDerWaalsContact O-N 3.14Å; S307-S311 PolarHBondContact O-OG 3.45Å
308	M	90.5	Very high	91.4	Very high	26 Å²	26	57.6 Å²	57.6	13%	0.128	32%	0.324	C	S	.	.	H	α-helix	trans	-69.8	-39.4	175.4	-71.1	178.8	175.1	0	0	111.3	V240 T261 V304 I305 A306 S311 E312 S313 F315	V240-M308 HydrophobicContact CG2-CE 4.21Å; V240-M308 HydrophobicContact CG2-SD 3.77Å; T261-M308 HydrophobicContact CG2-CE 3.61Å; V304-M308 HydrophobicContact CG1-CE 3.73Å; V304-M308 HydrophobicContact CG1-SD 4.23Å; V304-M308 WeakPolarHBondContact O-CG 3.38Å; V304-M308 PolarHBondContact O-N 3.32Å; I305-M308 WeakPolarHBondContact O-CB 3.49Å; I305-M308 PolarHBondContact O-N 2.92Å; I305-M308 VanDerWaalsContact O-N 3.07Å; A306-M308 VanDerWaalsContact C-N 3.34Å; A306-M308 PolarHBondContact O-N 3.28Å; M308-S311 PolarHBondContact O-OG 3.33Å; M308-S311 VanDerWaalsContact O-OG 3.11Å; M308-E312 PolarHBondContact O-N 3.05Å; M308-S313 PolarHBondContact O-N 2.71Å; M308-F315 HydrophobicContact CB-CD1 3.74Å; M308-F315 HydrophobicContact CB-CE1 3.59Å; M308-F315 HydrophobicContact CG-CD1 4.43Å; M308-F315 HydrophobicContact SD-CD1 4.06Å; M308-F315 HydrophobicContact SD-CE1 4.45Å; M308-F315 HydrophobicContact SD-CG 4.27Å
309	E	87.6	Confident	91.5	Very high	53 Å²	53	53.7 Å²	53.7	25%	0.248	30%	0.304	C	S	.	.	H	α-helix	trans	-68.1	-44.9	175.6	-68	-176.9	161.3	0	0	112.2	I305 A306 S311 E312 F315	I305-E309 HydrophobicContact CG2-CG 4.45Å; I305-E309 WeakPolarHBondContact O-CG 3.46Å; I305-E309 PolarHBondContact O-N 3.33Å; A306-E309 PolarHBondContact O-N 3.44Å; E309-S311 VanDerWaalsContact C-N 3.26Å; E309-S311 PolarHBondContact O-N 3.12Å; E309-E312 PolarHBondContact O-N 3.04Å; E309-E312 VanDerWaalsContact O-N 3.09Å; E309-F315 HydrophobicContact CG-CE1 4.23Å; E309-F315 HydrophobicContact CG-CZ 4.29Å
310	E	87.6	Confident	91.6	Very high	167 Å²	167	50.6 Å²	50.6	78%	0.78	29%	0.288	S	S	*	.	H	α-helix	trans	-62.3	-32.2	177.4	-76.4	175.8	-172.9	0	0	113	A306 E312	A306-E310 WeakPolarHBondContact O-CB 3.34Å; A306-E310 WeakPolarHBondContact O-CG 3.38Å; A306-E310 PolarHBondContact O-N 3.45Å; E310-E312 VanDerWaalsContact C-N 3.29Å
311	S	87.5	Confident	91.6	Very high	70 Å²	70	49.7 Å²	49.7	49%	0.49	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	2.3	177.6	58.5	0	0	0	0	113.9	S307 M308 E309 S313	S307-S311 WeakPolarHBondContact O-CB 3.32Å; S307-S311 PolarHBondContact O-N 2.93Å; S307-S311 VanDerWaalsContact O-N 3.14Å; S307-S311 PolarHBondContact O-OG 3.45Å; M308-S311 PolarHBondContact O-OG 3.33Å; M308-S311 VanDerWaalsContact O-OG 3.11Å; E309-S311 VanDerWaalsContact C-N 3.26Å; E309-S311 PolarHBondContact O-N 3.12Å; S311-S313 PolarHBondContact O-N 3.38Å; S311-S313 VanDerWaalsContact O-N 3.1Å; S311-S313 PolarHBondContact OG-OG 3.37Å
312	E	81.1	Confident	91.7	Very high	180 Å²	180	49.7 Å²	49.7	84%	0.841	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	28.6	-171.9	-58.9	-177.1	175.4	0	0	112.8	M308 E309 E310 A314	M308-E312 PolarHBondContact O-N 3.05Å; E309-E312 PolarHBondContact O-N 3.04Å; E309-E312 VanDerWaalsContact O-N 3.09Å; E310-E312 VanDerWaalsContact C-N 3.29Å; E312-A314 PolarHBondContact O-N 3.46Å
313	S	80.3	Confident	91.8	Very high	59 Å²	59	50.5 Å²	50.5	41%	0.413	29%	0.286	S	S	.	.			trans	-68.6	120.5	178.2	-69.4	0	0	0	0	109.1	M308 S311 F315	M308-S313 PolarHBondContact O-N 2.71Å; S311-S313 PolarHBondContact O-N 3.38Å; S311-S313 VanDerWaalsContact O-N 3.1Å; S311-S313 PolarHBondContact OG-OG 3.37Å; S313-F315 VanDerWaalsContact O-CD1 3.29Å; S313-F315 WeakPolarHBondContact O-CD1 3.36Å; S313-F315 PolarHBondContact O-N 3.45Å
314	A	84.7	Confident	91.8	Very high	107 Å²	107	45.4 Å²	45.4	88%	0.884	27%	0.265	S	S	*	.			trans	-69.5	117.4	173.9	0	0	0	0	0	110.3	E312	E312-A314 PolarHBondContact O-N 3.46Å
315	F	90.5	Very high	91.8	Very high	24 Å²	24	45.3 Å²	45.3	11%	0.105	27%	0.265	C	S	.	.			trans	-128.9	158.8	171.1	63.7	-89.6	0	0	0	111.1	V240 I305 M308 E309 S313 V318 H351	V240-F315 HydrophobicContact CG2-CB 3.83Å; V240-F315 HydrophobicContact CG2-CD2 3.69Å; V240-F315 HydrophobicContact CG2-CG 3.92Å; I305-F315 HydrophobicContact CD1-CE2 4.31Å; I305-F315 HydrophobicContact CD1-CZ 4.45Å; I305-F315 HydrophobicContact CG2-CZ 4.44Å; M308-F315 HydrophobicContact CB-CD1 3.74Å; M308-F315 HydrophobicContact CB-CE1 3.59Å; M308-F315 HydrophobicContact CG-CD1 4.43Å; M308-F315 HydrophobicContact SD-CD1 4.06Å; M308-F315 HydrophobicContact SD-CE1 4.45Å; M308-F315 HydrophobicContact SD-CG 4.27Å; E309-F315 HydrophobicContact CG-CE1 4.23Å; E309-F315 HydrophobicContact CG-CZ 4.29Å; S313-F315 VanDerWaalsContact O-CD1 3.29Å; S313-F315 WeakPolarHBondContact O-CD1 3.36Å; S313-F315 PolarHBondContact O-N 3.45Å; F315-V318 HydrophobicContact CD2-CG2 4.24Å; F315-V318 HydrophobicContact CE2-CG2 3.79Å; F315-H351 AromaticContact CD2-CD2 3.78Å; F315-H351 AromaticContact CD2-NE2 3.98Å; F315-H351 AromaticContact CE1-CE1 3.74Å; F315-H351 HydrophobicContact CE2-CB 4.02Å; F315-H351 AromaticContact CE2-CD2 3.47Å; F315-H351 VanDerWaalsContact CE2-CD2 3.47Å; F315-H351 WeakPolarHBondContact CE2-CD2 3.49Å; F315-H351 AromaticContact CE2-CE1 3.78Å; F315-H351 AromaticContact CE2-CG 3.44Å; F315-H351 VanDerWaalsContact CE2-CG 3.44Å; F315-H351 AromaticContact CE2-ND1 3.64Å; F315-H351 AromaticContact CE2-NE2 3.72Å; F315-H351 AromaticContact CZ-CD2 3.92Å; F315-H351 AromaticContact CZ-CE1 3.39Å; F315-H351 WeakPolarHBondContact CZ-CE1 3.3Å; F315-H351 AromaticContact CZ-CG 3.74Å; F315-H351 AromaticContact CZ-ND1 3.4Å; F315-H351 WeakPolarHBondContact CZ-ND1 3.36Å; F315-H351 AromaticContact CZ-NE2 3.74Å; F315-H351 PolarHBondContact O-NE2 3.29Å
316	G	92.8	Very high	91.8	Very high	23 Å²	23	47.8 Å²	47.8	24%	0.237	29%	0.286	C	S	.	.			trans	-82.5	-143.4	-179.2	0	0	0	0	0	112.5	G238 D239 H351	G238-G316 PolarHBondContact O-N 2.99Å; D239-G316 WeakPolarHBondContact OD1-CA 3.38Å; G316-H351 PolarHBondContact O-CD2 2.5Å
317	Q	94.8	Very high	92	Very high	64 Å²	64	49.1 Å²	49.1	30%	0.299	29%	0.291	S	S	.	.			trans	-73.1	156.4	175.5	-54.3	-57.9	-6.8	0	0	111	D239 V240 I352 F354	D239-Q317 CarbonylContact C-O 3.54Å; D239-Q317 VanDerWaalsContact CA-O 3.31Å; D239-Q317 WeakPolarHBondContact CA-O 3.39Å; D239-Q317 VanDerWaalsContact CB-O 3.28Å; D239-Q317 WeakPolarHBondContact CB-O 3.47Å; D239-Q317 PolarHBondContact OD1-N 3.46Å; V240-Q317 PolarHBondContact N-O 2.71Å; Q317-I352 PolarHBondContact OE1-O 3.29Å; Q317-F354 HydrophobicContact CB-CD2 4.37Å; Q317-F354 HydrophobicContact CB-CE2 4.38Å; Q317-F354 HydrophobicContact CG-CE2 4.33Å
318	V	96.5	Very high	92.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.4	176.2	-179.5	0	0	0	0	108.5	V240 F242 I305 F315 M338 I352 M353 F354	V240-V318 HydrophobicContact CB-CG2 4.32Å; V240-V318 CarbonylContact O-C 3.6Å; V240-V318 WeakPolarHBondContact O-CA 3.43Å; F242-V318 HydrophobicContact CD2-CG1 3.8Å; F242-V318 HydrophobicContact CE2-CG1 3.72Å; I305-V318 HydrophobicContact CD1-CG1 4.28Å; I305-V318 HydrophobicContact CD1-CG2 3.76Å; F315-V318 HydrophobicContact CD2-CG2 4.24Å; F315-V318 HydrophobicContact CE2-CG2 3.79Å; V318-M338 HydrophobicContact CG1-CE 3.98Å; V318-I352 PolarHBondContact N-O 2.76Å; V318-M353 HydrophobicContact CB-CB 4.41Å; V318-M353 HydrophobicContact CB-CG 3.87Å; V318-M353 HydrophobicContact CG1-CG 4.22Å; V318-M353 HydrophobicContact CG2-CG 4.29Å; V318-M353 CarbonylContact O-C 3.56Å; V318-M353 WeakPolarHBondContact O-CA 3.29Å; V318-F354 PolarHBondContact O-N 3.24Å
319	H	98.4	Very high	92.6	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.032	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.9	177.6	-66.6	-92.6	0	0	0	110.1	F235 D239 V240 V241 F242 F354 H356	F235-H319 HydrophobicContact CD1-CB 4.16Å; F235-H319 AromaticContact CD1-CD2 3.77Å; F235-H319 AromaticContact CD1-CE1 3.9Å; F235-H319 AromaticContact CD1-CG 3.61Å; F235-H319 AromaticContact CD1-ND1 3.7Å; F235-H319 AromaticContact CD1-NE2 3.94Å; F235-H319 HydrophobicContact CE1-CB 3.74Å; F235-H319 AromaticContact CE1-CG 3.59Å; F235-H319 AromaticContact CE1-ND1 3.62Å; D239-H319 IonicContact OD2-CD2 3.79Å; D239-H319 IonicContact OD2-NE2 3.4Å; D239-H319 PolarHBondContact OD2-NE2 2.91Å; V240-H319 PolarHBondContact O-N 2.88Å; V241-H319 CarbonylContact C-O 3.21Å; V241-H319 WeakPolarHBondContact CA-O 3.34Å; V241-H319 HydrophobicContact CG2-CB 4.31Å; F242-H319 PolarHBondContact N-O 2.76Å; H319-F354 CarbonylContact C-O 3.58Å; H319-F354 WeakPolarHBondContact CA-O 3.13Å; H319-F354 AromaticContact CE1-CD2 3.72Å; H319-H356 AromaticContact CE1-NE2 3.89Å; H319-H356 AromaticContact CG-NE2 3.96Å; H319-H356 AromaticContact ND1-CD2 3.84Å; H319-H356 AromaticContact ND1-NE2 2.97Å; H319-H356 PolarHBondContact ND1-NE2 2.78Å
320	V	98.5	Very high	93	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	112.2	172	-172.2	0	0	0	0	109	F242 V244 L297 M322 L335 M338 F354 H356	F242-V320 HydrophobicContact CB-CG1 4.42Å; F242-V320 HydrophobicContact CB-CG2 4.39Å; F242-V320 HydrophobicContact CD2-CG2 4.25Å; V244-V320 HydrophobicContact CG2-CG1 3.83Å; L297-V320 HydrophobicContact CD2-CG1 3.91Å; V320-M322 HydrophobicContact CG1-CG 4.11Å; V320-M322 HydrophobicContact CG1-SD 4.37Å; V320-L335 HydrophobicContact CG1-CD2 4.14Å; V320-L335 HydrophobicContact CG2-CD2 4.32Å; V320-M338 HydrophobicContact CG2-CE 3.7Å; V320-M338 HydrophobicContact CG2-SD 3.94Å; V320-F354 PolarHBondContact N-O 2.77Å; V320-H356 PolarHBondContact O-N 3.04Å
321	V	98.8	Very high	93.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	122.4	-179.6	-176.4	0	0	0	0	109.6	L231 F235 V241 F242 V244 F251 N323	L231-V321 HydrophobicContact CD2-CG1 3.75Å; L231-V321 HydrophobicContact CD2-CG2 3.96Å; F235-V321 HydrophobicContact CZ-CG2 3.93Å; V241-V321 HydrophobicContact CG1-CG2 4.14Å; F242-V321 PolarHBondContact O-N 3.26Å; V244-V321 WeakPolarHBondContact CG2-O 3.49Å; V244-V321 PolarHBondContact N-O 2.89Å; F251-V321 HydrophobicContact CD2-CG1 4.1Å; F251-V321 HydrophobicContact CE2-CG1 4.29Å; F251-V321 HydrophobicContact CG-CG1 4.28Å; V321-N323 HydrophobicContact CG1-CB 4.3Å
322	M	98.5	Very high	94	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	77.1	-178.7	-57.9	172	71.5	0	0	109.5	V244 F245 L297 V320 L324 A328 F331 L332 L335 V355 H356 Y358	V244-M322 HydrophobicContact CB-CG 4.3Å; V244-M322 HydrophobicContact CG2-CG 3.87Å; F245-M322 HydrophobicContact CE2-CB 4.17Å; L297-M322 HydrophobicContact CD1-CE 4.07Å; V320-M322 HydrophobicContact CG1-CG 4.11Å; V320-M322 HydrophobicContact CG1-SD 4.37Å; M322-L324 VanDerWaalsContact C-N 3.32Å; M322-L324 PolarHBondContact O-N 3.21Å; M322-A328 HydrophobicContact CB-CB 3.9Å; M322-A328 WeakPolarHBondContact CE-O 3.31Å; M322-A328 WeakPolarHBondContact O-CB 3.29Å; M322-F331 HydrophobicContact CE-CB 3.23Å; M322-F331 HydrophobicContact CE-CG 4.31Å; M322-L332 HydrophobicContact CE-CD2 4.33Å; M322-L332 HydrophobicContact SD-CD2 3.94Å; M322-L335 HydrophobicContact SD-CD1 4.48Å; M322-V355 HydrophobicContact SD-CG1 4.1Å; M322-H356 PolarHBondContact N-O 2.89Å; M322-Y358 WeakPolarHBondContact O-CD2 3.4Å; M322-Y358 PolarHBondContact O-N 3.22Å
323	N	96	Very high	94.6	Very high	33 Å²	33	31.2 Å²	31.2	18%	0.176	20%	0.201	C	C	.	.			trans	-87.1	22.4	-171.5	63.4	-38.5	0	0	0	115	F245 F251 V321 P325 Y358	F245-N323 WeakPolarHBondContact CB-OD1 3.36Å; F245-N323 PolarHBondContact O-ND2 2.89Å; F245-N323 PolarHBondContact O-OD1 2.76Å; F251-N323 HydrophobicContact CD2-CB 4.33Å; F251-N323 HydrophobicContact CE2-CB 3.6Å; F251-N323 HydrophobicContact CZ-CB 4.37Å; V321-N323 HydrophobicContact CG1-CB 4.3Å; N323-P325 VanDerWaalsContact O-CD 3.26Å; N323-P325 WeakPolarHBondContact O-CD 3.45Å; N323-Y358 HydrophobicContact CB-CD2 4.04Å; N323-Y358 HydrophobicContact CB-CE2 4.18Å
324	L	94.9	Very high	95.4	Very high	36 Å²	36	28.9 Å²	28.9	19%	0.188	19%	0.185	C	C	.	.			trans	-103.3	85.8	173.9	-176.7	59.3	0	0	0	110.4	R187 F245 M322 A326 T327 A328	R187-L324 HydrophobicContact CG-CD1 4.05Å; F245-L324 HydrophobicContact CB-CB 4.22Å; F245-L324 HydrophobicContact CD1-CB 4.24Å; F245-L324 HydrophobicContact CD1-CD2 3.96Å; F245-L324 HydrophobicContact CD2-CB 3.4Å; F245-L324 VanDerWaalsContact CD2-CB 3.4Å; F245-L324 HydrophobicContact CE1-CB 4.48Å; F245-L324 HydrophobicContact CE1-CD2 3.92Å; F245-L324 HydrophobicContact CE2-CB 3.69Å; F245-L324 HydrophobicContact CE2-CD2 4.48Å; F245-L324 HydrophobicContact CG-CB 3.7Å; F245-L324 HydrophobicContact CG-CD2 4.26Å; F245-L324 HydrophobicContact CZ-CB 4.23Å; F245-L324 HydrophobicContact CZ-CD2 4.19Å; M322-L324 VanDerWaalsContact C-N 3.32Å; M322-L324 PolarHBondContact O-N 3.21Å; L324-A326 PolarHBondContact O-N 2.64Å; L324-T327 VanDerWaalsContact CD2-OG1 3.24Å; L324-T327 WeakPolarHBondContact CD2-OG1 3.32Å; L324-T327 PolarHBondContact O-N 3.13Å; L324-T327 VanDerWaalsContact O-N 3.15Å; L324-A328 WeakPolarHBondContact O-CB 3.11Å; L324-A328 PolarHBondContact O-N 3.14Å
325	P	93.6	Very high	95.9	Very high	14 Å²	14	23.8 Å²	23.8	9%	0.091	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-12.4	-161.4	-13.8	30	0	0	0	114.1	N323 T359 F360 M400	N323-P325 VanDerWaalsContact O-CD 3.26Å; N323-P325 WeakPolarHBondContact O-CD 3.45Å; P325-T359 CarbonylContact O-C 3.58Å; P325-T359 VanDerWaalsContact O-CA 3.27Å; P325-T359 WeakPolarHBondContact O-CA 3.3Å; P325-F360 HydrophobicContact CB-CD1 4.2Å; P325-F360 HydrophobicContact CB-CD2 3.98Å; P325-F360 HydrophobicContact CB-CE1 4.02Å; P325-F360 HydrophobicContact CB-CE2 3.82Å; P325-F360 HydrophobicContact CB-CG 4.17Å; P325-F360 HydrophobicContact CB-CZ 3.84Å; P325-F360 HydrophobicContact CG-CE1 4.37Å; P325-F360 HydrophobicContact CG-CE2 4.36Å; P325-F360 HydrophobicContact CG-CZ 4.04Å; P325-F360 PolarHBondContact O-N 3.22Å; P325-M400 HydrophobicContact CB-CG 4.5Å; P325-M400 HydrophobicContact CG-CE 3.76Å; P325-M400 HydrophobicContact CG-CG 4.33Å; P325-M400 HydrophobicContact CG-SD 4.21Å
326	A	92.5	Very high	95.9	Very high	53 Å²	53	25 Å²	25	44%	0.438	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-29.8	177.6	0	0	0	0	0	112.5	L324 F360	L324-A326 PolarHBondContact O-N 2.64Å; A326-F360 HydrophobicContact CB-CD2 4.42Å; A326-F360 HydrophobicContact CB-CE2 4.36Å
327	T	94.8	Very high	95.6	Very high	54 Å²	54	25 Å²	25	33%	0.331	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-143	-6.4	-167.6	53.1	0	0	0	0	114.4	L324 I329 D330 F331	L324-T327 VanDerWaalsContact CD2-OG1 3.24Å; L324-T327 WeakPolarHBondContact CD2-OG1 3.32Å; L324-T327 PolarHBondContact O-N 3.13Å; L324-T327 VanDerWaalsContact O-N 3.15Å; T327-I329 PolarHBondContact O-N 3.45Å; T327-I329 VanDerWaalsContact O-N 3.08Å; T327-D330 WeakPolarHBondContact O-CB 3.41Å; T327-D330 PolarHBondContact O-N 2.9Å; T327-F331 VanDerWaalsContact O-CD2 3.31Å; T327-F331 WeakPolarHBondContact O-CD2 3.5Å
328	A	97.3	Very high	95.3	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.008	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-53.8	-35.1	-175.1	0	0	0	0	0	113.8	F245 M322 L324 D330 F331 Y358	F245-A328 HydrophobicContact CE2-CB 4.39Å; M322-A328 HydrophobicContact CB-CB 3.9Å; M322-A328 WeakPolarHBondContact CE-O 3.31Å; M322-A328 WeakPolarHBondContact O-CB 3.29Å; L324-A328 WeakPolarHBondContact O-CB 3.11Å; L324-A328 PolarHBondContact O-N 3.14Å; A328-D330 PolarHBondContact O-N 3.14Å; A328-F331 WeakPolarHBondContact O-CB 3.42Å; A328-F331 PolarHBondContact O-N 3.16Å; A328-Y358 WeakPolarHBondContact CB-O 3.16Å
329	I	97.1	Very high	94.9	Very high	15 Å²	15	23.8 Å²	23.8	8%	0.077	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-56.9	-33.4	175.7	-74.1	-175.4	0	0	0	112.5	T327 F331 L332 T359 V373 V374 K377	T327-I329 PolarHBondContact O-N 3.45Å; T327-I329 VanDerWaalsContact O-N 3.08Å; I329-F331 PolarHBondContact O-N 3.15Å; I329-L332 HydrophobicContact CG2-CD1 4.46Å; I329-L332 WeakPolarHBondContact O-CB 3.47Å; I329-L332 WeakPolarHBondContact O-CG 3.43Å; I329-L332 PolarHBondContact O-N 3.48Å; I329-T359 HydrophobicContact CD1-CG2 4.02Å; I329-T359 VanDerWaalsContact CD1-OG1 3.31Å; I329-T359 WeakPolarHBondContact CD1-OG1 3.5Å; I329-V373 HydrophobicContact CD1-CB 4.41Å; I329-V373 HydrophobicContact CD1-CG1 3.72Å; I329-V373 HydrophobicContact CG2-CG1 3.78Å; I329-V374 HydrophobicContact CD1-CG2 4.14Å; I329-V374 HydrophobicContact CG1-CG2 4.28Å; I329-K377 HydrophobicContact CG2-CD 4.34Å; I329-K377 HydrophobicContact CG2-CG 4.02Å
330	D	96.7	Very high	94.2	Very high	83 Å²	83	27 Å²	27	44%	0.444	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-76.8	-9.3	-178.9	-62.4	-40.1	0	0	0	113.7	T327 A328 K377	T327-D330 WeakPolarHBondContact O-CB 3.41Å; T327-D330 PolarHBondContact O-N 2.9Å; A328-D330 PolarHBondContact O-N 3.14Å; D330-K377 IonicContact OD1-NZ 3.03Å; D330-K377 PolarHBondContact OD1-NZ 2.73Å
331	F	97.8	Very high	93.5	Very high	22 Å²	22	28.8 Å²	28.8	10%	0.096	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-93.7	-10.8	173.6	-68.3	-101	0	0	0	112.2	F245 K294 L297 M322 T327 A328 I329 P333 S334	F245-F331 HydrophobicContact CE1-CE1 4.1Å; F245-F331 HydrophobicContact CE1-CE2 4.21Å; F245-F331 AromaticContact CE1-CZ 3.91Å; F245-F331 HydrophobicContact CE1-CZ 3.91Å; F245-F331 HydrophobicContact CZ-CD1 4.07Å; F245-F331 AromaticContact CZ-CD2 3.81Å; F245-F331 HydrophobicContact CZ-CD2 3.81Å; F245-F331 HydrophobicContact CZ-CE1 4.01Å; F245-F331 AromaticContact CZ-CE2 3.75Å; F245-F331 HydrophobicContact CZ-CE2 3.75Å; F245-F331 AromaticContact CZ-CG 3.98Å; F245-F331 HydrophobicContact CZ-CG 3.98Å; F245-F331 AromaticContact CZ-CZ 3.85Å; F245-F331 HydrophobicContact CZ-CZ 3.85Å; K294-F331 HydrophobicContact CB-CD1 4.39Å; K294-F331 HydrophobicContact CG-CD1 3.48Å; K294-F331 VanDerWaalsContact CG-CD1 3.48Å; K294-F331 HydrophobicContact CG-CE1 3.64Å; K294-F331 HydrophobicContact CG-CG 4.43Å; L297-F331 HydrophobicContact CD1-CB 3.96Å; M322-F331 HydrophobicContact CE-CB 3.23Å; M322-F331 HydrophobicContact CE-CG 4.31Å; T327-F331 VanDerWaalsContact O-CD2 3.31Å; T327-F331 WeakPolarHBondContact O-CD2 3.5Å; A328-F331 WeakPolarHBondContact O-CB 3.42Å; A328-F331 PolarHBondContact O-N 3.16Å; I329-F331 PolarHBondContact O-N 3.15Å; F331-P333 VanDerWaalsContact C-CD 3.48Å; F331-P333 VanDerWaalsContact C-N 3.34Å; F331-S334 VanDerWaalsContact O-CB 3.26Å; F331-S334 WeakPolarHBondContact O-CB 3.3Å; F331-S334 PolarHBondContact O-N 3.25Å
332	L	97.5	Very high	92.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-55.6	-40.1	179	-66.1	176.1	0	0	0	113.5	M322 I329 S334 L335 V355 C357 V374 K377 F378 F405	M322-L332 HydrophobicContact CE-CD2 4.33Å; M322-L332 HydrophobicContact SD-CD2 3.94Å; I329-L332 HydrophobicContact CG2-CD1 4.46Å; I329-L332 WeakPolarHBondContact O-CB 3.47Å; I329-L332 WeakPolarHBondContact O-CG 3.43Å; I329-L332 PolarHBondContact O-N 3.48Å; L332-S334 PolarHBondContact O-N 2.78Å; L332-L335 HydrophobicContact CD2-CD1 3.95Å; L332-L335 WeakPolarHBondContact O-CB 3.18Å; L332-L335 PolarHBondContact O-N 3.27Å; L332-L335 VanDerWaalsContact O-N 3.13Å; L332-V355 HydrophobicContact CD2-CG1 3.95Å; L332-C357 HydrophobicContact CD2-CB 4.13Å; L332-V374 HydrophobicContact CD1-CB 4.49Å; L332-V374 HydrophobicContact CD1-CG1 4.1Å; L332-V374 HydrophobicContact CD1-CG2 4.11Å; L332-K377 HydrophobicContact CB-CB 4.24Å; L332-K377 HydrophobicContact CB-CG 4.45Å; L332-K377 HydrophobicContact CD1-CB 4.28Å; L332-K377 HydrophobicContact CD1-CG 4.15Å; L332-F378 HydrophobicContact CB-CE2 4.31Å; L332-F378 HydrophobicContact CB-CZ 4.22Å; L332-F378 HydrophobicContact CD1-CE2 4.18Å; L332-F405 HydrophobicContact CD2-CE1 4.39Å; L332-F405 HydrophobicContact CD2-CZ 4.05Å
333	P	95.1	Very high	91.1	Very high	61 Å²	61	33 Å²	33	40%	0.396	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-61.3	-24.8	175.1	-25.4	36.5	0	0	0	114.2	F331 L335 S336	F331-P333 VanDerWaalsContact C-CD 3.48Å; F331-P333 VanDerWaalsContact C-N 3.34Å; P333-L335 PolarHBondContact O-N 3.48Å; P333-S336 PolarHBondContact O-N 2.98Å
334	S	96.9	Very high	89.5	Confident	10 Å²	10	35 Å²	35	7%	0.07	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-73.2	-4.9	178.2	-62.4	0	0	0	0	113.7	K294 M298 F331 L332 S336	K294-S334 WeakPolarHBondContact CG-OG 2.99Å; M298-S334 WeakPolarHBondContact CG-O 3.32Å; F331-S334 VanDerWaalsContact O-CB 3.26Å; F331-S334 WeakPolarHBondContact O-CB 3.3Å; F331-S334 PolarHBondContact O-N 3.25Å; L332-S334 PolarHBondContact O-N 2.78Å; S334-S336 PolarHBondContact O-N 2.89Å
335	L	95.5	Very high	87.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-76.2	-1.7	171.1	-66.6	163.9	0	0	0	113	L297 V320 M322 L332 P333 G337 M338 R339 V355 L407	L297-L335 HydrophobicContact CD2-CD2 3.77Å; V320-L335 HydrophobicContact CG1-CD2 4.14Å; V320-L335 HydrophobicContact CG2-CD2 4.32Å; M322-L335 HydrophobicContact SD-CD1 4.48Å; L332-L335 HydrophobicContact CD2-CD1 3.95Å; L332-L335 WeakPolarHBondContact O-CB 3.18Å; L332-L335 PolarHBondContact O-N 3.27Å; L332-L335 VanDerWaalsContact O-N 3.13Å; P333-L335 PolarHBondContact O-N 3.48Å; L335-G337 VanDerWaalsContact C-N 3.28Å; L335-G337 PolarHBondContact O-N 2.81Å; L335-M338 HydrophobicContact CD2-SD 3.84Å; L335-M338 WeakPolarHBondContact O-CB 3.45Å; L335-M338 PolarHBondContact O-N 3.08Å; L335-R339 WeakPolarHBondContact O-CG 3.49Å; L335-R339 PolarHBondContact O-N 2.94Å; L335-V355 HydrophobicContact CD1-CG1 4.17Å; L335-V355 HydrophobicContact CD1-CG2 3.84Å; L335-L407 HydrophobicContact CB-CD1 3.91Å; L335-L407 HydrophobicContact CB-CD2 4.34Å; L335-L407 HydrophobicContact CD1-CD1 3.97Å; L335-L407 HydrophobicContact CG-CD1 4.49Å
336	S	90.4	Very high	85.7	Confident	48 Å²	48	43.3 Å²	43.3	34%	0.336	29%	0.285	S	S	.	.	H	α-helix	trans	-51.9	-42.4	-178.1	57.1	0	0	0	0	113.7	P333 S334 M338 R339 S340	P333-S336 PolarHBondContact O-N 2.98Å; S334-S336 PolarHBondContact O-N 2.89Å; S336-M338 PolarHBondContact O-N 3.39Å; S336-R339 WeakPolarHBondContact O-CB 3.32Å; S336-R339 PolarHBondContact O-N 2.57Å; S336-S340 PolarHBondContact O-N 3.33Å; S336-S340 VanDerWaalsContact O-N 3.09Å; S336-S340 PolarHBondContact O-OG 2.94Å
337	G	86.3	Confident	83.9	Confident	23 Å²	23	43.3 Å²	43.3	24%	0.237	28%	0.283	C	S	.	.	H	α-helix	trans	-63.3	-38.3	177.3	0	0	0	0	0	113.2	L335 S340	L335-G337 VanDerWaalsContact C-N 3.28Å; L335-G337 PolarHBondContact O-N 2.81Å; G337-S340 PolarHBondContact O-N 3.07Å
338	M	89.2	Confident	81.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-69.2	-37.4	174.5	-64	-175.4	67.6	0	0	111.5	F242 C301 P302 V318 V320 L335 S336 S340 L341 M353 L407	F242-M338 HydrophobicContact CD2-CE 4Å; F242-M338 HydrophobicContact CE2-CE 3.92Å; C301-M338 HydrophobicContact CB-CE 4.37Å; C301-M338 HydrophobicContact CB-CG 4.04Å; C301-M338 HydrophobicContact CB-SD 3.55Å; C301-M338 VanDerWaalsContact CB-SD 3.55Å; P302-M338 HydrophobicContact CG-CG 3.94Å; V318-M338 HydrophobicContact CG1-CE 3.98Å; V320-M338 HydrophobicContact CG2-CE 3.7Å; V320-M338 HydrophobicContact CG2-SD 3.94Å; L335-M338 HydrophobicContact CD2-SD 3.84Å; L335-M338 WeakPolarHBondContact O-CB 3.45Å; L335-M338 PolarHBondContact O-N 3.08Å; S336-M338 PolarHBondContact O-N 3.39Å; M338-S340 VanDerWaalsContact C-N 3.29Å; M338-S340 PolarHBondContact O-N 2.98Å; M338-L341 WeakPolarHBondContact O-CB 3.34Å; M338-L341 PolarHBondContact O-N 2.97Å; M338-L341 VanDerWaalsContact O-N 3.15Å; M338-M353 HydrophobicContact CB-SD 4.09Å; M338-M353 HydrophobicContact CE-SD 3.85Å; M338-L407 HydrophobicContact CB-CD2 4.02Å
339	R	86.3	Confident	79.3	Confident	39 Å²	39	51.5 Å²	51.5	15%	0.147	33%	0.329	C	S	.	.	H	α-helix	trans	-60.7	-37.9	175.4	-65.3	-169	-58.3	-145.3	3.4	112.7	L335 S336 L341 L342 L407 P408	L335-R339 WeakPolarHBondContact O-CG 3.49Å; L335-R339 PolarHBondContact O-N 2.94Å; S336-R339 WeakPolarHBondContact O-CB 3.32Å; S336-R339 PolarHBondContact O-N 2.57Å; R339-L341 PolarHBondContact O-N 2.86Å; R339-L342 WeakPolarHBondContact O-CB 3.32Å; R339-L342 PolarHBondContact O-N 2.92Å; R339-L342 VanDerWaalsContact O-N 3.08Å; R339-L407 HydrophobicContact CG-CD1 3.77Å; R339-L407 HydrophobicContact CG-CD2 3.73Å; R339-L407 HydrophobicContact CG-CG 3.66Å; R339-P408 VanDerWaalsContact CD-O 3.23Å; R339-P408 WeakPolarHBondContact CD-O 3.16Å; R339-P408 VanDerWaalsContact CG-O 3.25Å; R339-P408 WeakPolarHBondContact CG-O 3.26Å
340	S	84.9	Confident	77.9	Confident	75 Å²	75	59.3 Å²	59.3	52%	0.524	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.2	178.5	-63.6	0	0	0	0	113.9	S336 G337 M338 A344	S336-S340 PolarHBondContact O-N 3.33Å; S336-S340 VanDerWaalsContact O-N 3.09Å; S336-S340 PolarHBondContact O-OG 2.94Å; G337-S340 PolarHBondContact O-N 3.07Å; M338-S340 VanDerWaalsContact C-N 3.29Å; M338-S340 PolarHBondContact O-N 2.98Å; S340-A344 WeakPolarHBondContact O-CB 3.49Å
341	L	83.3	Confident	77	Confident	37 Å²	37	56.9 Å²	56.9	19%	0.194	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-24.7	173	-60.2	174.5	0	0	0	111.8	P302 I305 M338 R339 G343	P302-L341 HydrophobicContact CB-CD1 3.89Å; P302-L341 WeakPolarHBondContact O-CD1 3.35Å; I305-L341 HydrophobicContact CB-CD1 3.89Å; I305-L341 HydrophobicContact CG2-CD1 3.86Å; M338-L341 WeakPolarHBondContact O-CB 3.34Å; M338-L341 PolarHBondContact O-N 2.97Å; M338-L341 VanDerWaalsContact O-N 3.15Å; R339-L341 PolarHBondContact O-N 2.86Å; L341-G343 PolarHBondContact O-N 2.81Å
342	L	79.3	Confident	76.6	Confident	24 Å²	24	58.7 Å²	58.7	13%	0.126	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	122.5	174.1	-62.5	173.2	0	0	0	109.1	R339 A344 M353 L407 A409	R339-L342 WeakPolarHBondContact O-CB 3.32Å; R339-L342 PolarHBondContact O-N 2.92Å; R339-L342 VanDerWaalsContact O-N 3.08Å; L342-A344 VanDerWaalsContact C-N 3.31Å; L342-A344 PolarHBondContact O-N 3.4Å; L342-M353 HydrophobicContact CD1-SD 4.14Å; L342-M353 HydrophobicContact CD2-CE 3.72Å; L342-M353 HydrophobicContact CD2-CG 3.88Å; L342-M353 HydrophobicContact CD2-SD 3.73Å; L342-M353 HydrophobicContact CG-CE 4.16Å; L342-M353 HydrophobicContact CG-SD 3.91Å; L342-L407 HydrophobicContact CD1-CB 4.3Å; L342-L407 HydrophobicContact CD1-CD2 4.18Å; L342-L407 HydrophobicContact CD1-CG 4.18Å; L342-L407 VanDerWaalsContact CD1-O 3.31Å; L342-L407 WeakPolarHBondContact CD1-O 3.38Å; L342-A409 HydrophobicContact CB-CB 3.89Å
343	G	68.7	Low	76.5	Confident	65 Å²	65	58.9 Å²	58.9	67%	0.67	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	-16.8	178	0	0	0	0	0	115.8	L341	L341-G343 PolarHBondContact O-N 2.81Å
344	A	61.7	Low	76.6	Confident	75 Å²	75	58.4 Å²	58.4	62%	0.62	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-22	179.3	0	0	0	0	0	113.9	S340 L342	S340-A344 WeakPolarHBondContact O-CB 3.49Å; L342-A344 VanDerWaalsContact C-N 3.31Å; L342-A344 PolarHBondContact O-N 3.4Å
345	S	55.9	Low	76.7	Confident	50 Å²	50	58 Å²	58	35%	0.35	35%	0.35	S	S	.	.			trans	-89.9	130.4	-175.7	-168.1	0	0	0	0	112	S347	S345-S347 PolarHBondContact O-N 3.26Å; S345-S347 VanDerWaalsContact O-N 3.14Å; S345-S347 WeakPolarHBondContact OG-CB 3.45Å; S345-S347 PolarHBondContact OG-N 2.8Å; S345-S347 VanDerWaalsContact OG-N 3.15Å
346	N	53.2	Low	76.8	Confident	174 Å²	174	58.1 Å²	58.1	93%	0.93	35%	0.351	S	S	*	.			trans	-68.4	4.1	163.8	-79.4	-25.4	0	0	0	112.4	I348	N346-I348 PolarHBondContact O-N 3.46Å
347	S	53.1	Low	77.2	Confident	54 Å²	54	55.8 Å²	55.8	38%	0.378	34%	0.335	S	S	.	.			trans	-62.4	129.3	175.2	179.9	0	0	0	0	110.8	S345 A349	S345-S347 PolarHBondContact O-N 3.26Å; S345-S347 VanDerWaalsContact O-N 3.14Å; S345-S347 WeakPolarHBondContact OG-CB 3.45Å; S345-S347 PolarHBondContact OG-N 2.8Å; S345-S347 VanDerWaalsContact OG-N 3.15Å; S347-A349 PolarHBondContact O-N 2.83Å; S347-A349 VanDerWaalsContact O-N 3.13Å; S347-A349 PolarHBondContact OG-N 2.89Å
348	I	44.4	Very low	77.8	Confident	179 Å²	179	54.8 Å²	54.8	92%	0.918	32%	0.324	S	S	*	.	S	Bend	trans	-60.8	-18.7	174.9	-65.6	164.7	0	0	0	111.2	N346 Q350	N346-I348 PolarHBondContact O-N 3.46Å; I348-Q350 PolarHBondContact O-N 3.04Å
349	A	51.4	Low	78.2	Confident	47 Å²	47	55.6 Å²	55.6	39%	0.388	33%	0.329	S	S	.	.			trans	-92.3	92.1	175.4	0	0	0	0	0	110.8	S347 H351	S347-A349 PolarHBondContact O-N 2.83Å; S347-A349 VanDerWaalsContact O-N 3.13Å; S347-A349 PolarHBondContact OG-N 2.89Å; A349-H351 PolarHBondContact O-N 2.87Å; A349-H351 PolarHBondContact O-ND1 2.81Å
350	Q	67.6	Low	78.7	Confident	179 Å²	179	56.1 Å²	56.1	84%	0.836	33%	0.333	S	S	*	.			trans	-68.8	96.3	161.5	-74	-177.8	-10.5	0	0	108.6	I348	I348-Q350 PolarHBondContact O-N 3.04Å
351	H	78	Confident	79.2	Confident	32 Å²	32	53.3 Å²	53.3	15%	0.148	31%	0.312	C	S	.	.			trans	-71.1	132	174.4	-57	102	0	0	0	110	F315 G316 A349	F315-H351 AromaticContact CD2-CD2 3.78Å; F315-H351 AromaticContact CD2-NE2 3.98Å; F315-H351 AromaticContact CE1-CE1 3.74Å; F315-H351 HydrophobicContact CE2-CB 4.02Å; F315-H351 AromaticContact CE2-CD2 3.47Å; F315-H351 VanDerWaalsContact CE2-CD2 3.47Å; F315-H351 WeakPolarHBondContact CE2-CD2 3.49Å; F315-H351 AromaticContact CE2-CE1 3.78Å; F315-H351 AromaticContact CE2-CG 3.44Å; F315-H351 VanDerWaalsContact CE2-CG 3.44Å; F315-H351 AromaticContact CE2-ND1 3.64Å; F315-H351 AromaticContact CE2-NE2 3.72Å; F315-H351 AromaticContact CZ-CD2 3.92Å; F315-H351 AromaticContact CZ-CE1 3.39Å; F315-H351 WeakPolarHBondContact CZ-CE1 3.3Å; F315-H351 AromaticContact CZ-CG 3.74Å; F315-H351 AromaticContact CZ-ND1 3.4Å; F315-H351 WeakPolarHBondContact CZ-ND1 3.36Å; F315-H351 AromaticContact CZ-NE2 3.74Å; F315-H351 PolarHBondContact O-NE2 3.29Å; G316-H351 PolarHBondContact O-CD2 2.5Å; A349-H351 PolarHBondContact O-N 2.87Å; A349-H351 PolarHBondContact O-ND1 2.81Å
352	I	90.4	Very high	79.8	Confident	61 Å²	61	58.7 Å²	58.7	31%	0.313	33%	0.334	S	S	.	.			trans	-86.3	126.1	175.7	-53.1	175.9	0	0	0	108	Q317 V318 F354 I406	Q317-I352 PolarHBondContact OE1-O 3.29Å; V318-I352 PolarHBondContact N-O 2.76Å; I352-F354 HydrophobicContact CB-CE2 4.13Å; I352-F354 HydrophobicContact CG2-CD2 4.12Å; I352-F354 HydrophobicContact CG2-CE1 4.24Å; I352-F354 HydrophobicContact CG2-CE2 3.67Å; I352-F354 HydrophobicContact CG2-CZ 3.74Å; I352-I406 HydrophobicContact CG2-CB 4.26Å; I352-I406 HydrophobicContact CG2-CD1 3.71Å; I352-I406 HydrophobicContact CG2-CG1 3.62Å; I352-I406 HydrophobicContact CG2-CG2 3.71Å
353	M	94.9	Very high	80.5	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.02	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	107.3	174.4	-64.8	-177.3	-172.8	0	0	109.7	I305 V318 M338 L342 I406 L407	I305-M353 HydrophobicContact CG2-CE 4.2Å; V318-M353 HydrophobicContact CB-CB 4.41Å; V318-M353 HydrophobicContact CB-CG 3.87Å; V318-M353 HydrophobicContact CG1-CG 4.22Å; V318-M353 HydrophobicContact CG2-CG 4.29Å; V318-M353 CarbonylContact O-C 3.56Å; V318-M353 WeakPolarHBondContact O-CA 3.29Å; M338-M353 HydrophobicContact CB-SD 4.09Å; M338-M353 HydrophobicContact CE-SD 3.85Å; L342-M353 HydrophobicContact CD1-SD 4.14Å; L342-M353 HydrophobicContact CD2-CE 3.72Å; L342-M353 HydrophobicContact CD2-CG 3.88Å; L342-M353 HydrophobicContact CD2-SD 3.73Å; L342-M353 HydrophobicContact CG-CE 4.16Å; L342-M353 HydrophobicContact CG-SD 3.91Å; M353-I406 CarbonylContact O-C 3.55Å; M353-I406 WeakPolarHBondContact O-CA 3.36Å; M353-L407 HydrophobicContact CB-CB 3.98Å; M353-L407 HydrophobicContact CB-CD2 4.33Å; M353-L407 WeakPolarHBondContact O-CB 3.43Å; M353-L407 PolarHBondContact O-N 3.24Å; M353-L407 HydrophobicContact SD-CD2 4.06Å
354	F	97.5	Very high	81.8	Confident	51 Å²	51	65.1 Å²	65.1	22%	0.224	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133.1	172.2	-69.3	-78	0	0	0	110.9	Q317 V318 H319 V320 I352 F405 I406	Q317-F354 HydrophobicContact CB-CD2 4.37Å; Q317-F354 HydrophobicContact CB-CE2 4.38Å; Q317-F354 HydrophobicContact CG-CE2 4.33Å; V318-F354 PolarHBondContact O-N 3.24Å; H319-F354 CarbonylContact C-O 3.58Å; H319-F354 WeakPolarHBondContact CA-O 3.13Å; H319-F354 AromaticContact CE1-CD2 3.72Å; V320-F354 PolarHBondContact N-O 2.77Å; I352-F354 HydrophobicContact CB-CE2 4.13Å; I352-F354 HydrophobicContact CG2-CD2 4.12Å; I352-F354 HydrophobicContact CG2-CE1 4.24Å; I352-F354 HydrophobicContact CG2-CE2 3.67Å; I352-F354 HydrophobicContact CG2-CZ 3.74Å; F354-F405 WeakPolarHBondContact CA-O 3.19Å; F354-I406 HydrophobicContact CD1-CG1 3.82Å; F354-I406 HydrophobicContact CE1-CD1 4.02Å; F354-I406 HydrophobicContact CE1-CG1 3.47Å; F354-I406 VanDerWaalsContact CE1-CG1 3.47Å; F354-I406 HydrophobicContact CZ-CD1 4.36Å; F354-I406 HydrophobicContact CZ-CG1 4.15Å
355	V	98.4	Very high	83.4	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.4	170	-177.8	0	0	0	0	108.5	M322 L332 L335 C357 S404 F405 L407	M322-V355 HydrophobicContact SD-CG1 4.1Å; L332-V355 HydrophobicContact CD2-CG1 3.95Å; L335-V355 HydrophobicContact CD1-CG1 4.17Å; L335-V355 HydrophobicContact CD1-CG2 3.84Å; V355-C357 HydrophobicContact CG1-CB 4.3Å; V355-S404 WeakPolarHBondContact O-CA 3.39Å; V355-F405 HydrophobicContact CB-CD1 4.25Å; V355-F405 HydrophobicContact CB-CD2 4.48Å; V355-F405 HydrophobicContact CB-CE1 3.73Å; V355-F405 HydrophobicContact CB-CE2 3.99Å; V355-F405 HydrophobicContact CB-CZ 3.58Å; V355-F405 HydrophobicContact CG1-CE1 3.76Å; V355-F405 HydrophobicContact CG1-CZ 3.7Å; V355-F405 HydrophobicContact CG2-CE2 4.01Å; V355-F405 HydrophobicContact CG2-CZ 3.94Å; V355-F405 PolarHBondContact N-O 2.87Å; V355-F405 PolarHBondContact O-N 3.02Å; V355-F405 VanDerWaalsContact O-N 3.14Å; V355-L407 HydrophobicContact CG2-CB 4.04Å; V355-L407 HydrophobicContact CG2-CD1 4.13Å
356	H	98.7	Very high	85.3	Confident	3 Å²	3	64.2 Å²	64.2	1%	0.014	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	88.8	175.5	-54.9	-65	0	0	0	108.9	L231 H319 V320 M322 S404	L231-H356 HydrophobicContact CD1-CB 4.05Å; L231-H356 HydrophobicContact CD2-CB 4.12Å; H319-H356 AromaticContact CE1-NE2 3.89Å; H319-H356 AromaticContact CG-NE2 3.96Å; H319-H356 AromaticContact ND1-CD2 3.84Å; H319-H356 AromaticContact ND1-NE2 2.97Å; H319-H356 PolarHBondContact ND1-NE2 2.78Å; V320-H356 PolarHBondContact O-N 3.04Å; M322-H356 PolarHBondContact N-O 2.89Å; H356-S404 PolarHBondContact ND1-OG 2.99Å
357	C	98.5	Very high	87.4	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	119.8	-174.4	-175.4	0	0	0	0	111.2	L332 V355 V403	L332-C357 HydrophobicContact CD2-CB 4.13Å; V355-C357 HydrophobicContact CG1-CB 4.3Å; C357-V403 PolarHBondContact N-O 3.11Å; C357-V403 PolarHBondContact O-N 2.72Å
358	Y	98.3	Very high	89.6	Confident	1 Å²	1	58.4 Å²	58.4	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	147.8	175.2	-70.4	-101.3	0	0	0	111.3	E227 L231 F251 M322 N323 A328 V391 M400 L401 C402	E227-Y358 HydrophobicContact CG-CE1 3.88Å; E227-Y358 WeakPolarHBondContact OE1-CE1 3.38Å; E227-Y358 VanDerWaalsContact OE1-CZ 3.22Å; E227-Y358 PolarHBondContact OE1-OH 3.45Å; L231-Y358 HydrophobicContact CD2-CE2 4.2Å; F251-Y358 HydrophobicContact CZ-CE2 4.34Å; M322-Y358 WeakPolarHBondContact O-CD2 3.4Å; M322-Y358 PolarHBondContact O-N 3.22Å; N323-Y358 HydrophobicContact CB-CD2 4.04Å; N323-Y358 HydrophobicContact CB-CE2 4.18Å; A328-Y358 WeakPolarHBondContact CB-O 3.16Å; Y358-V391 HydrophobicContact CD1-CG2 4.26Å; Y358-V391 HydrophobicContact CE1-CG2 3.93Å; Y358-M400 HydrophobicContact CD1-CE 3.37Å; Y358-M400 HydrophobicContact CE1-CE 3.78Å; Y358-M400 HydrophobicContact CG-CE 4.24Å; Y358-L401 CarbonylContact C-O 3.58Å; Y358-L401 WeakPolarHBondContact CA-O 3.39Å; Y358-C402 HydrophobicContact CD1-CB 3.89Å; Y358-C402 HydrophobicContact CE1-CB 3.63Å; Y358-C402 HydrophobicContact CE2-CB 4.47Å; Y358-C402 HydrophobicContact CG-CB 4.43Å
359	T	97.7	Very high	92.1	Very high	17 Å²	17	51 Å²	51	10%	0.104	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	156.3	175.2	-171.7	0	0	0	0	112	P325 I329 A370 M400 L401 V403	P325-T359 CarbonylContact O-C 3.58Å; P325-T359 VanDerWaalsContact O-CA 3.27Å; P325-T359 WeakPolarHBondContact O-CA 3.3Å; I329-T359 HydrophobicContact CD1-CG2 4.02Å; I329-T359 VanDerWaalsContact CD1-OG1 3.31Å; I329-T359 WeakPolarHBondContact CD1-OG1 3.5Å; T359-A370 HydrophobicContact CG2-CB 4.08Å; T359-M400 WeakPolarHBondContact O-CA 3.26Å; T359-L401 HydrophobicContact CG2-CB 4.05Å; T359-L401 HydrophobicContact CG2-CD1 4.45Å; T359-L401 PolarHBondContact N-O 3.16Å; T359-L401 PolarHBondContact O-N 3.06Å; T359-V403 HydrophobicContact CG2-CG2 4.27Å
360	F	96.3	Very high	94.3	Very high	51 Å²	51	48.9 Å²	48.9	22%	0.224	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	135.8	163.8	-65.2	-56.2	0	0	0	110.9	P325 A326 V394 K398 H399 M400	P325-F360 HydrophobicContact CB-CD1 4.2Å; P325-F360 HydrophobicContact CB-CD2 3.98Å; P325-F360 HydrophobicContact CB-CE1 4.02Å; P325-F360 HydrophobicContact CB-CE2 3.82Å; P325-F360 HydrophobicContact CB-CG 4.17Å; P325-F360 HydrophobicContact CB-CZ 3.84Å; P325-F360 HydrophobicContact CG-CE1 4.37Å; P325-F360 HydrophobicContact CG-CE2 4.36Å; P325-F360 HydrophobicContact CG-CZ 4.04Å; P325-F360 PolarHBondContact O-N 3.22Å; A326-F360 HydrophobicContact CB-CD2 4.42Å; A326-F360 HydrophobicContact CB-CE2 4.36Å; F360-V394 HydrophobicContact CD1-CG2 3.91Å; F360-V394 HydrophobicContact CE1-CB 4.42Å; F360-V394 HydrophobicContact CE1-CG1 3.98Å; F360-V394 HydrophobicContact CE1-CG2 3.83Å; F360-K398 VanDerWaalsContact CB-CE 3.46Å; F360-K398 HydrophobicContact CB-CG 4.4Å; F360-H399 CarbonylContact C-O 3.57Å; F360-H399 VanDerWaalsContact CA-O 3.23Å; F360-H399 WeakPolarHBondContact CA-O 3.32Å; F360-M400 HydrophobicContact CD1-CB 4.01Å; F360-M400 HydrophobicContact CD1-CG 4.44Å; F360-M400 HydrophobicContact CE1-CB 3.87Å; F360-M400 HydrophobicContact CE1-CG 4.09Å; F360-M400 HydrophobicContact CE1-SD 4.37Å
361	C	96.6	Very high	95.7	Very high	15 Å²	15	44 Å²	44	10%	0.101	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	142.4	176.5	-172.5	0	0	0	0	111.2	A363 P366 K398 H399 L401	C361-A363 PolarHBondContact SG-N 2.98Å; C361-P366 HydrophobicContact CB-CB 4.03Å; C361-P366 VanDerWaalsContact SG-CA 3.54Å; C361-K398 WeakPolarHBondContact O-CA 3.48Å; C361-H399 PolarHBondContact N-O 3.37Å; C361-H399 PolarHBondContact O-N 3.01Å; C361-L401 HydrophobicContact CB-CD1 3.64Å
362	K	95.1	Very high	96.6	Very high	151 Å²	151	46.8 Å²	46.8	66%	0.657	25%	0.251	S	S	*	.			trans	-122.2	8.9	176.5	-62.8	-176.6	178.7	-179.9	0	114.3	F397 K398	K362-F397 WeakPolarHBondContact CA-O 3.23Å; K362-K398 HydrophobicContact CG-CB 4.04Å; K362-K398 HydrophobicContact CG-CG 3.95Å
363	A	95	Very high	96.9	Very high	45 Å²	45	46.8 Å²	46.8	37%	0.372	25%	0.253	S	S	.	.	S	Bend	trans	-70.9	162.4	178.7	0	0	0	0	0	111.5	C361 D365 P366 A369	C361-A363 PolarHBondContact SG-N 2.98Å; A363-D365 VanDerWaalsContact C-N 3.3Å; A363-D365 PolarHBondContact O-N 3.42Å; A363-P366 WeakPolarHBondContact O-CD 3.4Å; A363-P366 WeakPolarHBondContact O-CG 3.11Å; A363-A369 HydrophobicContact CB-CB 3.65Å
364	D	94.2	Very high	97	Very high	178 Å²	178	46.6 Å²	46.6	95%	0.952	25%	0.252	S	S	*	.	S	Bend	trans	-64.4	-34.7	176.2	-66.4	-30.4	0	0	0	112.4	P366	D364-P366 WeakPolarHBondContact O-CD 3.37Å
365	D	96.2	Very high	96.9	Very high	90 Å²	90	46.5 Å²	46.5	48%	0.481	25%	0.252	S	S	.	.	S	Bend	trans	-112	91	164.5	-173.7	-17.5	0	0	0	109.6	A363 I367 A368 A369	A363-D365 VanDerWaalsContact C-N 3.3Å; A363-D365 PolarHBondContact O-N 3.42Å; D365-I367 PolarHBondContact O-N 3.03Å; D365-I367 PolarHBondContact OD1-N 2.92Å; D365-I367 VanDerWaalsContact OD1-N 3.08Å; D365-A368 HydrophobicContact CB-CB 4.12Å; D365-A368 VanDerWaalsContact CG-CB 3.49Å; D365-A368 PolarHBondContact OD1-N 2.94Å; D365-A368 WeakPolarHBondContact OD2-CB 3.26Å; D365-A369 WeakPolarHBondContact O-CB 3.45Å; D365-A369 PolarHBondContact O-N 3.46Å
366	P	96.4	Very high	96.7	Very high	17 Å²	17	52.6 Å²	52.6	11%	0.11	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-31.5	-179	-24.4	32.7	0	0	0	113.8	C361 A363 D364 A370 H399 L401	C361-P366 HydrophobicContact CB-CB 4.03Å; C361-P366 VanDerWaalsContact SG-CA 3.54Å; A363-P366 WeakPolarHBondContact O-CD 3.4Å; A363-P366 WeakPolarHBondContact O-CG 3.11Å; D364-P366 WeakPolarHBondContact O-CD 3.37Å; P366-A370 VanDerWaalsContact O-CB 3.25Å; P366-A370 WeakPolarHBondContact O-CB 3.3Å; P366-A370 PolarHBondContact O-N 3.37Å; P366-H399 HydrophobicContact CB-CB 4.11Å; P366-H399 HydrophobicContact CG-CB 4.35Å; P366-L401 HydrophobicContact CB-CD1 3.92Å; P366-L401 HydrophobicContact CB-CD2 4.43Å; P366-L401 WeakPolarHBondContact O-CD1 3.4Å
367	I	97.5	Very high	96.5	Very high	71 Å²	71	55.9 Å²	55.9	36%	0.364	30%	0.295	S	S	.	.	H	α-helix	trans	-73.5	-48.7	-175.1	-71.8	173.6	0	0	0	110.2	D365 A370 K371 V388	D365-I367 PolarHBondContact O-N 3.03Å; D365-I367 PolarHBondContact OD1-N 2.92Å; D365-I367 VanDerWaalsContact OD1-N 3.08Å; I367-A370 PolarHBondContact O-N 3.37Å; I367-K371 PolarHBondContact O-N 2.98Å; I367-K371 VanDerWaalsContact O-N 3.15Å; I367-V388 HydrophobicContact CG1-CG1 4.16Å; I367-V388 HydrophobicContact CG2-CB 4Å; I367-V388 HydrophobicContact CG2-CG1 4.42Å; I367-V388 HydrophobicContact CG2-CG2 4.31Å
368	A	97.5	Very high	96.3	Very high	35 Å²	35	55.9 Å²	55.9	29%	0.289	30%	0.295	S	S	.	.	H	α-helix	trans	-60.6	-51	176.7	0	0	0	0	0	110.7	D365 A370 K371 D372	D365-A368 HydrophobicContact CB-CB 4.12Å; D365-A368 VanDerWaalsContact CG-CB 3.49Å; D365-A368 PolarHBondContact OD1-N 2.94Å; D365-A368 WeakPolarHBondContact OD2-CB 3.26Å; A368-A370 VanDerWaalsContact C-N 3.27Å; A368-A370 PolarHBondContact O-N 3.24Å; A368-K371 WeakPolarHBondContact O-CB 3.33Å; A368-K371 PolarHBondContact O-N 3.42Å; A368-D372 PolarHBondContact O-N 3.46Å
369	A	97.3	Very high	96	Very high	23 Å²	23	60.2 Å²	60.2	19%	0.19	33%	0.326	C	S	.	.	H	α-helix	trans	-58.3	-37.1	179.5	0	0	0	0	0	113	A363 D365 D372 V373	A363-A369 HydrophobicContact CB-CB 3.65Å; D365-A369 WeakPolarHBondContact O-CB 3.45Å; D365-A369 PolarHBondContact O-N 3.46Å; A369-D372 PolarHBondContact O-N 3.13Å; A369-V373 VanDerWaalsContact O-CG2 3.26Å; A369-V373 WeakPolarHBondContact O-CG2 3.31Å; A369-V373 PolarHBondContact O-N 2.95Å
370	A	97.4	Very high	95.5	Very high	3 Å²	3	64.5 Å²	64.5	3%	0.025	35%	0.348	C	S	.	.	H	α-helix	trans	-70.3	-32.9	176.8	0	0	0	0	0	113.5	T359 P366 I367 A368 V374 V388 L401 V403	T359-A370 HydrophobicContact CG2-CB 4.08Å; P366-A370 VanDerWaalsContact O-CB 3.25Å; P366-A370 WeakPolarHBondContact O-CB 3.3Å; P366-A370 PolarHBondContact O-N 3.37Å; I367-A370 PolarHBondContact O-N 3.37Å; A368-A370 VanDerWaalsContact C-N 3.27Å; A368-A370 PolarHBondContact O-N 3.24Å; A370-V374 WeakPolarHBondContact O-CG2 3.24Å; A370-V374 PolarHBondContact O-N 2.92Å; A370-V388 HydrophobicContact CB-CG1 4.41Å; A370-L401 HydrophobicContact CB-CD1 3.48Å; A370-L401 VanDerWaalsContact CB-CD1 3.48Å; A370-V403 HydrophobicContact CB-CG2 3.94Å
371	K	97.2	Very high	95.1	Very high	75 Å²	75	63.2 Å²	63.2	33%	0.326	34%	0.344	S	S	.	.	H	α-helix	trans	-65.8	-48.5	171.9	-71.6	-176.6	179.9	-179.1	0	110.6	I367 A368 V373 V374 Q375 L386 V388	I367-K371 PolarHBondContact O-N 2.98Å; I367-K371 VanDerWaalsContact O-N 3.15Å; A368-K371 WeakPolarHBondContact O-CB 3.33Å; A368-K371 PolarHBondContact O-N 3.42Å; K371-V373 PolarHBondContact O-N 2.81Å; K371-V374 PolarHBondContact O-N 2.86Å; K371-Q375 WeakPolarHBondContact O-CB 3.46Å; K371-Q375 WeakPolarHBondContact O-CG 3.49Å; K371-Q375 PolarHBondContact O-N 2.98Å; K371-L386 HydrophobicContact CB-CD2 4.04Å; K371-L386 HydrophobicContact CD-CD2 4.26Å; K371-L386 HydrophobicContact CD-CG 4.46Å; K371-L386 HydrophobicContact CG-CD2 4.01Å; K371-L386 HydrophobicContact CG-CG 4.18Å; K371-V388 HydrophobicContact CD-CG2 4.34Å; K371-V388 HydrophobicContact CG-CG2 3.5Å
372	D	96.7	Very high	94.8	Very high	92 Å²	92	67.8 Å²	67.8	49%	0.492	37%	0.374	S	S	.	.	H	α-helix	trans	-60	-48.7	-176.7	-63.2	-14.7	0	0	0	111.1	A368 A369 V374 Q375 E376	A368-D372 PolarHBondContact O-N 3.46Å; A369-D372 PolarHBondContact O-N 3.13Å; D372-V374 VanDerWaalsContact C-N 3.3Å; D372-V374 PolarHBondContact O-N 3.28Å; D372-Q375 PolarHBondContact O-N 2.79Å; D372-E376 WeakPolarHBondContact O-CB 3.41Å; D372-E376 PolarHBondContact O-N 3.08Å
373	V	96.9	Very high	94.7	Very high	60 Å²	60	61.3 Å²	61.3	36%	0.364	35%	0.346	S	S	.	.	H	α-helix	trans	-63.2	-36.1	179.7	175.5	0	0	0	0	111.9	I329 A369 K371	I329-V373 HydrophobicContact CD1-CB 4.41Å; I329-V373 HydrophobicContact CD1-CG1 3.72Å; I329-V373 HydrophobicContact CG2-CG1 3.78Å; A369-V373 VanDerWaalsContact O-CG2 3.26Å; A369-V373 WeakPolarHBondContact O-CG2 3.31Å; A369-V373 PolarHBondContact O-N 2.95Å; K371-V373 PolarHBondContact O-N 2.81Å
374	V	97.1	Very high	94.7	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-71	-44.9	175.4	169.6	0	0	0	0	110.7	I329 L332 A370 K371 D372 E376 K377 F378 L383 V403 F405	I329-V374 HydrophobicContact CD1-CG2 4.14Å; I329-V374 HydrophobicContact CG1-CG2 4.28Å; L332-V374 HydrophobicContact CD1-CB 4.49Å; L332-V374 HydrophobicContact CD1-CG1 4.1Å; L332-V374 HydrophobicContact CD1-CG2 4.11Å; A370-V374 WeakPolarHBondContact O-CG2 3.24Å; A370-V374 PolarHBondContact O-N 2.92Å; K371-V374 PolarHBondContact O-N 2.86Å; D372-V374 VanDerWaalsContact C-N 3.3Å; D372-V374 PolarHBondContact O-N 3.28Å; V374-E376 VanDerWaalsContact C-N 3.29Å; V374-E376 PolarHBondContact O-N 2.57Å; V374-K377 WeakPolarHBondContact O-CB 3.31Å; V374-K377 PolarHBondContact O-N 2.97Å; V374-K377 VanDerWaalsContact O-N 3.13Å; V374-F378 HydrophobicContact CG1-CD2 4.49Å; V374-F378 HydrophobicContact CG1-CE2 4.25Å; V374-F378 VanDerWaalsContact O-CD2 3.26Å; V374-F378 WeakPolarHBondContact O-CD2 3.4Å; V374-L383 HydrophobicContact CG1-CD1 3.79Å; V374-V403 HydrophobicContact CB-CG1 4.21Å; V374-V403 HydrophobicContact CG1-CG1 4.2Å; V374-V403 HydrophobicContact CG2-CB 4.09Å; V374-V403 HydrophobicContact CG2-CG1 3.9Å; V374-V403 HydrophobicContact CG2-CG2 4.07Å; V374-F405 HydrophobicContact CG1-CD1 4.07Å; V374-F405 HydrophobicContact CG1-CE1 3.71Å; V374-F405 HydrophobicContact CG1-CZ 4.21Å
375	Q	95.1	Very high	94.7	Very high	49 Å²	49	59.3 Å²	59.3	23%	0.229	33%	0.332	C	S	.	.	H	α-helix	trans	-60.4	-37.5	177.6	-76.3	-178.8	-25.7	0	0	112.4	K371 D372 K377 F378 S379 N380 L383 L386	K371-Q375 WeakPolarHBondContact O-CB 3.46Å; K371-Q375 WeakPolarHBondContact O-CG 3.49Å; K371-Q375 PolarHBondContact O-N 2.98Å; D372-Q375 PolarHBondContact O-N 2.79Å; Q375-K377 VanDerWaalsContact C-N 3.25Å; Q375-K377 PolarHBondContact O-N 3.2Å; Q375-F378 CarbonylContact O-C 3.57Å; Q375-F378 VanDerWaalsContact O-C 3.29Å; Q375-F378 WeakPolarHBondContact O-CA 3.22Å; Q375-F378 PolarHBondContact O-N 2.91Å; Q375-S379 PolarHBondContact O-N 3.44Å; Q375-N380 WeakPolarHBondContact O-CA 3.4Å; Q375-N380 PolarHBondContact O-N 3.39Å; Q375-L383 HydrophobicContact CG-CD1 4.23Å; Q375-L383 HydrophobicContact CG-CG 4.43Å; Q375-L386 HydrophobicContact CG-CD2 3.84Å
376	E	95.5	Very high	94.8	Very high	129 Å²	129	56.3 Å²	56.3	60%	0.603	32%	0.316	S	S	*	.	H	α-helix	trans	-58.2	-37	175.9	-170.1	-173.1	168.9	0	0	111.9	D372 V374 F378 S379	D372-E376 WeakPolarHBondContact O-CB 3.41Å; D372-E376 PolarHBondContact O-N 3.08Å; V374-E376 VanDerWaalsContact C-N 3.29Å; V374-E376 PolarHBondContact O-N 2.57Å; E376-F378 PolarHBondContact O-N 3.03Å; E376-F378 VanDerWaalsContact O-N 3.13Å; E376-S379 PolarHBondContact O-N 3.36Å; E376-S379 VanDerWaalsContact O-N 3.15Å
377	K	95	Very high	94.8	Very high	71 Å²	71	59 Å²	59	31%	0.309	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.8	175.9	-60.4	-55.7	-167.1	178.2	0	113.6	I329 D330 L332 V374 Q375	I329-K377 HydrophobicContact CG2-CD 4.34Å; I329-K377 HydrophobicContact CG2-CG 4.02Å; D330-K377 IonicContact OD1-NZ 3.03Å; D330-K377 PolarHBondContact OD1-NZ 2.73Å; L332-K377 HydrophobicContact CB-CB 4.24Å; L332-K377 HydrophobicContact CB-CG 4.45Å; L332-K377 HydrophobicContact CD1-CB 4.28Å; L332-K377 HydrophobicContact CD1-CG 4.15Å; V374-K377 WeakPolarHBondContact O-CB 3.31Å; V374-K377 PolarHBondContact O-N 2.97Å; V374-K377 VanDerWaalsContact O-N 3.13Å; Q375-K377 VanDerWaalsContact C-N 3.25Å; Q375-K377 PolarHBondContact O-N 3.2Å
378	F	93.2	Very high	94.9	Very high	1 Å²	1	56.8 Å²	56.8	0%	0.004	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	34	176.6	-61.3	-84.3	0	0	0	111.3	L332 V374 Q375 E376 N380 V381 L383 F405 L407 P408 L413	L332-F378 HydrophobicContact CB-CE2 4.31Å; L332-F378 HydrophobicContact CB-CZ 4.22Å; L332-F378 HydrophobicContact CD1-CE2 4.18Å; V374-F378 HydrophobicContact CG1-CD2 4.49Å; V374-F378 HydrophobicContact CG1-CE2 4.25Å; V374-F378 VanDerWaalsContact O-CD2 3.26Å; V374-F378 WeakPolarHBondContact O-CD2 3.4Å; Q375-F378 CarbonylContact O-C 3.57Å; Q375-F378 VanDerWaalsContact O-C 3.29Å; Q375-F378 WeakPolarHBondContact O-CA 3.22Å; Q375-F378 PolarHBondContact O-N 2.91Å; E376-F378 PolarHBondContact O-N 3.03Å; E376-F378 VanDerWaalsContact O-N 3.13Å; F378-N380 PolarHBondContact O-N 2.84Å; F378-N380 VanDerWaalsContact O-N 3.09Å; F378-V381 PolarHBondContact O-N 3.38Å; F378-L383 HydrophobicContact CB-CD2 3.99Å; F378-L383 HydrophobicContact CD1-CD2 4.44Å; F378-L383 HydrophobicContact CD2-CD1 3.79Å; F378-L383 HydrophobicContact CD2-CD2 3.99Å; F378-L383 HydrophobicContact CD2-CG 4.46Å; F378-L383 HydrophobicContact CE2-CD1 4.24Å; F378-L383 HydrophobicContact CG-CD1 4.49Å; F378-L383 HydrophobicContact CG-CD2 3.9Å; F378-F405 HydrophobicContact CE1-CE2 4.44Å; F378-F405 HydrophobicContact CE2-CE1 4.49Å; F378-F405 AromaticContact CE2-CE2 3.65Å; F378-F405 HydrophobicContact CE2-CE2 3.65Å; F378-F405 AromaticContact CE2-CZ 3.52Å; F378-F405 HydrophobicContact CE2-CZ 3.52Å; F378-F405 AromaticContact CZ-CE2 3.61Å; F378-F405 HydrophobicContact CZ-CE2 3.61Å; F378-F405 AromaticContact CZ-CZ 3.65Å; F378-F405 HydrophobicContact CZ-CZ 3.65Å; F378-L407 HydrophobicContact CE1-CD1 4.03Å; F378-L407 HydrophobicContact CZ-CD1 4.27Å; F378-P408 HydrophobicContact CD1-CG 3.85Å; F378-P408 HydrophobicContact CE1-CG 4.23Å; F378-L413 HydrophobicContact CB-CD2 3.93Å; F378-L413 HydrophobicContact CD1-CD1 4.2Å; F378-L413 HydrophobicContact CD1-CD2 4.36Å
379	S	91.1	Very high	94.9	Very high	92 Å²	92	58.6 Å²	58.6	64%	0.643	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	26.3	176.1	-52.5	0	0	0	0	114.2	Q375 E376 V381	Q375-S379 PolarHBondContact O-N 3.44Å; E376-S379 PolarHBondContact O-N 3.36Å; E376-S379 VanDerWaalsContact O-N 3.15Å; S379-V381 PolarHBondContact O-N 2.91Å
380	N	89	Confident	94.9	Very high	106 Å²	106	60.5 Å²	60.5	57%	0.567	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	18.5	-175.9	-54.2	-57	0	0	0	115.3	Q375 F378	Q375-N380 WeakPolarHBondContact O-CA 3.4Å; Q375-N380 PolarHBondContact O-N 3.39Å; F378-N380 PolarHBondContact O-N 2.84Å; F378-N380 VanDerWaalsContact O-N 3.09Å
381	V	86.9	Confident	94.9	Very high	25 Å²	25	61.8 Å²	61.8	15%	0.152	34%	0.338	C	S	.	.			trans	-65.1	134.6	170.3	176.7	0	0	0	0	109.4	F378 S379 L383 L413	F378-V381 PolarHBondContact O-N 3.38Å; S379-V381 PolarHBondContact O-N 2.91Å; V381-L383 PolarHBondContact O-N 3.01Å; V381-L413 HydrophobicContact CB-CD2 3.91Å; V381-L413 HydrophobicContact CG1-CD2 4.38Å; V381-L413 HydrophobicContact CG2-CD2 3.88Å
382	P	89.8	Confident	94.8	Very high	111 Å²	111	61.4 Å²	61.4	72%	0.721	34%	0.335	S	S	*	.			trans	-58.3	111.3	177.1	-25.7	35	0	0	0	112.3
383	L	93.8	Very high	94.6	Very high	15 Å²	15	60.8 Å²	60.8	8%	0.079	33%	0.334	C	S	.	.			trans	-78.3	131	178.3	-61	176.1	0	0	0	111.6	V374 Q375 F378 V381 L386 F405 P408	V374-L383 HydrophobicContact CG1-CD1 3.79Å; Q375-L383 HydrophobicContact CG-CD1 4.23Å; Q375-L383 HydrophobicContact CG-CG 4.43Å; F378-L383 HydrophobicContact CB-CD2 3.99Å; F378-L383 HydrophobicContact CD1-CD2 4.44Å; F378-L383 HydrophobicContact CD2-CD1 3.79Å; F378-L383 HydrophobicContact CD2-CD2 3.99Å; F378-L383 HydrophobicContact CD2-CG 4.46Å; F378-L383 HydrophobicContact CE2-CD1 4.24Å; F378-L383 HydrophobicContact CG-CD1 4.49Å; F378-L383 HydrophobicContact CG-CD2 3.9Å; V381-L383 PolarHBondContact O-N 3.01Å; L383-L386 HydrophobicContact CB-CB 4.23Å; L383-L386 HydrophobicContact CB-CD2 4.48Å; L383-L386 HydrophobicContact CD1-CD1 4.4Å; L383-F405 HydrophobicContact CB-CB 4.28Å; L383-F405 HydrophobicContact CB-CD2 4.47Å; L383-F405 HydrophobicContact CD1-CD2 3.93Å; L383-F405 HydrophobicContact CD1-CE2 4.26Å; L383-F405 HydrophobicContact CD1-CG 4.1Å; L383-F405 HydrophobicContact CD2-CD2 4.3Å; L383-F405 HydrophobicContact CG-CD2 4.48Å; L383-P408 HydrophobicContact CD2-CG 3.78Å
384	Q	94.1	Very high	94.2	Very high	105 Å²	105	60.7 Å²	60.7	49%	0.491	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	143	177.5	-61.5	-175.4	31.1	0	0	111.6	L386 I406	Q384-L386 PolarHBondContact O-N 2.76Å; Q384-L386 VanDerWaalsContact O-N 3.1Å; Q384-I406 HydrophobicContact CB-CB 4.15Å; Q384-I406 HydrophobicContact CB-CD1 4.31Å; Q384-I406 PolarHBondContact O-N 3.11Å
385	S	95	Very high	93.6	Very high	76 Å²	76	63 Å²	63	53%	0.531	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	28.8	-179.1	-57.2	0	0	0	0	115	T387	S385-T387 PolarHBondContact O-N 2.8Å
386	L	97.4	Very high	93.1	Very high	27 Å²	27	65.8 Å²	65.8	14%	0.141	37%	0.372	C	S	.	.			trans	-64.4	106.4	179	-177.9	62.8	0	0	0	111.8	K371 Q375 L383 Q384 V403 S404 F405	K371-L386 HydrophobicContact CB-CD2 4.04Å; K371-L386 HydrophobicContact CD-CD2 4.26Å; K371-L386 HydrophobicContact CD-CG 4.46Å; K371-L386 HydrophobicContact CG-CD2 4.01Å; K371-L386 HydrophobicContact CG-CG 4.18Å; Q375-L386 HydrophobicContact CG-CD2 3.84Å; L383-L386 HydrophobicContact CB-CB 4.23Å; L383-L386 HydrophobicContact CB-CD2 4.48Å; L383-L386 HydrophobicContact CD1-CD1 4.4Å; Q384-L386 PolarHBondContact O-N 2.76Å; Q384-L386 VanDerWaalsContact O-N 3.1Å; L386-V403 HydrophobicContact CD1-CG1 3.52Å; L386-S404 CarbonylContact C-O 3.53Å; L386-S404 WeakPolarHBondContact CA-O 3.43Å; L386-F405 HydrophobicContact CB-CB 4.43Å; L386-F405 HydrophobicContact CD1-CB 3.99Å; L386-F405 HydrophobicContact CD1-CD1 4.41Å; L386-F405 HydrophobicContact CD1-CG 4.5Å
387	T	97.9	Very high	92.8	Very high	72 Å²	72	68.1 Å²	68.1	44%	0.442	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.5	179.8	54	0	0	0	0	110.3	S385 V403 S404	S385-T387 PolarHBondContact O-N 2.8Å; T387-V403 CarbonylContact O-C 3.54Å; T387-V403 WeakPolarHBondContact O-CA 3.38Å; T387-S404 PolarHBondContact N-O 3.19Å; T387-S404 PolarHBondContact O-N 2.94Å; T387-S404 PolarHBondContact OG1-O 3.01Å
388	V	98.3	Very high	92.7	Very high	26 Å²	26	67.4 Å²	67.4	16%	0.158	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126	174.9	-176.6	0	0	0	0	108	I367 A370 K371 L401 V403	I367-V388 HydrophobicContact CG1-CG1 4.16Å; I367-V388 HydrophobicContact CG2-CB 4Å; I367-V388 HydrophobicContact CG2-CG1 4.42Å; I367-V388 HydrophobicContact CG2-CG2 4.31Å; A370-V388 HydrophobicContact CB-CG1 4.41Å; K371-V388 HydrophobicContact CD-CG2 4.34Å; K371-V388 HydrophobicContact CG-CG2 3.5Å; V388-L401 HydrophobicContact CG1-CB 4.03Å; V388-L401 HydrophobicContact CG1-CD1 4.3Å; V388-L401 HydrophobicContact CG1-CD2 4.31Å; V388-L401 HydrophobicContact CG1-CG 4.44Å; V388-V403 HydrophobicContact CG1-CG2 4.48Å; V388-V403 HydrophobicContact CG2-CG1 4.26Å; V388-V403 HydrophobicContact CG2-CG2 4.17Å
389	H	98.1	Very high	92.8	Very high	73 Å²	73	69.2 Å²	69.2	34%	0.338	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.4	170.5	-179.1	60.2	0	0	0	109.3	E227 R230 V391 L401 C402	E227-H389 IonicContact OE2-CD2 3.41Å; E227-H389 PolarHBondContact OE2-CD2 2.71Å; E227-H389 IonicContact OE2-NE2 3.37Å; R230-H389 WeakPolarHBondContact CD-NE2 3.33Å; R230-H389 VanDerWaalsContact CZ-CD2 3.49Å; R230-H389 PolarHBondContact NE-CD2 3.36Å; R230-H389 PolarHBondContact NE-NE2 3.04Å; H389-V391 PolarHBondContact O-N 2.79Å; H389-L401 CarbonylContact O-C 3.47Å; H389-L401 WeakPolarHBondContact O-CA 3.39Å; H389-C402 HydrophobicContact CB-CB 4.35Å; H389-C402 PolarHBondContact N-O 3.27Å; H389-C402 PolarHBondContact O-N 3.09Å
390	D	97.7	Very high	93.2	Very high	63 Å²	63	65.4 Å²	65.4	34%	0.337	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	106.1	168.8	-172.1	-0.7	0	0	0	109.5	R392 H399 L401	D390-R392 PolarHBondContact OD1-N 2.89Å; D390-H399 IonicContact OD1-ND1 3.47Å; D390-H399 PolarHBondContact OD1-ND1 3.43Å; D390-H399 IonicContact OD2-CE1 2.8Å; D390-H399 PolarHBondContact OD2-CE1 2.82Å; D390-H399 IonicContact OD2-CG 3.34Å; D390-H399 IonicContact OD2-ND1 3.96Å; D390-H399 PolarHBondContact OD2-ND1 2.78Å; D390-L401 HydrophobicContact CB-CD2 3.81Å
391	V	97.6	Very high	93.6	Very high	29 Å²	29	60.4 Å²	60.4	18%	0.176	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-47	-174.2	-177.3	0	0	0	0	109.5	L224 E227 Y358 H389 M400 C402	L224-V391 HydrophobicContact CD2-CG1 4.49Å; E227-V391 HydrophobicContact CB-CG1 3.74Å; E227-V391 HydrophobicContact CG-CG1 3.6Å; E227-V391 HydrophobicContact CG-CG2 4.21Å; Y358-V391 HydrophobicContact CD1-CG2 4.26Å; Y358-V391 HydrophobicContact CE1-CG2 3.93Å; H389-V391 PolarHBondContact O-N 2.79Å; V391-M400 HydrophobicContact CB-CB 4.38Å; V391-M400 HydrophobicContact CB-CG 4.19Å; V391-M400 VanDerWaalsContact CB-O 3.24Å; V391-M400 WeakPolarHBondContact CB-O 3.4Å; V391-M400 HydrophobicContact CG1-SD 4.46Å; V391-M400 HydrophobicContact CG2-CG 4.35Å; V391-M400 PolarHBondContact N-O 3.13Å; V391-C402 HydrophobicContact CG2-CB 4.08Å
392	R	95.2	Very high	94.2	Very high	68 Å²	68	59.2 Å²	59.2	26%	0.257	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-178	158.4	-175.5	58.4	-178.8	-60.4	138.6	9	112.4	R223 D390 V394 M400	R223-R392 PolarHBondContact O-NH1 3.41Å; D390-R392 PolarHBondContact OD1-N 2.89Å; R392-V394 HydrophobicContact CG-CG1 3.86Å; R392-M400 HydrophobicContact CG-CB 3.99Å; R392-M400 HydrophobicContact CG-SD 4.49Å; R392-M400 PolarHBondContact N-O 2.93Å; R392-M400 PolarHBondContact O-N 3.5Å
393	V	92.6	Very high	94.6	Very high	78 Å²	78	53.9 Å²	53.9	47%	0.473	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	130.5	157.3	-175.4	0	0	0	0	109.6	S395	V393-S395 WeakPolarHBondContact CG1-O 3.47Å
394	V	88	Confident	94.8	Very high	58 Å²	58	53.4 Å²	53.4	35%	0.352	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-25.3	178.9	-62.6	0	0	0	0	113.6	F360 R392 K398 M400	F360-V394 HydrophobicContact CD1-CG2 3.91Å; F360-V394 HydrophobicContact CE1-CB 4.42Å; F360-V394 HydrophobicContact CE1-CG1 3.98Å; F360-V394 HydrophobicContact CE1-CG2 3.83Å; R392-V394 HydrophobicContact CG-CG1 3.86Å; V394-K398 HydrophobicContact CG2-CB 3.97Å; V394-K398 HydrophobicContact CG2-CD 3.7Å; V394-K398 HydrophobicContact CG2-CG 3.61Å; V394-K398 WeakPolarHBondContact CG2-O 3.17Å; V394-K398 PolarHBondContact N-O 3Å; V394-M400 HydrophobicContact CG1-CB 3.83Å
395	S	84.1	Confident	95	Very high	49 Å²	49	48.4 Å²	48.4	34%	0.343	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	168.9	168.7	68.8	0	0	0	0	108.1	V393 F397 K398	V393-S395 WeakPolarHBondContact CG1-O 3.47Å; S395-F397 PolarHBondContact O-N 3.24Å; S395-K398 PolarHBondContact O-N 3.48Å; S395-K398 WeakPolarHBondContact OG-CB 3.23Å
396	P	84.1	Confident	95	Very high	108 Å²	108	46.1 Å²	46.1	70%	0.701	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47	129.4	174.6	-28	35.9	0	0	0	111.1	K398	P396-K398 PolarHBondContact O-N 3.15Å
397	F	88.8	Confident	94.9	Very high	178 Å²	178	45 Å²	45	78%	0.781	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	16.8	-179.5	-44.1	-73.8	0	0	0	115.5	K362 S395	K362-F397 WeakPolarHBondContact CA-O 3.23Å; S395-F397 PolarHBondContact O-N 3.24Å
398	K	93.3	Very high	94.6	Very high	55 Å²	55	41.9 Å²	41.9	24%	0.239	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	112.7	177.9	-169.2	179.9	174.9	-179.7	0	110.2	F360 C361 K362 V394 S395 P396	F360-K398 VanDerWaalsContact CB-CE 3.46Å; F360-K398 HydrophobicContact CB-CG 4.4Å; C361-K398 WeakPolarHBondContact O-CA 3.48Å; K362-K398 HydrophobicContact CG-CB 4.04Å; K362-K398 HydrophobicContact CG-CG 3.95Å; V394-K398 HydrophobicContact CG2-CB 3.97Å; V394-K398 HydrophobicContact CG2-CD 3.7Å; V394-K398 HydrophobicContact CG2-CG 3.61Å; V394-K398 WeakPolarHBondContact CG2-O 3.17Å; V394-K398 PolarHBondContact N-O 3Å; S395-K398 PolarHBondContact O-N 3.48Å; S395-K398 WeakPolarHBondContact OG-CB 3.23Å; P396-K398 PolarHBondContact O-N 3.15Å
399	H	96.9	Very high	94.1	Very high	40 Å²	40	41.4 Å²	41.4	19%	0.185	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	144.5	178.1	-68.9	-109.3	0	0	0	110.4	F360 C361 P366 D390 L401	F360-H399 CarbonylContact C-O 3.57Å; F360-H399 VanDerWaalsContact CA-O 3.23Å; F360-H399 WeakPolarHBondContact CA-O 3.32Å; C361-H399 PolarHBondContact N-O 3.37Å; C361-H399 PolarHBondContact O-N 3.01Å; P366-H399 HydrophobicContact CB-CB 4.11Å; P366-H399 HydrophobicContact CG-CB 4.35Å; D390-H399 IonicContact OD1-ND1 3.47Å; D390-H399 PolarHBondContact OD1-ND1 3.43Å; D390-H399 IonicContact OD2-CE1 2.8Å; D390-H399 PolarHBondContact OD2-CE1 2.82Å; D390-H399 IonicContact OD2-CG 3.34Å; D390-H399 IonicContact OD2-ND1 3.96Å; D390-H399 PolarHBondContact OD2-ND1 2.78Å; H399-L401 HydrophobicContact CB-CD2 3.94Å; H399-L401 HydrophobicContact CB-CG 4.22Å
400	M	97.8	Very high	93.3	Very high	12 Å²	12	39.3 Å²	39.3	6%	0.059	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124.1	162.9	178.6	174.5	169.2	0	0	107.5	L224 P325 Y358 T359 F360 V391 R392 V394	L224-M400 HydrophobicContact CD2-CE 4.01Å; L224-M400 HydrophobicContact CD2-SD 4Å; P325-M400 HydrophobicContact CB-CG 4.5Å; P325-M400 HydrophobicContact CG-CE 3.76Å; P325-M400 HydrophobicContact CG-CG 4.33Å; P325-M400 HydrophobicContact CG-SD 4.21Å; Y358-M400 HydrophobicContact CD1-CE 3.37Å; Y358-M400 HydrophobicContact CE1-CE 3.78Å; Y358-M400 HydrophobicContact CG-CE 4.24Å; T359-M400 WeakPolarHBondContact O-CA 3.26Å; F360-M400 HydrophobicContact CD1-CB 4.01Å; F360-M400 HydrophobicContact CD1-CG 4.44Å; F360-M400 HydrophobicContact CE1-CB 3.87Å; F360-M400 HydrophobicContact CE1-CG 4.09Å; F360-M400 HydrophobicContact CE1-SD 4.37Å; V391-M400 HydrophobicContact CB-CB 4.38Å; V391-M400 HydrophobicContact CB-CG 4.19Å; V391-M400 VanDerWaalsContact CB-O 3.24Å; V391-M400 WeakPolarHBondContact CB-O 3.4Å; V391-M400 HydrophobicContact CG1-SD 4.46Å; V391-M400 HydrophobicContact CG2-CG 4.35Å; V391-M400 PolarHBondContact N-O 3.13Å; R392-M400 HydrophobicContact CG-CB 3.99Å; R392-M400 HydrophobicContact CG-SD 4.49Å; R392-M400 PolarHBondContact N-O 2.93Å; R392-M400 PolarHBondContact O-N 3.5Å; V394-M400 HydrophobicContact CG1-CB 3.83Å
401	L	98.4	Very high	92.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	149.8	-174.8	-54.9	173.2	0	0	0	109.3	Y358 T359 C361 P366 A370 V388 H389 D390 H399	Y358-L401 CarbonylContact C-O 3.58Å; Y358-L401 WeakPolarHBondContact CA-O 3.39Å; T359-L401 HydrophobicContact CG2-CB 4.05Å; T359-L401 HydrophobicContact CG2-CD1 4.45Å; T359-L401 PolarHBondContact N-O 3.16Å; T359-L401 PolarHBondContact O-N 3.06Å; C361-L401 HydrophobicContact CB-CD1 3.64Å; P366-L401 HydrophobicContact CB-CD1 3.92Å; P366-L401 HydrophobicContact CB-CD2 4.43Å; P366-L401 WeakPolarHBondContact O-CD1 3.4Å; A370-L401 HydrophobicContact CB-CD1 3.48Å; A370-L401 VanDerWaalsContact CB-CD1 3.48Å; V388-L401 HydrophobicContact CG1-CB 4.03Å; V388-L401 HydrophobicContact CG1-CD1 4.3Å; V388-L401 HydrophobicContact CG1-CD2 4.31Å; V388-L401 HydrophobicContact CG1-CG 4.44Å; H389-L401 CarbonylContact O-C 3.47Å; H389-L401 WeakPolarHBondContact O-CA 3.39Å; D390-L401 HydrophobicContact CB-CD2 3.81Å; H399-L401 HydrophobicContact CB-CD2 3.94Å; H399-L401 HydrophobicContact CB-CG 4.22Å
402	C	98.6	Very high	91.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	107.7	167.6	171.6	0	0	0	0	108.3	R230 Y358 H389 V391	R230-C402 PolarHBondContact NH2-SG 3.48Å; Y358-C402 HydrophobicContact CD1-CB 3.89Å; Y358-C402 HydrophobicContact CE1-CB 3.63Å; Y358-C402 HydrophobicContact CE2-CB 4.47Å; Y358-C402 HydrophobicContact CG-CB 4.43Å; H389-C402 HydrophobicContact CB-CB 4.35Å; H389-C402 PolarHBondContact N-O 3.27Å; H389-C402 PolarHBondContact O-N 3.09Å; V391-C402 HydrophobicContact CG2-CB 4.08Å
403	V	98.6	Very high	90.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	123.7	173.2	-170.3	0	0	0	0	108.3	C357 T359 A370 V374 L386 T387 V388 F405	C357-V403 PolarHBondContact N-O 3.11Å; C357-V403 PolarHBondContact O-N 2.72Å; T359-V403 HydrophobicContact CG2-CG2 4.27Å; A370-V403 HydrophobicContact CB-CG2 3.94Å; V374-V403 HydrophobicContact CB-CG1 4.21Å; V374-V403 HydrophobicContact CG1-CG1 4.2Å; V374-V403 HydrophobicContact CG2-CB 4.09Å; V374-V403 HydrophobicContact CG2-CG1 3.9Å; V374-V403 HydrophobicContact CG2-CG2 4.07Å; L386-V403 HydrophobicContact CD1-CG1 3.52Å; T387-V403 CarbonylContact O-C 3.54Å; T387-V403 WeakPolarHBondContact O-CA 3.38Å; V388-V403 HydrophobicContact CG1-CG2 4.48Å; V388-V403 HydrophobicContact CG2-CG1 4.26Å; V388-V403 HydrophobicContact CG2-CG2 4.17Å; V403-F405 HydrophobicContact CG1-CD1 4.4Å
404	S	98.7	Very high	89.5	Confident	5 Å²	5	44.8 Å²	44.8	4%	0.035	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.7	178.9	-60.9	0	0	0	0	111.1	V355 H356 L386 T387	V355-S404 WeakPolarHBondContact O-CA 3.39Å; H356-S404 PolarHBondContact ND1-OG 2.99Å; L386-S404 CarbonylContact C-O 3.53Å; L386-S404 WeakPolarHBondContact CA-O 3.43Å; T387-S404 PolarHBondContact N-O 3.19Å; T387-S404 PolarHBondContact O-N 2.94Å; T387-S404 PolarHBondContact OG1-O 3.01Å
405	F	98	Very high	87.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	165.2	-179.2	60.3	-81.8	0	0	0	110.4	L332 F354 V355 V374 F378 L383 L386 V403	L332-F405 HydrophobicContact CD2-CE1 4.39Å; L332-F405 HydrophobicContact CD2-CZ 4.05Å; F354-F405 WeakPolarHBondContact CA-O 3.19Å; V355-F405 HydrophobicContact CB-CD1 4.25Å; V355-F405 HydrophobicContact CB-CD2 4.48Å; V355-F405 HydrophobicContact CB-CE1 3.73Å; V355-F405 HydrophobicContact CB-CE2 3.99Å; V355-F405 HydrophobicContact CB-CZ 3.58Å; V355-F405 HydrophobicContact CG1-CE1 3.76Å; V355-F405 HydrophobicContact CG1-CZ 3.7Å; V355-F405 HydrophobicContact CG2-CE2 4.01Å; V355-F405 HydrophobicContact CG2-CZ 3.94Å; V355-F405 PolarHBondContact N-O 2.87Å; V355-F405 PolarHBondContact O-N 3.02Å; V355-F405 VanDerWaalsContact O-N 3.14Å; V374-F405 HydrophobicContact CG1-CD1 4.07Å; V374-F405 HydrophobicContact CG1-CE1 3.71Å; V374-F405 HydrophobicContact CG1-CZ 4.21Å; F378-F405 HydrophobicContact CE1-CE2 4.44Å; F378-F405 HydrophobicContact CE2-CE1 4.49Å; F378-F405 AromaticContact CE2-CE2 3.65Å; F378-F405 HydrophobicContact CE2-CE2 3.65Å; F378-F405 AromaticContact CE2-CZ 3.52Å; F378-F405 HydrophobicContact CE2-CZ 3.52Å; F378-F405 AromaticContact CZ-CE2 3.61Å; F378-F405 HydrophobicContact CZ-CE2 3.61Å; F378-F405 AromaticContact CZ-CZ 3.65Å; F378-F405 HydrophobicContact CZ-CZ 3.65Å; L383-F405 HydrophobicContact CB-CB 4.28Å; L383-F405 HydrophobicContact CB-CD2 4.47Å; L383-F405 HydrophobicContact CD1-CD2 3.93Å; L383-F405 HydrophobicContact CD1-CE2 4.26Å; L383-F405 HydrophobicContact CD1-CG 4.1Å; L383-F405 HydrophobicContact CD2-CD2 4.3Å; L383-F405 HydrophobicContact CG-CD2 4.48Å; L386-F405 HydrophobicContact CB-CB 4.43Å; L386-F405 HydrophobicContact CD1-CB 3.99Å; L386-F405 HydrophobicContact CD1-CD1 4.41Å; L386-F405 HydrophobicContact CD1-CG 4.5Å; V403-F405 HydrophobicContact CG1-CD1 4.4Å
406	I	95.9	Very high	88	Confident	28 Å²	28	50.5 Å²	50.5	14%	0.144	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	127.9	168.9	-64.5	170.5	0	0	0	107.9	I352 M353 F354 Q384 P408	I352-I406 HydrophobicContact CG2-CB 4.26Å; I352-I406 HydrophobicContact CG2-CD1 3.71Å; I352-I406 HydrophobicContact CG2-CG1 3.62Å; I352-I406 HydrophobicContact CG2-CG2 3.71Å; M353-I406 CarbonylContact O-C 3.55Å; M353-I406 WeakPolarHBondContact O-CA 3.36Å; F354-I406 HydrophobicContact CD1-CG1 3.82Å; F354-I406 HydrophobicContact CE1-CD1 4.02Å; F354-I406 HydrophobicContact CE1-CG1 3.47Å; F354-I406 VanDerWaalsContact CE1-CG1 3.47Å; F354-I406 HydrophobicContact CZ-CD1 4.36Å; F354-I406 HydrophobicContact CZ-CG1 4.15Å; Q384-I406 HydrophobicContact CB-CB 4.15Å; Q384-I406 HydrophobicContact CB-CD1 4.31Å; Q384-I406 PolarHBondContact O-N 3.11Å; I406-P408 WeakPolarHBondContact O-CD 3.21Å
407	L	94.4	Very high	88.2	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.021	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-61.8	121.1	177.4	-175.8	67.7	0	0	0	109.3	L335 M338 R339 L342 M353 V355 F378	L335-L407 HydrophobicContact CB-CD1 3.91Å; L335-L407 HydrophobicContact CB-CD2 4.34Å; L335-L407 HydrophobicContact CD1-CD1 3.97Å; L335-L407 HydrophobicContact CG-CD1 4.49Å; M338-L407 HydrophobicContact CB-CD2 4.02Å; R339-L407 HydrophobicContact CG-CD1 3.77Å; R339-L407 HydrophobicContact CG-CD2 3.73Å; R339-L407 HydrophobicContact CG-CG 3.66Å; L342-L407 HydrophobicContact CD1-CB 4.3Å; L342-L407 HydrophobicContact CD1-CD2 4.18Å; L342-L407 HydrophobicContact CD1-CG 4.18Å; L342-L407 VanDerWaalsContact CD1-O 3.31Å; L342-L407 WeakPolarHBondContact CD1-O 3.38Å; M353-L407 HydrophobicContact CB-CB 3.98Å; M353-L407 HydrophobicContact CB-CD2 4.33Å; M353-L407 WeakPolarHBondContact O-CB 3.43Å; M353-L407 PolarHBondContact O-N 3.24Å; M353-L407 HydrophobicContact SD-CD2 4.06Å; V355-L407 HydrophobicContact CG2-CB 4.04Å; V355-L407 HydrophobicContact CG2-CD1 4.13Å; F378-L407 HydrophobicContact CE1-CD1 4.03Å; F378-L407 HydrophobicContact CZ-CD1 4.27Å
408	P	91.2	Very high	88.1	Confident	6 Å²	6	40.2 Å²	40.2	4%	0.039	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-68.7	148	178.9	27	-35	0	0	0	111.2	R339 F378 L383 I406 E412 L413	R339-P408 VanDerWaalsContact CD-O 3.23Å; R339-P408 WeakPolarHBondContact CD-O 3.16Å; R339-P408 VanDerWaalsContact CG-O 3.25Å; R339-P408 WeakPolarHBondContact CG-O 3.26Å; F378-P408 HydrophobicContact CD1-CG 3.85Å; F378-P408 HydrophobicContact CE1-CG 4.23Å; L383-P408 HydrophobicContact CD2-CG 3.78Å; I406-P408 WeakPolarHBondContact O-CD 3.21Å; P408-E412 WeakPolarHBondContact CA-OE2 3.34Å; P408-E412 HydrophobicContact CB-CB 4.18Å; P408-E412 WeakPolarHBondContact CB-OE2 3.39Å; P408-L413 HydrophobicContact CB-CD2 4.4Å; P408-L413 HydrophobicContact CG-CD1 4.37Å; P408-L413 HydrophobicContact CG-CD2 3.99Å; P408-L413 HydrophobicContact CG-CG 4.27Å
409	A	87.3	Confident	87.8	Confident	16 Å²	16	39.3 Å²	39.3	13%	0.132	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-66	160.9	172.9	0	0	0	0	0	110.9	L342 E411 E412	L342-A409 HydrophobicContact CB-CB 3.89Å; A409-E411 WeakPolarHBondContact CB-OE2 3.33Å; A409-E411 PolarHBondContact O-N 2.94Å; A409-E412 HydrophobicContact CB-CG 4.18Å; A409-E412 PolarHBondContact N-OE2 3.27Å; A409-E412 VanDerWaalsContact N-OE2 3.12Å; A409-E412 PolarHBondContact O-N 3.14Å
410	A	83.2	Confident	87.2	Confident	28 Å²	28	39.3 Å²	39.3	23%	0.231	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-34.3	-179.1	0	0	0	0	0	112.2	E412 L413	A410-E412 VanDerWaalsContact C-N 3.34Å; A410-L413 PolarHBondContact O-N 2.88Å
411	E	80.1	Confident	86.5	Confident	109 Å²	109	41.1 Å²	41.1	51%	0.509	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-69.3	-30.5	179.6	-58.5	76.4	-164.3	0	0	112.7	A409 L413 N414	A409-E411 WeakPolarHBondContact CB-OE2 3.33Å; A409-E411 PolarHBondContact O-N 2.94Å; E411-L413 PolarHBondContact O-N 2.72Å; E411-N414 PolarHBondContact O-N 3.25Å
412	E	80.2	Confident	85.7	Confident	74 Å²	74	44 Å²	44	35%	0.346	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-70.3	-19.4	-178.5	-65.5	179.5	162.1	0	0	112.8	P408 A409 A410	P408-E412 WeakPolarHBondContact CA-OE2 3.34Å; P408-E412 HydrophobicContact CB-CB 4.18Å; P408-E412 WeakPolarHBondContact CB-OE2 3.39Å; A409-E412 HydrophobicContact CB-CG 4.18Å; A409-E412 PolarHBondContact N-OE2 3.27Å; A409-E412 VanDerWaalsContact N-OE2 3.12Å; A409-E412 PolarHBondContact O-N 3.14Å; A410-E412 VanDerWaalsContact C-N 3.34Å
413	L	74	Confident	84.7	Confident	27 Å²	27	47.4 Å²	47.4	14%	0.141	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-92.2	-9.1	-179.5	-63.4	176.7	0	0	0	114.3	F378 V381 P408 A410 E411 V415	F378-L413 HydrophobicContact CB-CD2 3.93Å; F378-L413 HydrophobicContact CD1-CD1 4.2Å; F378-L413 HydrophobicContact CD1-CD2 4.36Å; V381-L413 HydrophobicContact CB-CD2 3.91Å; V381-L413 HydrophobicContact CG1-CD2 4.38Å; V381-L413 HydrophobicContact CG2-CD2 3.88Å; P408-L413 HydrophobicContact CB-CD2 4.4Å; P408-L413 HydrophobicContact CG-CD1 4.37Å; P408-L413 HydrophobicContact CG-CD2 3.99Å; P408-L413 HydrophobicContact CG-CG 4.27Å; A410-L413 PolarHBondContact O-N 2.88Å; E411-L413 PolarHBondContact O-N 2.72Å; L413-V415 VanDerWaalsContact C-N 3.27Å; L413-V415 PolarHBondContact O-N 2.81Å
414	N	68.1	Low	83.5	Confident	144 Å²	144	51.3 Å²	51.3	77%	0.77	29%	0.286	S	S	*	.			trans	-89.6	14.5	179.4	-69	-34.3	0	0	0	113	E411	E411-N414 PolarHBondContact O-N 3.25Å
415	V	51.5	Low	82.2	Confident	175 Å²	175	55.5 Å²	55.5	100%	1.061	31%	0.309	S	S	*	.			trans	-91.4	0	-177.3	-176.8	0	0	0	0	112.2	L413	L413-V415 VanDerWaalsContact C-N 3.27Å; L413-V415 PolarHBondContact O-N 2.81Å

Retrieved 415 of 415 residues in 342.4 ms (Link to these results)

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