A0A2K5XW49_MANLE Loading...

Ena/VASP-like protein

Ena/VASP proteins are actin-associated proteins involved in a range of processes dependent on cytoskeleton remodeling and cell polarity such as axon guidance and lamellipodial and filopodial dynamics in migrating cells. EVL enhances actin nucleation and polymerization. Ena/VASP proteins are actin-associated proteins involved in a range of processes dependent on cytoskeleton remodeling and cell polarity such as axon guidance, lamellipodial and filopodial dynamics, platelet activation and cell migration.

AlphaFold DB , UniProt , Accession A0A2K5XW49, Species MANLE (Mandrillus leucophaeus, Drill), Gene EVL, Length 418 aa.

Structure Viewer

Loading PAE data...

(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	44.9	Very low	82.8	Confident	240 Å²	240	85.2 Å²	85.2	100%	1.182	48%	0.48	S	S	*	.				0	127.2	0	-58.7	175.1	-165.5	0	0	106.9	T3	M1-T3 PolarHBondContact O-N 3.45Å
2	A	50.4	Low	84.1	Confident	103 Å²	103	87.7 Å²	87.7	85%	0.851	48%	0.476	S	S	*	.			trans	-68.5	128.1	172.1	0	0	0	0	0	108.7	S4	A2-S4 PolarHBondContact O-N 3.18Å
3	T	63.8	Low	85.2	Confident	127 Å²	127	80.9 Å²	80.9	78%	0.779	44%	0.44	S	S	*	.			trans	-70.6	114.9	175.6	48.3	0	0	0	0	108.7	M1 E5	M1-T3 PolarHBondContact O-N 3.45Å; T3-E5 PolarHBondContact O-N 3.3Å
4	S	79.2	Confident	86.1	Confident	54 Å²	54	76.6 Å²	76.6	38%	0.378	42%	0.418	S	S	.	.	S	Bend	trans	-70.3	-9.4	-176.5	54.8	0	0	0	0	114.4	A2 N43 T44	A2-S4 PolarHBondContact O-N 3.18Å; S4-N43 WeakPolarHBondContact O-CA 3.4Å; S4-T44 PolarHBondContact O-N 3.26Å
5	E	88.5	Confident	86.9	Confident	69 Å²	69	71.9 Å²	71.9	32%	0.322	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	111.2	177.7	-57.5	-166.4	137	0	0	111.4	T3 Y41 H42 N43 R50	T3-E5 PolarHBondContact O-N 3.3Å; E5-Y41 HydrophobicContact CB-CD1 4.25Å; E5-H42 WeakPolarHBondContact CA-O 3.22Å; E5-N43 HydrophobicContact CG-CB 4.32Å; E5-R50 VanDerWaalsContact CD-CZ 3.49Å; E5-R50 IonicContact OE1-CZ 2.7Å; E5-R50 IonicContact OE1-NE 2.7Å; E5-R50 IonicContact OE1-NH1 2.76Å; E5-R50 PolarHBondContact OE1-NH1 3.21Å; E5-R50 IonicContact OE1-NH2 2.68Å; E5-R50 IonicContact OE2-CZ 3.32Å; E5-R50 IonicContact OE2-NH1 2.87Å; E5-R50 PolarHBondContact OE2-NH1 2.99Å; E5-R50 IonicContact OE2-NH2 2.85Å; E5-R50 PolarHBondContact OE2-NH2 3.18Å
6	Q	94.7	Very high	87.5	Confident	130 Å²	130	69.3 Å²	69.3	61%	0.607	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	134.5	176.7	-176.8	172.8	-5.7	0	0	110.8	I8 Y41 H42	Q6-I8 PolarHBondContact O-N 3.31Å; Q6-Y41 CarbonylContact O-C 3.57Å; Q6-Y41 VanDerWaalsContact O-CA 3.3Å; Q6-Y41 WeakPolarHBondContact O-CA 3.27Å; Q6-H42 PolarHBondContact N-O 3.48Å; Q6-H42 PolarHBondContact O-N 3.46Å
7	S	96.8	Very high	88	Confident	45 Å²	45	66.4 Å²	66.4	32%	0.315	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	120.4	173	-160.4	0	0	0	0	109.5	C9 N39 I40	S7-C9 PolarHBondContact OG-O 2.98Å; S7-C9 VanDerWaalsContact OG-O 3.08Å; S7-N39 WeakPolarHBondContact OG-CB 3.39Å; S7-I40 CarbonylContact C-O 3.6Å; S7-I40 WeakPolarHBondContact CA-O 3.42Å
8	I	97.3	Very high	88.5	Confident	55 Å²	55	65.9 Å²	65.9	28%	0.282	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-17	179.4	64	161.6	0	0	0	113.2	Q6 I40 H42 F49 A106 F109	Q6-I8 PolarHBondContact O-N 3.31Å; I8-I40 HydrophobicContact CD1-CB 4.32Å; I8-I40 HydrophobicContact CD1-CG2 3.83Å; I8-I40 HydrophobicContact CG1-CB 3.89Å; I8-I40 HydrophobicContact CG1-CG2 3.82Å; I8-I40 WeakPolarHBondContact CG1-O 3.26Å; I8-I40 PolarHBondContact N-O 3.22Å; I8-H42 HydrophobicContact CG2-CB 3.82Å; I8-F49 HydrophobicContact CD1-CD1 4Å; I8-F49 HydrophobicContact CD1-CE1 3.96Å; I8-A106 HydrophobicContact CD1-CB 4.28Å; I8-F109 HydrophobicContact CD1-CD1 4.04Å; I8-F109 HydrophobicContact CD1-CE1 4.34Å
9	C	98.1	Very high	88.9	Confident	13 Å²	13	65.2 Å²	65.2	9%	0.088	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	166.7	168.1	75.1	0	0	0	0	111.6	S7 N39 I40 A106	S7-C9 PolarHBondContact OG-O 2.98Å; S7-C9 VanDerWaalsContact OG-O 3.08Å; C9-N39 WeakPolarHBondContact O-CA 3.44Å; C9-I40 PolarHBondContact O-N 3.46Å; C9-I40 VanDerWaalsContact SG-CG1 3.56Å; C9-A106 HydrophobicContact CB-CB 3.5Å; C9-A106 VanDerWaalsContact CB-CB 3.5Å; C9-A106 VanDerWaalsContact SG-CB 3.58Å
10	Q	98.3	Very high	89.2	Confident	99 Å²	99	65.4 Å²	65.4	46%	0.463	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	138.8	169.9	-179.1	164.9	131.8	0	0	109.9	R37 I38 N39	Q10-R37 HydrophobicContact CG-CG 3.86Å; Q10-I38 CarbonylContact C-O 3.54Å; Q10-I38 WeakPolarHBondContact CA-O 3.21Å; Q10-N39 WeakPolarHBondContact CB-OD1 3.44Å; Q10-N39 VanDerWaalsContact CG-OD1 3.24Å; Q10-N39 WeakPolarHBondContact CG-OD1 3.47Å; Q10-N39 PolarHBondContact NE2-OD1 3.08Å; Q10-N39 VanDerWaalsContact NE2-OD1 3.13Å
11	A	98.6	Very high	89.5	Confident	2 Å²	2	68.7 Å²	68.7	2%	0.017	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	161.7	176.6	0	0	0	0	0	110.2	I38 F94 E99 F103	A11-I38 PolarHBondContact N-O 3.2Å; A11-I38 PolarHBondContact O-N 3.23Å; A11-F94 HydrophobicContact CB-CD1 4.07Å; A11-F94 HydrophobicContact CB-CE1 3.92Å; A11-E99 HydrophobicContact CB-CB 3.99Å; A11-F103 HydrophobicContact CB-CB 4.12Å; A11-F103 HydrophobicContact CB-CD2 4.46Å
12	R	98.6	Very high	91.9	Very high	115 Å²	115	59.5 Å²	59.5	43%	0.434	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.6	167.7	-58.5	166.7	-61.8	158.3	10.3	110.5	S36 L56 F94 A95 E99	R12-S36 WeakPolarHBondContact CA-O 3.35Å; R12-L56 HydrophobicContact CG-CD1 4.46Å; R12-F94 WeakPolarHBondContact O-CA 3.36Å; R12-A95 HydrophobicContact CB-CB 3.93Å; R12-A95 PolarHBondContact O-N 3.01Å; R12-E99 WeakPolarHBondContact CB-OE1 3.49Å; R12-E99 WeakPolarHBondContact CG-OE1 3.46Å; R12-E99 IonicContact CZ-OE1 2.72Å; R12-E99 IonicContact CZ-OE2 3.54Å; R12-E99 PolarHBondContact N-OE1 3.36Å; R12-E99 IonicContact NE-OE1 3.68Å; R12-E99 PolarHBondContact NE-OE1 2.96Å; R12-E99 IonicContact NE-OE2 3.93Å; R12-E99 IonicContact NH2-OE1 3.11Å; R12-E99 PolarHBondContact NH2-OE1 2.84Å; R12-E99 IonicContact NH2-OE2 3.45Å; R12-E99 PolarHBondContact NH2-OE2 3.43Å
13	A	98.4	Very high	94.1	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	155	174.2	0	0	0	0	0	112.3	S36 I38 L92 N93 F94	A13-S36 PolarHBondContact N-O 2.96Å; A13-S36 PolarHBondContact O-N 3.47Å; A13-I38 HydrophobicContact CB-CG1 3.88Å; A13-L92 HydrophobicContact CB-CB 3.94Å; A13-L92 HydrophobicContact CB-CD2 4.22Å; A13-N93 CarbonylContact C-O 3.57Å; A13-N93 WeakPolarHBondContact CA-O 3.34Å; A13-N93 WeakPolarHBondContact CB-O 3.29Å; A13-F94 HydrophobicContact CB-CD1 3.86Å; A13-F94 HydrophobicContact CB-CE1 4.13Å; A13-F94 HydrophobicContact CB-CG 4.19Å
14	S	97.7	Very high	95.6	Very high	20 Å²	20	60 Å²	60	14%	0.14	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	126.2	161.8	-177.3	0	0	0	0	109	N93	S14-N93 PolarHBondContact N-O 2.84Å; S14-N93 PolarHBondContact O-N 3.23Å
15	V	97.4	Very high	96.4	Very high	6 Å²	6	61 Å²	61	4%	0.036	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	121.7	179.7	-171.6	0	0	0	0	109.9	I28 I38 V62 I63 L92	V15-I28 HydrophobicContact CB-CG2 3.86Å; V15-I28 HydrophobicContact CG1-CB 4.11Å; V15-I28 HydrophobicContact CG1-CD1 3.9Å; V15-I28 HydrophobicContact CG1-CG2 3.88Å; V15-I28 PolarHBondContact O-N 3.34Å; V15-I28 VanDerWaalsContact O-N 3.12Å; V15-I38 HydrophobicContact CG2-CD1 3.61Å; V15-V62 HydrophobicContact CB-CG2 4.39Å; V15-V62 HydrophobicContact CG2-CG2 3.85Å; V15-I63 HydrophobicContact CG1-CB 4.16Å; V15-I63 HydrophobicContact CG1-CD1 4.24Å; V15-I63 HydrophobicContact CG1-CG2 4.1Å; V15-I63 HydrophobicContact CG2-CG2 4.03Å; V15-L92 HydrophobicContact CB-CD2 4.31Å; V15-L92 HydrophobicContact CG1-CD2 4.26Å; V15-L92 HydrophobicContact CG2-CD2 3.83Å
16	M	97.2	Very high	96.8	Very high	30 Å²	30	59.5 Å²	59.5	15%	0.148	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	152.3	-176.6	-54.4	-64.4	-71.8	0	0	110	W25 V26 P27 G91	M16-W25 HydrophobicContact CB-CE3 3.8Å; M16-W25 HydrophobicContact CB-CZ3 4.42Å; M16-W25 HydrophobicContact CE-CB 3.93Å; M16-V26 CarbonylContact C-O 3.45Å; M16-V26 WeakPolarHBondContact CA-O 3.47Å; M16-V26 VanDerWaalsContact CE-C 3.5Å; M16-P27 HydrophobicContact CE-CG 4.41Å; M16-P27 HydrophobicContact SD-CB 4.44Å; M16-P27 HydrophobicContact SD-CG 4.35Å; M16-G91 PolarHBondContact N-O 3.28Å; M16-G91 PolarHBondContact O-N 2.99Å
17	V	96.4	Very high	96.8	Very high	21 Å²	21	54.6 Å²	54.6	13%	0.127	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	142.2	168.4	-67.8	0	0	0	0	108.9	W25 V26 I28 Q88 V89 Y90	V17-W25 VanDerWaalsContact C-CE3 3.48Å; V17-V26 HydrophobicContact CG2-CG2 3.63Å; V17-V26 PolarHBondContact N-O 2.93Å; V17-V26 PolarHBondContact O-N 3.27Å; V17-I28 HydrophobicContact CG1-CB 4.12Å; V17-I28 HydrophobicContact CG1-CD1 3.84Å; V17-I28 HydrophobicContact CG1-CG1 3.82Å; V17-Q88 HydrophobicContact CG1-CG 4.25Å; V17-V89 WeakPolarHBondContact CA-O 3.45Å; V17-Y90 HydrophobicContact CG1-CD1 3.92Å; V17-Y90 HydrophobicContact CG1-CE1 4.12Å
18	Y	97.3	Very high	96.5	Very high	58 Å²	58	54.7 Å²	54.7	23%	0.227	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	120.2	172.8	-167.7	-105.7	0	0	0	109	D20 K23 W25 Q88 V89	Y18-D20 WeakPolarHBondContact CE1-OD1 3.22Å; Y18-K23 HydrophobicContact CE1-CD 4.23Å; Y18-K23 WeakPolarHBondContact CE2-O 3.45Å; Y18-K23 WeakPolarHBondContact OH-CA 3.48Å; Y18-K23 PolarHBondContact OH-O 3.46Å; Y18-K23 VanDerWaalsContact OH-O 3.09Å; Y18-W25 AromaticContact CD2-CD2 3.95Å; Y18-W25 HydrophobicContact CD2-CD2 3.95Å; Y18-W25 AromaticContact CD2-CE2 3.83Å; Y18-W25 HydrophobicContact CD2-CE3 4.48Å; Y18-W25 HydrophobicContact CD2-CG 4.17Å; Y18-W25 HydrophobicContact CD2-CZ2 4.3Å; Y18-W25 AromaticContact CD2-NE1 3.94Å; Y18-Q88 PolarHBondContact O-NE2 3.18Å; Y18-V89 PolarHBondContact N-O 2.93Å
19	D	95.4	Very high	95.9	Very high	51 Å²	51	55.1 Å²	55.1	27%	0.273	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	109.2	171.4	172.3	11.9	0	0	0	109.1	T21 S22 K23 K24 V26	D19-T21 VanDerWaalsContact C-N 3.27Å; D19-T21 PolarHBondContact O-N 3.34Å; D19-T21 WeakPolarHBondContact OD1-CA 3.49Å; D19-T21 VanDerWaalsContact OD1-CB 3.27Å; D19-T21 WeakPolarHBondContact OD1-CB 3.34Å; D19-T21 PolarHBondContact OD1-N 3.5Å; D19-T21 PolarHBondContact OD1-OG1 2.97Å; D19-S22 VanDerWaalsContact CG-OG 3.31Å; D19-S22 PolarHBondContact O-N 2.92Å; D19-S22 PolarHBondContact OD1-N 3.23Å; D19-S22 WeakPolarHBondContact OD2-CB 3.48Å; D19-S22 PolarHBondContact OD2-N 2.99Å; D19-S22 PolarHBondContact OD2-OG 2.89Å; D19-K23 WeakPolarHBondContact O-CA 3.49Å; D19-K23 PolarHBondContact O-N 3.5Å; D19-K24 PolarHBondContact N-O 3.14Å; D19-K24 PolarHBondContact O-N 3.45Å; D19-V26 HydrophobicContact CB-CG1 4.43Å; D19-V26 HydrophobicContact CB-CG2 4.25Å
20	D	94	Very high	95.1	Very high	70 Å²	70	60.5 Å²	60.5	37%	0.374	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-20	179.5	-99.2	-48.6	0	0	0	113.8	Y18 K23	Y18-D20 WeakPolarHBondContact CE1-OD1 3.22Å; D20-K23 WeakPolarHBondContact O-CD 3.49Å; D20-K23 WeakPolarHBondContact O-CE 3.49Å; D20-K23 PolarHBondContact O-NZ 3.18Å; D20-K23 IonicContact OD1-NZ 3.9Å; D20-K23 PolarHBondContact OD1-NZ 3.39Å
21	T	96	Very high	94.1	Very high	135 Å²	135	59.7 Å²	59.7	83%	0.828	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-44.2	176.6	-54.5	0	0	0	0	110.6	D19	D19-T21 VanDerWaalsContact C-N 3.27Å; D19-T21 PolarHBondContact O-N 3.34Å; D19-T21 WeakPolarHBondContact OD1-CA 3.49Å; D19-T21 VanDerWaalsContact OD1-CB 3.27Å; D19-T21 WeakPolarHBondContact OD1-CB 3.34Å; D19-T21 PolarHBondContact OD1-N 3.5Å; D19-T21 PolarHBondContact OD1-OG1 2.97Å
22	S	95.8	Very high	92.9	Very high	46 Å²	46	63.9 Å²	63.9	32%	0.322	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	7.1	-175.4	73.3	0	0	0	0	114.9	D19 K24	D19-S22 VanDerWaalsContact CG-OG 3.31Å; D19-S22 PolarHBondContact O-N 2.92Å; D19-S22 PolarHBondContact OD1-N 3.23Å; D19-S22 WeakPolarHBondContact OD2-CB 3.48Å; D19-S22 PolarHBondContact OD2-N 2.99Å; D19-S22 PolarHBondContact OD2-OG 2.89Å; S22-K24 PolarHBondContact O-N 2.98Å; S22-K24 VanDerWaalsContact O-N 3.1Å; S22-K24 VanDerWaalsContact OG-CG 3.29Å; S22-K24 WeakPolarHBondContact OG-CG 3.3Å; S22-K24 PolarHBondContact OG-NZ 2.93Å
23	K	96.1	Very high	92.1	Very high	129 Å²	129	65.2 Å²	65.2	56%	0.561	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	26.7	174.3	-60.5	-54.2	-174	-152.3	0	115.4	Y18 D19 D20	Y18-K23 HydrophobicContact CE1-CD 4.23Å; Y18-K23 WeakPolarHBondContact CE2-O 3.45Å; Y18-K23 WeakPolarHBondContact OH-CA 3.48Å; Y18-K23 PolarHBondContact OH-O 3.46Å; Y18-K23 VanDerWaalsContact OH-O 3.09Å; D19-K23 WeakPolarHBondContact O-CA 3.49Å; D19-K23 PolarHBondContact O-N 3.5Å; D20-K23 WeakPolarHBondContact O-CD 3.49Å; D20-K23 WeakPolarHBondContact O-CE 3.49Å; D20-K23 PolarHBondContact O-NZ 3.18Å; D20-K23 IonicContact OD1-NZ 3.9Å; D20-K23 PolarHBondContact OD1-NZ 3.39Å
24	K	96.1	Very high	91.8	Very high	112 Å²	112	66.4 Å²	66.4	49%	0.487	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	152.7	-179.2	58.7	170.4	-173.1	-71.1	0	112.4	D19 S22 V26	D19-K24 PolarHBondContact N-O 3.14Å; D19-K24 PolarHBondContact O-N 3.45Å; S22-K24 PolarHBondContact O-N 2.98Å; S22-K24 VanDerWaalsContact O-N 3.1Å; S22-K24 VanDerWaalsContact OG-CG 3.29Å; S22-K24 WeakPolarHBondContact OG-CG 3.3Å; S22-K24 PolarHBondContact OG-NZ 2.93Å; K24-V26 HydrophobicContact CD-CG1 4.16Å; K24-V26 HydrophobicContact CG-CG1 4.01Å
25	W	96.6	Very high	91.7	Very high	76 Å²	76	70.2 Å²	70.2	29%	0.288	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	125.4	165.3	-69.9	102.8	0	0	0	109.7	M16 V17 Y18 F80 Q82 V89	M16-W25 HydrophobicContact CB-CE3 3.8Å; M16-W25 HydrophobicContact CB-CZ3 4.42Å; M16-W25 HydrophobicContact CE-CB 3.93Å; V17-W25 VanDerWaalsContact C-CE3 3.48Å; Y18-W25 AromaticContact CD2-CD2 3.95Å; Y18-W25 HydrophobicContact CD2-CD2 3.95Å; Y18-W25 AromaticContact CD2-CE2 3.83Å; Y18-W25 HydrophobicContact CD2-CE3 4.48Å; Y18-W25 HydrophobicContact CD2-CG 4.17Å; Y18-W25 HydrophobicContact CD2-CZ2 4.3Å; Y18-W25 AromaticContact CD2-NE1 3.94Å; W25-F80 HydrophobicContact CD2-CE1 4.41Å; W25-F80 AromaticContact CD2-CZ 3.73Å; W25-F80 HydrophobicContact CD2-CZ 3.73Å; W25-F80 AromaticContact CE2-CE1 3.73Å; W25-F80 AromaticContact CE2-CZ 3.52Å; W25-F80 HydrophobicContact CE3-CZ 4.03Å; W25-F80 HydrophobicContact CG-CZ 4.32Å; W25-F80 HydrophobicContact CH2-CE1 4.25Å; W25-F80 AromaticContact CH2-CZ 3.9Å; W25-F80 HydrophobicContact CH2-CZ 3.9Å; W25-F80 AromaticContact CZ2-CE1 3.65Å; W25-F80 HydrophobicContact CZ2-CE1 3.65Å; W25-F80 AromaticContact CZ2-CZ 3.62Å; W25-F80 HydrophobicContact CZ2-CZ 3.62Å; W25-F80 HydrophobicContact CZ3-CZ 4.11Å; W25-F80 AromaticContact NE1-CE1 3.96Å; W25-F80 AromaticContact NE1-CZ 3.98Å; W25-Q82 HydrophobicContact CH2-CB 4Å; W25-Q82 HydrophobicContact CZ2-CB 4.36Å; W25-V89 HydrophobicContact CH2-CB 4.23Å; W25-V89 HydrophobicContact CH2-CG1 3.72Å; W25-V89 HydrophobicContact CZ2-CG1 4.47Å; W25-V89 HydrophobicContact CZ3-CG1 4.5Å
26	V	95.8	Very high	91.8	Very high	37 Å²	37	70 Å²	70	22%	0.224	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	150.4	174.1	-60	0	0	0	0	109.9	M16 V17 D19 K24	M16-V26 CarbonylContact C-O 3.45Å; M16-V26 WeakPolarHBondContact CA-O 3.47Å; M16-V26 VanDerWaalsContact CE-C 3.5Å; V17-V26 HydrophobicContact CG2-CG2 3.63Å; V17-V26 PolarHBondContact N-O 2.93Å; V17-V26 PolarHBondContact O-N 3.27Å; D19-V26 HydrophobicContact CB-CG1 4.43Å; D19-V26 HydrophobicContact CB-CG2 4.25Å; K24-V26 HydrophobicContact CD-CG1 4.16Å; K24-V26 HydrophobicContact CG-CG1 4.01Å
27	P	94.6	Very high	91.8	Very high	26 Å²	26	74.3 Å²	74.3	17%	0.169	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	142.7	171.4	-21.3	33.2	0	0	0	110.3	M16 K29 Q33	M16-P27 HydrophobicContact CE-CG 4.41Å; M16-P27 HydrophobicContact SD-CB 4.44Å; M16-P27 HydrophobicContact SD-CG 4.35Å; P27-K29 PolarHBondContact O-N 2.99Å; P27-Q33 HydrophobicContact CB-CG 4.44Å; P27-Q33 HydrophobicContact CG-CG 3.68Å
28	I	91.4	Very high	91.9	Very high	47 Å²	47	73.3 Å²	73.3	24%	0.241	39%	0.39	C	S	.	.	S	Bend	trans	-60	-18.6	-177.4	-167.6	156.6	0	0	0	114	V15 V17 V62 I63 Y90	V15-I28 HydrophobicContact CB-CG2 3.86Å; V15-I28 HydrophobicContact CG1-CB 4.11Å; V15-I28 HydrophobicContact CG1-CD1 3.9Å; V15-I28 HydrophobicContact CG1-CG2 3.88Å; V15-I28 PolarHBondContact O-N 3.34Å; V15-I28 VanDerWaalsContact O-N 3.12Å; V17-I28 HydrophobicContact CG1-CB 4.12Å; V17-I28 HydrophobicContact CG1-CD1 3.84Å; V17-I28 HydrophobicContact CG1-CG1 3.82Å; I28-V62 VanDerWaalsContact CD1-O 3.31Å; I28-V62 WeakPolarHBondContact CD1-O 3.24Å; I28-V62 HydrophobicContact CG2-CB 3.93Å; I28-I63 HydrophobicContact CD1-CB 4.32Å; I28-Y90 HydrophobicContact CD1-CD1 4.3Å; I28-Y90 HydrophobicContact CD1-CE1 4.13Å
29	K	84.1	Confident	92	Very high	65 Å²	65	71.3 Å²	71.3	28%	0.283	38%	0.383	S	S	.	.	S	Bend	trans	-129.1	124.3	168.9	-66.3	-176.7	-170.2	177.9	0	110.1	P27 Q32 Q60 V61 V62	P27-K29 PolarHBondContact O-N 2.99Å; K29-Q32 HydrophobicContact CB-CB 4.1Å; K29-Q32 PolarHBondContact O-N 2.93Å; K29-Q60 VanDerWaalsContact NZ-CD 3.26Å; K29-V61 PolarHBondContact NZ-O 3.41Å; K29-V62 HydrophobicContact CD-CG1 4.35Å
30	P	81.3	Confident	92.1	Very high	125 Å²	125	68.9 Å²	68.9	81%	0.812	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	142.1	176.8	-26.4	34.9	0	0	0	112.4	Q32	P30-Q32 PolarHBondContact O-N 3.18Å
31	G	77.3	Confident	92.3	Very high	82 Å²	82	68.3 Å²	68.3	85%	0.845	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	-9.4	-179.3	0	0	0	0	0	115.9
32	Q	72.8	Confident	92.4	Very high	90 Å²	90	63.3 Å²	63.3	42%	0.421	33%	0.331	S	S	.	.			trans	-110.1	62.5	-173.4	-70.5	-66.6	-15.5	0	0	112.2	K29 P30 K55	K29-Q32 HydrophobicContact CB-CB 4.1Å; K29-Q32 PolarHBondContact O-N 2.93Å; P30-Q32 PolarHBondContact O-N 3.18Å; Q32-K55 WeakPolarHBondContact O-CE 3.14Å
33	Q	82.8	Confident	92.4	Very high	144 Å²	144	62.4 Å²	62.4	67%	0.673	32%	0.322	S	S	*	.			trans	-70.1	153.3	168.8	-69.5	-171.6	-13.4	0	0	111.4	P27 K55	P27-Q33 HydrophobicContact CB-CG 4.44Å; P27-Q33 HydrophobicContact CG-CG 3.68Å; Q33-K55 PolarHBondContact O-NZ 3.12Å
34	G	91.7	Very high	92.2	Very high	25 Å²	25	60.4 Å²	60.4	26%	0.258	32%	0.321	S	S	.	.	S	Bend	trans	140.9	167.5	176.2	0	0	0	0	0	113.8
35	F	96.5	Very high	92	Very high	99 Å²	99	59.2 Å²	59.2	43%	0.434	33%	0.332	S	S	.	.			trans	-76.1	142.9	177.3	-69.6	-71	0	0	0	112.3	L56 A95	F35-L56 HydrophobicContact CB-CD1 3.92Å; F35-L56 WeakPolarHBondContact O-CG 3.24Å; F35-L56 PolarHBondContact O-N 2.8Å; F35-L56 VanDerWaalsContact O-N 3.14Å; F35-A95 HydrophobicContact CD1-CB 3.99Å; F35-A95 HydrophobicContact CE1-CB 3.6Å; F35-A95 HydrophobicContact CZ-CB 3.97Å
36	S	98	Very high	91.8	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.021	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	144.5	170.3	-56.5	0	0	0	0	109.3	R12 A13 I38 V54 K55 V62	R12-S36 WeakPolarHBondContact CA-O 3.35Å; A13-S36 PolarHBondContact N-O 2.96Å; A13-S36 PolarHBondContact O-N 3.47Å; S36-I38 PolarHBondContact O-N 3.02Å; S36-V54 CarbonylContact C-O 3.48Å; S36-V54 VanDerWaalsContact CA-O 3.24Å; S36-V54 WeakPolarHBondContact CA-O 3.33Å; S36-V54 WeakPolarHBondContact CB-O 3.34Å; S36-K55 WeakPolarHBondContact OG-CA 3.39Å; S36-V62 WeakPolarHBondContact OG-CG2 3.46Å
37	R	98.4	Very high	91.6	Very high	120 Å²	120	59 Å²	59	45%	0.453	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	114.1	164.8	176.5	-178.6	-80.3	143.8	0.1	107.3	Q10 G53 V54 L56	Q10-R37 HydrophobicContact CG-CG 3.86Å; R37-G53 WeakPolarHBondContact O-CA 3.32Å; R37-V54 PolarHBondContact N-O 3.34Å; R37-V54 PolarHBondContact O-N 3.07Å; R37-L56 HydrophobicContact CB-CD2 3.92Å
38	I	98.6	Very high	91.7	Very high	0 Å²	0	61 Å²	61	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.4	176.3	-43.2	-55.7	0	0	0	108.2	Q10 A11 A13 V15 S36 V51 V52 L92 F103	Q10-I38 CarbonylContact C-O 3.54Å; Q10-I38 WeakPolarHBondContact CA-O 3.21Å; A11-I38 PolarHBondContact N-O 3.2Å; A11-I38 PolarHBondContact O-N 3.23Å; A13-I38 HydrophobicContact CB-CG1 3.88Å; V15-I38 HydrophobicContact CG2-CD1 3.61Å; S36-I38 PolarHBondContact O-N 3.02Å; I38-V51 HydrophobicContact CG2-CG1 3.55Å; I38-V52 WeakPolarHBondContact CA-O 3.31Å; I38-L92 HydrophobicContact CD1-CD2 4.23Å; I38-L92 HydrophobicContact CG1-CD1 4.47Å; I38-L92 HydrophobicContact CG1-CD2 4.3Å; I38-L92 HydrophobicContact CG2-CD1 4.13Å; I38-F103 HydrophobicContact CB-CE2 4.44Å; I38-F103 HydrophobicContact CG2-CD2 4.19Å; I38-F103 HydrophobicContact CG2-CE2 3.53Å; I38-F103 HydrophobicContact CG2-CZ 4.26Å
39	N	98.6	Very high	92	Very high	15 Å²	15	58.8 Å²	58.8	8%	0.08	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	147.5	171.1	-70.2	-8.6	0	0	0	109	S7 C9 Q10 Y41 V52	S7-N39 WeakPolarHBondContact OG-CB 3.39Å; C9-N39 WeakPolarHBondContact O-CA 3.44Å; Q10-N39 WeakPolarHBondContact CB-OD1 3.44Å; Q10-N39 VanDerWaalsContact CG-OD1 3.24Å; Q10-N39 WeakPolarHBondContact CG-OD1 3.47Å; Q10-N39 PolarHBondContact NE2-OD1 3.08Å; Q10-N39 VanDerWaalsContact NE2-OD1 3.13Å; N39-Y41 HydrophobicContact CB-CD2 3.95Å; N39-Y41 HydrophobicContact CB-CE2 3.47Å; N39-Y41 VanDerWaalsContact CB-CE2 3.47Å; N39-Y41 PolarHBondContact ND2-OH 3.01Å; N39-V52 PolarHBondContact N-O 3.15Å; N39-V52 PolarHBondContact O-N 3.27Å
40	I	98.6	Very high	92.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	123.9	157.5	-58.9	177.4	0	0	0	106.9	S7 I8 C9 F49 R50 V51 I67 F103 A106 M107	S7-I40 CarbonylContact C-O 3.6Å; S7-I40 WeakPolarHBondContact CA-O 3.42Å; I8-I40 HydrophobicContact CD1-CB 4.32Å; I8-I40 HydrophobicContact CD1-CG2 3.83Å; I8-I40 HydrophobicContact CG1-CB 3.89Å; I8-I40 HydrophobicContact CG1-CG2 3.82Å; I8-I40 WeakPolarHBondContact CG1-O 3.26Å; I8-I40 PolarHBondContact N-O 3.22Å; C9-I40 PolarHBondContact O-N 3.46Å; C9-I40 VanDerWaalsContact SG-CG1 3.56Å; I40-F49 HydrophobicContact CG2-CD1 4.46Å; I40-R50 CarbonylContact C-O 3.55Å; I40-R50 WeakPolarHBondContact CA-O 3.41Å; I40-V51 HydrophobicContact CG1-CG2 4.38Å; I40-I67 HydrophobicContact CG2-CD1 4.02Å; I40-F103 HydrophobicContact CD1-CD2 4.15Å; I40-F103 HydrophobicContact CD1-CE1 4.45Å; I40-F103 HydrophobicContact CD1-CE2 3.73Å; I40-F103 HydrophobicContact CD1-CZ 3.91Å; I40-F103 HydrophobicContact CG1-CD2 4.19Å; I40-F103 HydrophobicContact CG1-CE2 3.57Å; I40-F103 HydrophobicContact CG1-CZ 4.07Å; I40-A106 HydrophobicContact CD1-CB 4.12Å; I40-M107 HydrophobicContact CD1-CB 3.91Å
41	Y	98.4	Very high	93.5	Very high	59 Å²	59	52.8 Å²	52.8	23%	0.231	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	137.4	173.4	-72.6	-89.1	0	0	0	110.1	E5 Q6 N39 F49 R50 V52	E5-Y41 HydrophobicContact CB-CD1 4.25Å; Q6-Y41 CarbonylContact O-C 3.57Å; Q6-Y41 VanDerWaalsContact O-CA 3.3Å; Q6-Y41 WeakPolarHBondContact O-CA 3.27Å; N39-Y41 HydrophobicContact CB-CD2 3.95Å; N39-Y41 HydrophobicContact CB-CE2 3.47Å; N39-Y41 VanDerWaalsContact CB-CE2 3.47Å; N39-Y41 PolarHBondContact ND2-OH 3.01Å; Y41-F49 CarbonylContact O-C 3.55Å; Y41-F49 VanDerWaalsContact O-CA 3.25Å; Y41-F49 WeakPolarHBondContact O-CA 3.26Å; Y41-R50 PolarHBondContact N-O 3.45Å; Y41-R50 PolarHBondContact O-N 3Å; Y41-V52 HydrophobicContact CD2-CB 4.06Å; Y41-V52 HydrophobicContact CD2-CG2 3.77Å; Y41-V52 HydrophobicContact CE2-CB 4Å; Y41-V52 HydrophobicContact CE2-CG2 4.12Å
42	H	97.5	Very high	94.5	Very high	30 Å²	30	49.5 Å²	49.5	14%	0.139	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.1	166.1	-179	-150	0	0	0	108.4	E5 Q6 I8 N47 F49	E5-H42 WeakPolarHBondContact CA-O 3.22Å; Q6-H42 PolarHBondContact N-O 3.48Å; Q6-H42 PolarHBondContact O-N 3.46Å; I8-H42 HydrophobicContact CG2-CB 3.82Å; H42-N47 PolarHBondContact NE2-OD1 3.32Å; H42-F49 HydrophobicContact CB-CD1 3.71Å; H42-F49 HydrophobicContact CB-CE1 3.54Å; H42-F49 HydrophobicContact CB-CZ 4.36Å; H42-F49 AromaticContact CD2-CD1 3.79Å; H42-F49 AromaticContact CD2-CE1 3.34Å; H42-F49 WeakPolarHBondContact CD2-CE1 3.45Å; H42-F49 AromaticContact CD2-CE2 3.65Å; H42-F49 AromaticContact CD2-CZ 3.25Å; H42-F49 WeakPolarHBondContact CD2-CZ 3.49Å; H42-F49 AromaticContact CE1-CZ 4Å; H42-F49 AromaticContact CG-CD1 3.95Å; H42-F49 AromaticContact CG-CE1 3.41Å; H42-F49 VanDerWaalsContact CG-CE1 3.41Å; H42-F49 AromaticContact CG-CZ 3.73Å; H42-F49 AromaticContact NE2-CE1 3.98Å; H42-F49 AromaticContact NE2-CE2 3.84Å; H42-F49 AromaticContact NE2-CZ 3.45Å; H42-F49 WeakPolarHBondContact NE2-CZ 3.39Å
43	N	95.9	Very high	95.7	Very high	27 Å²	27	45.2 Å²	45.2	14%	0.144	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	108.2	166.3	-176.2	-32	0	0	0	107.8	S4 E5 A45 S46 N47 T48	S4-N43 WeakPolarHBondContact O-CA 3.4Å; E5-N43 HydrophobicContact CG-CB 4.32Å; N43-A45 VanDerWaalsContact C-N 3.31Å; N43-A45 PolarHBondContact O-N 3.18Å; N43-A45 PolarHBondContact OD1-N 2.94Å; N43-A45 VanDerWaalsContact OD1-N 3.09Å; N43-S46 WeakPolarHBondContact CB-OG 3.48Å; N43-S46 PolarHBondContact ND2-OG 2.92Å; N43-S46 PolarHBondContact OD1-N 3.46Å; N43-S46 PolarHBondContact OD1-OG 3.32Å; N43-N47 CarbonylContact O-C 3.56Å; N43-N47 WeakPolarHBondContact O-CA 3.29Å; N43-N47 PolarHBondContact O-N 3.47Å; N43-T48 PolarHBondContact N-O 3.02Å; N43-T48 PolarHBondContact O-N 3.05Å
44	T	92.3	Very high	96.4	Very high	87 Å²	87	40.4 Å²	40.4	53%	0.534	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-27.3	-175.6	51.3	0	0	0	0	112.9	S4	S4-T44 PolarHBondContact O-N 3.26Å
45	A	91.8	Very high	96.5	Very high	87 Å²	87	39.4 Å²	39.4	72%	0.719	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-35.1	-178.8	0	0	0	0	0	112.9	N43	N43-A45 VanDerWaalsContact C-N 3.31Å; N43-A45 PolarHBondContact O-N 3.18Å; N43-A45 PolarHBondContact OD1-N 2.94Å; N43-A45 VanDerWaalsContact OD1-N 3.09Å
46	S	91.6	Very high	96.4	Very high	62 Å²	62	38.7 Å²	38.7	43%	0.434	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-2.9	174.4	53.7	0	0	0	0	113.9	N43 T48	N43-S46 WeakPolarHBondContact CB-OG 3.48Å; N43-S46 PolarHBondContact ND2-OG 2.92Å; N43-S46 PolarHBondContact OD1-N 3.46Å; N43-S46 PolarHBondContact OD1-OG 3.32Å; S46-T48 PolarHBondContact O-N 3.43Å; S46-T48 PolarHBondContact OG-OG1 3Å
47	N	92.2	Very high	96.1	Very high	46 Å²	46	45.1 Å²	45.1	25%	0.246	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	38.9	-168.4	-163.8	42.1	0	0	0	114.3	H42 N43 Q117	H42-N47 PolarHBondContact NE2-OD1 3.32Å; N43-N47 CarbonylContact O-C 3.56Å; N43-N47 WeakPolarHBondContact O-CA 3.29Å; N43-N47 PolarHBondContact O-N 3.47Å; N47-Q117 PolarHBondContact ND2-OE1 3.27Å
48	T	95.7	Very high	95.8	Very high	67 Å²	67	43 Å²	43	41%	0.411	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	147.7	-179.2	52.8	0	0	0	0	111.6	N43 S46	N43-T48 PolarHBondContact N-O 3.02Å; N43-T48 PolarHBondContact O-N 3.05Å; S46-T48 PolarHBondContact O-N 3.43Å; S46-T48 PolarHBondContact OG-OG1 3Å
49	F	98	Very high	95.6	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.009	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	146.1	175	-60.2	-98.2	0	0	0	111.2	I8 I40 Y41 H42 I67 F109 A110 I113 M114	I8-F49 HydrophobicContact CD1-CD1 4Å; I8-F49 HydrophobicContact CD1-CE1 3.96Å; I40-F49 HydrophobicContact CG2-CD1 4.46Å; Y41-F49 CarbonylContact O-C 3.55Å; Y41-F49 VanDerWaalsContact O-CA 3.25Å; Y41-F49 WeakPolarHBondContact O-CA 3.26Å; H42-F49 HydrophobicContact CB-CD1 3.71Å; H42-F49 HydrophobicContact CB-CE1 3.54Å; H42-F49 HydrophobicContact CB-CZ 4.36Å; H42-F49 AromaticContact CD2-CD1 3.79Å; H42-F49 AromaticContact CD2-CE1 3.34Å; H42-F49 WeakPolarHBondContact CD2-CE1 3.45Å; H42-F49 AromaticContact CD2-CE2 3.65Å; H42-F49 AromaticContact CD2-CZ 3.25Å; H42-F49 WeakPolarHBondContact CD2-CZ 3.49Å; H42-F49 AromaticContact CE1-CZ 4Å; H42-F49 AromaticContact CG-CD1 3.95Å; H42-F49 AromaticContact CG-CE1 3.41Å; H42-F49 VanDerWaalsContact CG-CE1 3.41Å; H42-F49 AromaticContact CG-CZ 3.73Å; H42-F49 AromaticContact NE2-CE1 3.98Å; H42-F49 AromaticContact NE2-CE2 3.84Å; H42-F49 AromaticContact NE2-CZ 3.45Å; H42-F49 WeakPolarHBondContact NE2-CZ 3.39Å; F49-I67 HydrophobicContact CB-CB 4.14Å; F49-I67 HydrophobicContact CB-CD1 3.94Å; F49-I67 HydrophobicContact CB-CG1 4.45Å; F49-I67 PolarHBondContact O-N 2.99Å; F49-F109 HydrophobicContact CE1-CE1 4.45Å; F49-A110 HydrophobicContact CB-CB 4.02Å; F49-A110 HydrophobicContact CD1-CB 3.56Å; F49-A110 HydrophobicContact CD2-CB 4.07Å; F49-A110 HydrophobicContact CE1-CB 3.96Å; F49-A110 HydrophobicContact CE2-CB 4.45Å; F49-A110 HydrophobicContact CG-CB 3.62Å; F49-A110 HydrophobicContact CZ-CB 4.39Å; F49-I113 HydrophobicContact CE2-CB 4.05Å; F49-I113 HydrophobicContact CE2-CD1 4.45Å; F49-I113 HydrophobicContact CE2-CG2 3.81Å; F49-I113 HydrophobicContact CZ-CB 4.24Å; F49-I113 HydrophobicContact CZ-CD1 3.79Å; F49-I113 HydrophobicContact CZ-CG2 4.17Å; F49-M114 HydrophobicContact CD2-CG 3.87Å; F49-M114 HydrophobicContact CD2-SD 3.86Å; F49-M114 HydrophobicContact CE2-CG 4.36Å; F49-M114 HydrophobicContact CE2-SD 4.37Å
50	R	98	Very high	95.4	Very high	63 Å²	63	53.9 Å²	53.9	24%	0.238	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	143.2	174.2	66.3	174	-155.7	-147.6	-7.3	112.7	E5 I40 Y41 V52 Y65	E5-R50 VanDerWaalsContact CD-CZ 3.49Å; E5-R50 IonicContact OE1-CZ 2.7Å; E5-R50 IonicContact OE1-NE 2.7Å; E5-R50 IonicContact OE1-NH1 2.76Å; E5-R50 PolarHBondContact OE1-NH1 3.21Å; E5-R50 IonicContact OE1-NH2 2.68Å; E5-R50 IonicContact OE2-CZ 3.32Å; E5-R50 IonicContact OE2-NH1 2.87Å; E5-R50 PolarHBondContact OE2-NH1 2.99Å; E5-R50 IonicContact OE2-NH2 2.85Å; E5-R50 PolarHBondContact OE2-NH2 3.18Å; I40-R50 CarbonylContact C-O 3.55Å; I40-R50 WeakPolarHBondContact CA-O 3.41Å; Y41-R50 PolarHBondContact N-O 3.45Å; Y41-R50 PolarHBondContact O-N 3Å; R50-V52 HydrophobicContact CG-CG2 3.99Å; R50-Y65 CarbonylContact C-O 3.59Å; R50-Y65 VanDerWaalsContact CA-O 3.22Å; R50-Y65 WeakPolarHBondContact CA-O 3.35Å; R50-Y65 WeakPolarHBondContact CB-O 3.41Å
51	V	98.4	Very high	95.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	121.5	168.3	-173.3	0	0	0	0	108.4	I38 I40 N64 Y65 I67 W83 F103 M107	I38-V51 HydrophobicContact CG2-CG1 3.55Å; I40-V51 HydrophobicContact CG1-CG2 4.38Å; V51-N64 WeakPolarHBondContact O-CA 3.42Å; V51-Y65 PolarHBondContact N-O 3.49Å; V51-Y65 PolarHBondContact O-N 3.31Å; V51-I67 HydrophobicContact CG2-CD1 3.86Å; V51-I67 HydrophobicContact CG2-CG1 3.95Å; V51-W83 HydrophobicContact CG1-CH2 4.27Å; V51-W83 HydrophobicContact CG1-CZ2 4.5Å; V51-W83 HydrophobicContact CG2-CZ2 4.42Å; V51-F103 HydrophobicContact CG1-CE2 4.18Å; V51-F103 HydrophobicContact CG1-CZ 4.02Å; V51-F103 HydrophobicContact CG2-CZ 4.21Å; V51-M107 HydrophobicContact CG2-CE 3.67Å
52	V	98.3	Very high	95.2	Very high	13 Å²	13	55.3 Å²	55.3	8%	0.079	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.8	174	-175.8	0	0	0	0	109.3	I38 N39 Y41 R50 V54 V61 I63	I38-V52 WeakPolarHBondContact CA-O 3.31Å; N39-V52 PolarHBondContact N-O 3.15Å; N39-V52 PolarHBondContact O-N 3.27Å; Y41-V52 HydrophobicContact CD2-CB 4.06Å; Y41-V52 HydrophobicContact CD2-CG2 3.77Å; Y41-V52 HydrophobicContact CE2-CB 4Å; Y41-V52 HydrophobicContact CE2-CG2 4.12Å; R50-V52 HydrophobicContact CG-CG2 3.99Å; V52-V54 HydrophobicContact CG1-CG2 4.14Å; V52-V61 HydrophobicContact CG1-CG1 4.47Å; V52-I63 WeakPolarHBondContact CA-O 3.31Å
53	G	97.9	Very high	95.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.4	173.5	0	0	0	0	0	110.9	R37 V62 I63	R37-G53 WeakPolarHBondContact O-CA 3.32Å; G53-V62 VanDerWaalsContact O-CG2 3.29Å; G53-V62 WeakPolarHBondContact O-CG2 3.42Å; G53-V62 PolarHBondContact O-N 3.09Å; G53-I63 PolarHBondContact N-O 3.2Å; G53-I63 PolarHBondContact O-N 3.44Å
54	V	97.3	Very high	95.2	Very high	44 Å²	44	57.8 Å²	57.8	27%	0.267	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122.5	176.8	-176.6	0	0	0	0	108.8	S36 R37 V52 Q59 Q60 V61	S36-V54 CarbonylContact C-O 3.48Å; S36-V54 VanDerWaalsContact CA-O 3.24Å; S36-V54 WeakPolarHBondContact CA-O 3.33Å; S36-V54 WeakPolarHBondContact CB-O 3.34Å; R37-V54 PolarHBondContact N-O 3.34Å; R37-V54 PolarHBondContact O-N 3.07Å; V52-V54 HydrophobicContact CG1-CG2 4.14Å; V54-Q59 HydrophobicContact CG1-CB 4.3Å; V54-Q59 WeakPolarHBondContact CG1-O 3.25Å; V54-Q60 WeakPolarHBondContact CA-O 3.3Å; V54-V61 HydrophobicContact CG2-CG2 4.41Å
55	K	94.9	Very high	95.4	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.017	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	136.4	-177.2	-165.3	-178.9	-153.3	-127.9	0	110.6	Q32 Q33 S36 Q57 D58 Q59 Q60 V62	Q32-K55 WeakPolarHBondContact O-CE 3.14Å; Q33-K55 PolarHBondContact O-NZ 3.12Å; S36-K55 WeakPolarHBondContact OG-CA 3.39Å; K55-Q57 VanDerWaalsContact C-N 3.26Å; K55-Q57 PolarHBondContact O-N 3.35Å; K55-D58 WeakPolarHBondContact CB-OD1 3.45Å; K55-Q59 VanDerWaalsContact O-CA 3.25Å; K55-Q59 WeakPolarHBondContact O-CA 3.34Å; K55-Q59 PolarHBondContact O-N 2.67Å; K55-Q59 VanDerWaalsContact O-N 3.1Å; K55-Q60 PolarHBondContact N-O 2.69Å; K55-V62 HydrophobicContact CB-CG1 4.01Å
56	L	93.7	Very high	95.7	Very high	84 Å²	84	54.5 Å²	54.5	44%	0.44	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-15.4	-172.5	-68.8	175.2	0	0	0	114.5	R12 F35 R37	R12-L56 HydrophobicContact CG-CD1 4.46Å; F35-L56 HydrophobicContact CB-CD1 3.92Å; F35-L56 WeakPolarHBondContact O-CG 3.24Å; F35-L56 PolarHBondContact O-N 2.8Å; F35-L56 VanDerWaalsContact O-N 3.14Å; R37-L56 HydrophobicContact CB-CD2 3.92Å
57	Q	91.4	Very high	95.9	Very high	138 Å²	138	51.8 Å²	51.8	65%	0.645	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-42.3	-171.8	-71.3	164.4	-25.2	0	0	113.2	K55	K55-Q57 VanDerWaalsContact C-N 3.26Å; K55-Q57 PolarHBondContact O-N 3.35Å
58	D	92.8	Very high	96.1	Very high	74 Å²	74	53.1 Å²	53.1	40%	0.396	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	4.5	-172.4	59.2	-1.6	0	0	0	112.6	K55 Q60	K55-D58 WeakPolarHBondContact CB-OD1 3.45Å; D58-Q60 PolarHBondContact O-N 3.03Å; D58-Q60 VanDerWaalsContact O-N 3.13Å; D58-Q60 VanDerWaalsContact OD1-CB 3.29Å; D58-Q60 WeakPolarHBondContact OD1-CB 3.25Å; D58-Q60 PolarHBondContact OD1-N 3.46Å; D58-Q60 VanDerWaalsContact OD1-N 3.11Å
59	Q	94.8	Very high	95.9	Very high	165 Å²	165	54.2 Å²	54.2	77%	0.771	28%	0.28	S	S	*	.			trans	55.2	23.2	-174.5	-58.3	-173.7	94.7	0	0	114	V54 K55	V54-Q59 HydrophobicContact CG1-CB 4.3Å; V54-Q59 WeakPolarHBondContact CG1-O 3.25Å; K55-Q59 VanDerWaalsContact O-CA 3.25Å; K55-Q59 WeakPolarHBondContact O-CA 3.34Å; K55-Q59 PolarHBondContact O-N 2.67Å; K55-Q59 VanDerWaalsContact O-N 3.1Å
60	Q	94.2	Very high	95.7	Very high	79 Å²	79	56.5 Å²	56.5	37%	0.369	31%	0.305	S	S	.	.			trans	-77	133.3	-178.4	-166.1	-174.1	79	0	0	111.2	K29 V54 K55 D58 V62	K29-Q60 VanDerWaalsContact NZ-CD 3.26Å; V54-Q60 WeakPolarHBondContact CA-O 3.3Å; K55-Q60 PolarHBondContact N-O 2.69Å; D58-Q60 PolarHBondContact O-N 3.03Å; D58-Q60 VanDerWaalsContact O-N 3.13Å; D58-Q60 VanDerWaalsContact OD1-CB 3.29Å; D58-Q60 WeakPolarHBondContact OD1-CB 3.25Å; D58-Q60 PolarHBondContact OD1-N 3.46Å; D58-Q60 VanDerWaalsContact OD1-N 3.11Å; Q60-V62 PolarHBondContact O-N 3.27Å
61	V	96.2	Very high	95.6	Very high	76 Å²	76	54.2 Å²	54.2	46%	0.461	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	119.4	168.9	-176.3	0	0	0	0	108.9	K29 V52 V54 N64	K29-V61 PolarHBondContact NZ-O 3.41Å; V52-V61 HydrophobicContact CG1-CG1 4.47Å; V54-V61 HydrophobicContact CG2-CG2 4.41Å; V61-N64 HydrophobicContact CG1-CB 4.21Å
62	V	95.6	Very high	95.5	Very high	14 Å²	14	62.4 Å²	62.4	9%	0.085	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-24.1	179.8	-68.7	0	0	0	0	112.9	V15 I28 K29 S36 G53 K55 Q60	V15-V62 HydrophobicContact CB-CG2 4.39Å; V15-V62 HydrophobicContact CG2-CG2 3.85Å; I28-V62 VanDerWaalsContact CD1-O 3.31Å; I28-V62 WeakPolarHBondContact CD1-O 3.24Å; I28-V62 HydrophobicContact CG2-CB 3.93Å; K29-V62 HydrophobicContact CD-CG1 4.35Å; S36-V62 WeakPolarHBondContact OG-CG2 3.46Å; G53-V62 VanDerWaalsContact O-CG2 3.29Å; G53-V62 WeakPolarHBondContact O-CG2 3.42Å; G53-V62 PolarHBondContact O-N 3.09Å; K55-V62 HydrophobicContact CB-CG1 4.01Å; Q60-V62 PolarHBondContact O-N 3.27Å
63	I	96.1	Very high	95.5	Very high	9 Å²	9	63.3 Å²	63.3	5%	0.046	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	138.9	170.7	-173.5	169	0	0	0	109.7	V15 I28 V52 G53 W83 Y90	V15-I63 HydrophobicContact CG1-CB 4.16Å; V15-I63 HydrophobicContact CG1-CD1 4.24Å; V15-I63 HydrophobicContact CG1-CG2 4.1Å; V15-I63 HydrophobicContact CG2-CG2 4.03Å; I28-I63 HydrophobicContact CD1-CB 4.32Å; V52-I63 WeakPolarHBondContact CA-O 3.31Å; G53-I63 PolarHBondContact N-O 3.2Å; G53-I63 PolarHBondContact O-N 3.44Å; I63-W83 HydrophobicContact CD1-CZ2 3.87Å; I63-Y90 HydrophobicContact CD1-CD1 3.68Å; I63-Y90 HydrophobicContact CD1-CE1 4.06Å; I63-Y90 HydrophobicContact CD1-CG 4.17Å
64	N	97.2	Very high	95.5	Very high	100 Å²	100	67.2 Å²	67.2	54%	0.535	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	98.1	168.2	-176.1	6.4	0	0	0	106.6	V51 V61	V51-N64 WeakPolarHBondContact O-CA 3.42Å; V61-N64 HydrophobicContact CG1-CB 4.21Å
65	Y	97.7	Very high	95.6	Very high	23 Å²	23	69.5 Å²	69.5	9%	0.09	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	117.4	-167.4	179.5	-91	0	0	0	110.7	R50 V51 I67 L71 W83 D85 Y90	R50-Y65 CarbonylContact C-O 3.59Å; R50-Y65 VanDerWaalsContact CA-O 3.22Å; R50-Y65 WeakPolarHBondContact CA-O 3.35Å; R50-Y65 WeakPolarHBondContact CB-O 3.41Å; V51-Y65 PolarHBondContact N-O 3.49Å; V51-Y65 PolarHBondContact O-N 3.31Å; Y65-I67 PolarHBondContact O-N 3.36Å; Y65-L71 HydrophobicContact CE1-CD1 4.35Å; Y65-L71 HydrophobicContact CE1-CD2 3.86Å; Y65-L71 WeakPolarHBondContact OH-CD1 3.49Å; Y65-W83 AromaticContact CD1-NE1 3.57Å; Y65-W83 AromaticContact CE1-CD1 3.85Å; Y65-W83 AromaticContact CE1-NE1 3.48Å; Y65-W83 AromaticContact CG-NE1 3.92Å; Y65-W83 AromaticContact CZ-CD1 3.94Å; Y65-W83 AromaticContact CZ-NE1 3.78Å; Y65-D85 HydrophobicContact CE2-CB 4.15Å; Y65-Y90 HydrophobicContact CD2-CD2 4.36Å; Y65-Y90 AromaticContact CD2-CE2 3.77Å; Y65-Y90 HydrophobicContact CD2-CE2 3.77Å; Y65-Y90 HydrophobicContact CE2-CD2 4.36Å; Y65-Y90 AromaticContact CE2-CE2 3.78Å; Y65-Y90 HydrophobicContact CE2-CE2 3.78Å
66	S	97.1	Very high	95.7	Very high	81 Å²	81	71.6 Å²	71.6	57%	0.566	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	123.4	174.3	-56.1	0	0	0	0	110.6	V68	S66-V68 PolarHBondContact O-N 2.98Å
67	I	96.8	Very high	95.9	Very high	5 Å²	5	70.6 Å²	70.6	3%	0.026	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	115.9	176.3	-61.9	172	0	0	0	107.8	I40 F49 V51 Y65 L71 M107 A110 L111	I40-I67 HydrophobicContact CG2-CD1 4.02Å; F49-I67 HydrophobicContact CB-CB 4.14Å; F49-I67 HydrophobicContact CB-CD1 3.94Å; F49-I67 HydrophobicContact CB-CG1 4.45Å; F49-I67 PolarHBondContact O-N 2.99Å; V51-I67 HydrophobicContact CG2-CD1 3.86Å; V51-I67 HydrophobicContact CG2-CG1 3.95Å; Y65-I67 PolarHBondContact O-N 3.36Å; I67-L71 HydrophobicContact CG2-CD2 4.09Å; I67-M107 HydrophobicContact CD1-CE 4.22Å; I67-M107 HydrophobicContact CD1-SD 3.69Å; I67-M107 HydrophobicContact CG1-SD 4.23Å; I67-A110 HydrophobicContact CD1-CB 4.27Å; I67-L111 HydrophobicContact CG2-CD2 3.58Å; I67-L111 HydrophobicContact CG2-CG 4.31Å
68	V	95.1	Very high	96.3	Very high	75 Å²	75	68.2 Å²	68.2	46%	0.455	38%	0.375	S	S	.	.			trans	-98.3	155	-179.8	-64.1	0	0	0	0	111.9	S66 L71	S66-V68 PolarHBondContact O-N 2.98Å; V68-L71 HydrophobicContact CG2-CB 4.22Å; V68-L71 VanDerWaalsContact O-CB 3.22Å; V68-L71 WeakPolarHBondContact O-CB 3.34Å; V68-L71 PolarHBondContact O-N 3.26Å
69	K	93.3	Very high	96.5	Very high	89 Å²	89	67 Å²	67	39%	0.387	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	140.5	171.9	-175.1	169.6	-176.8	-92.9	0	110.6	L71 M114 N115 E118	K69-L71 PolarHBondContact O-N 3.48Å; K69-M114 WeakPolarHBondContact CD-O 3.29Å; K69-M114 WeakPolarHBondContact CG-O 3.22Å; K69-N115 WeakPolarHBondContact CG-OD1 3.24Å; K69-E118 VanDerWaalsContact CE-OE1 3.29Å; K69-E118 WeakPolarHBondContact CE-OE1 3.37Å; K69-E118 IonicContact NZ-OE1 2.74Å; K69-E118 PolarHBondContact NZ-OE1 2.68Å; K69-E118 IonicContact NZ-OE2 3.22Å; K69-E118 PolarHBondContact NZ-OE2 2.92Å
70	G	92.8	Very high	96.7	Very high	51 Å²	51	60.5 Å²	60.5	53%	0.526	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	7.8	-178.6	0	0	0	0	0	115.9	K72 N115	G70-K72 PolarHBondContact O-N 3.48Å; G70-N115 PolarHBondContact N-OD1 3.28Å
71	L	96.3	Very high	96.9	Very high	15 Å²	15	56.9 Å²	56.9	8%	0.079	32%	0.323	C	S	.	.			trans	-57.6	128.8	173.2	177.4	69.2	0	0	0	110.9	Y65 I67 V68 K69 Y73 W83 R84 L111	Y65-L71 HydrophobicContact CE1-CD1 4.35Å; Y65-L71 HydrophobicContact CE1-CD2 3.86Å; Y65-L71 WeakPolarHBondContact OH-CD1 3.49Å; I67-L71 HydrophobicContact CG2-CD2 4.09Å; V68-L71 HydrophobicContact CG2-CB 4.22Å; V68-L71 VanDerWaalsContact O-CB 3.22Å; V68-L71 WeakPolarHBondContact O-CB 3.34Å; V68-L71 PolarHBondContact O-N 3.26Å; K69-L71 PolarHBondContact O-N 3.48Å; L71-Y73 PolarHBondContact O-N 2.95Å; L71-W83 HydrophobicContact CD1-CB 4.09Å; L71-W83 HydrophobicContact CD1-CG 4.3Å; L71-W83 HydrophobicContact CD2-CB 4.41Å; L71-W83 HydrophobicContact CD2-CG 4.31Å; L71-W83 HydrophobicContact CG-CB 4.28Å; L71-R84 WeakPolarHBondContact CD1-O 3.46Å; L71-L111 HydrophobicContact CB-CD2 3.73Å; L71-L111 HydrophobicContact CD2-CD2 4.21Å; L71-L111 HydrophobicContact CG-CD2 4.37Å
72	K	95.8	Very high	97	Very high	172 Å²	172	55.6 Å²	55.6	75%	0.748	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	101.2	179.7	-65.2	-173.3	179.5	-177.7	0	110.8	G70 W83	G70-K72 PolarHBondContact O-N 3.48Å; K72-W83 WeakPolarHBondContact O-CA 3.24Å; K72-W83 WeakPolarHBondContact O-CB 3.41Å
73	Y	98.3	Very high	97.2	Very high	31 Å²	31	55 Å²	55	12%	0.122	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	135.7	171.1	-177	-111.8	0	0	0	110.9	L71 Q75 H81 W83 F103 S104 M107 L108	L71-Y73 PolarHBondContact O-N 2.95Å; Y73-Q75 HydrophobicContact CD1-CG 4.41Å; Y73-Q75 HydrophobicContact CE1-CG 3.73Å; Y73-H81 HydrophobicContact CE2-CB 3.84Å; Y73-H81 AromaticContact CZ-ND1 3.86Å; Y73-H81 WeakPolarHBondContact OH-CB 3.39Å; Y73-H81 PolarHBondContact OH-ND1 2.86Å; Y73-W83 HydrophobicContact CD2-CE3 4.14Å; Y73-W83 HydrophobicContact CE2-CE3 4.22Å; Y73-F103 HydrophobicContact CE2-CE1 4.16Å; Y73-S104 WeakPolarHBondContact OH-CA 3.49Å; Y73-S104 WeakPolarHBondContact OH-CB 3.29Å; Y73-M107 HydrophobicContact CD1-CG 4.04Å; Y73-M107 HydrophobicContact CD2-CE 4.22Å; Y73-M107 HydrophobicContact CD2-CG 3.68Å; Y73-M107 HydrophobicContact CE1-CB 4.43Å; Y73-M107 HydrophobicContact CE1-CG 4.19Å; Y73-M107 HydrophobicContact CE2-CB 4.43Å; Y73-M107 HydrophobicContact CE2-CE 4.31Å; Y73-M107 HydrophobicContact CE2-CG 3.85Å; Y73-M107 HydrophobicContact CG-CG 3.76Å; Y73-L108 HydrophobicContact CD1-CD2 4.16Å; Y73-L108 HydrophobicContact CD1-CG 4.42Å
74	N	98.3	Very high	97.2	Very high	83 Å²	83	60.9 Å²	60.9	44%	0.444	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	126.8	-178.1	178	22.4	0	0	0	110.8	A76 H81 Q82	N74-A76 PolarHBondContact O-N 2.7Å; N74-H81 CarbonylContact O-C 3.57Å; N74-H81 WeakPolarHBondContact O-CA 3.25Å; N74-Q82 HydrophobicContact CB-CG 4Å; N74-Q82 PolarHBondContact N-O 2.89Å; N74-Q82 PolarHBondContact O-N 2.91Å
75	Q	98.5	Very high	96.9	Very high	92 Å²	92	58.2 Å²	58.2	43%	0.43	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	79.2	176	-62.4	-178.4	79.2	0	0	109.1	Y73 T77 H81 S104	Y73-Q75 HydrophobicContact CD1-CG 4.41Å; Y73-Q75 HydrophobicContact CE1-CG 3.73Å; Q75-T77 VanDerWaalsContact C-N 3.35Å; Q75-T77 PolarHBondContact O-N 2.87Å; Q75-H81 VanDerWaalsContact CA-CD2 3.5Å; Q75-H81 WeakPolarHBondContact CA-CD2 3.4Å; Q75-H81 PolarHBondContact OE1-CE1 3Å; Q75-H81 PolarHBondContact OE1-NE2 3.07Å; Q75-S104 VanDerWaalsContact OE1-CB 3.31Å; Q75-S104 PolarHBondContact OE1-OG 3.13Å
76	A	97.9	Very high	96.3	Very high	48 Å²	48	62.1 Å²	62.1	40%	0.397	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	-31.3	-171.3	0	0	0	0	0	113.6	N74 F80 Q82	N74-A76 PolarHBondContact O-N 2.7Å; A76-F80 HydrophobicContact CB-CD1 4.15Å; A76-F80 PolarHBondContact N-O 2.9Å; A76-Q82 HydrophobicContact CB-CG 4.46Å
77	T	98.4	Very high	95.8	Very high	63 Å²	63	69 Å²	69	39%	0.387	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	167.6	164.2	85.3	0	0	0	0	109.6	Q75 T79 F80 H81	Q75-T77 VanDerWaalsContact C-N 3.35Å; Q75-T77 PolarHBondContact O-N 2.87Å; T77-T79 PolarHBondContact O-N 2.85Å; T77-T79 PolarHBondContact OG1-N 2.87Å; T77-F80 HydrophobicContact CG2-CB 4.23Å; T77-F80 PolarHBondContact N-O 2.89Å; T77-F80 PolarHBondContact O-N 2.8Å; T77-F80 VanDerWaalsContact O-N 3.09Å; T77-F80 VanDerWaalsContact OG1-CB 3.31Å; T77-F80 WeakPolarHBondContact OG1-CB 3.38Å; T77-F80 PolarHBondContact OG1-N 3.33Å; T77-H81 PolarHBondContact O-CD2 3.47Å; T77-H81 VanDerWaalsContact O-CD2 3.23Å; T77-H81 PolarHBondContact O-NE2 3.22Å
78	P	98.6	Very high	95.7	Very high	87 Å²	87	71.4 Å²	71.4	57%	0.565	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-8.9	178.2	-24.8	35.3	0	0	0	116.3	K97 A100	P78-K97 HydrophobicContact CB-CD 4.36Å; P78-K97 HydrophobicContact CB-CG 4.17Å; P78-A100 WeakPolarHBondContact O-CB 3.39Å
79	T	98.5	Very high	95.8	Very high	48 Å²	48	68.1 Å²	68.1	29%	0.294	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	4.2	174.3	63.9	0	0	0	0	113	T77 N93 F94 K97	T77-T79 PolarHBondContact O-N 2.85Å; T77-T79 PolarHBondContact OG1-N 2.87Å; T79-N93 CarbonylContact O-C 3.56Å; T79-N93 WeakPolarHBondContact O-CA 3.35Å; T79-N93 PolarHBondContact O-OD1 3.47Å; T79-F94 WeakPolarHBondContact O-CD2 3.41Å; T79-F94 PolarHBondContact O-N 3.13Å; T79-K97 HydrophobicContact CG2-CB 4.27Å
80	F	98.7	Very high	96.1	Very high	30 Å²	30	65.7 Å²	65.7	13%	0.132	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	104.2	179.8	-172	-102.2	0	0	0	110.6	W25 A76 T77 Q82 L92 N93	W25-F80 HydrophobicContact CD2-CE1 4.41Å; W25-F80 AromaticContact CD2-CZ 3.73Å; W25-F80 HydrophobicContact CD2-CZ 3.73Å; W25-F80 AromaticContact CE2-CE1 3.73Å; W25-F80 AromaticContact CE2-CZ 3.52Å; W25-F80 HydrophobicContact CE3-CZ 4.03Å; W25-F80 HydrophobicContact CG-CZ 4.32Å; W25-F80 HydrophobicContact CH2-CE1 4.25Å; W25-F80 AromaticContact CH2-CZ 3.9Å; W25-F80 HydrophobicContact CH2-CZ 3.9Å; W25-F80 AromaticContact CZ2-CE1 3.65Å; W25-F80 HydrophobicContact CZ2-CE1 3.65Å; W25-F80 AromaticContact CZ2-CZ 3.62Å; W25-F80 HydrophobicContact CZ2-CZ 3.62Å; W25-F80 HydrophobicContact CZ3-CZ 4.11Å; W25-F80 AromaticContact NE1-CE1 3.96Å; W25-F80 AromaticContact NE1-CZ 3.98Å; A76-F80 HydrophobicContact CB-CD1 4.15Å; A76-F80 PolarHBondContact N-O 2.9Å; T77-F80 HydrophobicContact CG2-CB 4.23Å; T77-F80 PolarHBondContact N-O 2.89Å; T77-F80 PolarHBondContact O-N 2.8Å; T77-F80 VanDerWaalsContact O-N 3.09Å; T77-F80 VanDerWaalsContact OG1-CB 3.31Å; T77-F80 WeakPolarHBondContact OG1-CB 3.38Å; T77-F80 PolarHBondContact OG1-N 3.33Å; F80-Q82 HydrophobicContact CE1-CB 4.5Å; F80-L92 WeakPolarHBondContact CA-O 3.41Å; F80-N93 HydrophobicContact CD2-CB 3.88Å; F80-N93 HydrophobicContact CE2-CB 4.35Å
81	H	98.8	Very high	96.3	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.009	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	148.8	179.4	-50.3	161.3	0	0	0	110.1	Y73 N74 Q75 T77 G91 L92 F94 A100	Y73-H81 HydrophobicContact CE2-CB 3.84Å; Y73-H81 AromaticContact CZ-ND1 3.86Å; Y73-H81 WeakPolarHBondContact OH-CB 3.39Å; Y73-H81 PolarHBondContact OH-ND1 2.86Å; N74-H81 CarbonylContact O-C 3.57Å; N74-H81 WeakPolarHBondContact O-CA 3.25Å; Q75-H81 VanDerWaalsContact CA-CD2 3.5Å; Q75-H81 WeakPolarHBondContact CA-CD2 3.4Å; Q75-H81 PolarHBondContact OE1-CE1 3Å; Q75-H81 PolarHBondContact OE1-NE2 3.07Å; T77-H81 PolarHBondContact O-CD2 3.47Å; T77-H81 VanDerWaalsContact O-CD2 3.23Å; T77-H81 PolarHBondContact O-NE2 3.22Å; H81-G91 CarbonylContact O-C 3.48Å; H81-G91 WeakPolarHBondContact O-CA 3.47Å; H81-L92 PolarHBondContact N-O 2.87Å; H81-L92 VanDerWaalsContact N-O 3.12Å; H81-L92 PolarHBondContact O-N 3Å; H81-F94 HydrophobicContact CB-CE2 3.92Å; H81-F94 AromaticContact CG-CE2 3.74Å; H81-F94 AromaticContact ND1-CE2 3.45Å; H81-F94 WeakPolarHBondContact ND1-CE2 3.31Å; H81-A100 PolarHBondContact CE1-O 2.85Å; H81-A100 VanDerWaalsContact CE1-O 3.24Å
82	Q	98.5	Very high	96.4	Very high	49 Å²	49	62.6 Å²	62.6	23%	0.229	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	156.4	-174.3	61.4	176	71.6	0	0	111.9	W25 N74 A76 F80 V89 Y90	W25-Q82 HydrophobicContact CH2-CB 4Å; W25-Q82 HydrophobicContact CZ2-CB 4.36Å; N74-Q82 HydrophobicContact CB-CG 4Å; N74-Q82 PolarHBondContact N-O 2.89Å; N74-Q82 PolarHBondContact O-N 2.91Å; A76-Q82 HydrophobicContact CB-CG 4.46Å; F80-Q82 HydrophobicContact CE1-CB 4.5Å; Q82-V89 HydrophobicContact CB-CG1 4.47Å; Q82-Y90 CarbonylContact C-O 3.58Å; Q82-Y90 WeakPolarHBondContact CA-O 3.24Å; Q82-Y90 WeakPolarHBondContact CB-O 3.41Å
83	W	98.4	Very high	96.6	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.008	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	156.5	167	60.6	93.4	0	0	0	110.3	V51 I63 Y65 L71 K72 Y73 V89 Y90 L92 F103 M107	V51-W83 HydrophobicContact CG1-CH2 4.27Å; V51-W83 HydrophobicContact CG1-CZ2 4.5Å; V51-W83 HydrophobicContact CG2-CZ2 4.42Å; I63-W83 HydrophobicContact CD1-CZ2 3.87Å; Y65-W83 AromaticContact CD1-NE1 3.57Å; Y65-W83 AromaticContact CE1-CD1 3.85Å; Y65-W83 AromaticContact CE1-NE1 3.48Å; Y65-W83 AromaticContact CG-NE1 3.92Å; Y65-W83 AromaticContact CZ-CD1 3.94Å; Y65-W83 AromaticContact CZ-NE1 3.78Å; L71-W83 HydrophobicContact CD1-CB 4.09Å; L71-W83 HydrophobicContact CD1-CG 4.3Å; L71-W83 HydrophobicContact CD2-CB 4.41Å; L71-W83 HydrophobicContact CD2-CG 4.31Å; L71-W83 HydrophobicContact CG-CB 4.28Å; K72-W83 WeakPolarHBondContact O-CA 3.24Å; K72-W83 WeakPolarHBondContact O-CB 3.41Å; Y73-W83 HydrophobicContact CD2-CE3 4.14Å; Y73-W83 HydrophobicContact CE2-CE3 4.22Å; W83-V89 WeakPolarHBondContact O-CA 3.39Å; W83-V89 VanDerWaalsContact O-CG1 3.27Å; W83-V89 WeakPolarHBondContact O-CG1 3.39Å; W83-Y90 AromaticContact CD1-CD2 3.81Å; W83-Y90 HydrophobicContact CZ2-CG 4.3Å; W83-Y90 PolarHBondContact N-O 3.1Å; W83-Y90 AromaticContact NE1-CD2 3.37Å; W83-Y90 AromaticContact NE1-CG 3.84Å; W83-Y90 PolarHBondContact O-N 2.87Å; W83-L92 HydrophobicContact CH2-CD1 3.7Å; W83-L92 HydrophobicContact CH2-CD2 4.28Å; W83-L92 HydrophobicContact CH2-CG 3.75Å; W83-L92 HydrophobicContact CZ3-CD1 3.69Å; W83-L92 HydrophobicContact CZ3-CG 3.73Å; W83-F103 HydrophobicContact CZ3-CE1 4.36Å; W83-M107 HydrophobicContact CD2-CE 4.46Å; W83-M107 HydrophobicContact CE3-CE 4.18Å; W83-M107 HydrophobicContact CZ3-CE 4.25Å
84	R	95.6	Very high	96.6	Very high	132 Å²	132	56.8 Å²	56.8	50%	0.498	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132	-179.7	172.5	176.8	-72.6	-83.5	10	109.6	L71 V89	L71-R84 WeakPolarHBondContact CD1-O 3.46Å; R84-V89 HydrophobicContact CB-CG1 4.39Å; R84-V89 HydrophobicContact CB-CG2 4.35Å; R84-V89 HydrophobicContact CG-CG2 4.33Å; R84-V89 VanDerWaalsContact NH2-CG2 3.26Å
85	D	91.6	Very high	96.6	Very high	45 Å²	45	54.5 Å²	54.5	24%	0.241	29%	0.289	C	S	.	.			trans	-99.9	-170.2	162.1	78.1	26.3	0	0	0	110.9	Y65 R87 Q88 Y90	Y65-D85 HydrophobicContact CE2-CB 4.15Å; D85-R87 PolarHBondContact O-N 2.9Å; D85-R87 PolarHBondContact OD1-N 3.25Å; D85-Q88 PolarHBondContact N-O 2.83Å; D85-Q88 PolarHBondContact OD1-N 2.82Å; D85-Y90 WeakPolarHBondContact OD2-CE2 3.35Å
86	A	84.8	Confident	96.6	Very high	105 Å²	105	51.9 Å²	51.9	87%	0.868	28%	0.281	S	S	*	.	S	Bend	trans	-63.5	-17.3	-177.3	0	0	0	0	0	115.3
87	R	87.9	Confident	96.6	Very high	226 Å²	226	56.3 Å²	56.3	85%	0.853	29%	0.291	S	S	*	.	S	Bend	trans	-136.1	-24.7	-172.1	-62.4	-178.1	-178.4	-84.2	-0.4	114.1	D85	D85-R87 PolarHBondContact O-N 2.9Å; D85-R87 PolarHBondContact OD1-N 3.25Å
88	Q	94.6	Very high	96.6	Very high	55 Å²	55	60.1 Å²	60.1	26%	0.257	31%	0.305	S	S	.	.			trans	-131.9	144.7	-169.9	-170.9	54.9	73.5	0	0	111	V17 Y18 D85 Y90	V17-Q88 HydrophobicContact CG1-CG 4.25Å; Y18-Q88 PolarHBondContact O-NE2 3.18Å; D85-Q88 PolarHBondContact N-O 2.83Å; D85-Q88 PolarHBondContact OD1-N 2.82Å; Q88-Y90 HydrophobicContact CB-CE2 4.1Å; Q88-Y90 HydrophobicContact CG-CD1 4.39Å; Q88-Y90 HydrophobicContact CG-CD2 4.44Å; Q88-Y90 HydrophobicContact CG-CE1 3.96Å; Q88-Y90 HydrophobicContact CG-CE2 4.03Å
89	V	97.4	Very high	96.6	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.03	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	128.7	162	-160.3	0	0	0	0	108.7	V17 Y18 W25 Q82 W83 R84	V17-V89 WeakPolarHBondContact CA-O 3.45Å; Y18-V89 PolarHBondContact N-O 2.93Å; W25-V89 HydrophobicContact CH2-CB 4.23Å; W25-V89 HydrophobicContact CH2-CG1 3.72Å; W25-V89 HydrophobicContact CZ2-CG1 4.47Å; W25-V89 HydrophobicContact CZ3-CG1 4.5Å; Q82-V89 HydrophobicContact CB-CG1 4.47Å; W83-V89 WeakPolarHBondContact O-CA 3.39Å; W83-V89 VanDerWaalsContact O-CG1 3.27Å; W83-V89 WeakPolarHBondContact O-CG1 3.39Å; R84-V89 HydrophobicContact CB-CG1 4.39Å; R84-V89 HydrophobicContact CB-CG2 4.35Å; R84-V89 HydrophobicContact CG-CG2 4.33Å; R84-V89 VanDerWaalsContact NH2-CG2 3.26Å
90	Y	98.1	Very high	96.6	Very high	39 Å²	39	55 Å²	55	15%	0.153	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	146.5	171.8	-59.5	-83.2	0	0	0	109.7	V17 I28 I63 Y65 Q82 W83 D85 Q88	V17-Y90 HydrophobicContact CG1-CD1 3.92Å; V17-Y90 HydrophobicContact CG1-CE1 4.12Å; I28-Y90 HydrophobicContact CD1-CD1 4.3Å; I28-Y90 HydrophobicContact CD1-CE1 4.13Å; I63-Y90 HydrophobicContact CD1-CD1 3.68Å; I63-Y90 HydrophobicContact CD1-CE1 4.06Å; I63-Y90 HydrophobicContact CD1-CG 4.17Å; Y65-Y90 HydrophobicContact CD2-CD2 4.36Å; Y65-Y90 AromaticContact CD2-CE2 3.77Å; Y65-Y90 HydrophobicContact CD2-CE2 3.77Å; Y65-Y90 HydrophobicContact CE2-CD2 4.36Å; Y65-Y90 AromaticContact CE2-CE2 3.78Å; Y65-Y90 HydrophobicContact CE2-CE2 3.78Å; Q82-Y90 CarbonylContact C-O 3.58Å; Q82-Y90 WeakPolarHBondContact CA-O 3.24Å; Q82-Y90 WeakPolarHBondContact CB-O 3.41Å; W83-Y90 AromaticContact CD1-CD2 3.81Å; W83-Y90 HydrophobicContact CZ2-CG 4.3Å; W83-Y90 PolarHBondContact N-O 3.1Å; W83-Y90 AromaticContact NE1-CD2 3.37Å; W83-Y90 AromaticContact NE1-CG 3.84Å; W83-Y90 PolarHBondContact O-N 2.87Å; D85-Y90 WeakPolarHBondContact OD2-CE2 3.35Å; Q88-Y90 HydrophobicContact CB-CE2 4.1Å; Q88-Y90 HydrophobicContact CG-CD1 4.39Å; Q88-Y90 HydrophobicContact CG-CD2 4.44Å; Q88-Y90 HydrophobicContact CG-CE1 3.96Å; Q88-Y90 HydrophobicContact CG-CE2 4.03Å
91	G	98.1	Very high	96.6	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	142.1	175.2	0	0	0	0	0	110.4	M16 H81	M16-G91 PolarHBondContact N-O 3.28Å; M16-G91 PolarHBondContact O-N 2.99Å; H81-G91 CarbonylContact O-C 3.48Å; H81-G91 WeakPolarHBondContact O-CA 3.47Å
92	L	98.6	Very high	96.6	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	116	172.3	-65.9	-176.5	0	0	0	108.3	A13 V15 I38 F80 H81 W83 F94 F103	A13-L92 HydrophobicContact CB-CB 3.94Å; A13-L92 HydrophobicContact CB-CD2 4.22Å; V15-L92 HydrophobicContact CB-CD2 4.31Å; V15-L92 HydrophobicContact CG1-CD2 4.26Å; V15-L92 HydrophobicContact CG2-CD2 3.83Å; I38-L92 HydrophobicContact CD1-CD2 4.23Å; I38-L92 HydrophobicContact CG1-CD1 4.47Å; I38-L92 HydrophobicContact CG1-CD2 4.3Å; I38-L92 HydrophobicContact CG2-CD1 4.13Å; F80-L92 WeakPolarHBondContact CA-O 3.41Å; H81-L92 PolarHBondContact N-O 2.87Å; H81-L92 VanDerWaalsContact N-O 3.12Å; H81-L92 PolarHBondContact O-N 3Å; W83-L92 HydrophobicContact CH2-CD1 3.7Å; W83-L92 HydrophobicContact CH2-CD2 4.28Å; W83-L92 HydrophobicContact CH2-CG 3.75Å; W83-L92 HydrophobicContact CZ3-CD1 3.69Å; W83-L92 HydrophobicContact CZ3-CG 3.73Å; L92-F94 HydrophobicContact CB-CD2 4.24Å; L92-F94 HydrophobicContact CB-CE1 4.39Å; L92-F94 HydrophobicContact CB-CE2 3.58Å; L92-F94 HydrophobicContact CB-CZ 3.66Å; L92-F94 HydrophobicContact CD1-CE1 4.19Å; L92-F94 HydrophobicContact CD1-CE2 4.35Å; L92-F94 HydrophobicContact CD1-CZ 3.62Å; L92-F94 HydrophobicContact CG-CZ 4.32Å; L92-F94 WeakPolarHBondContact O-CD2 3.48Å; L92-F103 HydrophobicContact CD1-CD1 4.28Å; L92-F103 HydrophobicContact CD1-CE1 3.71Å; L92-F103 HydrophobicContact CD1-CE2 4.07Å; L92-F103 HydrophobicContact CD1-CZ 3.58Å
93	N	98.3	Very high	96.6	Very high	73 Å²	73	56.6 Å²	56.6	39%	0.39	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	98.7	169.5	-171.3	17.2	0	0	0	108.8	A13 S14 T79 F80	A13-N93 CarbonylContact C-O 3.57Å; A13-N93 WeakPolarHBondContact CA-O 3.34Å; A13-N93 WeakPolarHBondContact CB-O 3.29Å; S14-N93 PolarHBondContact N-O 2.84Å; S14-N93 PolarHBondContact O-N 3.23Å; T79-N93 CarbonylContact O-C 3.56Å; T79-N93 WeakPolarHBondContact O-CA 3.35Å; T79-N93 PolarHBondContact O-OD1 3.47Å; F80-N93 HydrophobicContact CD2-CB 3.88Å; F80-N93 HydrophobicContact CE2-CB 4.35Å
94	F	98.8	Very high	96.7	Very high	8 Å²	8	56.7 Å²	56.7	4%	0.035	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	148.8	-173.8	-67.9	-86.2	0	0	0	112.4	A11 R12 A13 T79 H81 L92 S96 E99 A100 F103	A11-F94 HydrophobicContact CB-CD1 4.07Å; A11-F94 HydrophobicContact CB-CE1 3.92Å; R12-F94 WeakPolarHBondContact O-CA 3.36Å; A13-F94 HydrophobicContact CB-CD1 3.86Å; A13-F94 HydrophobicContact CB-CE1 4.13Å; A13-F94 HydrophobicContact CB-CG 4.19Å; T79-F94 WeakPolarHBondContact O-CD2 3.41Å; T79-F94 PolarHBondContact O-N 3.13Å; H81-F94 HydrophobicContact CB-CE2 3.92Å; H81-F94 AromaticContact CG-CE2 3.74Å; H81-F94 AromaticContact ND1-CE2 3.45Å; H81-F94 WeakPolarHBondContact ND1-CE2 3.31Å; L92-F94 HydrophobicContact CB-CD2 4.24Å; L92-F94 HydrophobicContact CB-CE1 4.39Å; L92-F94 HydrophobicContact CB-CE2 3.58Å; L92-F94 HydrophobicContact CB-CZ 3.66Å; L92-F94 HydrophobicContact CD1-CE1 4.19Å; L92-F94 HydrophobicContact CD1-CE2 4.35Å; L92-F94 HydrophobicContact CD1-CZ 3.62Å; L92-F94 HydrophobicContact CG-CZ 4.32Å; L92-F94 WeakPolarHBondContact O-CD2 3.48Å; F94-S96 WeakPolarHBondContact CB-O 3.42Å; F94-S96 PolarHBondContact O-N 2.99Å; F94-E99 HydrophobicContact CD1-CB 4.47Å; F94-A100 HydrophobicContact CB-CB 3.79Å; F94-A100 HydrophobicContact CD1-CB 4.26Å; F94-A100 HydrophobicContact CD2-CB 3.54Å; F94-A100 HydrophobicContact CE2-CB 4.21Å; F94-A100 HydrophobicContact CG-CB 3.58Å; F94-F103 HydrophobicContact CE1-CB 3.56Å; F94-F103 HydrophobicContact CE1-CD1 4.07Å; F94-F103 HydrophobicContact CE1-CD2 4.24Å; F94-F103 AromaticContact CE1-CG 3.69Å; F94-F103 HydrophobicContact CE1-CG 3.69Å; F94-F103 HydrophobicContact CZ-CB 3.77Å; F94-F103 AromaticContact CZ-CD1 3.48Å; F94-F103 HydrophobicContact CZ-CD1 3.48Å; F94-F103 VanDerWaalsContact CZ-CD1 3.48Å; F94-F103 HydrophobicContact CZ-CD2 4.39Å; F94-F103 HydrophobicContact CZ-CE1 4.16Å; F94-F103 AromaticContact CZ-CG 3.61Å; F94-F103 HydrophobicContact CZ-CG 3.61Å
95	A	98.4	Very high	96.8	Very high	36 Å²	36	55.2 Å²	55.2	30%	0.298	29%	0.288	S	S	.	.	S	Bend	trans	-68.4	-20.7	175.9	0	0	0	0	0	113	R12 F35	R12-A95 HydrophobicContact CB-CB 3.93Å; R12-A95 PolarHBondContact O-N 3.01Å; F35-A95 HydrophobicContact CD1-CB 3.99Å; F35-A95 HydrophobicContact CE1-CB 3.6Å; F35-A95 HydrophobicContact CZ-CB 3.97Å
96	S	98.6	Very high	97.1	Very high	37 Å²	37	53.6 Å²	53.6	26%	0.259	28%	0.282	S	S	.	.			trans	-155.2	160.7	176	66.1	0	0	0	0	112	F94 E98 E99 A100	F94-S96 WeakPolarHBondContact CB-O 3.42Å; F94-S96 PolarHBondContact O-N 2.99Å; S96-E98 VanDerWaalsContact C-N 3.25Å; S96-E98 PolarHBondContact O-N 3.43Å; S96-E99 WeakPolarHBondContact CB-OE2 3.48Å; S96-E99 WeakPolarHBondContact OG-CB 3.44Å; S96-E99 VanDerWaalsContact OG-CG 3.29Å; S96-E99 WeakPolarHBondContact OG-CG 3.38Å; S96-E99 PolarHBondContact OG-N 2.91Å; S96-E99 PolarHBondContact OG-OE2 2.87Å; S96-A100 WeakPolarHBondContact O-CB 3.22Å; S96-A100 PolarHBondContact O-N 3.32Å; S96-A100 VanDerWaalsContact O-N 3.1Å
97	K	98.5	Very high	97.8	Very high	141 Å²	141	48.6 Å²	48.6	61%	0.613	24%	0.24	S	C	*	.	H	α-helix	trans	-62.4	-35.1	171.4	-179.1	-171.2	171.4	-164.9	0	111.5	P78 T79 A100 T101	P78-K97 HydrophobicContact CB-CD 4.36Å; P78-K97 HydrophobicContact CB-CG 4.17Å; T79-K97 HydrophobicContact CG2-CB 4.27Å; K97-A100 WeakPolarHBondContact O-CB 3.43Å; K97-A100 PolarHBondContact O-N 2.81Å; K97-T101 WeakPolarHBondContact O-CB 3.48Å; K97-T101 PolarHBondContact O-N 3.16Å; K97-T101 PolarHBondContact O-OG1 3.46Å
98	E	98.6	Very high	98.3	Very high	143 Å²	143	41.8 Å²	41.8	67%	0.668	22%	0.22	S	C	*	.	H	α-helix	trans	-58.7	-55.7	177.9	-166.2	64.7	-156.9	0	0	110.1	S96 A100 T101 T102	S96-E98 VanDerWaalsContact C-N 3.25Å; S96-E98 PolarHBondContact O-N 3.43Å; E98-A100 VanDerWaalsContact C-N 3.31Å; E98-A100 PolarHBondContact O-N 3.47Å; E98-T101 WeakPolarHBondContact O-CA 3.45Å; E98-T101 WeakPolarHBondContact O-CB 3.31Å; E98-T101 PolarHBondContact O-N 3.12Å; E98-T102 PolarHBondContact O-N 2.87Å; E98-T102 PolarHBondContact O-OG1 3.37Å; E98-T102 VanDerWaalsContact O-OG1 3.08Å
99	E	98.6	Very high	98.4	Very high	27 Å²	27	44.4 Å²	44.4	13%	0.126	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-35.7	178.9	-71	167.9	95.8	0	0	112.8	A11 R12 F94 S96 T101 F103	A11-E99 HydrophobicContact CB-CB 3.99Å; R12-E99 WeakPolarHBondContact CB-OE1 3.49Å; R12-E99 WeakPolarHBondContact CG-OE1 3.46Å; R12-E99 IonicContact CZ-OE1 2.72Å; R12-E99 IonicContact CZ-OE2 3.54Å; R12-E99 PolarHBondContact N-OE1 3.36Å; R12-E99 IonicContact NE-OE1 3.68Å; R12-E99 PolarHBondContact NE-OE1 2.96Å; R12-E99 IonicContact NE-OE2 3.93Å; R12-E99 IonicContact NH2-OE1 3.11Å; R12-E99 PolarHBondContact NH2-OE1 2.84Å; R12-E99 IonicContact NH2-OE2 3.45Å; R12-E99 PolarHBondContact NH2-OE2 3.43Å; F94-E99 HydrophobicContact CD1-CB 4.47Å; S96-E99 WeakPolarHBondContact CB-OE2 3.48Å; S96-E99 WeakPolarHBondContact OG-CB 3.44Å; S96-E99 VanDerWaalsContact OG-CG 3.29Å; S96-E99 WeakPolarHBondContact OG-CG 3.38Å; S96-E99 PolarHBondContact OG-N 2.91Å; S96-E99 PolarHBondContact OG-OE2 2.87Å; E99-T101 VanDerWaalsContact C-N 3.33Å; E99-F103 WeakPolarHBondContact O-CB 3.39Å; E99-F103 PolarHBondContact O-N 3.1Å
100	A	98.7	Very high	98.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-41.2	172.3	0	0	0	0	0	111.8	P78 H81 F94 S96 K97 E98 F103 S104	P78-A100 WeakPolarHBondContact O-CB 3.39Å; H81-A100 PolarHBondContact CE1-O 2.85Å; H81-A100 VanDerWaalsContact CE1-O 3.24Å; F94-A100 HydrophobicContact CB-CB 3.79Å; F94-A100 HydrophobicContact CD1-CB 4.26Å; F94-A100 HydrophobicContact CD2-CB 3.54Å; F94-A100 HydrophobicContact CE2-CB 4.21Å; F94-A100 HydrophobicContact CG-CB 3.58Å; S96-A100 WeakPolarHBondContact O-CB 3.22Å; S96-A100 PolarHBondContact O-N 3.32Å; S96-A100 VanDerWaalsContact O-N 3.1Å; K97-A100 WeakPolarHBondContact O-CB 3.43Å; K97-A100 PolarHBondContact O-N 2.81Å; E98-A100 VanDerWaalsContact C-N 3.31Å; E98-A100 PolarHBondContact O-N 3.47Å; A100-F103 PolarHBondContact O-N 3.44Å; A100-S104 WeakPolarHBondContact O-CB 3.24Å; A100-S104 PolarHBondContact O-N 2.85Å; A100-S104 PolarHBondContact O-OG 3.33Å
101	T	98.7	Very high	98.3	Very high	52 Å²	52	42.9 Å²	42.9	32%	0.319	23%	0.225	S	C	.	.	H	α-helix	trans	-69.3	-45.5	178.6	-52.2	0	0	0	0	111.4	K97 E98 E99 F103 S104 N105	K97-T101 WeakPolarHBondContact O-CB 3.48Å; K97-T101 PolarHBondContact O-N 3.16Å; K97-T101 PolarHBondContact O-OG1 3.46Å; E98-T101 WeakPolarHBondContact O-CA 3.45Å; E98-T101 WeakPolarHBondContact O-CB 3.31Å; E98-T101 PolarHBondContact O-N 3.12Å; E99-T101 VanDerWaalsContact C-N 3.33Å; T101-F103 VanDerWaalsContact C-N 3.29Å; T101-F103 PolarHBondContact O-N 3.11Å; T101-S104 WeakPolarHBondContact CA-OG 3.48Å; T101-S104 PolarHBondContact O-N 3.24Å; T101-S104 PolarHBondContact O-OG 2.86Å; T101-S104 VanDerWaalsContact O-OG 3.05Å; T101-N105 PolarHBondContact O-N 2.89Å; T101-N105 PolarHBondContact O-ND2 2.88Å
102	T	98.6	Very high	98.2	Very high	63 Å²	63	47.8 Å²	47.8	39%	0.387	25%	0.252	S	S	.	.	H	α-helix	trans	-57.4	-44	174	-47	0	0	0	0	111.2	E98 A106	E98-T102 PolarHBondContact O-N 2.87Å; E98-T102 PolarHBondContact O-OG1 3.37Å; E98-T102 VanDerWaalsContact O-OG1 3.08Å; T102-A106 PolarHBondContact O-N 2.87Å
103	F	98.9	Very high	98	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69.3	-41.9	178.7	-174.3	-87.5	0	0	0	112.7	A11 I38 I40 V51 Y73 W83 L92 F94 E99 A100 T101 A106 M107	A11-F103 HydrophobicContact CB-CB 4.12Å; A11-F103 HydrophobicContact CB-CD2 4.46Å; I38-F103 HydrophobicContact CB-CE2 4.44Å; I38-F103 HydrophobicContact CG2-CD2 4.19Å; I38-F103 HydrophobicContact CG2-CE2 3.53Å; I38-F103 HydrophobicContact CG2-CZ 4.26Å; I40-F103 HydrophobicContact CD1-CD2 4.15Å; I40-F103 HydrophobicContact CD1-CE1 4.45Å; I40-F103 HydrophobicContact CD1-CE2 3.73Å; I40-F103 HydrophobicContact CD1-CZ 3.91Å; I40-F103 HydrophobicContact CG1-CD2 4.19Å; I40-F103 HydrophobicContact CG1-CE2 3.57Å; I40-F103 HydrophobicContact CG1-CZ 4.07Å; V51-F103 HydrophobicContact CG1-CE2 4.18Å; V51-F103 HydrophobicContact CG1-CZ 4.02Å; V51-F103 HydrophobicContact CG2-CZ 4.21Å; Y73-F103 HydrophobicContact CE2-CE1 4.16Å; W83-F103 HydrophobicContact CZ3-CE1 4.36Å; L92-F103 HydrophobicContact CD1-CD1 4.28Å; L92-F103 HydrophobicContact CD1-CE1 3.71Å; L92-F103 HydrophobicContact CD1-CE2 4.07Å; L92-F103 HydrophobicContact CD1-CZ 3.58Å; F94-F103 HydrophobicContact CE1-CB 3.56Å; F94-F103 HydrophobicContact CE1-CD1 4.07Å; F94-F103 HydrophobicContact CE1-CD2 4.24Å; F94-F103 AromaticContact CE1-CG 3.69Å; F94-F103 HydrophobicContact CE1-CG 3.69Å; F94-F103 HydrophobicContact CZ-CB 3.77Å; F94-F103 AromaticContact CZ-CD1 3.48Å; F94-F103 HydrophobicContact CZ-CD1 3.48Å; F94-F103 VanDerWaalsContact CZ-CD1 3.48Å; F94-F103 HydrophobicContact CZ-CD2 4.39Å; F94-F103 HydrophobicContact CZ-CE1 4.16Å; F94-F103 AromaticContact CZ-CG 3.61Å; F94-F103 HydrophobicContact CZ-CG 3.61Å; E99-F103 WeakPolarHBondContact O-CB 3.39Å; E99-F103 PolarHBondContact O-N 3.1Å; A100-F103 PolarHBondContact O-N 3.44Å; T101-F103 VanDerWaalsContact C-N 3.29Å; T101-F103 PolarHBondContact O-N 3.11Å; F103-A106 PolarHBondContact O-N 2.91Å; F103-M107 HydrophobicContact CD1-CB 4.45Å; F103-M107 HydrophobicContact CE1-CB 4.22Å; F103-M107 HydrophobicContact CE1-CE 3.83Å; F103-M107 HydrophobicContact CZ-CE 3.87Å; F103-M107 VanDerWaalsContact O-CB 3.32Å; F103-M107 WeakPolarHBondContact O-CB 3.34Å; F103-M107 PolarHBondContact O-N 3.44Å
104	S	98.7	Very high	97.7	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.021	25%	0.25	C	C	.	.	H	α-helix	trans	-64.8	-40.1	179.5	60.1	0	0	0	0	112.2	Y73 Q75 A100 T101 A106 M107 L108	Y73-S104 WeakPolarHBondContact OH-CA 3.49Å; Y73-S104 WeakPolarHBondContact OH-CB 3.29Å; Q75-S104 VanDerWaalsContact OE1-CB 3.31Å; Q75-S104 PolarHBondContact OE1-OG 3.13Å; A100-S104 WeakPolarHBondContact O-CB 3.24Å; A100-S104 PolarHBondContact O-N 2.85Å; A100-S104 PolarHBondContact O-OG 3.33Å; T101-S104 WeakPolarHBondContact CA-OG 3.48Å; T101-S104 PolarHBondContact O-N 3.24Å; T101-S104 PolarHBondContact O-OG 2.86Å; T101-S104 VanDerWaalsContact O-OG 3.05Å; S104-A106 PolarHBondContact O-N 3.47Å; S104-M107 PolarHBondContact O-N 3.29Å; S104-L108 WeakPolarHBondContact O-CB 3.43Å; S104-L108 VanDerWaalsContact O-CG 3.24Å; S104-L108 WeakPolarHBondContact O-CG 3.49Å; S104-L108 PolarHBondContact O-N 2.89Å
105	N	98.6	Very high	97.4	Very high	101 Å²	101	50.7 Å²	50.7	54%	0.54	27%	0.266	S	S	.	.	H	α-helix	trans	-60.1	-47.5	175.9	-67.7	-12.3	0	0	0	111.5	T101 L108 F109	T101-N105 PolarHBondContact O-N 2.89Å; T101-N105 PolarHBondContact O-ND2 2.88Å; N105-L108 PolarHBondContact O-N 2.86Å; N105-F109 VanDerWaalsContact O-CB 3.31Å; N105-F109 WeakPolarHBondContact O-CB 3.33Å; N105-F109 PolarHBondContact O-N 2.83Å
106	A	98.6	Very high	96.8	Very high	12 Å²	12	52.3 Å²	52.3	10%	0.099	28%	0.276	C	S	.	.	H	α-helix	trans	-68.8	-36.7	178.4	0	0	0	0	0	113.5	I8 C9 I40 T102 F103 S104 A110	I8-A106 HydrophobicContact CD1-CB 4.28Å; C9-A106 HydrophobicContact CB-CB 3.5Å; C9-A106 VanDerWaalsContact CB-CB 3.5Å; C9-A106 VanDerWaalsContact SG-CB 3.58Å; I40-A106 HydrophobicContact CD1-CB 4.12Å; T102-A106 PolarHBondContact O-N 2.87Å; F103-A106 PolarHBondContact O-N 2.91Å; S104-A106 PolarHBondContact O-N 3.47Å; A106-A110 WeakPolarHBondContact O-CB 3.21Å; A106-A110 PolarHBondContact O-N 2.95Å
107	M	98.4	Very high	95.4	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.6	-46.7	174.3	176.6	65.7	88.6	0	0	111.1	I40 V51 I67 Y73 W83 F103 S104 A110 L111	I40-M107 HydrophobicContact CD1-CB 3.91Å; V51-M107 HydrophobicContact CG2-CE 3.67Å; I67-M107 HydrophobicContact CD1-CE 4.22Å; I67-M107 HydrophobicContact CD1-SD 3.69Å; I67-M107 HydrophobicContact CG1-SD 4.23Å; Y73-M107 HydrophobicContact CD1-CG 4.04Å; Y73-M107 HydrophobicContact CD2-CE 4.22Å; Y73-M107 HydrophobicContact CD2-CG 3.68Å; Y73-M107 HydrophobicContact CE1-CB 4.43Å; Y73-M107 HydrophobicContact CE1-CG 4.19Å; Y73-M107 HydrophobicContact CE2-CB 4.43Å; Y73-M107 HydrophobicContact CE2-CE 4.31Å; Y73-M107 HydrophobicContact CE2-CG 3.85Å; Y73-M107 HydrophobicContact CG-CG 3.76Å; W83-M107 HydrophobicContact CD2-CE 4.46Å; W83-M107 HydrophobicContact CE3-CE 4.18Å; W83-M107 HydrophobicContact CZ3-CE 4.25Å; F103-M107 HydrophobicContact CD1-CB 4.45Å; F103-M107 HydrophobicContact CE1-CB 4.22Å; F103-M107 HydrophobicContact CE1-CE 3.83Å; F103-M107 HydrophobicContact CZ-CE 3.87Å; F103-M107 VanDerWaalsContact O-CB 3.32Å; F103-M107 WeakPolarHBondContact O-CB 3.34Å; F103-M107 PolarHBondContact O-N 3.44Å; S104-M107 PolarHBondContact O-N 3.29Å; M107-A110 PolarHBondContact O-N 3.14Å; M107-L111 HydrophobicContact CG-CD1 4.03Å; M107-L111 WeakPolarHBondContact O-CB 3.38Å; M107-L111 VanDerWaalsContact O-CG 3.24Å; M107-L111 WeakPolarHBondContact O-CG 3.31Å; M107-L111 PolarHBondContact O-N 2.79Å; M107-L111 HydrophobicContact SD-CD1 4.23Å; M107-L111 HydrophobicContact SD-CG 4.32Å
108	L	97.8	Very high	93.3	Very high	83 Å²	83	56.6 Å²	56.6	44%	0.435	29%	0.294	S	S	.	.	H	α-helix	trans	-65.8	-38.4	178.4	-69.5	171.7	0	0	0	111.9	Y73 S104 N105 L111 N112	Y73-L108 HydrophobicContact CD1-CD2 4.16Å; Y73-L108 HydrophobicContact CD1-CG 4.42Å; S104-L108 WeakPolarHBondContact O-CB 3.43Å; S104-L108 VanDerWaalsContact O-CG 3.24Å; S104-L108 WeakPolarHBondContact O-CG 3.49Å; S104-L108 PolarHBondContact O-N 2.89Å; N105-L108 PolarHBondContact O-N 2.86Å; L108-L111 PolarHBondContact O-N 3.13Å; L108-N112 WeakPolarHBondContact O-CB 3.22Å; L108-N112 PolarHBondContact O-N 2.79Å
109	F	97.5	Very high	90.9	Very high	110 Å²	110	52.9 Å²	52.9	48%	0.482	29%	0.294	S	S	.	.	H	α-helix	trans	-58.7	-50.1	171.6	169.2	-100	0	0	0	112.2	I8 F49 N105 L111 N112 I113	I8-F109 HydrophobicContact CD1-CD1 4.04Å; I8-F109 HydrophobicContact CD1-CE1 4.34Å; F49-F109 HydrophobicContact CE1-CE1 4.45Å; N105-F109 VanDerWaalsContact O-CB 3.31Å; N105-F109 WeakPolarHBondContact O-CB 3.33Å; N105-F109 PolarHBondContact O-N 2.83Å; F109-L111 VanDerWaalsContact C-N 3.35Å; F109-L111 PolarHBondContact O-N 3.08Å; F109-N112 WeakPolarHBondContact O-CB 3.25Å; F109-N112 PolarHBondContact O-N 2.97Å; F109-I113 HydrophobicContact CD1-CD1 4.2Å; F109-I113 HydrophobicContact CD2-CD1 4.36Å; F109-I113 HydrophobicContact CE1-CD1 3.6Å; F109-I113 HydrophobicContact CE2-CD1 3.79Å; F109-I113 HydrophobicContact CZ-CD1 3.38Å; F109-I113 PolarHBondContact O-N 2.95Å; F109-I113 VanDerWaalsContact O-N 3.09Å
110	A	97.4	Very high	88	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.7	-44.3	176.4	0	0	0	0	0	111.7	F49 I67 A106 M107 N112 I113 M114	F49-A110 HydrophobicContact CB-CB 4.02Å; F49-A110 HydrophobicContact CD1-CB 3.56Å; F49-A110 HydrophobicContact CD2-CB 4.07Å; F49-A110 HydrophobicContact CE1-CB 3.96Å; F49-A110 HydrophobicContact CE2-CB 4.45Å; F49-A110 HydrophobicContact CG-CB 3.62Å; F49-A110 HydrophobicContact CZ-CB 4.39Å; I67-A110 HydrophobicContact CD1-CB 4.27Å; A106-A110 WeakPolarHBondContact O-CB 3.21Å; A106-A110 PolarHBondContact O-N 2.95Å; M107-A110 PolarHBondContact O-N 3.14Å; A110-N112 VanDerWaalsContact C-N 3.33Å; A110-N112 PolarHBondContact O-N 3.34Å; A110-I113 PolarHBondContact O-N 3.46Å; A110-M114 WeakPolarHBondContact O-CB 3.49Å; A110-M114 VanDerWaalsContact O-CG 3.24Å; A110-M114 WeakPolarHBondContact O-CG 3.45Å; A110-M114 PolarHBondContact O-N 3.47Å
111	L	96.8	Very high	85.1	Confident	11 Å²	11	59.8 Å²	59.8	6%	0.058	35%	0.35	C	S	.	.	H	α-helix	trans	-63.3	-37.7	176.4	-69.7	171.7	0	0	0	112.5	I67 L71 M107 L108 F109 M114 N115	I67-L111 HydrophobicContact CG2-CD2 3.58Å; I67-L111 HydrophobicContact CG2-CG 4.31Å; L71-L111 HydrophobicContact CB-CD2 3.73Å; L71-L111 HydrophobicContact CD2-CD2 4.21Å; L71-L111 HydrophobicContact CG-CD2 4.37Å; M107-L111 HydrophobicContact CG-CD1 4.03Å; M107-L111 WeakPolarHBondContact O-CB 3.38Å; M107-L111 VanDerWaalsContact O-CG 3.24Å; M107-L111 WeakPolarHBondContact O-CG 3.31Å; M107-L111 PolarHBondContact O-N 2.79Å; M107-L111 HydrophobicContact SD-CD1 4.23Å; M107-L111 HydrophobicContact SD-CG 4.32Å; L108-L111 PolarHBondContact O-N 3.13Å; F109-L111 VanDerWaalsContact C-N 3.35Å; F109-L111 PolarHBondContact O-N 3.08Å; L111-M114 PolarHBondContact O-N 2.84Å; L111-N115 VanDerWaalsContact O-CB 3.31Å; L111-N115 WeakPolarHBondContact O-CB 3.29Å; L111-N115 PolarHBondContact O-N 3.23Å; L111-N115 PolarHBondContact O-ND2 3.49Å
112	N	95.6	Very high	82.1	Confident	104 Å²	104	62.5 Å²	62.5	56%	0.556	37%	0.37	S	S	*	.	H	α-helix	trans	-61.7	-50	175.6	-168.4	70.1	0	0	0	110.7	L108 F109 A110 M114 N115 S116	L108-N112 WeakPolarHBondContact O-CB 3.22Å; L108-N112 PolarHBondContact O-N 2.79Å; F109-N112 WeakPolarHBondContact O-CB 3.25Å; F109-N112 PolarHBondContact O-N 2.97Å; A110-N112 VanDerWaalsContact C-N 3.33Å; A110-N112 PolarHBondContact O-N 3.34Å; N112-M114 PolarHBondContact O-N 2.92Å; N112-N115 PolarHBondContact O-N 3.27Å; N112-N115 VanDerWaalsContact O-N 3.16Å; N112-S116 WeakPolarHBondContact O-CB 3.43Å; N112-S116 PolarHBondContact O-N 2.9Å; N112-S116 PolarHBondContact O-OG 3.3Å; N112-S116 VanDerWaalsContact O-OG 3.07Å
113	I	94.3	Very high	79.4	Confident	44 Å²	44	64.8 Å²	64.8	23%	0.226	39%	0.389	C	S	.	.	H	α-helix	trans	-58.8	-47.9	176.7	-66.9	171.4	0	0	0	111.4	F49 F109 A110 N115 S116 Q117	F49-I113 HydrophobicContact CE2-CB 4.05Å; F49-I113 HydrophobicContact CE2-CD1 4.45Å; F49-I113 HydrophobicContact CE2-CG2 3.81Å; F49-I113 HydrophobicContact CZ-CB 4.24Å; F49-I113 HydrophobicContact CZ-CD1 3.79Å; F49-I113 HydrophobicContact CZ-CG2 4.17Å; F109-I113 HydrophobicContact CD1-CD1 4.2Å; F109-I113 HydrophobicContact CD2-CD1 4.36Å; F109-I113 HydrophobicContact CE1-CD1 3.6Å; F109-I113 HydrophobicContact CE2-CD1 3.79Å; F109-I113 HydrophobicContact CZ-CD1 3.38Å; F109-I113 PolarHBondContact O-N 2.95Å; F109-I113 VanDerWaalsContact O-N 3.09Å; A110-I113 PolarHBondContact O-N 3.46Å; I113-N115 PolarHBondContact O-N 3.04Å; I113-S116 PolarHBondContact O-N 2.77Å; I113-Q117 PolarHBondContact O-N 2.75Å; I113-Q117 VanDerWaalsContact O-N 3.16Å
114	M	92.3	Very high	76.7	Confident	25 Å²	25	72.8 Å²	72.8	12%	0.123	43%	0.427	C	S	.	.	H	α-helix	trans	-62.6	-28.7	178.9	-69.7	-62.9	-59.7	0	0	113.1	F49 K69 A110 L111 N112	F49-M114 HydrophobicContact CD2-CG 3.87Å; F49-M114 HydrophobicContact CD2-SD 3.86Å; F49-M114 HydrophobicContact CE2-CG 4.36Å; F49-M114 HydrophobicContact CE2-SD 4.37Å; K69-M114 WeakPolarHBondContact CD-O 3.29Å; K69-M114 WeakPolarHBondContact CG-O 3.22Å; A110-M114 WeakPolarHBondContact O-CB 3.49Å; A110-M114 VanDerWaalsContact O-CG 3.24Å; A110-M114 WeakPolarHBondContact O-CG 3.45Å; A110-M114 PolarHBondContact O-N 3.47Å; L111-M114 PolarHBondContact O-N 2.84Å; N112-M114 PolarHBondContact O-N 2.92Å
115	N	91.3	Very high	73.8	Confident	72 Å²	72	84.2 Å²	84.2	39%	0.385	47%	0.469	S	S	.	.	H	α-helix	trans	-83.9	-38	175.7	-68.6	-30.5	0	0	0	112.1	K69 G70 L111 N112 I113 Q117	K69-N115 WeakPolarHBondContact CG-OD1 3.24Å; G70-N115 PolarHBondContact N-OD1 3.28Å; L111-N115 VanDerWaalsContact O-CB 3.31Å; L111-N115 WeakPolarHBondContact O-CB 3.29Å; L111-N115 PolarHBondContact O-N 3.23Å; L111-N115 PolarHBondContact O-ND2 3.49Å; N112-N115 PolarHBondContact O-N 3.27Å; N112-N115 VanDerWaalsContact O-N 3.16Å; I113-N115 PolarHBondContact O-N 3.04Å; N115-Q117 PolarHBondContact O-N 3.05Å
116	S	87.1	Confident	71.2	Confident	71 Å²	71	86.9 Å²	86.9	50%	0.497	48%	0.478	S	S	.	.	H	α-helix	trans	-68	-17.5	178	-66	0	0	0	0	114	N112 I113 E118 G119	N112-S116 WeakPolarHBondContact O-CB 3.43Å; N112-S116 PolarHBondContact O-N 2.9Å; N112-S116 PolarHBondContact O-OG 3.3Å; N112-S116 VanDerWaalsContact O-OG 3.07Å; I113-S116 PolarHBondContact O-N 2.77Å; S116-E118 PolarHBondContact O-N 2.7Å; S116-E118 VanDerWaalsContact O-N 3.1Å; S116-G119 PolarHBondContact O-N 3.04Å
117	Q	69.3	Low	68.6	Low	113 Å²	113	91.3 Å²	91.3	53%	0.528	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-11.3	179.2	-167.3	165.6	2.3	0	0	114.3	N47 I113 N115 G119	N47-Q117 PolarHBondContact ND2-OE1 3.27Å; I113-Q117 PolarHBondContact O-N 2.75Å; I113-Q117 VanDerWaalsContact O-N 3.16Å; N115-Q117 PolarHBondContact O-N 3.05Å; Q117-G119 PolarHBondContact O-N 3.24Å
118	E	52.9	Low	66.1	Low	154 Å²	154	100.2 Å²	100.2	72%	0.72	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	5	166.9	-87.6	177.8	-151.2	0	0	114.3	K69 S116	K69-E118 VanDerWaalsContact CE-OE1 3.29Å; K69-E118 WeakPolarHBondContact CE-OE1 3.37Å; K69-E118 IonicContact NZ-OE1 2.74Å; K69-E118 PolarHBondContact NZ-OE1 2.68Å; K69-E118 IonicContact NZ-OE2 3.22Å; K69-E118 PolarHBondContact NZ-OE2 2.92Å; S116-E118 PolarHBondContact O-N 2.7Å; S116-E118 VanDerWaalsContact O-N 3.1Å
119	G	49.2	Very low	63.7	Low	65 Å²	65	104.8 Å²	104.8	67%	0.67	57%	0.571	S	S	*	*			trans	-99.8	54.9	160	0	0	0	0	0	111.9	S116 Q117	S116-G119 PolarHBondContact O-N 3.04Å; Q117-G119 PolarHBondContact O-N 3.24Å
120	G	38.2	Very low	61.8	Low	46 Å²	46	101.3 Å²	101.3	47%	0.474	57%	0.566	S	S	.	*			trans	-61.9	153	163.9	0	0	0	0	0	110.4	S122	G120-S122 VanDerWaalsContact C-N 3.33Å; G120-S122 PolarHBondContact O-N 3.23Å
121	P	38	Very low	59.9	Low	127 Å²	127	105 Å²	105	83%	0.825	59%	0.59	S	S	*	*			trans	-66.2	94.3	173.8	28	-33.6	0	0	0	109.6	S123	P121-S123 PolarHBondContact O-N 3.01Å
122	S	34.7	Very low	58.3	Low	108 Å²	108	107 Å²	107	76%	0.755	60%	0.604	S	S	*	*			trans	-71.7	76.5	163.7	49.4	0	0	0	0	109.1	G120 Q124	G120-S122 VanDerWaalsContact C-N 3.33Å; G120-S122 PolarHBondContact O-N 3.23Å; S122-Q124 PolarHBondContact O-N 2.83Å
123	S	41.6	Very low	56.9	Low	112 Å²	112	106.2 Å²	106.2	78%	0.783	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	105.3	156.4	-69.1	0	0	0	0	107.9	P121	P121-S123 PolarHBondContact O-N 3.01Å
124	Q	42	Very low	55.7	Low	167 Å²	167	109.5 Å²	109.5	78%	0.78	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	45.2	86.5	175.4	-66.3	177.9	-75.8	0	0	116.7	S122	S122-Q124 PolarHBondContact O-N 2.83Å
125	R	39.2	Very low	54.8	Low	243 Å²	243	113.4 Å²	113.4	92%	0.917	64%	0.641	S	S	*	*				-124.7	90.1	120.7	-75.1	-163.3	-172.6	-118.3	0.1	110.4
126	Q	42.7	Very low	53.9	Low	157 Å²	157	115.5 Å²	115.5	73%	0.734	65%	0.65	S	S	*	*			trans	-61.2	177.6	144.2	-75.4	178.6	-77.3	0	0	109.7
127	V	45	Very low	53.4	Low	106 Å²	106	117.4 Å²	117.4	64%	0.642	66%	0.655	S	S	*	*			trans	63.6	103.9	-177.1	-59.5	0	0	0	0	112.8
128	Q	44.9	Very low	54	Low	187 Å²	187	116.8 Å²	116.8	87%	0.874	65%	0.654	S	S	*	*	S	Bend	cis	43.5	83.7	38.9	174.7	150.3	82.9	0	0	111.5	G130	Q128-G130 PolarHBondContact O-N 3.26Å
129	N	48	Very low	55.3	Low	178 Å²	178	115.4 Å²	115.4	95%	0.952	65%	0.647	S	S	*	*	S	Bend	trans	16.5	70.6	157.4	-65.3	-21	0	0	0	115.1
130	G	58.3	Low	56.8	Low	37 Å²	37	120.8 Å²	120.8	38%	0.381	65%	0.648	S	S	.	*			trans	-148.8	149.4	177.9	0	0	0	0	0	108.7	Q128	Q128-G130 PolarHBondContact O-N 3.26Å
131	P	57.5	Low	59	Low	79 Å²	79	127.3 Å²	127.3	51%	0.513	66%	0.658	S	S	.	*			trans	-59.1	149.5	-174.7	23.4	-33.2	0	0	0	112.1	E135	P131-E135 VanDerWaalsContact CA-OE2 3.26Å; P131-E135 WeakPolarHBondContact CA-OE2 3.38Å; P131-E135 HydrophobicContact CB-CB 4.05Å; P131-E135 VanDerWaalsContact CB-OE2 3.29Å; P131-E135 WeakPolarHBondContact CB-OE2 3.21Å
132	S	63.1	Low	61.1	Low	51 Å²	51	127.3 Å²	127.3	36%	0.357	65%	0.647	S	S	.	*			trans	-60.3	150.9	-176.3	-163.6	0	0	0	0	111.1	D134 E135 M136	S132-D134 PolarHBondContact O-N 2.94Å; S132-D134 VanDerWaalsContact O-N 3.15Å; S132-D134 PolarHBondContact OG-OD2 3.34Å; S132-E135 PolarHBondContact N-OE2 2.87Å; S132-E135 WeakPolarHBondContact O-CB 3.5Å; S132-E135 PolarHBondContact O-N 2.93Å; S132-M136 PolarHBondContact O-N 3.16Å
133	P	66.5	Low	63.5	Low	89 Å²	89	126.6 Å²	126.6	58%	0.578	64%	0.638	S	S	*	*	H	α-helix	trans	-48.1	-41	171.8	-30.7	37.4	0	0	0	113.4	E135 M136 D137	P133-E135 VanDerWaalsContact C-N 3.31Å; P133-E135 PolarHBondContact O-N 3.45Å; P133-M136 WeakPolarHBondContact O-CB 3.45Å; P133-M136 PolarHBondContact O-N 3.28Å; P133-M136 VanDerWaalsContact O-N 3.07Å; P133-D137 PolarHBondContact O-N 3.39Å
134	D	69.2	Low	65.3	Low	112 Å²	112	127.4 Å²	127.4	60%	0.599	63%	0.631	S	S	*	*	H	α-helix	trans	-57.7	-38.6	174.9	-53.3	-91.9	0	0	0	113.5	S132 M136 D137 I138	S132-D134 PolarHBondContact O-N 2.94Å; S132-D134 VanDerWaalsContact O-N 3.15Å; S132-D134 PolarHBondContact OG-OD2 3.34Å; D134-M136 VanDerWaalsContact C-N 3.34Å; D134-D137 PolarHBondContact O-N 3.05Å; D134-I138 WeakPolarHBondContact O-CD1 3.43Å; D134-I138 WeakPolarHBondContact O-CG1 3.14Å; D134-I138 PolarHBondContact O-N 3.35Å
135	E	73.3	Confident	67.3	Low	107 Å²	107	124.9 Å²	124.9	50%	0.5	62%	0.619	S	S	.	*	H	α-helix	trans	-69.1	-34.6	177	-65.4	179.4	100.4	0	0	111.3	P131 S132 P133 I138 Q139	P131-E135 VanDerWaalsContact CA-OE2 3.26Å; P131-E135 WeakPolarHBondContact CA-OE2 3.38Å; P131-E135 HydrophobicContact CB-CB 4.05Å; P131-E135 VanDerWaalsContact CB-OE2 3.29Å; P131-E135 WeakPolarHBondContact CB-OE2 3.21Å; S132-E135 PolarHBondContact N-OE2 2.87Å; S132-E135 WeakPolarHBondContact O-CB 3.5Å; S132-E135 PolarHBondContact O-N 2.93Å; P133-E135 VanDerWaalsContact C-N 3.31Å; P133-E135 PolarHBondContact O-N 3.45Å; E135-I138 PolarHBondContact O-N 3.09Å; E135-Q139 VanDerWaalsContact O-CB 3.31Å; E135-Q139 WeakPolarHBondContact O-CB 3.33Å; E135-Q139 PolarHBondContact O-N 3.07Å
136	M	71.1	Confident	69.3	Low	116 Å²	116	119.8 Å²	119.8	57%	0.571	61%	0.606	S	S	*	*	H	α-helix	trans	-69.1	-37.5	177.6	-162.2	179.6	-59.5	0	0	111.9	S132 P133 D134 R140	S132-M136 PolarHBondContact O-N 3.16Å; P133-M136 WeakPolarHBondContact O-CB 3.45Å; P133-M136 PolarHBondContact O-N 3.28Å; P133-M136 VanDerWaalsContact O-N 3.07Å; D134-M136 VanDerWaalsContact C-N 3.34Å; M136-R140 WeakPolarHBondContact O-CB 3.32Å; M136-R140 PolarHBondContact O-N 3.2Å
137	D	76.8	Confident	71.2	Confident	111 Å²	111	117 Å²	117	59%	0.594	59%	0.592	S	S	*	*	H	α-helix	trans	-70	-40.8	173.3	-82.8	-54.7	0	0	0	112.3	P133 D134 Q139 R140 R141	P133-D137 PolarHBondContact O-N 3.39Å; D134-D137 PolarHBondContact O-N 3.05Å; D137-Q139 VanDerWaalsContact C-N 3.33Å; D137-Q139 PolarHBondContact O-N 2.99Å; D137-R140 PolarHBondContact O-N 3.44Å; D137-R141 WeakPolarHBondContact O-CB 3.45Å; D137-R141 PolarHBondContact O-N 2.82Å
138	I	81	Confident	72.9	Confident	101 Å²	101	118 Å²	118	52%	0.518	59%	0.59	S	S	.	*	H	α-helix	trans	-59.8	-44.8	172.4	-69.1	162.8	0	0	0	110.5	D134 E135 R141 Q142	D134-I138 WeakPolarHBondContact O-CD1 3.43Å; D134-I138 WeakPolarHBondContact O-CG1 3.14Å; D134-I138 PolarHBondContact O-N 3.35Å; E135-I138 PolarHBondContact O-N 3.09Å; I138-R141 PolarHBondContact O-N 2.88Å; I138-Q142 PolarHBondContact O-N 3.38Å
139	Q	80.5	Confident	74.5	Confident	124 Å²	124	115.1 Å²	115.1	58%	0.579	58%	0.576	S	S	*	*	H	α-helix	trans	-67.3	-39	179	-166.4	165	42.9	0	0	112	E135 D137 R141 Q142 V143	E135-Q139 VanDerWaalsContact O-CB 3.31Å; E135-Q139 WeakPolarHBondContact O-CB 3.33Å; E135-Q139 PolarHBondContact O-N 3.07Å; D137-Q139 VanDerWaalsContact C-N 3.33Å; D137-Q139 PolarHBondContact O-N 2.99Å; Q139-R141 VanDerWaalsContact C-N 3.3Å; Q139-R141 PolarHBondContact O-N 2.77Å; Q139-Q142 PolarHBondContact O-N 2.89Å; Q139-V143 WeakPolarHBondContact O-CG2 3.34Å; Q139-V143 PolarHBondContact O-N 3.4Å
140	R	82.3	Confident	76	Confident	179 Å²	179	112.7 Å²	112.7	68%	0.675	56%	0.559	S	S	*	*	H	α-helix	trans	-59	-40.4	169.8	-99.1	-175.9	163.4	-87.4	-0.8	112.3	M136 D137 M144	M136-R140 WeakPolarHBondContact O-CB 3.32Å; M136-R140 PolarHBondContact O-N 3.2Å; D137-R140 PolarHBondContact O-N 3.44Å; R140-M144 PolarHBondContact O-N 3.5Å
141	R	83.3	Confident	77	Confident	182 Å²	182	118.5 Å²	118.5	69%	0.687	57%	0.57	S	S	*	*	H	α-helix	trans	-68.8	-43.9	-179.8	-151.7	170.7	-159.4	-86.8	1.2	111.7	D137 I138 Q139 M144 E145	D137-R141 WeakPolarHBondContact O-CB 3.45Å; D137-R141 PolarHBondContact O-N 2.82Å; I138-R141 PolarHBondContact O-N 2.88Å; Q139-R141 VanDerWaalsContact C-N 3.3Å; Q139-R141 PolarHBondContact O-N 2.77Å; R141-M144 PolarHBondContact O-N 3.4Å; R141-E145 WeakPolarHBondContact O-CB 3.45Å; R141-E145 PolarHBondContact O-N 2.96Å
142	Q	83	Confident	77.8	Confident	128 Å²	128	120.5 Å²	120.5	60%	0.598	57%	0.572	S	S	*	*	H	α-helix	trans	-61.7	-42.8	173.9	-75.1	-175.9	-3.8	0	0	112.7	I138 Q139 M144 E145 Q146	I138-Q142 PolarHBondContact O-N 3.38Å; Q139-Q142 PolarHBondContact O-N 2.89Å; Q142-M144 VanDerWaalsContact C-N 3.34Å; Q142-M144 PolarHBondContact O-N 3.33Å; Q142-E145 PolarHBondContact O-N 2.86Å; Q142-Q146 WeakPolarHBondContact O-CB 3.39Å; Q142-Q146 PolarHBondContact O-N 2.95Å
143	V	83.4	Confident	78.2	Confident	92 Å²	92	122.7 Å²	122.7	56%	0.558	58%	0.577	S	S	*	*	H	α-helix	trans	-64.4	-38.7	177.2	169.6	0	0	0	0	111.5	Q139 H147	Q139-V143 WeakPolarHBondContact O-CG2 3.34Å; Q139-V143 PolarHBondContact O-N 3.4Å; V143-H147 WeakPolarHBondContact O-CB 3.2Å; V143-H147 PolarHBondContact O-N 2.99Å
144	M	80.8	Confident	78.4	Confident	130 Å²	130	121.7 Å²	121.7	64%	0.64	57%	0.572	S	S	*	*	H	α-helix	trans	-65.5	-41.8	175.5	-170.5	-176.8	-66.2	0	0	112	R140 R141 Q142 H147 Q148	R140-M144 PolarHBondContact O-N 3.5Å; R141-M144 PolarHBondContact O-N 3.4Å; Q142-M144 VanDerWaalsContact C-N 3.34Å; Q142-M144 PolarHBondContact O-N 3.33Å; M144-H147 PolarHBondContact O-N 3.48Å; M144-Q148 WeakPolarHBondContact O-CB 3.45Å; M144-Q148 PolarHBondContact O-N 2.89Å
145	E	82.8	Confident	78.3	Confident	113 Å²	113	121.6 Å²	121.6	53%	0.528	57%	0.571	S	S	.	*	H	α-helix	trans	-65.3	-45.4	178.3	-165.4	170.7	100.4	0	0	111.7	R141 Q142 H147 Q148 Q149	R141-E145 WeakPolarHBondContact O-CB 3.45Å; R141-E145 PolarHBondContact O-N 2.96Å; Q142-E145 PolarHBondContact O-N 2.86Å; E145-H147 PolarHBondContact O-N 2.93Å; E145-Q148 PolarHBondContact O-N 3.45Å; E145-Q149 PolarHBondContact O-N 2.76Å
146	Q	82.3	Confident	77.9	Confident	137 Å²	137	122.5 Å²	122.5	64%	0.64	58%	0.575	S	S	*	*	H	α-helix	trans	-62	-42.7	175.2	-170.5	-172	96.2	0	0	112.1	Q142 Q148 Q149 Q150	Q142-Q146 WeakPolarHBondContact O-CB 3.39Å; Q142-Q146 PolarHBondContact O-N 2.95Å; Q146-Q148 VanDerWaalsContact C-N 3.28Å; Q146-Q148 PolarHBondContact O-N 3.44Å; Q146-Q149 PolarHBondContact O-N 2.7Å; Q146-Q150 WeakPolarHBondContact O-CB 3.34Å; Q146-Q150 PolarHBondContact O-N 3.46Å
147	H	81.2	Confident	77.4	Confident	97 Å²	97	126.1 Å²	126.1	45%	0.449	58%	0.582	S	S	.	*	H	α-helix	trans	-66.4	-30.5	176.8	-175.2	75.6	0	0	0	112.5	V143 M144 E145 R151	V143-H147 WeakPolarHBondContact O-CB 3.2Å; V143-H147 PolarHBondContact O-N 2.99Å; M144-H147 PolarHBondContact O-N 3.48Å; E145-H147 PolarHBondContact O-N 2.93Å; H147-R151 PolarHBondContact NE2-NH2 2.9Å; H147-R151 VanDerWaalsContact NE2-NH2 3.12Å; H147-R151 PolarHBondContact O-N 2.98Å
148	Q	80.9	Confident	76.6	Confident	127 Å²	127	130.9 Å²	130.9	59%	0.593	59%	0.592	S	S	*	*	H	α-helix	trans	-70.1	-44.1	173.8	-172.5	171.5	94	0	0	111.7	M144 E145 Q146 R151 Q152	M144-Q148 WeakPolarHBondContact O-CB 3.45Å; M144-Q148 PolarHBondContact O-N 2.89Å; E145-Q148 PolarHBondContact O-N 3.45Å; Q146-Q148 VanDerWaalsContact C-N 3.28Å; Q146-Q148 PolarHBondContact O-N 3.44Å; Q148-R151 WeakPolarHBondContact O-CB 3.43Å; Q148-R151 PolarHBondContact O-N 3.15Å; Q148-Q152 PolarHBondContact O-N 2.93Å
149	Q	79.9	Confident	75.4	Confident	127 Å²	127	131.6 Å²	131.6	59%	0.593	60%	0.601	S	S	*	*	H	α-helix	trans	-61.9	-45.7	173.8	-90.2	176.3	5	0	0	112.4	E145 Q146 R151 Q152 E153	E145-Q149 PolarHBondContact O-N 2.76Å; Q146-Q149 PolarHBondContact O-N 2.7Å; Q149-R151 PolarHBondContact O-N 2.95Å; Q149-Q152 PolarHBondContact O-N 3.34Å; Q149-E153 PolarHBondContact O-N 2.85Å
150	Q	79.4	Confident	74.2	Confident	127 Å²	127	130.4 Å²	130.4	59%	0.593	61%	0.607	S	S	*	*	H	α-helix	trans	-62.3	-30.3	178.7	-168.2	176.1	55.9	0	0	112.5	Q146 S154	Q146-Q150 WeakPolarHBondContact O-CB 3.34Å; Q146-Q150 PolarHBondContact O-N 3.46Å; Q150-S154 VanDerWaalsContact O-CB 3.24Å; Q150-S154 WeakPolarHBondContact O-CB 3.41Å; Q150-S154 PolarHBondContact O-N 3.18Å; Q150-S154 VanDerWaalsContact O-N 3.08Å
151	R	77.9	Confident	72.2	Confident	160 Å²	160	126.6 Å²	126.6	60%	0.604	61%	0.614	S	S	*	*	H	α-helix	trans	-69.4	-38.1	172.6	-172	-175.1	-60.2	-129.1	-3.1	112.4	H147 Q148 Q149 L155	H147-R151 PolarHBondContact NE2-NH2 2.9Å; H147-R151 VanDerWaalsContact NE2-NH2 3.12Å; H147-R151 PolarHBondContact O-N 2.98Å; Q148-R151 WeakPolarHBondContact O-CB 3.43Å; Q148-R151 PolarHBondContact O-N 3.15Å; Q149-R151 PolarHBondContact O-N 2.95Å; R151-L155 PolarHBondContact O-N 2.89Å
152	Q	75.6	Confident	70.2	Confident	120 Å²	120	125.1 Å²	125.1	56%	0.561	63%	0.625	S	S	*	*	H	α-helix	trans	-66.6	-50.4	174.5	-77.5	-179.3	-16	0	0	111.2	Q148 Q149 S154 L155 E156	Q148-Q152 PolarHBondContact O-N 2.93Å; Q149-Q152 PolarHBondContact O-N 3.34Å; Q152-S154 VanDerWaalsContact C-N 3.25Å; Q152-S154 PolarHBondContact O-N 3.12Å; Q152-L155 WeakPolarHBondContact O-CA 3.36Å; Q152-L155 WeakPolarHBondContact O-CB 3.49Å; Q152-L155 PolarHBondContact O-N 2.83Å; Q152-E156 PolarHBondContact O-N 3.01Å
153	E	71.1	Confident	68	Low	98 Å²	98	122.4 Å²	122.4	46%	0.458	63%	0.631	S	S	.	*	H	α-helix	trans	-59.4	-37.3	179	-163.8	-165.1	134.2	0	0	111.8	Q149 L155 E156 R157	Q149-E153 PolarHBondContact O-N 2.85Å; E153-L155 VanDerWaalsContact C-N 3.33Å; E153-L155 PolarHBondContact O-N 3.43Å; E153-E156 PolarHBondContact O-N 2.8Å; E153-R157 WeakPolarHBondContact O-CB 3.44Å; E153-R157 WeakPolarHBondContact O-CG 3.35Å; E153-R157 PolarHBondContact O-N 3.32Å; E153-R157 IonicContact OE1-CZ 3.59Å; E153-R157 VanDerWaalsContact OE1-CZ 3.32Å; E153-R157 IonicContact OE1-NE 3.59Å; E153-R157 PolarHBondContact OE1-NE 2.81Å; E153-R157 IonicContact OE1-NH2 2.76Å; E153-R157 PolarHBondContact OE1-NH2 3.01Å
154	S	69.8	Low	66.7	Low	67 Å²	67	123.8 Å²	123.8	47%	0.469	64%	0.642	S	S	.	*	H	α-helix	trans	-65.8	-32.1	175.6	-173.2	0	0	0	0	113.4	Q150 Q152 R158	Q150-S154 VanDerWaalsContact O-CB 3.24Å; Q150-S154 WeakPolarHBondContact O-CB 3.41Å; Q150-S154 PolarHBondContact O-N 3.18Å; Q150-S154 VanDerWaalsContact O-N 3.08Å; Q152-S154 VanDerWaalsContact C-N 3.25Å; Q152-S154 PolarHBondContact O-N 3.12Å; S154-R158 WeakPolarHBondContact O-CG 3.24Å
155	L	68.7	Low	64.4	Low	110 Å²	110	124.7 Å²	124.7	58%	0.576	65%	0.648	S	S	*	*	H	α-helix	trans	-72.7	-44.4	172.3	-105.4	66.9	0	0	0	111.4	R151 Q152 E153 R157 R158 T159	R151-L155 PolarHBondContact O-N 2.89Å; Q152-L155 WeakPolarHBondContact O-CA 3.36Å; Q152-L155 WeakPolarHBondContact O-CB 3.49Å; Q152-L155 PolarHBondContact O-N 2.83Å; E153-L155 VanDerWaalsContact C-N 3.33Å; E153-L155 PolarHBondContact O-N 3.43Å; L155-R157 PolarHBondContact O-N 3.24Å; L155-R158 WeakPolarHBondContact O-CA 3.29Å; L155-R158 PolarHBondContact O-N 3.04Å; L155-T159 PolarHBondContact O-N 3.49Å
156	E	64.6	Low	62.1	Low	127 Å²	127	127 Å²	127	59%	0.593	66%	0.663	S	S	*	*	H	α-helix	trans	-63	-40.7	179.3	-68.5	-178.6	101.3	0	0	112.1	Q152 E153 R158 T159	Q152-E156 PolarHBondContact O-N 3.01Å; E153-E156 PolarHBondContact O-N 2.8Å; E156-R158 PolarHBondContact O-N 2.83Å; E156-T159 PolarHBondContact O-N 2.89Å; E156-T159 VanDerWaalsContact O-N 3.14Å; E156-T159 PolarHBondContact O-OG1 3.23Å
157	R	61.1	Low	61.2	Low	191 Å²	191	126 Å²	126	72%	0.721	67%	0.668	S	S	*	*	H	α-helix	trans	-63.3	-18.7	172.2	-74.9	-171.5	-172.8	-111.7	4	114	E153 L155	E153-R157 WeakPolarHBondContact O-CB 3.44Å; E153-R157 WeakPolarHBondContact O-CG 3.35Å; E153-R157 PolarHBondContact O-N 3.32Å; E153-R157 IonicContact OE1-CZ 3.59Å; E153-R157 VanDerWaalsContact OE1-CZ 3.32Å; E153-R157 IonicContact OE1-NE 3.59Å; E153-R157 PolarHBondContact OE1-NE 2.81Å; E153-R157 IonicContact OE1-NH2 2.76Å; E153-R157 PolarHBondContact OE1-NH2 3.01Å; L155-R157 PolarHBondContact O-N 3.24Å
158	R	58.1	Low	59.8	Low	212 Å²	212	127.3 Å²	127.3	80%	0.8	69%	0.686	S	S	*	*	H	α-helix	trans	-93.4	-9	176.1	-70.8	-175.6	72.1	-148.4	-0.9	114	S154 L155 E156	S154-R158 WeakPolarHBondContact O-CG 3.24Å; L155-R158 WeakPolarHBondContact O-CA 3.29Å; L155-R158 PolarHBondContact O-N 3.04Å; E156-R158 PolarHBondContact O-N 2.83Å
159	T	56.3	Low	57.4	Low	115 Å²	115	124.8 Å²	124.8	71%	0.706	69%	0.694	S	S	*	*	H	α-helix	trans	-99.1	-8.7	176.4	52.9	0	0	0	0	114	L155 E156	L155-T159 PolarHBondContact O-N 3.49Å; E156-T159 PolarHBondContact O-N 2.89Å; E156-T159 VanDerWaalsContact O-N 3.14Å; E156-T159 PolarHBondContact O-OG1 3.23Å
160	S	55.5	Low	55.1	Low	100 Å²	100	127.8 Å²	127.8	70%	0.699	71%	0.707	S	S	*	*	S	Bend	trans	-128.7	57.7	-170.9	-60.5	0	0	0	0	114.4
161	A	40.7	Very low	54.1	Low	99 Å²	99	126.5 Å²	126.5	82%	0.818	71%	0.71	S	S	*	*			trans	-174.3	142.5	150.7	0	0	0	0	0	112.7
162	T	41.3	Very low	52.1	Low	151 Å²	151	124.2 Å²	124.2	93%	0.926	72%	0.719	S	S	*	*			trans	-124.9	141.1	-172.5	-15.6	0	0	0	0	110.4
163	G	37.1	Very low	50.1	Low	71 Å²	71	123.9 Å²	123.9	73%	0.732	73%	0.73	S	S	*	*			trans	111.9	164.9	161.2	0	0	0	0	0	118
164	P	55.7	Low	48.3	Very low	121 Å²	121	123.4 Å²	123.4	79%	0.786	74%	0.742	S	S	*	*			trans	-138.4	-177.4	-138	42.6	-24.4	0	0	0	118.3
165	I	33.3	Very low	46.7	Very low	149 Å²	149	124.7 Å²	124.7	76%	0.764	76%	0.757	S	S	*	*			trans	94.3	105.6	157.4	-61.5	165.9	0	0	0	120.8
166	L	32.6	Very low	45	Very low	160 Å²	160	125.4 Å²	125.4	84%	0.838	77%	0.771	S	S	*	*			trans	42.1	-170.4	133.6	-46.1	174.9	0	0	0	121.8
167	P	63.4	Low	43.9	Very low	116 Å²	116	123.8 Å²	123.8	75%	0.753	78%	0.779	S	S	*	*				-133.4	-146.7	-118.6	42.9	-18.2	0	0	0	112.9
168	P	53.6	Low	43.6	Very low	126 Å²	126	120.3 Å²	120.3	82%	0.818	78%	0.781	S	S	*	*			cis	-130.1	-166.5	-20.8	42.9	-25.8	0	0	0	114
169	G	29.4	Very low	42.6	Very low	74 Å²	74	118.4 Å²	118.4	76%	0.763	79%	0.786	S	S	*	*			trans	164.8	114.7	161.5	0	0	0	0	0	118.3
170	H	31.5	Very low	42.1	Very low	190 Å²	190	118.4 Å²	118.4	88%	0.88	79%	0.79	S	S	*	*			trans	-105.6	-176.3	172.1	-99	-110	0	0	0	109.9
171	P	59.4	Low	41.4	Very low	100 Å²	100	120 Å²	120	65%	0.649	80%	0.8	S	S	*	*			cis	-140.1	-167.6	-31.1	36.8	-16.5	0	0	0	114.5
172	S	34.9	Very low	41.6	Very low	112 Å²	112	121 Å²	121	78%	0.783	80%	0.8	S	S	*	*			trans	74.3	144.1	151.5	-56.6	0	0	0	0	118.8
173	S	34.3	Very low	42.5	Very low	113 Å²	113	116.8 Å²	116.8	79%	0.79	79%	0.788	S	S	*	*			cis	-171	162.5	22	-146.8	0	0	0	0	113.7
174	A	32.8	Very low	43.9	Very low	88 Å²	88	119.3 Å²	119.3	73%	0.727	79%	0.791	S	S	*	*			trans	58.2	109.7	142.9	0	0	0	0	0	124
175	A	36.7	Very low	44.3	Very low	94 Å²	94	119.1 Å²	119.1	78%	0.777	79%	0.79	S	S	*	*				51.4	119.3	120.6	0	0	0	0	0	122.5
176	S	32.9	Very low	46	Very low	125 Å²	125	117.6 Å²	117.6	87%	0.874	79%	0.79	S	S	*	*				170.9	150.5	107.5	-72.6	0	0	0	0	111.8
177	A	41.1	Very low	48	Very low	92 Å²	92	115.6 Å²	115.6	76%	0.76	79%	0.786	S	S	*	*			trans	-112.9	-174	172.3	0	0	0	0	0	109.5
178	P	55.6	Low	48.4	Very low	118 Å²	118	115.6 Å²	115.6	77%	0.766	79%	0.786	S	S	*	*			cis	-125.5	167.4	-30.5	36.8	-23.2	0	0	0	112.3
179	I	37.4	Very low	49.3	Very low	173 Å²	173	115.1 Å²	115.1	89%	0.887	78%	0.783	S	S	*	*			trans	-153.2	149	148.2	39.8	171	0	0	0	112.9
180	S	44.7	Very low	51.5	Low	115 Å²	115	117.1 Å²	117.1	80%	0.804	78%	0.783	S	S	*	*			trans	-73.2	151.5	-179.2	-45.9	0	0	0	0	113.8
181	C	40.2	Very low	53.4	Low	134 Å²	134	114.2 Å²	114.2	91%	0.905	78%	0.781	S	S	*	*			trans	-134.6	98.3	158.9	-82.2	0	0	0	0	110
182	S	46.1	Very low	54	Low	118 Å²	118	115.8 Å²	115.8	83%	0.825	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-70.7	128.9	167.7	48.2	0	0	0	0	110.4
183	G	59.7	Low	55.8	Low	64 Å²	64	115.7 Å²	115.7	66%	0.66	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-64.4	154.8	169.3	0	0	0	0	0	112.1
184	P	65.9	Low	57.6	Low	124 Å²	124	115.9 Å²	115.9	81%	0.805	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-67.3	150.4	179.6	28.8	-34.9	0	0	0	111.9
185	P	64.7	Low	59.1	Low	116 Å²	116	117 Å²	117	75%	0.753	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-69.9	157.2	177.1	30.5	-35.6	0	0	0	112
186	P	69.3	Low	60.4	Low	118 Å²	118	118.6 Å²	118.6	77%	0.766	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-65.8	153.7	175.6	28.8	-35.5	0	0	0	112.2
187	P	74.1	Confident	61.4	Low	118 Å²	118	119.4 Å²	119.4	77%	0.766	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-67.3	153.9	178	29.1	-35.5	0	0	0	112.2
188	P	72.4	Confident	61.6	Low	116 Å²	116	118.6 Å²	118.6	75%	0.753	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-67.7	152.3	177.6	29.1	-35.3	0	0	0	112.1
189	P	71.4	Confident	61.2	Low	116 Å²	116	117.9 Å²	117.9	75%	0.753	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-66.7	153.1	175.2	29.2	-35.3	0	0	0	111.8
190	P	76.3	Confident	62.1	Low	115 Å²	115	115.7 Å²	115.7	75%	0.747	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-66.2	152.6	178.9	28.4	-35.4	0	0	0	112.2
191	P	72.4	Confident	62.5	Low	129 Å²	129	115.6 Å²	115.6	84%	0.838	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-65.3	138.4	179.8	27	-34.4	0	0	0	112
192	V	71.9	Confident	63.7	Low	134 Å²	134	114.8 Å²	114.8	81%	0.812	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-72.3	134.7	177.8	-153.5	0	0	0	0	109.5
193	P	72.9	Confident	64.8	Low	109 Å²	109	114.8 Å²	114.8	71%	0.708	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-62.9	147	175.5	25.1	-34.3	0	0	0	111.7
194	P	71.7	Confident	65	Low	117 Å²	117	117.3 Å²	117.3	76%	0.76	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-67.9	149.1	-178.1	28.4	-35.1	0	0	0	111.8
195	P	63.1	Low	64.9	Low	111 Å²	111	117 Å²	117	72%	0.721	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-66.8	146.2	174.2	29.3	-34.6	0	0	0	110.9	T197	P195-T197 PolarHBondContact O-N 2.84Å
196	P	64.2	Low	65.2	Low	128 Å²	128	117.4 Å²	117.4	83%	0.831	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-62.6	131.4	177.6	25.7	-33.4	0	0	0	110.9
197	T	55.2	Low	64.6	Low	142 Å²	142	119.7 Å²	119.7	87%	0.871	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-65.8	145.6	179.8	39.5	0	0	0	0	111.9	P195	P195-T197 PolarHBondContact O-N 2.84Å
198	G	45.4	Very low	63.9	Low	76 Å²	76	120.1 Å²	120.1	78%	0.784	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-57	135.2	-162.8	0	0	0	0	0	116.1
199	A	47.1	Very low	63	Low	103 Å²	103	119.3 Å²	119.3	85%	0.851	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-73.5	127.3	154.2	0	0	0	0	0	109
200	T	54.6	Low	61.6	Low	126 Å²	126	117.9 Å²	117.9	77%	0.773	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-64.9	145.5	170.8	44.8	0	0	0	0	110.5
201	P	54.8	Low	59.9	Low	114 Å²	114	116.2 Å²	116.2	74%	0.74	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-65.2	143.3	174.7	28.1	-34.1	0	0	0	110.5
202	P	64.1	Low	58.4	Low	116 Å²	116	114.3 Å²	114.3	75%	0.753	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-67.2	149.4	178.3	28.4	-34.8	0	0	0	111.5
203	P	70.8	Confident	56.8	Low	119 Å²	119	117.6 Å²	117.6	77%	0.773	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-67.4	151	178.4	28.6	-35	0	0	0	112.1
204	P	63	Low	55	Low	116 Å²	116	115.5 Å²	115.5	75%	0.753	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-69.3	152	177	29.8	-35.3	0	0	0	112.1
205	P	64.7	Low	53.5	Low	117 Å²	117	115.5 Å²	115.5	76%	0.76	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-69.3	145.8	177.5	29.2	-35	0	0	0	112
206	P	70.4	Confident	52.2	Low	125 Å²	125	115.5 Å²	115.5	81%	0.812	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-70	142.6	176.9	29.2	-34.4	0	0	0	111.8
207	L	56.2	Low	50.9	Low	166 Å²	166	118 Å²	118	87%	0.869	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-77	145.5	172	-72.9	161.9	0	0	0	110.6	A209	L207-A209 PolarHBondContact O-N 3.48Å
208	P	59.4	Low	50.1	Low	127 Å²	127	117.1 Å²	117.1	83%	0.825	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-66.1	121.8	177.1	-18.2	31.3	0	0	0	111.5	G210	P208-G210 PolarHBondContact O-N 2.88Å
209	A	53	Low	49.8	Very low	100 Å²	100	120.4 Å²	120.4	83%	0.826	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-75.4	119.7	170.9	0	0	0	0	0	110	L207 G211	L207-A209 PolarHBondContact O-N 3.48Å; A209-G211 PolarHBondContact O-N 3.05Å; A209-G211 VanDerWaalsContact O-N 3.12Å
210	G	42.7	Very low	49.2	Very low	86 Å²	86	120.5 Å²	120.5	89%	0.887	78%	0.783	S	S	*	*			trans	-74.3	95.9	170.3	0	0	0	0	0	110.8	P208	P208-G210 PolarHBondContact O-N 2.88Å
211	G	40.1	Very low	48.5	Very low	80 Å²	80	119.8 Å²	119.8	83%	0.825	78%	0.783	S	S	*	*			trans	-92.7	130.9	170.2	0	0	0	0	0	111.3	A209	A209-G211 PolarHBondContact O-N 3.05Å; A209-G211 VanDerWaalsContact O-N 3.12Å
212	A	41.4	Very low	47.9	Very low	89 Å²	89	122.5 Å²	122.5	74%	0.736	79%	0.788	S	S	*	*			trans	-98.8	163.6	178.8	0	0	0	0	0	112.6
213	Q	37.5	Very low	47.2	Very low	203 Å²	203	121.9 Å²	121.9	95%	0.949	79%	0.787	S	S	*	*			trans	73.2	138.5	169.2	-56.4	-179.4	-89.4	0	0	118.3
214	G	35.3	Very low	45.9	Very low	64 Å²	64	119.2 Å²	119.2	66%	0.66	78%	0.78	S	S	*	*			trans	141	62.7	136.1	0	0	0	0	0	121.1
215	S	40.2	Very low	45.5	Very low	117 Å²	117	121 Å²	121	82%	0.818	78%	0.783	S	S	*	*			trans	59.3	143.1	142.1	55.5	0	0	0	0	124.1
216	S	36.2	Very low	44.8	Very low	111 Å²	111	119.6 Å²	119.6	78%	0.776	78%	0.781	S	S	*	*			trans	93.4	123.2	147.4	73.7	0	0	0	0	121.3
217	H	36.9	Very low	44	Very low	182 Å²	182	117.9 Å²	117.9	84%	0.843	78%	0.777	S	S	*	*			trans	56.1	134.6	135.2	-129.7	-102.4	0	0	0	119.5
218	D	38.3	Very low	43.6	Very low	123 Å²	123	113.8 Å²	113.8	66%	0.658	77%	0.768	S	S	*	*			cis	-167	169.2	-5.9	170.9	-136.5	0	0	0	109.7
219	E	38.2	Very low	43.4	Very low	144 Å²	144	114.3 Å²	114.3	67%	0.673	76%	0.762	S	S	*	*			trans	5.4	120.1	168.7	-94	-81.3	70.8	0	0	121.1
220	S	35.2	Very low	43.5	Very low	105 Å²	105	113.9 Å²	113.9	73%	0.734	76%	0.759	S	S	*	*				174.1	111.5	111.4	-79.7	0	0	0	0	114.4
221	S	40.4	Very low	44.3	Very low	112 Å²	112	113.2 Å²	113.2	78%	0.783	75%	0.751	S	S	*	*			trans	63.5	128.4	143.1	-67.2	0	0	0	0	123.8
222	M	42.1	Very low	44.6	Very low	171 Å²	171	113.9 Å²	113.9	84%	0.842	75%	0.749	S	S	*	*			trans	90.5	82.8	144.9	-162.4	60	-178	0	0	120.8
223	S	48.3	Very low	45.1	Very low	103 Å²	103	119.3 Å²	119.3	72%	0.72	76%	0.756	S	S	*	*			trans	62	85.4	131.6	-60	0	0	0	0	120.8
224	G	44.9	Very low	45.5	Very low	62 Å²	62	117.9 Å²	117.9	64%	0.639	75%	0.754	S	S	*	*			trans	-99.4	142.3	149.8	0	0	0	0	0	112.1	A226	G224-A226 PolarHBondContact O-N 3.1Å
225	L	53.7	Low	46.7	Very low	155 Å²	155	125.8 Å²	125.8	81%	0.812	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-49.5	-13.9	-176.7	-173.2	63	0	0	0	116.7	A227 A228	L225-A227 VanDerWaalsContact C-N 3.25Å; L225-A227 PolarHBondContact O-N 2.88Å; L225-A228 WeakPolarHBondContact O-CB 3.45Å; L225-A228 PolarHBondContact O-N 2.76Å; L225-A228 VanDerWaalsContact O-N 3.15Å
226	A	49.5	Very low	47.1	Very low	86 Å²	86	131.8 Å²	131.8	71%	0.711	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-60.5	-25.2	-175.2	0	0	0	0	0	115	G224 A228	G224-A226 PolarHBondContact O-N 3.1Å; A226-A228 PolarHBondContact O-N 3.39Å
227	A	53.5	Low	47.1	Very low	89 Å²	89	132.8 Å²	132.8	74%	0.736	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-66.2	-23.5	176.7	0	0	0	0	0	113.5	L225 I229	L225-A227 VanDerWaalsContact C-N 3.25Å; L225-A227 PolarHBondContact O-N 2.88Å; A227-I229 VanDerWaalsContact C-N 3.32Å; A227-I229 PolarHBondContact O-N 3.33Å
228	A	48.3	Very low	46.9	Very low	81 Å²	81	132.7 Å²	132.7	67%	0.669	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-77	-10.5	-171.3	0	0	0	0	0	115.2	L225 A226	L225-A228 WeakPolarHBondContact O-CB 3.45Å; L225-A228 PolarHBondContact O-N 2.76Å; L225-A228 VanDerWaalsContact O-N 3.15Å; A226-A228 PolarHBondContact O-N 3.39Å
229	I	55.9	Low	46.7	Very low	138 Å²	138	138 Å²	138	71%	0.708	78%	0.781	S	S	*	*	S	Bend	trans	-108.7	-13	-171.2	-55.8	179.8	0	0	0	112.5	A227 G231	A227-I229 VanDerWaalsContact C-N 3.32Å; A227-I229 PolarHBondContact O-N 3.33Å; I229-G231 PolarHBondContact O-N 2.68Å; I229-G231 VanDerWaalsContact O-N 3.09Å
230	A	54.4	Low	47	Very low	91 Å²	91	135.6 Å²	135.6	75%	0.752	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-5.5	-175.5	0	0	0	0	0	115.7
231	G	60.8	Low	47	Very low	71 Å²	71	139.2 Å²	139.2	73%	0.732	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-10.4	-170.7	0	0	0	0	0	117.3	I229 K233	I229-G231 PolarHBondContact O-N 2.68Å; I229-G231 VanDerWaalsContact O-N 3.09Å; G231-K233 PolarHBondContact O-N 2.74Å
232	A	46.1	Very low	46.8	Very low	95 Å²	95	140.4 Å²	140.4	79%	0.785	78%	0.781	S	S	*	*			trans	-83.5	63.1	-167.3	0	0	0	0	0	114.8
233	K	51.1	Low	46.4	Very low	202 Å²	202	136.8 Å²	136.8	88%	0.878	78%	0.778	S	S	*	*			trans	-90.2	101.2	172.8	-67.4	179.7	71	176	0	111.2	G231	G231-K233 PolarHBondContact O-N 2.74Å
234	L	46.9	Very low	46	Very low	173 Å²	173	137.7 Å²	137.7	91%	0.906	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-78.5	125	172.2	-70.8	176.1	0	0	0	111.6
235	R	59.3	Low	45.3	Very low	231 Å²	231	138.8 Å²	138.8	87%	0.872	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-55.2	133.9	175.6	57.9	-165.5	167.3	112.3	0.2	112.7
236	R	49.3	Very low	44.3	Very low	242 Å²	242	134.7 Å²	134.7	91%	0.913	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-81.7	132	174.5	-170.5	167.6	-179.8	83.6	-2.1	109.9
237	V	36.6	Very low	43.6	Very low	133 Å²	133	136.6 Å²	136.6	81%	0.806	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-77	136.1	178.3	175	0	0	0	0	110.2
238	Q	32.5	Very low	42.8	Very low	180 Å²	180	137.8 Å²	137.8	84%	0.841	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-93.5	135.5	-179.1	-177.9	174.5	-8.9	0	0	110.6
239	R	33.6	Very low	42.9	Very low	234 Å²	234	140 Å²	140	88%	0.883	81%	0.809	S	S	*	*			trans	-144.4	133.9	160.3	-174.8	169.9	-75.3	-140.5	-2.4	107.5
240	P	43.7	Very low	42.1	Very low	94 Å²	94	139 Å²	139	61%	0.61	82%	0.815	S	S	*	*			trans	-95.6	161.1	-163.7	37.4	-36.2	0	0	0	114.4
241	E	35.3	Very low	41.1	Very low	181 Å²	181	138.5 Å²	138.5	85%	0.846	82%	0.818	S	S	*	*			trans	52.1	155.3	146.8	-70.1	-175.3	114.8	0	0	120.5
242	D	36.3	Very low	40.1	Very low	137 Å²	137	141.1 Å²	141.1	73%	0.733	82%	0.82	S	S	*	*			cis	-162.3	138.9	-27.8	-177.9	-82.2	0	0	0	105.3
243	A	35.2	Very low	39.9	Very low	95 Å²	95	141.2 Å²	141.2	79%	0.785	82%	0.815	S	S	*	*			trans	-176.7	147.3	160.1	0	0	0	0	0	111.9
244	S	38.3	Very low	39.4	Very low	121 Å²	121	141 Å²	141	85%	0.846	81%	0.814	S	S	*	*			trans	-104.3	156.7	-174.4	-67.9	0	0	0	0	114.7
245	G	31.8	Very low	39	Very low	86 Å²	86	137.5 Å²	137.5	89%	0.887	80%	0.804	S	S	*	*			trans	82.3	153.8	166.3	0	0	0	0	0	115.4
246	G	31.5	Very low	37.9	Very low	69 Å²	69	133.8 Å²	133.8	71%	0.711	80%	0.801	S	S	*	*			cis	171	150.1	-5.8	0	0	0	0	0	111.1
247	S	34.9	Very low	37.6	Very low	126 Å²	126	126.4 Å²	126.4	88%	0.881	79%	0.792	S	S	*	*			trans	59.2	128.6	161.6	-54.8	0	0	0	0	121.1
248	S	36.8	Very low	37.7	Very low	113 Å²	113	127.6 Å²	127.6	79%	0.79	79%	0.794	S	S	*	*			trans	-70.8	165.9	152.7	-46.9	0	0	0	0	110.7
249	P	50.1	Low	38.5	Very low	127 Å²	127	130.3 Å²	130.3	83%	0.825	80%	0.797	S	S	*	*				-145	170	91.4	37.6	-21.7	0	0	0	115.7
250	S	39.8	Very low	38.6	Very low	119 Å²	119	123.8 Å²	123.8	83%	0.832	79%	0.793	S	S	*	*			trans	-71.6	150	173.2	50	0	0	0	0	114.1
251	G	33.5	Very low	38.6	Very low	79 Å²	79	124.6 Å²	124.6	81%	0.814	80%	0.801	S	S	*	*			trans	-141.6	138.4	167.1	0	0	0	0	0	111.7
252	T	40.7	Very low	39	Very low	126 Å²	126	121.1 Å²	121.1	77%	0.773	80%	0.796	S	S	*	*			trans	-125.9	154.9	-169.7	56.2	0	0	0	0	113.7
253	S	40.2	Very low	39.1	Very low	97 Å²	97	118.6 Å²	118.6	68%	0.678	80%	0.803	S	S	*	*			trans	98.2	124.5	148.6	-56.1	0	0	0	0	120.2
254	K	42.1	Very low	39.7	Very low	197 Å²	197	118 Å²	118	86%	0.857	81%	0.805	S	S	*	*			trans	58.7	153.9	130.5	-64.3	-179.1	179.7	-179.4	0	118.4
255	S	38.3	Very low	40.4	Very low	101 Å²	101	116.4 Å²	116.4	71%	0.706	81%	0.809	S	S	*	*			cis	-177.5	158.5	5	35.7	0	0	0	0	107.5
256	D	36.3	Very low	41.2	Very low	152 Å²	152	115.7 Å²	115.7	81%	0.813	80%	0.801	S	S	*	*			cis	-161.6	-176.2	-0.6	-130.2	-77.7	0	0	0	113.8
257	A	42	Very low	42.6	Very low	87 Å²	87	116 Å²	116	72%	0.719	80%	0.804	S	S	*	*			trans	17.8	126.6	157.1	0	0	0	0	0	123.5
258	N	38.9	Very low	44.4	Very low	159 Å²	159	111.8 Å²	111.8	85%	0.85	78%	0.781	S	S	*	*				-148.1	158.1	110.4	-154	-0.2	0	0	0	112.4
259	R	48.6	Very low	46.3	Very low	237 Å²	237	113.1 Å²	113.1	89%	0.894	78%	0.779	S	S	*	*			trans	-84.8	139.9	-164.3	-65.2	161.9	158.9	160.5	-8.8	114.6
260	A	36	Very low	47.8	Very low	97 Å²	97	115.1 Å²	115.1	80%	0.802	78%	0.779	S	S	*	*				-169	130.3	121.1	0	0	0	0	0	113.1
261	S	44.2	Very low	50	Low	110 Å²	110	115.3 Å²	115.3	77%	0.769	77%	0.767	S	S	*	*			trans	29.8	126.2	153.6	-156.9	0	0	0	0	122.2
262	S	44.1	Very low	52.3	Low	108 Å²	108	118 Å²	118	76%	0.755	76%	0.758	S	S	*	*			trans	42.6	96.6	151.3	58.4	0	0	0	0	116.2
263	G	38.5	Very low	54.4	Low	84 Å²	84	117.2 Å²	117.2	87%	0.866	75%	0.747	S	S	*	*				79.6	65.1	63.9	0	0	0	0	0	109.7
264	G	47.5	Very low	56.4	Low	82 Å²	82	117.9 Å²	117.9	85%	0.845	74%	0.743	S	S	*	*			trans	-78.4	170.1	177.7	0	0	0	0	0	113.1
265	G	52.3	Low	58.4	Low	89 Å²	89	116 Å²	116	92%	0.918	73%	0.734	S	S	*	*			trans	103.3	75.1	176.9	0	0	0	0	0	113.1
266	G	48.8	Very low	60.7	Low	70 Å²	70	114.8 Å²	114.8	72%	0.722	72%	0.72	S	S	*	*			trans	-165.4	36.7	-176.9	0	0	0	0	0	114.6	G268	G266-G268 PolarHBondContact O-N 3.45Å
267	G	60.3	Low	63.1	Low	75 Å²	75	110.9 Å²	110.9	77%	0.773	70%	0.699	S	S	*	*			trans	-68.8	76.4	175.5	0	0	0	0	0	111.5
268	G	74	Confident	65.1	Low	39 Å²	39	109.2 Å²	109.2	40%	0.402	69%	0.685	S	S	.	*			trans	-109.3	171.7	-177.8	0	0	0	0	0	113.3	G266 M270 E271	G266-G268 PolarHBondContact O-N 3.45Å; G268-M270 PolarHBondContact O-N 3.01Å; G268-E271 PolarHBondContact O-N 2.9Å
269	L	75.1	Confident	67.3	Low	141 Å²	141	109.1 Å²	109.1	74%	0.738	68%	0.677	S	S	*	*	H	α-helix	trans	-42.1	-34	-179.8	-171.6	77.6	0	0	0	114.9	E271 E272 M273	L269-E271 PolarHBondContact O-N 3.18Å; L269-E272 PolarHBondContact O-N 3.08Å; L269-M273 WeakPolarHBondContact O-CB 3.39Å; L269-M273 PolarHBondContact O-N 3.36Å
270	M	82.9	Confident	69	Low	168 Å²	168	105.2 Å²	105.2	83%	0.828	66%	0.662	S	S	*	*	H	α-helix	trans	-65.4	-36.5	-179.4	-162.5	174	-168.7	0	0	112.9	G268 N274	G268-M270 PolarHBondContact O-N 3.01Å; M270-N274 WeakPolarHBondContact O-CB 3.27Å; M270-N274 PolarHBondContact O-N 3.37Å
271	E	84.9	Confident	71.3	Confident	123 Å²	123	110 Å²	110	58%	0.575	66%	0.659	S	S	*	*	H	α-helix	trans	-71.5	-40	174.9	-169.2	-179.4	175.4	0	0	110.9	G268 L269 N274 K275	G268-E271 PolarHBondContact O-N 2.9Å; L269-E271 PolarHBondContact O-N 3.18Å; E271-N274 PolarHBondContact O-N 3Å; E271-K275 VanDerWaalsContact O-CB 3.32Å; E271-K275 WeakPolarHBondContact O-CB 3.29Å; E271-K275 PolarHBondContact O-N 2.9Å
272	E	82.6	Confident	72.4	Confident	135 Å²	135	112.6 Å²	112.6	63%	0.631	66%	0.657	S	S	*	*	H	α-helix	trans	-61.5	-44.4	174.4	-164.4	-167.6	150.5	0	0	111.6	L269 K275 L276	L269-E272 PolarHBondContact O-N 3.08Å; E272-K275 WeakPolarHBondContact O-CB 3.43Å; E272-K275 PolarHBondContact O-N 3.44Å; E272-L276 WeakPolarHBondContact O-CB 3.45Å; E272-L276 PolarHBondContact O-N 2.76Å
273	M	84.3	Confident	73	Confident	111 Å²	111	110.9 Å²	110.9	55%	0.547	65%	0.649	S	S	.	*	H	α-helix	trans	-68	-38.2	178.5	-158.2	-114.7	-172.5	0	0	111.9	L269 L276 L277	L269-M273 WeakPolarHBondContact O-CB 3.39Å; L269-M273 PolarHBondContact O-N 3.36Å; M273-L276 PolarHBondContact O-N 2.72Å; M273-L277 HydrophobicContact CE-CD1 4.23Å; M273-L277 WeakPolarHBondContact O-CB 3.49Å; M273-L277 WeakPolarHBondContact O-CG 3.41Å; M273-L277 PolarHBondContact O-N 3.32Å; M273-L277 HydrophobicContact SD-CD1 3.61Å; M273-L277 HydrophobicContact SD-CG 4.32Å
274	N	83.4	Confident	73.8	Confident	110 Å²	110	110.4 Å²	110.4	59%	0.588	64%	0.637	S	S	*	*	H	α-helix	trans	-63	-41.2	172.1	-169.6	28.6	0	0	0	111.7	M270 E271 L277 A278	M270-N274 WeakPolarHBondContact O-CB 3.27Å; M270-N274 PolarHBondContact O-N 3.37Å; E271-N274 PolarHBondContact O-N 3Å; N274-L277 PolarHBondContact O-N 3.49Å; N274-A278 WeakPolarHBondContact O-CB 3.27Å; N274-A278 PolarHBondContact O-N 2.9Å
275	K	83.4	Confident	74.3	Confident	157 Å²	157	110.8 Å²	110.8	68%	0.683	63%	0.627	S	S	*	*	H	α-helix	trans	-65.2	-38	175.4	-159.8	171.5	-169.7	170.7	0	112	E271 E272 K279	E271-K275 VanDerWaalsContact O-CB 3.32Å; E271-K275 WeakPolarHBondContact O-CB 3.29Å; E271-K275 PolarHBondContact O-N 2.9Å; E272-K275 WeakPolarHBondContact O-CB 3.43Å; E272-K275 PolarHBondContact O-N 3.44Å; K275-K279 WeakPolarHBondContact O-CB 3.33Å; K275-K279 PolarHBondContact O-N 3.43Å
276	L	85.8	Confident	74.3	Confident	76 Å²	76	115 Å²	115	40%	0.398	62%	0.623	S	S	.	*	H	α-helix	trans	-69	-40.4	174.5	-174	64.2	0	0	0	112.2	E272 M273 K279 R280	E272-L276 WeakPolarHBondContact O-CB 3.45Å; E272-L276 PolarHBondContact O-N 2.76Å; M273-L276 PolarHBondContact O-N 2.72Å; L276-K279 PolarHBondContact O-N 2.77Å; L276-R280 PolarHBondContact O-N 2.75Å
277	L	87.3	Confident	74.3	Confident	71 Å²	71	116.7 Å²	116.7	37%	0.372	62%	0.623	S	S	.	*	H	α-helix	trans	-63.1	-45.4	172.9	-78.5	165.7	0	0	0	111.5	M273 N274 K279 R280 R281	M273-L277 HydrophobicContact CE-CD1 4.23Å; M273-L277 WeakPolarHBondContact O-CB 3.49Å; M273-L277 WeakPolarHBondContact O-CG 3.41Å; M273-L277 PolarHBondContact O-N 3.32Å; M273-L277 HydrophobicContact SD-CD1 3.61Å; M273-L277 HydrophobicContact SD-CG 4.32Å; N274-L277 PolarHBondContact O-N 3.49Å; L277-K279 VanDerWaalsContact C-N 3.33Å; L277-K279 PolarHBondContact O-N 2.75Å; L277-R280 PolarHBondContact O-N 2.83Å; L277-R281 WeakPolarHBondContact O-CG 3.33Å; L277-R281 PolarHBondContact O-N 3.47Å
278	A	84	Confident	73.5	Confident	52 Å²	52	119.8 Å²	119.8	43%	0.43	62%	0.622	S	S	.	*	H	α-helix	trans	-61.1	-40.1	174.9	0	0	0	0	0	112.1	N274 R281 K282	N274-A278 WeakPolarHBondContact O-CB 3.27Å; N274-A278 PolarHBondContact O-N 2.9Å; A278-R281 PolarHBondContact O-N 2.89Å; A278-K282 PolarHBondContact O-N 2.51Å
279	K	84.8	Confident	71.6	Confident	157 Å²	157	127.6 Å²	127.6	68%	0.683	65%	0.645	S	S	*	*	H	α-helix	trans	-64.7	-41.8	174.9	-171.5	173	179.4	178.5	0	112.2	K275 L276 L277 K282 A283	K275-K279 WeakPolarHBondContact O-CB 3.33Å; K275-K279 PolarHBondContact O-N 3.43Å; L276-K279 PolarHBondContact O-N 2.77Å; L277-K279 VanDerWaalsContact C-N 3.33Å; L277-K279 PolarHBondContact O-N 2.75Å; K279-K282 PolarHBondContact O-N 3.5Å; K279-A283 PolarHBondContact O-N 3.48Å; K279-A283 VanDerWaalsContact O-N 3.12Å
280	R	84.2	Confident	70.1	Confident	155 Å²	155	126.3 Å²	126.3	59%	0.585	65%	0.645	S	S	*	*	H	α-helix	trans	-64.6	-42.4	174	-75.3	-173.6	178.4	118.2	-1.6	112.3	L276 L277 K282 A283 A284	L276-R280 PolarHBondContact O-N 2.75Å; L277-R280 PolarHBondContact O-N 2.83Å; R280-K282 PolarHBondContact O-N 3.39Å; R280-A283 PolarHBondContact O-N 2.85Å; R280-A284 WeakPolarHBondContact O-CB 3.46Å; R280-A284 PolarHBondContact O-N 3.49Å
281	R	84.8	Confident	67.9	Low	196 Å²	196	123 Å²	123	74%	0.74	65%	0.645	S	S	*	*	H	α-helix	trans	-59.8	-44	175.6	-73.5	-177.2	-178.7	-149.7	1.1	112.1	L277 A278 A283 A284 S285	L277-R281 WeakPolarHBondContact O-CG 3.33Å; L277-R281 PolarHBondContact O-N 3.47Å; A278-R281 PolarHBondContact O-N 2.89Å; R281-A283 VanDerWaalsContact C-N 3.33Å; R281-A283 PolarHBondContact O-N 2.88Å; R281-A284 PolarHBondContact O-N 2.83Å; R281-S285 PolarHBondContact O-N 3.12Å; R281-S285 VanDerWaalsContact O-N 3.17Å; R281-S285 PolarHBondContact O-OG 2.96Å
282	K	66.8	Low	65.6	Low	166 Å²	166	126.4 Å²	126.4	72%	0.722	66%	0.661	S	S	*	*	H	α-helix	trans	-67	-28.5	176	-77.4	-164.6	173	-169.1	0	114.3	A278 K279 R280 S285	A278-K282 PolarHBondContact O-N 2.51Å; K279-K282 PolarHBondContact O-N 3.5Å; R280-K282 PolarHBondContact O-N 3.39Å; K282-S285 PolarHBondContact O-OG 2.96Å
283	A	57.9	Low	63.5	Low	72 Å²	72	129.3 Å²	129.3	60%	0.595	67%	0.671	S	S	*	*	H	α-helix	trans	-77.1	-34.7	174.6	0	0	0	0	0	112.4	K279 R280 R281	K279-A283 PolarHBondContact O-N 3.48Å; K279-A283 VanDerWaalsContact O-N 3.12Å; R280-A283 PolarHBondContact O-N 2.85Å; R281-A283 VanDerWaalsContact C-N 3.33Å; R281-A283 PolarHBondContact O-N 2.88Å
284	A	55.1	Low	61.1	Low	74 Å²	74	132 Å²	132	61%	0.612	68%	0.68	S	S	*	*	H	α-helix	trans	-77.7	-17.4	178.7	0	0	0	0	0	114	R280 R281	R280-A284 WeakPolarHBondContact O-CB 3.46Å; R280-A284 PolarHBondContact O-N 3.49Å; R281-A284 PolarHBondContact O-N 2.83Å
285	S	57.9	Low	58.8	Low	89 Å²	89	134 Å²	134	62%	0.622	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	15.3	-178.3	70.5	0	0	0	0	114.7	R281 K282	R281-S285 PolarHBondContact O-N 3.12Å; R281-S285 VanDerWaalsContact O-N 3.17Å; R281-S285 PolarHBondContact O-OG 2.96Å; K282-S285 PolarHBondContact O-OG 2.96Å
286	Q	51.9	Low	56.4	Low	179 Å²	179	134.1 Å²	134.1	84%	0.836	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	4	176.2	-81.3	-165.2	-16.6	0	0	114.1
287	S	49.2	Very low	53.9	Low	105 Å²	105	138.6 Å²	138.6	73%	0.734	71%	0.712	S	S	*	*	S	Bend	trans	-126.3	35.8	-176.3	66.9	0	0	0	0	113.7
288	D	43.4	Very low	51.2	Low	140 Å²	140	140.7 Å²	140.7	75%	0.749	73%	0.733	S	S	*	*			trans	-146.8	107	169.3	-157.6	-71.4	0	0	0	112.2
289	K	35.1	Very low	48.8	Very low	203 Å²	203	147 Å²	147	88%	0.883	75%	0.754	S	S	*	*			trans	-160.1	123.3	144.5	-123	-178.9	178.5	-171.7	0	110.1
290	P	41.9	Very low	46.3	Very low	113 Å²	113	146.4 Å²	146.4	73%	0.734	76%	0.755	S	S	*	*			trans	-82.3	158.5	-175	33	-35.9	0	0	0	112.7
291	A	37.7	Very low	43.8	Very low	100 Å²	100	147.1 Å²	147.1	83%	0.826	77%	0.765	S	S	*	*			trans	-103.4	125	171.6	0	0	0	0	0	110.5
292	E	37.3	Very low	41.2	Very low	194 Å²	194	144 Å²	144	91%	0.907	76%	0.763	S	S	*	*			trans	-136.3	165.9	160.8	-76.5	-148.1	103.5	0	0	110.7
293	K	36.7	Very low	40	Very low	196 Å²	196	141.9 Å²	141.9	85%	0.852	77%	0.767	S	S	*	*			trans	-101.3	179.1	-145.9	-61	174.1	177.4	174.6	0	115.3
294	K	35.7	Very low	38.7	Very low	166 Å²	166	143 Å²	143	72%	0.722	77%	0.77	S	S	*	*			trans	91.9	140.9	170	-65.2	171.5	150.8	-81.5	0	114.2
295	E	34.5	Very low	37.4	Very low	154 Å²	154	146.5 Å²	146.5	72%	0.72	78%	0.784	S	S	*	*			cis	-162.4	146.7	-7.9	-115.3	154.1	167.5	0	0	106.6
296	D	31.8	Very low	36.3	Very low	158 Å²	158	147.5 Å²	147.5	85%	0.845	79%	0.791	S	S	*	*				-179.4	161.5	128	-158.5	-157.5	0	0	0	111.9
297	E	35.1	Very low	35.8	Very low	170 Å²	170	144.6 Å²	144.6	79%	0.794	79%	0.788	S	S	*	*			trans	-75.8	147.9	-171.5	-64.3	174.1	22.4	0	0	115.5
298	S	29.7	Very low	35.1	Very low	116 Å²	116	144.8 Å²	144.8	81%	0.811	79%	0.789	S	S	*	*				174	98.3	110.1	38	0	0	0	0	114.5
299	Q	33.8	Very low	35.8	Very low	184 Å²	184	144.5 Å²	144.5	86%	0.86	80%	0.795	S	S	*	*				41.6	132.1	124	-166	160.6	67.3	0	0	123.2
300	M	30.9	Very low	35.6	Very low	144 Å²	144	138.3 Å²	138.3	71%	0.709	79%	0.788	S	S	*	*			trans	94.8	101.5	149	-86.7	-177.1	127.2	0	0	123.5
301	E	32.2	Very low	35.1	Very low	170 Å²	170	139.3 Å²	139.3	79%	0.794	79%	0.792	S	S	*	*				78	129.4	128.8	-29.9	-137.4	123.3	0	0	123.8
302	D	29.8	Very low	34.9	Very low	132 Å²	132	146.1 Å²	146.1	71%	0.706	80%	0.797	S	S	*	*			trans	-74.7	154.3	155.9	-151.6	-119.3	0	0	0	108	S304	D302-S304 PolarHBondContact OD1-N 3.05Å
303	P	42.8	Very low	34.7	Very low	121 Å²	121	141.1 Å²	141.1	79%	0.786	79%	0.788	S	S	*	*				-145.1	140.4	71.9	32.3	-10.3	0	0	0	119
304	S	31.2	Very low	34.7	Very low	95 Å²	95	136.4 Å²	136.4	66%	0.664	79%	0.786	S	S	*	*			trans	23.2	127.1	138.8	-71.3	0	0	0	0	121.6	D302	D302-S304 PolarHBondContact OD1-N 3.05Å
305	T	27.9	Very low	34.5	Very low	148 Å²	148	134.4 Å²	134.4	91%	0.908	79%	0.793	S	S	*	*				-166	137.4	122.8	9.6	0	0	0	0	114.7
306	S	34.7	Very low	34.6	Very low	109 Å²	109	135.9 Å²	135.9	76%	0.762	80%	0.8	S	S	*	*			trans	-79.4	165.1	159	-134.4	0	0	0	0	109.4
307	P	40.2	Very low	36.1	Very low	119 Å²	119	133.5 Å²	133.5	77%	0.773	79%	0.793	S	S	*	*			cis	-148	-171.8	37.4	40.9	-18.2	0	0	0	117.4
308	S	35.8	Very low	36.8	Very low	109 Å²	109	131 Å²	131	76%	0.762	79%	0.792	S	S	*	*			trans	-104.7	-168	165.7	-30.5	0	0	0	0	110.5
309	P	57.6	Low	36.9	Very low	134 Å²	134	133.1 Å²	133.1	87%	0.87	79%	0.794	S	S	*	*			cis	-134.3	-179.2	-27.7	36	-17.1	0	0	0	114.5
310	G	30.1	Very low	36.8	Very low	72 Å²	72	128.9 Å²	128.9	74%	0.742	79%	0.785	S	S	*	*			trans	149	155.1	164.8	0	0	0	0	0	114.2
311	T	32.4	Very low	36.9	Very low	135 Å²	135	128.3 Å²	128.3	83%	0.828	80%	0.795	S	S	*	*			cis	-158.3	161.7	7.2	55.7	0	0	0	0	113.1
312	R	32.9	Very low	36.7	Very low	242 Å²	242	129.5 Å²	129.5	91%	0.913	80%	0.801	S	S	*	*			trans	19.5	156.6	142.6	-74.7	176	150.2	175.4	-8.7	122.6
313	A	32.6	Very low	36.8	Very low	89 Å²	89	127.3 Å²	127.3	74%	0.736	80%	0.8	S	S	*	*			cis	-171.8	156.9	-10.2	0	0	0	0	0	114.1
314	A	37.3	Very low	36.3	Very low	97 Å²	97	124.5 Å²	124.5	80%	0.802	79%	0.794	S	S	*	*			trans	25.5	135.5	149.4	0	0	0	0	0	125.8
315	S	30.8	Very low	36.9	Very low	125 Å²	125	131.3 Å²	131.3	87%	0.874	81%	0.805	S	S	*	*				-176.3	161.5	129.2	33.6	0	0	0	0	114.1
316	Q	37.3	Very low	37.9	Very low	184 Å²	184	132.2 Å²	132.2	86%	0.86	80%	0.796	S	S	*	*			trans	-147.1	179.9	-179.3	-94.8	-164.6	-19.2	0	0	108.8
317	P	62.8	Low	37.8	Very low	108 Å²	108	133 Å²	133	70%	0.701	80%	0.799	S	S	*	*				-122.2	-164.1	-56.6	41.7	-24.2	0	0	0	110.1
318	P	50.8	Low	38.2	Very low	118 Å²	118	137 Å²	137	77%	0.766	80%	0.799	S	S	*	*				-157.3	175.7	76.4	40.1	-17.5	0	0	0	118.3
319	N	30.9	Very low	38.2	Very low	160 Å²	160	140.5 Å²	140.5	86%	0.856	80%	0.803	S	S	*	*			trans	25.5	153.9	155.3	-90.3	6.1	0	0	0	123.7
320	S	32.8	Very low	37.1	Very low	96 Å²	96	145.7 Å²	145.7	67%	0.671	81%	0.805	S	S	*	*			cis	-177.6	143.9	-12.3	50.8	0	0	0	0	110.6
321	S	31.5	Very low	37.4	Very low	131 Å²	131	147.7 Å²	147.7	92%	0.916	81%	0.808	S	S	*	*			trans	175.6	161.2	146.7	42	0	0	0	0	113.5
322	E	28.7	Very low	37.3	Very low	196 Å²	196	149.3 Å²	149.3	92%	0.916	81%	0.812	S	S	*	*			trans	-86.4	177.4	-161.7	-82.5	177.5	61.5	0	0	118.5
323	A	31.3	Very low	37.4	Very low	85 Å²	85	143.3 Å²	143.3	70%	0.702	81%	0.807	S	S	*	*			trans	89.9	83.6	147.3	0	0	0	0	0	118.5
324	G	31.7	Very low	37.6	Very low	63 Å²	63	144.2 Å²	144.2	65%	0.649	80%	0.803	S	S	*	*			trans	-52.8	172.4	171.3	0	0	0	0	0	118.8
325	R	43.8	Very low	37.3	Very low	238 Å²	238	147 Å²	147	90%	0.898	80%	0.799	S	S	*	*			trans	176.9	153.8	151.4	-96.6	151.7	-111.3	-93.2	4.8	107.8
326	K	50.4	Low	37.4	Very low	167 Å²	167	148.7 Å²	148.7	73%	0.726	79%	0.791	S	S	*	*			trans	-92.2	150.3	-171.9	-60.1	146.5	-176	174.7	0	110.3	W328	K326-W328 VanDerWaalsContact C-N 3.34Å; K326-W328 HydrophobicContact CB-CE3 4.44Å; K326-W328 HydrophobicContact CB-CH2 4.33Å; K326-W328 HydrophobicContact CB-CZ2 4.4Å; K326-W328 HydrophobicContact CB-CZ3 4.35Å; K326-W328 HydrophobicContact CD-CZ2 4.47Å; K326-W328 PolarHBondContact O-N 2.84Å
327	P	31.8	Very low	37.2	Very low	126 Å²	126	146 Å²	146	82%	0.818	79%	0.789	S	S	*	*	S	Bend	trans	-80	1.9	-166.7	-16.3	32.7	0	0	0	117.2
328	W	48.2	Very low	35.7	Very low	202 Å²	202	147.3 Å²	147.3	77%	0.765	80%	0.795	S	S	*	*			trans	-112.5	78.5	-174.5	61.2	87.8	0	0	0	113.3	K326	K326-W328 VanDerWaalsContact C-N 3.34Å; K326-W328 HydrophobicContact CB-CE3 4.44Å; K326-W328 HydrophobicContact CB-CH2 4.33Å; K326-W328 HydrophobicContact CB-CZ2 4.4Å; K326-W328 HydrophobicContact CB-CZ3 4.35Å; K326-W328 HydrophobicContact CD-CZ2 4.47Å; K326-W328 PolarHBondContact O-N 2.84Å
329	E	35.8	Very low	35	Very low	183 Å²	183	147 Å²	147	86%	0.855	80%	0.796	S	S	*	*			trans	-142.9	151.5	156.4	-99.4	-152.8	119.2	0	0	111.8
330	R	34.2	Very low	34.9	Very low	243 Å²	243	144.6 Å²	144.6	92%	0.917	79%	0.791	S	S	*	*			trans	81.5	130	-171.6	-53	-178.6	179.7	-160.8	-1.5	113.8
331	S	37	Very low	35	Very low	113 Å²	113	147 Å²	147	79%	0.79	80%	0.795	S	S	*	*			cis	-134.9	135.2	11	-68.8	0	0	0	0	113.4
332	N	30.1	Very low	35.2	Very low	170 Å²	170	149 Å²	149	91%	0.909	79%	0.794	S	S	*	*			trans	-71.3	141	153.1	-122.7	-6.2	0	0	0	108.3
333	S	34.7	Very low	35.4	Very low	116 Å²	116	145.1 Å²	145.1	81%	0.811	79%	0.789	S	S	*	*			trans	-126.2	120.1	155.9	-166.3	0	0	0	0	108.5
334	V	37.3	Very low	35.5	Very low	107 Å²	107	152.9 Å²	152.9	65%	0.648	80%	0.8	S	S	*	*			trans	-75.8	146.5	170.5	66.9	0	0	0	0	109
335	E	31.8	Very low	35.6	Very low	156 Å²	156	155.6 Å²	155.6	73%	0.729	80%	0.804	S	S	*	*			trans	-159.8	156.3	133.9	-97.7	-38.9	126.7	0	0	110.3
336	K	33	Very low	35.5	Very low	160 Å²	160	150.5 Å²	150.5	70%	0.696	80%	0.802	S	S	*	*			trans	-91.2	153	-163.1	-62.2	149.3	-177.3	157.5	0	113.4
337	P	33.2	Very low	34.4	Very low	128 Å²	128	147.9 Å²	147.9	83%	0.831	81%	0.805	S	S	*	*			trans	-80.2	136.6	161.2	33.3	-31.1	0	0	0	110.6
338	V	31.4	Very low	34.7	Very low	136 Å²	136	148.1 Å²	148.1	82%	0.824	80%	0.804	S	S	*	*			trans	-127.8	140.9	164.4	-176.8	0	0	0	0	109.5
339	S	34.8	Very low	33.8	Very low	111 Å²	111	143.3 Å²	143.3	78%	0.776	81%	0.807	S	S	*	*			trans	-67.9	148.2	-164.6	-41.9	0	0	0	0	115.9
340	S	29.6	Very low	33.9	Very low	110 Å²	110	143.9 Å²	143.9	77%	0.769	81%	0.807	S	S	*	*			trans	-148.6	93.5	143.9	-153.6	0	0	0	0	107.8
341	I	34.6	Very low	33.6	Very low	146 Å²	146	137.6 Å²	137.6	75%	0.749	80%	0.8	S	S	*	*				56.3	97.9	101.2	-53.4	158.6	0	0	0	112.3
342	L	35.2	Very low	33.6	Very low	172 Å²	172	137.3 Å²	137.3	90%	0.901	80%	0.795	S	S	*	*				-165.5	127.2	129.7	-100.5	-176.4	0	0	0	109.4
343	S	34.3	Very low	33.4	Very low	116 Å²	116	138.9 Å²	138.9	81%	0.811	80%	0.798	S	S	*	*			trans	-99.4	127.3	178	-51.8	0	0	0	0	110.5
344	R	32.3	Very low	33.3	Very low	247 Å²	247	137.8 Å²	137.8	93%	0.932	80%	0.796	S	S	*	*			trans	-161.7	154.9	145.4	-115.7	166.7	-172.8	-108.6	-0.3	113.9
345	T	35.2	Very low	33.3	Very low	120 Å²	120	142.7 Å²	142.7	74%	0.736	81%	0.808	S	S	*	*			trans	-74.7	162	-168.3	43.9	0	0	0	0	114.2
346	P	41.1	Very low	33.3	Very low	131 Å²	131	140.5 Å²	140.5	85%	0.851	81%	0.81	S	S	*	*			trans	-69.5	135.8	176.9	30.1	-35.3	0	0	0	111
347	S	26.8	Very low	33.8	Very low	112 Å²	112	138.4 Å²	138.4	78%	0.783	81%	0.813	S	S	*	*			trans	-109.7	120.3	163.3	-163.9	0	0	0	0	109.6	A349	S347-A349 PolarHBondContact O-N 3.3Å
348	V	37.6	Very low	34.1	Very low	131 Å²	131	140.5 Å²	140.5	79%	0.794	82%	0.816	S	S	*	*			trans	-54.8	133.4	156.2	157.7	0	0	0	0	108.4	K350	V348-K350 HydrophobicContact CG1-CB 4.23Å
349	A	29.8	Very low	34.2	Very low	101 Å²	101	142.4 Å²	142.4	84%	0.835	82%	0.816	S	S	*	*			trans	-125.8	83.5	162.3	0	0	0	0	0	107.8	S347	S347-A349 PolarHBondContact O-N 3.3Å
350	K	38.6	Very low	34.1	Very low	195 Å²	195	142.4 Å²	142.4	85%	0.848	82%	0.816	S	S	*	*			trans	-91.2	102.2	161.4	-148.3	177.2	-172	-178.1	0	105.2	V348	V348-K350 HydrophobicContact CG1-CB 4.23Å
351	S	28	Very low	34.3	Very low	111 Å²	111	145.3 Å²	145.3	78%	0.776	82%	0.817	S	S	*	*			trans	-66.5	136	178.1	-165.2	0	0	0	0	109.6
352	P	35.6	Very low	35.2	Very low	107 Å²	107	142.3 Å²	142.3	70%	0.695	81%	0.808	S	S	*	*			trans	-82.7	156	171.4	35	-33.7	0	0	0	110.3
353	E	27.2	Very low	35.1	Very low	204 Å²	204	142.2 Å²	142.2	95%	0.953	80%	0.802	S	S	*	*			trans	-123.5	134.4	146.2	-88.5	-166.4	76.8	0	0	109.5
354	A	31.6	Very low	35	Very low	93 Å²	93	142.9 Å²	142.9	77%	0.769	81%	0.806	S	S	*	*			trans	-99.3	144.9	-169.4	0	0	0	0	0	111
355	K	38.2	Very low	35.4	Very low	209 Å²	209	141.3 Å²	141.3	91%	0.909	80%	0.801	S	S	*	*			trans	-78.9	132.4	159.1	-64.7	-178.7	179.5	-179.5	0	108.7
356	S	31.8	Very low	35.5	Very low	110 Å²	110	144.5 Å²	144.5	77%	0.769	81%	0.809	S	S	*	*			trans	-161	162.6	166.3	-142	0	0	0	0	109.5
357	P	43.2	Very low	35.4	Very low	116 Å²	116	147.2 Å²	147.2	75%	0.753	81%	0.808	S	S	*	*				-122.4	176.4	-77.2	36	-23.1	0	0	0	112.5
358	L	40.2	Very low	36.6	Very low	172 Å²	172	147.9 Å²	147.9	90%	0.901	81%	0.809	S	S	*	*			trans	-65.2	141.5	171.4	-67.1	109.6	0	0	0	111.6
359	Q	32.5	Very low	36.5	Very low	177 Å²	177	146.8 Å²	146.8	83%	0.827	81%	0.814	S	S	*	*				-175.6	141.5	120.4	-161.5	160.9	-3	0	0	113
360	S	32.5	Very low	36.9	Very low	111 Å²	111	145.7 Å²	145.7	78%	0.776	81%	0.813	S	S	*	*			trans	56	125.6	158.6	52.1	0	0	0	0	122.4
361	Q	33.2	Very low	37.3	Very low	170 Å²	170	140.9 Å²	140.9	79%	0.794	80%	0.803	S	S	*	*			trans	-66	178.7	162	-117.6	-149.5	-13.1	0	0	112.8
362	P	54.2	Low	38.5	Very low	84 Å²	84	142.5 Å²	142.5	55%	0.545	81%	0.808	S	S	.	*			cis	-144.3	178.4	12	35	-11.1	0	0	0	119.3
363	H	33.9	Very low	39.3	Very low	170 Å²	170	142.7 Å²	142.7	79%	0.787	80%	0.804	S	S	*	*			trans	58.3	117	158.7	-41.8	-57.7	0	0	0	121.4
364	S	32.4	Very low	40.5	Very low	129 Å²	129	139.2 Å²	139.2	90%	0.902	79%	0.792	S	S	*	*				-166.7	146.3	105.7	-162.7	0	0	0	0	113.7
365	R	40	Very low	41.8	Very low	215 Å²	215	143 Å²	143	81%	0.811	80%	0.795	S	S	*	*			trans	-77.5	134.1	-169	163.8	-171.7	-175.2	143.6	-5.1	114.5
366	M	38.1	Very low	42.7	Very low	186 Å²	186	135.3 Å²	135.3	92%	0.916	77%	0.771	S	S	*	*			trans	-155.9	157.6	136.8	-94.1	-64.1	159.3	0	0	109.5
367	K	37.5	Very low	44	Very low	189 Å²	189	135.2 Å²	135.2	82%	0.822	76%	0.761	S	S	*	*			trans	-86.9	159.1	-163.6	-78.1	-178.4	172.8	-176	0	114.8
368	P	51.8	Low	45.4	Very low	125 Å²	125	135.5 Å²	135.5	81%	0.812	76%	0.756	S	S	*	*			trans	-88.6	151.9	177.5	36.3	-35.2	0	0	0	113.6
369	A	36.3	Very low	47	Very low	109 Å²	109	129.8 Å²	129.8	90%	0.901	73%	0.734	S	S	*	*			trans	-160	137.5	162.1	0	0	0	0	0	110.9
370	G	39.2	Very low	49.6	Very low	78 Å²	78	128.7 Å²	128.7	80%	0.804	73%	0.727	S	S	*	*			trans	118.8	98.2	158.5	0	0	0	0	0	118
371	S	45.7	Very low	52	Low	93 Å²	93	127.7 Å²	127.7	65%	0.65	71%	0.713	S	S	*	*			trans	52.8	113.3	151.8	-153.2	0	0	0	0	121.1	N373	S371-N373 PolarHBondContact OG-N 2.81Å
372	V	54.1	Low	54.6	Low	145 Å²	145	125 Å²	125	88%	0.879	70%	0.704	S	S	*	*	S	Bend	trans	-106.8	14.6	160.7	-67.4	0	0	0	0	112.6
373	N	51.5	Low	56.3	Low	111 Å²	111	125.3 Å²	125.3	59%	0.594	70%	0.7	S	S	*	*			trans	-94.3	-9.8	-172.1	-84.9	-14.7	0	0	0	115.1	S371	S371-N373 PolarHBondContact OG-N 2.81Å
374	D	52.1	Low	59.1	Low	131 Å²	131	125.1 Å²	125.1	70%	0.701	69%	0.693	S	S	*	*	H	α-helix	trans	-71.2	-51.2	-166.8	-149.7	-117.1	0	0	0	112.8	A376 L377	D374-A376 PolarHBondContact O-N 3.49Å; D374-L377 PolarHBondContact O-N 3.05Å
375	M	59.7	Low	62	Low	173 Å²	173	124.2 Å²	124.2	85%	0.852	68%	0.675	S	S	*	*	H	α-helix	trans	-68.9	-15.4	179.5	-66.4	-163.8	78.5	0	0	114.6
376	A	57.6	Low	64.6	Low	48 Å²	48	120.1 Å²	120.1	40%	0.397	66%	0.664	S	S	.	*	H	α-helix	trans	-81.1	-39.1	178.8	0	0	0	0	0	111.6	D374 F380	D374-A376 PolarHBondContact O-N 3.49Å; A376-F380 WeakPolarHBondContact O-CD2 3.38Å; A376-F380 PolarHBondContact O-N 3.36Å
377	L	59.4	Low	67.3	Low	108 Å²	108	115.8 Å²	115.8	57%	0.565	64%	0.641	S	S	*	*	H	α-helix	trans	-68.1	-44.6	-179.8	-70.6	172.6	0	0	0	111.8	D374 A379 F380 D381	D374-L377 PolarHBondContact O-N 3.05Å; L377-A379 PolarHBondContact O-N 3.09Å; L377-F380 PolarHBondContact O-N 3.49Å; L377-D381 PolarHBondContact O-N 3.41Å
378	D	70.8	Confident	70.1	Confident	121 Å²	121	112.7 Å²	112.7	65%	0.647	63%	0.63	S	S	*	*	H	α-helix	trans	-57.7	-35.7	-179.9	-161.8	73.3	0	0	0	112.7	L382	D378-L382 VanDerWaalsContact O-CB 3.3Å; D378-L382 WeakPolarHBondContact O-CB 3.49Å; D378-L382 PolarHBondContact O-N 3.23Å
379	A	75.3	Confident	72.1	Confident	52 Å²	52	111.4 Å²	111.4	43%	0.43	62%	0.615	S	S	.	*	H	α-helix	trans	-68.5	-42	174.5	0	0	0	0	0	113	L377 L382 D383	L377-A379 PolarHBondContact O-N 3.09Å; A379-L382 PolarHBondContact O-N 3.24Å; A379-D383 PolarHBondContact O-N 3.36Å
380	F	85.9	Confident	75	Confident	154 Å²	154	111 Å²	111	68%	0.675	60%	0.597	S	S	*	*	H	α-helix	trans	-69.2	-34.3	176	-77.8	-66.4	0	0	0	112.5	A376 L377 R384	A376-F380 WeakPolarHBondContact O-CD2 3.38Å; A376-F380 PolarHBondContact O-N 3.36Å; L377-F380 PolarHBondContact O-N 3.49Å; F380-R384 VanDerWaalsContact O-CB 3.24Å; F380-R384 WeakPolarHBondContact O-CB 3.27Å; F380-R384 PolarHBondContact O-N 3.47Å
381	D	83.9	Confident	77.8	Confident	91 Å²	91	112.4 Å²	112.4	49%	0.487	58%	0.583	S	S	.	*	H	α-helix	trans	-73	-33.4	175	-75	-32.7	0	0	0	112.1	L377 R384 M385	L377-D381 PolarHBondContact O-N 3.41Å; D381-R384 PolarHBondContact O-N 2.7Å; D381-R384 IonicContact OD1-NE 3.96Å; D381-M385 WeakPolarHBondContact O-CB 3.45Å; D381-M385 PolarHBondContact O-N 2.92Å
382	L	87.5	Confident	80.1	Confident	114 Å²	114	111.5 Å²	111.5	60%	0.597	57%	0.568	S	S	*	*	H	α-helix	trans	-67.3	-44.6	172	-176.3	62.8	0	0	0	112.4	D378 A379 R384 M385 K386	D378-L382 VanDerWaalsContact O-CB 3.3Å; D378-L382 WeakPolarHBondContact O-CB 3.49Å; D378-L382 PolarHBondContact O-N 3.23Å; A379-L382 PolarHBondContact O-N 3.24Å; L382-R384 VanDerWaalsContact C-N 3.34Å; L382-M385 PolarHBondContact O-N 3.05Å; L382-K386 VanDerWaalsContact O-CB 3.3Å; L382-K386 WeakPolarHBondContact O-CB 3.37Å; L382-K386 PolarHBondContact O-N 2.81Å
383	D	89.6	Confident	82.2	Confident	90 Å²	90	108.5 Å²	108.5	48%	0.481	55%	0.55	S	S	.	*	H	α-helix	trans	-68.2	-32.6	174.7	-93.8	-49.6	0	0	0	112	A379 K386 Q387	A379-D383 PolarHBondContact O-N 3.36Å; D383-K386 IonicContact OD1-NZ 2.7Å; D383-K386 PolarHBondContact OD1-NZ 3.13Å; D383-Q387 WeakPolarHBondContact O-CB 3.5Å; D383-Q387 PolarHBondContact O-N 3.44Å
384	R	92.9	Very high	84.4	Confident	165 Å²	165	106.8 Å²	106.8	62%	0.623	54%	0.544	S	S	*	.	H	α-helix	trans	-61.6	-51.7	169.7	175.9	-175.8	-60.6	-72	-4.2	111.7	F380 D381 L382 K386 Q387 E388	F380-R384 VanDerWaalsContact O-CB 3.24Å; F380-R384 WeakPolarHBondContact O-CB 3.27Å; F380-R384 PolarHBondContact O-N 3.47Å; D381-R384 PolarHBondContact O-N 2.7Å; D381-R384 IonicContact OD1-NE 3.96Å; L382-R384 VanDerWaalsContact C-N 3.34Å; R384-K386 VanDerWaalsContact C-N 3.29Å; R384-K386 PolarHBondContact O-N 2.95Å; R384-Q387 WeakPolarHBondContact O-CB 3.47Å; R384-Q387 PolarHBondContact O-N 3Å; R384-Q387 VanDerWaalsContact O-N 3.13Å; R384-E388 PolarHBondContact O-N 2.91Å
385	M	94.1	Very high	86.5	Confident	110 Å²	110	107 Å²	107	54%	0.542	54%	0.535	S	S	.	.	H	α-helix	trans	-60	-41.6	178.9	-178.9	-175.3	-66.1	0	0	111.1	D381 L382 E388 I389	D381-M385 WeakPolarHBondContact O-CB 3.45Å; D381-M385 PolarHBondContact O-N 2.92Å; L382-M385 PolarHBondContact O-N 3.05Å; M385-E388 PolarHBondContact O-N 2.89Å; M385-I389 HydrophobicContact CG-CD1 3.9Å; M385-I389 WeakPolarHBondContact O-CB 3.47Å; M385-I389 WeakPolarHBondContact O-CD1 3.48Å; M385-I389 VanDerWaalsContact O-CG1 3.23Å; M385-I389 WeakPolarHBondContact O-CG1 3.47Å; M385-I389 PolarHBondContact O-N 3.38Å
386	K	93	Very high	88.3	Confident	129 Å²	129	102.5 Å²	102.5	56%	0.561	51%	0.511	S	S	*	.	H	α-helix	trans	-62.2	-41.3	174.9	175.1	179.3	136.8	-141.6	0	112.2	L382 D383 R384 L390	L382-K386 VanDerWaalsContact O-CB 3.3Å; L382-K386 WeakPolarHBondContact O-CB 3.37Å; L382-K386 PolarHBondContact O-N 2.81Å; D383-K386 IonicContact OD1-NZ 2.7Å; D383-K386 PolarHBondContact OD1-NZ 3.13Å; R384-K386 VanDerWaalsContact C-N 3.29Å; R384-K386 PolarHBondContact O-N 2.95Å; K386-L390 WeakPolarHBondContact O-CB 3.38Å; K386-L390 PolarHBondContact O-N 2.74Å
387	Q	96	Very high	90.2	Very high	96 Å²	96	105.8 Å²	105.8	45%	0.449	52%	0.522	S	S	.	.	H	α-helix	trans	-65.4	-44.5	176.1	-176.8	61.6	26.8	0	0	111.4	D383 R384 L390 E391	D383-Q387 WeakPolarHBondContact O-CB 3.5Å; D383-Q387 PolarHBondContact O-N 3.44Å; R384-Q387 WeakPolarHBondContact O-CB 3.47Å; R384-Q387 PolarHBondContact O-N 3Å; R384-Q387 VanDerWaalsContact O-N 3.13Å; Q387-L390 PolarHBondContact O-N 3.09Å; Q387-E391 WeakPolarHBondContact CG-OE1 3.48Å; Q387-E391 PolarHBondContact NE2-OE1 3.17Å; Q387-E391 WeakPolarHBondContact O-CG 3.44Å; Q387-E391 PolarHBondContact O-N 3.34Å
388	E	94.9	Very high	92	Very high	123 Å²	123	105.8 Å²	105.8	58%	0.575	52%	0.518	S	S	*	.	H	α-helix	trans	-60.3	-45.5	176.1	-174.6	177.8	178.5	0	0	111.9	R384 M385 L390 E391 E392	R384-E388 PolarHBondContact O-N 2.91Å; M385-E388 PolarHBondContact O-N 2.89Å; E388-L390 VanDerWaalsContact C-N 3.33Å; E388-L390 PolarHBondContact O-N 3.43Å; E388-E391 PolarHBondContact O-N 2.94Å; E388-E392 WeakPolarHBondContact O-CB 3.45Å; E388-E392 PolarHBondContact O-N 2.89Å
389	I	95.5	Very high	93.2	Very high	99 Å²	99	104.6 Å²	104.6	51%	0.508	51%	0.508	S	S	.	.	H	α-helix	trans	-60.7	-41.9	173.8	-69.4	164.6	0	0	0	111.1	M385 E392 V393	M385-I389 HydrophobicContact CG-CD1 3.9Å; M385-I389 WeakPolarHBondContact O-CB 3.47Å; M385-I389 WeakPolarHBondContact O-CD1 3.48Å; M385-I389 VanDerWaalsContact O-CG1 3.23Å; M385-I389 WeakPolarHBondContact O-CG1 3.47Å; M385-I389 PolarHBondContact O-N 3.38Å; I389-E392 PolarHBondContact O-N 3.24Å; I389-V393 HydrophobicContact CG2-CG2 4.38Å; I389-V393 WeakPolarHBondContact O-CB 3.38Å; I389-V393 VanDerWaalsContact O-CG2 3.27Å; I389-V393 WeakPolarHBondContact O-CG2 3.47Å; I389-V393 PolarHBondContact O-N 3.1Å
390	L	96.7	Very high	94.3	Very high	101 Å²	101	105.2 Å²	105.2	53%	0.529	51%	0.506	S	S	.	.	H	α-helix	trans	-68	-39.6	-179.1	-156.8	73.4	0	0	0	111.5	K386 Q387 E388 V394	K386-L390 WeakPolarHBondContact O-CB 3.38Å; K386-L390 PolarHBondContact O-N 2.74Å; Q387-L390 PolarHBondContact O-N 3.09Å; E388-L390 VanDerWaalsContact C-N 3.33Å; E388-L390 PolarHBondContact O-N 3.43Å; L390-V394 WeakPolarHBondContact O-CB 3.23Å; L390-V394 VanDerWaalsContact O-CG2 3.25Å; L390-V394 WeakPolarHBondContact O-CG2 3.46Å; L390-V394 PolarHBondContact O-N 3.4Å
391	E	97.1	Very high	94.8	Very high	107 Å²	107	102.6 Å²	102.6	50%	0.5	49%	0.494	S	S	.	.	H	α-helix	trans	-66.2	-40.9	174.2	-73.9	174.8	-164.1	0	0	112.1	Q387 E388 V394 R395	Q387-E391 WeakPolarHBondContact CG-OE1 3.48Å; Q387-E391 PolarHBondContact NE2-OE1 3.17Å; Q387-E391 WeakPolarHBondContact O-CG 3.44Å; Q387-E391 PolarHBondContact O-N 3.34Å; E388-E391 PolarHBondContact O-N 2.94Å; E391-V394 PolarHBondContact O-N 2.85Å; E391-R395 VanDerWaalsContact O-CB 3.29Å; E391-R395 WeakPolarHBondContact O-CB 3.37Å; E391-R395 PolarHBondContact O-N 3.19Å
392	E	95.3	Very high	95.5	Very high	73 Å²	73	101.9 Å²	101.9	34%	0.341	49%	0.488	S	S	.	.	H	α-helix	trans	-62.1	-47.9	173.7	-168.8	63.1	-108.3	0	0	111.7	E388 I389 V394 R395 E396	E388-E392 WeakPolarHBondContact O-CB 3.45Å; E388-E392 PolarHBondContact O-N 2.89Å; I389-E392 PolarHBondContact O-N 3.24Å; E392-V394 PolarHBondContact O-N 2.83Å; E392-R395 VanDerWaalsContact CD-CZ 3.42Å; E392-R395 VanDerWaalsContact CD-NH2 3.31Å; E392-R395 WeakPolarHBondContact O-CB 3.19Å; E392-R395 PolarHBondContact O-N 3.15Å; E392-R395 VanDerWaalsContact O-N 3.15Å; E392-R395 IonicContact OE1-CZ 3.93Å; E392-R395 IonicContact OE1-NE 2.81Å; E392-R395 IonicContact OE1-NH1 3.56Å; E392-R395 PolarHBondContact OE1-NH1 2.94Å; E392-R395 IonicContact OE1-NH2 2.89Å; E392-R395 IonicContact OE2-CZ 2.75Å; E392-R395 IonicContact OE2-NH1 2.77Å; E392-R395 PolarHBondContact OE2-NH1 3.42Å; E392-R395 IonicContact OE2-NH2 3.21Å; E392-R395 PolarHBondContact OE2-NH2 2.92Å; E392-E396 PolarHBondContact O-N 3.45Å
393	V	97.1	Very high	95.9	Very high	83 Å²	83	101.7 Å²	101.7	50%	0.503	48%	0.484	S	S	.	.	H	α-helix	trans	-61.3	-43.5	176.7	168.6	0	0	0	0	111.2	I389 R395 L397	I389-V393 HydrophobicContact CG2-CG2 4.38Å; I389-V393 WeakPolarHBondContact O-CB 3.38Å; I389-V393 VanDerWaalsContact O-CG2 3.27Å; I389-V393 WeakPolarHBondContact O-CG2 3.47Å; I389-V393 PolarHBondContact O-N 3.1Å; V393-R395 VanDerWaalsContact C-N 3.3Å; V393-R395 PolarHBondContact O-N 3.45Å; V393-L397 WeakPolarHBondContact O-CB 3.32Å; V393-L397 PolarHBondContact O-N 3.02Å
394	V	97.3	Very high	96.2	Very high	75 Å²	75	101.9 Å²	101.9	46%	0.455	48%	0.484	S	S	.	.	H	α-helix	trans	-63.7	-37.2	176.1	168.6	0	0	0	0	111.3	L390 E391 E392 H398	L390-V394 WeakPolarHBondContact O-CB 3.23Å; L390-V394 VanDerWaalsContact O-CG2 3.25Å; L390-V394 WeakPolarHBondContact O-CG2 3.46Å; L390-V394 PolarHBondContact O-N 3.4Å; E391-V394 PolarHBondContact O-N 2.85Å; E392-V394 PolarHBondContact O-N 2.83Å; V394-H398 PolarHBondContact O-N 2.88Å; V394-H398 PolarHBondContact O-ND1 3.32Å
395	R	97.4	Very high	96.4	Very high	136 Å²	136	96.4 Å²	96.4	51%	0.513	47%	0.467	S	S	.	.	H	α-helix	trans	-68.4	-49	178.8	-160.8	-165	-41.4	138.3	13.3	112.1	E391 E392 V393 L397 H398 K399	E391-R395 VanDerWaalsContact O-CB 3.29Å; E391-R395 WeakPolarHBondContact O-CB 3.37Å; E391-R395 PolarHBondContact O-N 3.19Å; E392-R395 VanDerWaalsContact CD-CZ 3.42Å; E392-R395 VanDerWaalsContact CD-NH2 3.31Å; E392-R395 WeakPolarHBondContact O-CB 3.19Å; E392-R395 PolarHBondContact O-N 3.15Å; E392-R395 VanDerWaalsContact O-N 3.15Å; E392-R395 IonicContact OE1-CZ 3.93Å; E392-R395 IonicContact OE1-NE 2.81Å; E392-R395 IonicContact OE1-NH1 3.56Å; E392-R395 PolarHBondContact OE1-NH1 2.94Å; E392-R395 IonicContact OE1-NH2 2.89Å; E392-R395 IonicContact OE2-CZ 2.75Å; E392-R395 IonicContact OE2-NH1 2.77Å; E392-R395 PolarHBondContact OE2-NH1 3.42Å; E392-R395 IonicContact OE2-NH2 3.21Å; E392-R395 PolarHBondContact OE2-NH2 2.92Å; V393-R395 VanDerWaalsContact C-N 3.3Å; V393-R395 PolarHBondContact O-N 3.45Å; R395-L397 VanDerWaalsContact C-N 3.33Å; R395-L397 PolarHBondContact O-N 2.92Å; R395-H398 PolarHBondContact O-N 3.02Å; R395-K399 WeakPolarHBondContact O-CB 3.35Å; R395-K399 PolarHBondContact O-N 3.09Å
396	E	96.3	Very high	96.4	Very high	78 Å²	78	95.2 Å²	95.2	36%	0.364	46%	0.462	S	S	.	.	H	α-helix	trans	-64.4	-36.3	175.6	-83.9	-65.8	151.6	0	0	111.8	E392 H398 K399 V400	E392-E396 PolarHBondContact O-N 3.45Å; E396-H398 PolarHBondContact O-N 3.43Å; E396-K399 PolarHBondContact O-N 3.34Å; E396-K399 IonicContact OE1-NZ 2.69Å; E396-K399 PolarHBondContact OE1-NZ 2.95Å; E396-K399 IonicContact OE2-NZ 3.63Å; E396-K399 PolarHBondContact OE2-NZ 3.2Å; E396-V400 WeakPolarHBondContact O-CB 3.49Å; E396-V400 WeakPolarHBondContact O-CG2 3.31Å; E396-V400 PolarHBondContact O-N 3.21Å
397	L	97.6	Very high	96.5	Very high	117 Å²	117	91.5 Å²	91.5	61%	0.613	46%	0.455	S	S	*	.	H	α-helix	trans	-65.5	-39.4	175.1	-155.5	165.8	0	0	0	111.5	V393 R395 K401	V393-L397 WeakPolarHBondContact O-CB 3.32Å; V393-L397 PolarHBondContact O-N 3.02Å; R395-L397 VanDerWaalsContact C-N 3.33Å; R395-L397 PolarHBondContact O-N 2.92Å; L397-K401 VanDerWaalsContact O-CB 3.31Å; L397-K401 WeakPolarHBondContact O-CB 3.3Å; L397-K401 PolarHBondContact O-N 3.42Å
398	H	97.4	Very high	96.4	Very high	107 Å²	107	91.5 Å²	91.5	50%	0.495	46%	0.458	S	S	.	.	H	α-helix	trans	-64.7	-41.3	171.2	-80.2	90.6	0	0	0	112.5	V394 R395 E396 K401 E402	V394-H398 PolarHBondContact O-N 2.88Å; V394-H398 PolarHBondContact O-ND1 3.32Å; R395-H398 PolarHBondContact O-N 3.02Å; E396-H398 PolarHBondContact O-N 3.43Å; H398-K401 WeakPolarHBondContact O-CB 3.48Å; H398-K401 PolarHBondContact O-N 3.45Å; H398-E402 PolarHBondContact O-N 3.28Å
399	K	97.1	Very high	96.2	Very high	97 Å²	97	92.5 Å²	92.5	42%	0.422	46%	0.456	S	S	.	.	H	α-helix	trans	-61.8	-50.6	176.7	171.4	169.3	153.4	-105.8	0	111.9	R395 E396 K401 E402 E403	R395-K399 WeakPolarHBondContact O-CB 3.35Å; R395-K399 PolarHBondContact O-N 3.09Å; E396-K399 PolarHBondContact O-N 3.34Å; E396-K399 IonicContact OE1-NZ 2.69Å; E396-K399 PolarHBondContact OE1-NZ 2.95Å; E396-K399 IonicContact OE2-NZ 3.63Å; E396-K399 PolarHBondContact OE2-NZ 3.2Å; K399-K401 VanDerWaalsContact C-N 3.27Å; K399-K401 PolarHBondContact O-N 3.46Å; K399-E402 PolarHBondContact O-N 3.47Å; K399-E402 VanDerWaalsContact O-N 3.13Å; K399-E403 WeakPolarHBondContact CE-OE1 3.47Å; K399-E403 WeakPolarHBondContact O-CG 3.34Å; K399-E403 PolarHBondContact O-N 3.32Å
400	V	97.9	Very high	96	Very high	64 Å²	64	94.6 Å²	94.6	39%	0.388	46%	0.464	S	S	.	.	H	α-helix	trans	-59.8	-37.3	175	170.9	0	0	0	0	111.5	E396 E403 I404	E396-V400 WeakPolarHBondContact O-CB 3.49Å; E396-V400 WeakPolarHBondContact O-CG2 3.31Å; E396-V400 PolarHBondContact O-N 3.21Å; V400-E403 PolarHBondContact O-N 3.39Å; V400-I404 HydrophobicContact CG1-CD1 3.81Å; V400-I404 HydrophobicContact CG1-CG1 4.44Å; V400-I404 WeakPolarHBondContact O-CB 3.3Å; V400-I404 VanDerWaalsContact O-CG1 3.24Å; V400-I404 WeakPolarHBondContact O-CG1 3.24Å; V400-I404 PolarHBondContact O-N 3.38Å
401	K	97.1	Very high	95.5	Very high	99 Å²	99	96.7 Å²	96.7	43%	0.43	47%	0.471	S	S	.	.	H	α-helix	trans	-60.8	-46.8	173.6	166.9	-178.7	167.5	-83.6	0	112	L397 H398 K399 I404 I405	L397-K401 VanDerWaalsContact O-CB 3.31Å; L397-K401 WeakPolarHBondContact O-CB 3.3Å; L397-K401 PolarHBondContact O-N 3.42Å; H398-K401 WeakPolarHBondContact O-CB 3.48Å; H398-K401 PolarHBondContact O-N 3.45Å; K399-K401 VanDerWaalsContact C-N 3.27Å; K399-K401 PolarHBondContact O-N 3.46Å; K401-I404 PolarHBondContact O-N 3.17Å; K401-I405 HydrophobicContact CG-CD1 3.87Å; K401-I405 VanDerWaalsContact O-CG1 3.27Å; K401-I405 WeakPolarHBondContact O-CG1 3.18Å; K401-I405 PolarHBondContact O-N 3.35Å
402	E	97.2	Very high	94.8	Very high	77 Å²	77	96.2 Å²	96.2	36%	0.36	47%	0.471	S	S	.	.	H	α-helix	trans	-68.7	-39.4	178.2	-61.8	-49.8	124.4	0	0	111.7	H398 K399 I404 I405 D406	H398-E402 PolarHBondContact O-N 3.28Å; K399-E402 PolarHBondContact O-N 3.47Å; K399-E402 VanDerWaalsContact O-N 3.13Å; E402-I404 VanDerWaalsContact C-N 3.32Å; E402-I404 PolarHBondContact O-N 2.98Å; E402-I405 PolarHBondContact O-N 3.35Å; E402-I405 VanDerWaalsContact O-N 3.12Å; E402-D406 PolarHBondContact O-N 2.85Å
403	E	96.5	Very high	94	Very high	109 Å²	109	96.2 Å²	96.2	51%	0.509	48%	0.479	S	S	.	.	H	α-helix	trans	-57.7	-41.8	172.8	-72.9	176	-169.1	0	0	112.1	K399 V400 A407	K399-E403 WeakPolarHBondContact CE-OE1 3.47Å; K399-E403 WeakPolarHBondContact O-CG 3.34Å; K399-E403 PolarHBondContact O-N 3.32Å; V400-E403 PolarHBondContact O-N 3.39Å; E403-A407 WeakPolarHBondContact O-CB 3.42Å; E403-A407 PolarHBondContact O-N 2.95Å
404	I	96.6	Very high	92.7	Very high	94 Å²	94	94.7 Å²	94.7	48%	0.482	48%	0.48	S	S	.	.	H	α-helix	trans	-66.5	-41.5	174.5	-70.6	166.7	0	0	0	111.4	V400 K401 E402 A407 I408	V400-I404 HydrophobicContact CG1-CD1 3.81Å; V400-I404 HydrophobicContact CG1-CG1 4.44Å; V400-I404 WeakPolarHBondContact O-CB 3.3Å; V400-I404 VanDerWaalsContact O-CG1 3.24Å; V400-I404 WeakPolarHBondContact O-CG1 3.24Å; V400-I404 PolarHBondContact O-N 3.38Å; K401-I404 PolarHBondContact O-N 3.17Å; E402-I404 VanDerWaalsContact C-N 3.32Å; E402-I404 PolarHBondContact O-N 2.98Å; I404-A407 PolarHBondContact O-N 3.38Å; I404-I408 HydrophobicContact CG2-CD1 3.79Å; I404-I408 WeakPolarHBondContact O-CB 3.44Å; I404-I408 VanDerWaalsContact O-CG1 3.26Å; I404-I408 WeakPolarHBondContact O-CG1 3.49Å; I404-I408 PolarHBondContact O-N 3.47Å
405	I	96.6	Very high	91	Very high	51 Å²	51	96.5 Å²	96.5	26%	0.262	49%	0.486	S	S	.	.	H	α-helix	trans	-62.9	-43.5	177.9	-73.9	166.8	0	0	0	110.6	K401 E402 I408 R409	K401-I405 HydrophobicContact CG-CD1 3.87Å; K401-I405 VanDerWaalsContact O-CG1 3.27Å; K401-I405 WeakPolarHBondContact O-CG1 3.18Å; K401-I405 PolarHBondContact O-N 3.35Å; E402-I405 PolarHBondContact O-N 3.35Å; E402-I405 VanDerWaalsContact O-N 3.12Å; I405-I408 PolarHBondContact O-N 3.12Å; I405-R409 VanDerWaalsContact O-CG 3.3Å; I405-R409 WeakPolarHBondContact O-CG 3.47Å; I405-R409 PolarHBondContact O-N 3.47Å
406	D	94.8	Very high	89.2	Confident	85 Å²	85	94.6 Å²	94.6	46%	0.455	49%	0.494	S	S	.	.	H	α-helix	trans	-71.8	-36.3	179.6	-76.6	-18	0	0	0	112.3	E402 I408 R409 Q410	E402-D406 PolarHBondContact O-N 2.85Å; D406-I408 PolarHBondContact O-N 3.44Å; D406-R409 PolarHBondContact O-N 3.21Å; D406-R409 WeakPolarHBondContact OD1-CD 3.41Å; D406-R409 IonicContact OD1-CZ 3.12Å; D406-R409 IonicContact OD1-NE 3.03Å; D406-R409 IonicContact OD1-NH1 2.67Å; D406-R409 PolarHBondContact OD1-NH1 3.33Å; D406-Q410 WeakPolarHBondContact O-CB 3.42Å; D406-Q410 PolarHBondContact O-N 3.12Å
407	A	94.1	Very high	87.3	Confident	50 Å²	50	96.9 Å²	96.9	41%	0.413	51%	0.513	S	S	.	.	H	α-helix	trans	-59.6	-45.1	169.4	0	0	0	0	0	111.8	E403 I404 R409 Q410 E411	E403-A407 WeakPolarHBondContact O-CB 3.42Å; E403-A407 PolarHBondContact O-N 2.95Å; I404-A407 PolarHBondContact O-N 3.38Å; A407-R409 PolarHBondContact O-N 3.42Å; A407-Q410 PolarHBondContact O-N 2.9Å; A407-E411 WeakPolarHBondContact O-CG 3.32Å; A407-E411 PolarHBondContact O-N 3.26Å
408	I	93.6	Very high	84.8	Confident	96 Å²	96	100.6 Å²	100.6	49%	0.492	54%	0.541	S	S	.	.	H	α-helix	trans	-63.8	-40.6	176.2	-69	166.2	0	0	0	111.2	I404 I405 D406 Q410 E411 L412	I404-I408 HydrophobicContact CG2-CD1 3.79Å; I404-I408 WeakPolarHBondContact O-CB 3.44Å; I404-I408 VanDerWaalsContact O-CG1 3.26Å; I404-I408 WeakPolarHBondContact O-CG1 3.49Å; I404-I408 PolarHBondContact O-N 3.47Å; I405-I408 PolarHBondContact O-N 3.12Å; D406-I408 PolarHBondContact O-N 3.44Å; I408-Q410 VanDerWaalsContact C-N 3.34Å; I408-Q410 PolarHBondContact O-N 3.04Å; I408-E411 PolarHBondContact O-N 2.97Å; I408-L412 HydrophobicContact CG2-CD1 3.8Å; I408-L412 HydrophobicContact CG2-CG 4.25Å; I408-L412 WeakPolarHBondContact O-CB 3.4Å; I408-L412 WeakPolarHBondContact O-CG 3.39Å; I408-L412 PolarHBondContact O-N 2.87Å
409	R	91.8	Very high	84.2	Confident	144 Å²	144	100.3 Å²	100.3	54%	0.543	54%	0.543	S	S	.	.	H	α-helix	trans	-63	-39	174.7	-73.6	165.5	174.2	162.5	0.4	112.3	I405 D406 A407 L412 S413	I405-R409 VanDerWaalsContact O-CG 3.3Å; I405-R409 WeakPolarHBondContact O-CG 3.47Å; I405-R409 PolarHBondContact O-N 3.47Å; D406-R409 PolarHBondContact O-N 3.21Å; D406-R409 WeakPolarHBondContact OD1-CD 3.41Å; D406-R409 IonicContact OD1-CZ 3.12Å; D406-R409 IonicContact OD1-NE 3.03Å; D406-R409 IonicContact OD1-NH1 2.67Å; D406-R409 PolarHBondContact OD1-NH1 3.33Å; A407-R409 PolarHBondContact O-N 3.42Å; R409-L412 PolarHBondContact O-N 3.26Å; R409-S413 WeakPolarHBondContact O-CB 3.33Å; R409-S413 PolarHBondContact O-N 2.86Å; R409-S413 PolarHBondContact O-OG 2.9Å
410	Q	90.3	Very high	83.5	Confident	144 Å²	144	100.4 Å²	100.4	67%	0.673	55%	0.55	S	S	*	.	H	α-helix	trans	-66.3	-45.1	177.7	-167.8	162.6	50.3	0	0	111.2	D406 A407 I408 S413 G414	D406-Q410 WeakPolarHBondContact O-CB 3.42Å; D406-Q410 PolarHBondContact O-N 3.12Å; A407-Q410 PolarHBondContact O-N 2.9Å; I408-Q410 VanDerWaalsContact C-N 3.34Å; I408-Q410 PolarHBondContact O-N 3.04Å; Q410-S413 PolarHBondContact O-N 3.33Å; Q410-S413 PolarHBondContact O-OG 3.45Å; Q410-G414 PolarHBondContact O-N 3.38Å
411	E	86.5	Confident	82.7	Confident	144 Å²	144	102.4 Å²	102.4	67%	0.673	56%	0.559	S	S	*	*	H	α-helix	trans	-62.5	-44.3	174.1	-70.2	-68.4	105.5	0	0	112.1	A407 I408 S413 G414 I415	A407-E411 WeakPolarHBondContact O-CG 3.32Å; A407-E411 PolarHBondContact O-N 3.26Å; I408-E411 PolarHBondContact O-N 2.97Å; E411-S413 VanDerWaalsContact C-N 3.31Å; E411-S413 PolarHBondContact O-N 3.5Å; E411-G414 PolarHBondContact O-N 2.86Å; E411-I415 PolarHBondContact O-N 2.8Å
412	L	81.8	Confident	81.9	Confident	98 Å²	98	102.6 Å²	102.6	51%	0.513	57%	0.566	S	S	.	*	H	α-helix	trans	-66.3	-28.9	178.4	-72.8	175.2	0	0	0	113.6	I408 R409 I415 S416	I408-L412 HydrophobicContact CG2-CD1 3.8Å; I408-L412 HydrophobicContact CG2-CG 4.25Å; I408-L412 WeakPolarHBondContact O-CB 3.4Å; I408-L412 WeakPolarHBondContact O-CG 3.39Å; I408-L412 PolarHBondContact O-N 2.87Å; R409-L412 PolarHBondContact O-N 3.26Å; L412-I415 HydrophobicContact CD2-CD1 3.89Å; L412-I415 VanDerWaalsContact O-CG1 3.22Å; L412-I415 WeakPolarHBondContact O-CG1 3.36Å; L412-S416 PolarHBondContact O-OG 3Å
413	S	79.2	Confident	80.9	Confident	72 Å²	72	104.3 Å²	104.3	50%	0.503	58%	0.579	S	S	.	*	H	α-helix	trans	-80	-32.5	173.2	51.8	0	0	0	0	112.3	R409 Q410 E411 S416	R409-S413 WeakPolarHBondContact O-CB 3.33Å; R409-S413 PolarHBondContact O-N 2.86Å; R409-S413 PolarHBondContact O-OG 2.9Å; Q410-S413 PolarHBondContact O-N 3.33Å; Q410-S413 PolarHBondContact O-OG 3.45Å; E411-S413 VanDerWaalsContact C-N 3.31Å; E411-S413 PolarHBondContact O-N 3.5Å; S413-S416 PolarHBondContact O-N 2.91Å
414	G	69.2	Low	79.9	Confident	51 Å²	51	103.9 Å²	103.9	53%	0.526	58%	0.584	S	S	.	*	H	α-helix	trans	-60.8	-42.2	173.7	0	0	0	0	0	114	Q410 E411 S416	Q410-G414 PolarHBondContact O-N 3.38Å; E411-G414 PolarHBondContact O-N 2.86Å; G414-S416 PolarHBondContact O-N 2.9Å
415	I	62.9	Low	78.7	Confident	113 Å²	113	104.6 Å²	104.6	58%	0.579	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-7.6	178.6	59.6	175.3	0	0	0	115	E411 L412 T417	E411-I415 PolarHBondContact O-N 2.8Å; L412-I415 HydrophobicContact CD2-CD1 3.89Å; L412-I415 VanDerWaalsContact O-CG1 3.22Å; L412-I415 WeakPolarHBondContact O-CG1 3.36Å; I415-T417 VanDerWaalsContact C-N 3.34Å
416	S	58.8	Low	77.3	Confident	97 Å²	97	108.8 Å²	108.8	68%	0.678	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	5.1	-177.5	-62.3	0	0	0	0	114.1	L412 S413 G414	L412-S416 PolarHBondContact O-OG 3Å; S413-S416 PolarHBondContact O-N 2.91Å; G414-S416 PolarHBondContact O-N 2.9Å
417	T	56	Low	75.9	Confident	126 Å²	126	110.8 Å²	110.8	77%	0.773	63%	0.63	S	S	*	*			trans	-122.7	32	-175.1	-45.1	0	0	0	0	112.8	I415	I415-T417 VanDerWaalsContact C-N 3.34Å
418	T	46.4	Very low	74.2	Confident	194 Å²	194	116.3 Å²	116.3	100%	1.19	65%	0.65	S	S	*	*			trans	-131.3	0	173.7	61.3	0	0	0	0	111.8

Retrieved 418 of 418 residues in 53.3 ms (Link to these results)

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