A0A096LX29_POEFO Loading...

Claudin

Claudins function as major constituents of the tight junction complexes that regulate the permeability of epithelia.

AlphaFold DB (A0A3P9Q417), UniProt , Accession A0A096LX29, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 222 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	77.3	Confident	231 Å²	231	67 Å²	67	100%	1.138	40%	0.396	S	S	*	.				0	-15.2	0	-65.8	-167.4	-81.5	0	0	114.3	N3	M1-N3 PolarHBondContact O-N 2.74Å
2	A	43.2	Very low	78.8	Confident	86 Å²	86	71.7 Å²	71.7	71%	0.711	41%	0.408	S	S	*	.	H	α-helix	trans	-70.2	-14.9	-177.5	0	0	0	0	0	117
3	N	68.3	Low	80.2	Confident	38 Å²	38	69.8 Å²	69.8	20%	0.203	40%	0.396	C	S	.	.	H	α-helix	trans	-80.2	-30.6	-174.3	-102.5	13.7	0	0	0	114.7	M1 Q7 S185 D189	M1-N3 PolarHBondContact O-N 2.74Å; N3-Q7 WeakPolarHBondContact O-CB 3.31Å; N3-Q7 PolarHBondContact O-N 3.45Å; N3-S185 PolarHBondContact ND2-O 2.9Å; N3-D189 PolarHBondContact ND2-OD1 2.75Å; N3-D189 PolarHBondContact ND2-OD2 2.93Å
4	S	75.1	Confident	81.3	Confident	60 Å²	60	64.9 Å²	64.9	42%	0.42	37%	0.368	S	S	.	.	H	α-helix	trans	-74.8	-38.5	-177.6	-53.9	0	0	0	0	112.5	L8	S4-L8 WeakPolarHBondContact O-CB 3.36Å; S4-L8 PolarHBondContact O-N 3Å
5	G	83.1	Confident	82.3	Confident	49 Å²	49	62.9 Å²	62.9	51%	0.505	36%	0.356	S	S	.	.	H	α-helix	trans	-66.2	-41.7	178.6	0	0	0	0	0	112.7	L8 L9	G5-L8 PolarHBondContact O-N 3.37Å; G5-L9 WeakPolarHBondContact O-CB 3.21Å; G5-L9 PolarHBondContact O-N 2.84Å
6	L	85.6	Confident	83.2	Confident	66 Å²	66	61.3 Å²	61.3	35%	0.346	36%	0.358	S	S	.	.	H	α-helix	trans	-68.6	-37.8	178.1	-168	62.7	0	0	0	112.3	L9 G10 L181 S185	L6-L9 HydrophobicContact CD1-CD2 4.46Å; L6-L9 PolarHBondContact O-N 3.34Å; L6-G10 PolarHBondContact O-N 3.17Å; L6-L181 HydrophobicContact CD1-CD1 4.46Å; L6-L181 HydrophobicContact CD1-CD2 3.91Å; L6-L181 HydrophobicContact CD2-CD2 4.5Å; L6-L181 HydrophobicContact CG-CD2 4.31Å; L6-S185 WeakPolarHBondContact CD2-OG 3.47Å; L6-S185 WeakPolarHBondContact CG-OG 3.29Å
7	Q	87.4	Confident	84	Confident	10 Å²	10	57.7 Å²	57.7	5%	0.047	34%	0.337	C	S	.	.	H	α-helix	trans	-64	-43.1	174.8	-173.3	174.7	6.9	0	0	111.4	N3 G10 Y11 M102 L182	N3-Q7 WeakPolarHBondContact O-CB 3.31Å; N3-Q7 PolarHBondContact O-N 3.45Å; Q7-G10 PolarHBondContact O-N 3.37Å; Q7-Y11 PolarHBondContact O-N 3.17Å; Q7-M102 HydrophobicContact CG-CG 4.33Å; Q7-L182 HydrophobicContact CG-CD2 3.88Å; Q7-L182 WeakPolarHBondContact O-CD2 3.47Å
8	L	89.8	Confident	84.8	Confident	76 Å²	76	57.1 Å²	57.1	40%	0.398	33%	0.328	S	S	.	.	H	α-helix	trans	-66.6	-43	177.7	-173.2	66.3	0	0	0	111.8	S4 G5 Y11 F12	S4-L8 WeakPolarHBondContact O-CB 3.36Å; S4-L8 PolarHBondContact O-N 3Å; G5-L8 PolarHBondContact O-N 3.37Å; L8-Y11 PolarHBondContact O-N 3.19Å; L8-F12 HydrophobicContact CD1-CD2 4.09Å; L8-F12 HydrophobicContact CD1-CE2 3.5Å; L8-F12 HydrophobicContact CD1-CZ 4.13Å; L8-F12 HydrophobicContact CD2-CE2 3.95Å; L8-F12 HydrophobicContact CG-CD2 3.83Å; L8-F12 HydrophobicContact CG-CE2 3.47Å; L8-F12 VanDerWaalsContact CG-CE2 3.47Å; L8-F12 WeakPolarHBondContact O-CD2 3.44Å; L8-F12 PolarHBondContact O-N 3.15Å
9	L	92.4	Very high	85.5	Confident	91 Å²	91	59.2 Å²	59.2	48%	0.476	34%	0.337	S	S	.	.	H	α-helix	trans	-59.9	-47.3	174.1	178.5	63.2	0	0	0	111.3	G5 L6 Y11 F12 L13	G5-L9 WeakPolarHBondContact O-CB 3.21Å; G5-L9 PolarHBondContact O-N 2.84Å; L6-L9 HydrophobicContact CD1-CD2 4.46Å; L6-L9 PolarHBondContact O-N 3.34Å; L9-Y11 VanDerWaalsContact C-N 3.28Å; L9-Y11 PolarHBondContact O-N 2.7Å; L9-F12 PolarHBondContact O-N 3.02Å; L9-L13 HydrophobicContact CD1-CD1 4.17Å; L9-L13 HydrophobicContact CD1-CG 4.3Å; L9-L13 HydrophobicContact CG-CD1 3.93Å; L9-L13 WeakPolarHBondContact O-CB 3.41Å; L9-L13 VanDerWaalsContact O-CG 3.32Å; L9-L13 WeakPolarHBondContact O-CG 3.27Å; L9-L13 PolarHBondContact O-N 2.89Å
10	G	93.3	Very high	86	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-58.2	-40.7	176.6	0	0	0	0	0	112.4	L6 Q7 A14 G178	L6-G10 PolarHBondContact O-N 3.17Å; Q7-G10 PolarHBondContact O-N 3.37Å; G10-A14 WeakPolarHBondContact O-CB 3.16Å; G10-A14 PolarHBondContact O-N 2.89Å; G10-G178 WeakPolarHBondContact O-CA 3.47Å
11	Y	93.6	Very high	86.6	Confident	30 Å²	30	54.2 Å²	54.2	12%	0.118	31%	0.311	C	S	.	.	H	α-helix	trans	-64.8	-46.6	175.5	179.4	-112.8	0	0	0	112.9	Q7 L8 L9 L13 A14 L15 V99 M102	Q7-Y11 PolarHBondContact O-N 3.17Å; L8-Y11 PolarHBondContact O-N 3.19Å; L9-Y11 VanDerWaalsContact C-N 3.28Å; L9-Y11 PolarHBondContact O-N 2.7Å; Y11-L13 VanDerWaalsContact C-N 3.34Å; Y11-L13 PolarHBondContact O-N 3.46Å; Y11-A14 PolarHBondContact O-N 3.45Å; Y11-L15 HydrophobicContact CD1-CD1 3.77Å; Y11-L15 HydrophobicContact CD1-CG 4.32Å; Y11-L15 HydrophobicContact CD2-CG 4.34Å; Y11-L15 HydrophobicContact CE1-CD1 3.21Å; Y11-L15 HydrophobicContact CE1-CG 3.94Å; Y11-L15 HydrophobicContact CE2-CD1 4.15Å; Y11-L15 HydrophobicContact CE2-CD2 4.17Å; Y11-L15 HydrophobicContact CE2-CG 3.96Å; Y11-L15 HydrophobicContact CG-CD1 4.44Å; Y11-L15 VanDerWaalsContact CZ-CD1 3.43Å; Y11-L15 WeakPolarHBondContact O-CB 3.34Å; Y11-L15 WeakPolarHBondContact O-CG 3.3Å; Y11-L15 PolarHBondContact O-N 3.5Å; Y11-V99 HydrophobicContact CE2-CG2 4.13Å; Y11-V99 WeakPolarHBondContact OH-CG2 3.47Å; Y11-M102 HydrophobicContact CD1-CE 3.63Å; Y11-M102 HydrophobicContact CD1-SD 4.16Å; Y11-M102 HydrophobicContact CD2-CE 3.17Å; Y11-M102 HydrophobicContact CD2-SD 4.42Å; Y11-M102 HydrophobicContact CE1-CE 3.81Å; Y11-M102 HydrophobicContact CE2-CE 3.37Å; Y11-M102 HydrophobicContact CG-CE 3.29Å; Y11-M102 HydrophobicContact CG-SD 4.01Å
12	F	95.4	Very high	89.3	Confident	123 Å²	123	46.3 Å²	46.3	54%	0.539	27%	0.273	S	S	.	.	H	α-helix	trans	-64.9	-37.6	177.8	-76	-60	0	0	0	112.7	L8 L9 L15 G16	L8-F12 HydrophobicContact CD1-CD2 4.09Å; L8-F12 HydrophobicContact CD1-CE2 3.5Å; L8-F12 HydrophobicContact CD1-CZ 4.13Å; L8-F12 HydrophobicContact CD2-CE2 3.95Å; L8-F12 HydrophobicContact CG-CD2 3.83Å; L8-F12 HydrophobicContact CG-CE2 3.47Å; L8-F12 VanDerWaalsContact CG-CE2 3.47Å; L8-F12 WeakPolarHBondContact O-CD2 3.44Å; L8-F12 PolarHBondContact O-N 3.15Å; L9-F12 PolarHBondContact O-N 3.02Å; F12-L15 HydrophobicContact CD1-CD1 4.34Å; F12-L15 PolarHBondContact O-N 3.44Å; F12-G16 PolarHBondContact O-N 3.22Å
13	L	96.1	Very high	91.9	Very high	48 Å²	48	44.6 Å²	44.6	25%	0.251	26%	0.256	S	S	.	.	H	α-helix	trans	-63	-44.4	173.1	-72.4	167.5	0	0	0	111.4	L9 Y11 G16 G17 L174 L181	L9-L13 HydrophobicContact CD1-CD1 4.17Å; L9-L13 HydrophobicContact CD1-CG 4.3Å; L9-L13 HydrophobicContact CG-CD1 3.93Å; L9-L13 WeakPolarHBondContact O-CB 3.41Å; L9-L13 VanDerWaalsContact O-CG 3.32Å; L9-L13 WeakPolarHBondContact O-CG 3.27Å; L9-L13 PolarHBondContact O-N 2.89Å; Y11-L13 VanDerWaalsContact C-N 3.34Å; Y11-L13 PolarHBondContact O-N 3.46Å; L13-G16 PolarHBondContact O-N 3.02Å; L13-G17 PolarHBondContact O-N 3.23Å; L13-L174 HydrophobicContact CD2-CD2 3.76Å; L13-L181 HydrophobicContact CD1-CD1 3.72Å
14	A	95.9	Very high	93.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.8	-40.3	177	0	0	0	0	0	112.3	G10 Y11 G17 W18 F126 L182	G10-A14 WeakPolarHBondContact O-CB 3.16Å; G10-A14 PolarHBondContact O-N 2.89Å; Y11-A14 PolarHBondContact O-N 3.45Å; A14-G17 PolarHBondContact O-N 3.49Å; A14-W18 WeakPolarHBondContact O-CB 3.47Å; A14-W18 PolarHBondContact O-N 3.21Å; A14-F126 HydrophobicContact CB-CB 4.45Å; A14-F126 HydrophobicContact CB-CD1 3.9Å; A14-F126 HydrophobicContact CB-CD2 3.85Å; A14-F126 HydrophobicContact CB-CE1 3.97Å; A14-F126 HydrophobicContact CB-CE2 3.93Å; A14-F126 HydrophobicContact CB-CG 3.82Å; A14-F126 HydrophobicContact CB-CZ 3.97Å; A14-L182 HydrophobicContact CB-CD1 4.4Å
15	L	96.3	Very high	94.1	Very high	36 Å²	36	40.7 Å²	40.7	19%	0.188	23%	0.231	C	C	.	.	H	α-helix	trans	-63.2	-48.5	174.1	-78.9	179.9	0	0	0	112.3	Y11 F12 G17 W18 I19 I95	Y11-L15 HydrophobicContact CD1-CD1 3.77Å; Y11-L15 HydrophobicContact CD1-CG 4.32Å; Y11-L15 HydrophobicContact CD2-CG 4.34Å; Y11-L15 HydrophobicContact CE1-CD1 3.21Å; Y11-L15 HydrophobicContact CE1-CG 3.94Å; Y11-L15 HydrophobicContact CE2-CD1 4.15Å; Y11-L15 HydrophobicContact CE2-CD2 4.17Å; Y11-L15 HydrophobicContact CE2-CG 3.96Å; Y11-L15 HydrophobicContact CG-CD1 4.44Å; Y11-L15 VanDerWaalsContact CZ-CD1 3.43Å; Y11-L15 WeakPolarHBondContact O-CB 3.34Å; Y11-L15 WeakPolarHBondContact O-CG 3.3Å; Y11-L15 PolarHBondContact O-N 3.5Å; F12-L15 HydrophobicContact CD1-CD1 4.34Å; F12-L15 PolarHBondContact O-N 3.44Å; L15-G17 VanDerWaalsContact C-N 3.3Å; L15-G17 PolarHBondContact O-N 3.08Å; L15-W18 PolarHBondContact O-N 3.47Å; L15-I19 WeakPolarHBondContact O-CG1 3.22Å; L15-I19 PolarHBondContact O-N 3.44Å; L15-I95 HydrophobicContact CD2-CD1 3.65Å; L15-I95 HydrophobicContact CD2-CG1 3.65Å; L15-I95 HydrophobicContact CD2-CG2 4.21Å
16	G	97.3	Very high	94.5	Very high	37 Å²	37	41.5 Å²	41.5	38%	0.381	23%	0.232	S	C	.	.	H	α-helix	trans	-60.9	-41.8	176.7	0	0	0	0	0	111.6	F12 L13 I19 G20	F12-G16 PolarHBondContact O-N 3.22Å; L13-G16 PolarHBondContact O-N 3.02Å; G16-I19 PolarHBondContact O-N 3Å; G16-G20 PolarHBondContact O-N 3.43Å
17	G	97.3	Very high	94.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.3	-46.4	172.6	0	0	0	0	0	112.7	L13 A14 L15 I19 G20 I21 T175	L13-G17 PolarHBondContact O-N 3.23Å; A14-G17 PolarHBondContact O-N 3.49Å; L15-G17 VanDerWaalsContact C-N 3.3Å; L15-G17 PolarHBondContact O-N 3.08Å; G17-I19 PolarHBondContact O-N 2.95Å; G17-G20 CarbonylContact O-C 3.58Å; G17-G20 WeakPolarHBondContact O-CA 3.4Å; G17-G20 PolarHBondContact O-N 3.23Å; G17-G20 VanDerWaalsContact O-N 3.1Å; G17-I21 WeakPolarHBondContact O-CG1 3.47Å; G17-I21 PolarHBondContact O-N 3.49Å; G17-T175 VanDerWaalsContact CA-OG1 3.24Å; G17-T175 WeakPolarHBondContact CA-OG1 3.17Å
18	W	97.8	Very high	94.9	Very high	47 Å²	47	42.2 Å²	42.2	18%	0.178	24%	0.239	C	C	.	.	H	α-helix	trans	-63.2	-41.8	178	-178.8	75.2	0	0	0	113.3	A14 L15 G20 I21 I22 V88 F92 I95 F126	A14-W18 WeakPolarHBondContact O-CB 3.47Å; A14-W18 PolarHBondContact O-N 3.21Å; L15-W18 PolarHBondContact O-N 3.47Å; W18-G20 VanDerWaalsContact C-N 3.27Å; W18-G20 PolarHBondContact O-N 2.98Å; W18-I21 WeakPolarHBondContact O-CB 3.28Å; W18-I21 PolarHBondContact O-N 3.41Å; W18-I21 VanDerWaalsContact O-N 3.13Å; W18-I22 HydrophobicContact CD2-CD1 3.84Å; W18-I22 HydrophobicContact CE3-CD1 3.71Å; W18-I22 HydrophobicContact CH2-CD1 3.43Å; W18-I22 VanDerWaalsContact CH2-CD1 3.43Å; W18-I22 HydrophobicContact CZ2-CD1 3.55Å; W18-I22 HydrophobicContact CZ3-CD1 3.5Å; W18-I22 PolarHBondContact O-N 3.45Å; W18-V88 PolarHBondContact NE1-O 3.44Å; W18-F92 HydrophobicContact CH2-CD2 4.37Å; W18-F92 HydrophobicContact CZ2-CB 4.01Å; W18-F92 HydrophobicContact CZ2-CD2 4.12Å; W18-I95 HydrophobicContact CD2-CD1 3.58Å; W18-I95 HydrophobicContact CE3-CD1 3.53Å; W18-I95 HydrophobicContact CG-CD1 4.12Å; W18-I95 HydrophobicContact CH2-CD1 4.16Å; W18-I95 HydrophobicContact CZ2-CD1 4.21Å; W18-I95 HydrophobicContact CZ3-CD1 3.84Å; W18-F126 HydrophobicContact CB-CE1 4.45Å
19	I	97.6	Very high	94.9	Very high	97 Å²	97	41.3 Å²	41.3	50%	0.497	23%	0.232	S	C	.	.	H	α-helix	trans	-61.5	-39.7	172.4	-65.3	166.7	0	0	0	110.4	L15 G16 G17 I22 S23	L15-I19 WeakPolarHBondContact O-CG1 3.22Å; L15-I19 PolarHBondContact O-N 3.44Å; G16-I19 PolarHBondContact O-N 3Å; G17-I19 PolarHBondContact O-N 2.95Å; I19-I22 PolarHBondContact O-N 3.38Å; I19-S23 WeakPolarHBondContact O-CB 3.3Å; I19-S23 PolarHBondContact O-N 3.32Å; I19-S23 PolarHBondContact O-OG 3.06Å
20	G	96.8	Very high	94.9	Very high	13 Å²	13	37 Å²	37	13%	0.134	21%	0.21	C	C	.	.	H	α-helix	trans	-60	-42.1	172.2	0	0	0	0	0	112.8	G16 G17 W18 I22 S23 T24 A171	G16-G20 PolarHBondContact O-N 3.43Å; G17-G20 CarbonylContact O-C 3.58Å; G17-G20 WeakPolarHBondContact O-CA 3.4Å; G17-G20 PolarHBondContact O-N 3.23Å; G17-G20 VanDerWaalsContact O-N 3.1Å; W18-G20 VanDerWaalsContact C-N 3.27Å; W18-G20 PolarHBondContact O-N 2.98Å; G20-I22 PolarHBondContact O-N 3.35Å; G20-S23 PolarHBondContact O-N 2.95Å; G20-T24 PolarHBondContact O-N 3.26Å; G20-T24 PolarHBondContact O-OG1 3.08Å; G20-A171 VanDerWaalsContact C-CB 3.47Å
21	I	97.2	Very high	94.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.5	-44.5	176.7	-65.9	168.4	0	0	0	110.6	G17 W18 S23 T25 M84 V88 T133 A171 T175	G17-I21 WeakPolarHBondContact O-CG1 3.47Å; G17-I21 PolarHBondContact O-N 3.49Å; W18-I21 WeakPolarHBondContact O-CB 3.28Å; W18-I21 PolarHBondContact O-N 3.41Å; W18-I21 VanDerWaalsContact O-N 3.13Å; I21-S23 VanDerWaalsContact C-N 3.35Å; I21-T25 WeakPolarHBondContact O-CB 3.33Å; I21-T25 PolarHBondContact O-N 2.93Å; I21-T25 PolarHBondContact O-OG1 3.41Å; I21-M84 HydrophobicContact CG2-CE 3.99Å; I21-V88 HydrophobicContact CG2-CG2 3.81Å; I21-T133 WeakPolarHBondContact CD1-OG1 3.49Å; I21-T133 HydrophobicContact CG1-CG2 4Å; I21-A171 HydrophobicContact CG1-CB 4.1Å; I21-T175 HydrophobicContact CD1-CG2 4.2Å; I21-T175 WeakPolarHBondContact CD1-OG1 3.47Å
22	I	96.8	Very high	94.4	Very high	65 Å²	65	39.6 Å²	39.6	33%	0.333	22%	0.223	S	C	.	.	H	α-helix	trans	-60.6	-47	174.9	-68	165.2	0	0	0	110.4	W18 I19 G20 T25 A26 V88	W18-I22 HydrophobicContact CD2-CD1 3.84Å; W18-I22 HydrophobicContact CE3-CD1 3.71Å; W18-I22 HydrophobicContact CH2-CD1 3.43Å; W18-I22 VanDerWaalsContact CH2-CD1 3.43Å; W18-I22 HydrophobicContact CZ2-CD1 3.55Å; W18-I22 HydrophobicContact CZ3-CD1 3.5Å; W18-I22 PolarHBondContact O-N 3.45Å; I19-I22 PolarHBondContact O-N 3.38Å; G20-I22 PolarHBondContact O-N 3.35Å; I22-T25 WeakPolarHBondContact O-CB 3.33Å; I22-T25 PolarHBondContact O-N 3.33Å; I22-T25 VanDerWaalsContact O-N 3.14Å; I22-A26 PolarHBondContact O-N 2.97Å; I22-V88 HydrophobicContact CG1-CG1 4.17Å; I22-V88 HydrophobicContact CG1-CG2 4.19Å
23	S	95.9	Very high	93.8	Very high	51 Å²	51	34.6 Å²	34.6	36%	0.357	20%	0.203	S	C	.	.	H	α-helix	trans	-60.5	-48.9	-179	-56.5	0	0	0	0	111.2	I19 G20 I21 T25 A26 L27	I19-S23 WeakPolarHBondContact O-CB 3.3Å; I19-S23 PolarHBondContact O-N 3.32Å; I19-S23 PolarHBondContact O-OG 3.06Å; G20-S23 PolarHBondContact O-N 2.95Å; I21-S23 VanDerWaalsContact C-N 3.35Å; S23-T25 VanDerWaalsContact C-N 3.29Å; S23-T25 PolarHBondContact O-N 3.45Å; S23-A26 PolarHBondContact O-N 3.27Å; S23-L27 WeakPolarHBondContact O-CB 3.27Å; S23-L27 VanDerWaalsContact O-CG 3.25Å; S23-L27 WeakPolarHBondContact O-CG 3.49Å; S23-L27 PolarHBondContact O-N 3.37Å
24	T	95.7	Very high	92.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.4	-39.7	174.1	-67.4	0	0	0	0	112.2	G20 A26 W30 M84 V137 A164 V167 G168	G20-T24 PolarHBondContact O-N 3.26Å; G20-T24 PolarHBondContact O-OG1 3.08Å; T24-A26 VanDerWaalsContact C-N 3.33Å; T24-A26 PolarHBondContact O-N 3.48Å; T24-W30 HydrophobicContact CG2-CH2 4.27Å; T24-W30 HydrophobicContact CG2-CZ2 3.61Å; T24-W30 PolarHBondContact O-NE1 3.3Å; T24-M84 HydrophobicContact CG2-CE 3.97Å; T24-V137 HydrophobicContact CG2-CG2 4.44Å; T24-A164 HydrophobicContact CG2-CB 4.5Å; T24-A164 VanDerWaalsContact CG2-O 3.31Å; T24-A164 WeakPolarHBondContact CG2-O 3.37Å; T24-A164 PolarHBondContact OG1-O 2.75Å; T24-V167 WeakPolarHBondContact OG1-CG1 3.35Å; T24-G168 VanDerWaalsContact OG1-CA 3.26Å; T24-G168 WeakPolarHBondContact OG1-CA 3.44Å; T24-G168 PolarHBondContact OG1-N 2.93Å
25	T	94.1	Very high	91	Very high	15 Å²	15	39 Å²	39	9%	0.092	22%	0.223	C	C	.	.	H	α-helix	trans	-65.5	-37.1	178.4	-54.8	0	0	0	0	112	I21 I22 S23 W51 M84	I21-T25 WeakPolarHBondContact O-CB 3.33Å; I21-T25 PolarHBondContact O-N 2.93Å; I21-T25 PolarHBondContact O-OG1 3.41Å; I22-T25 WeakPolarHBondContact O-CB 3.33Å; I22-T25 PolarHBondContact O-N 3.33Å; I22-T25 VanDerWaalsContact O-N 3.14Å; S23-T25 VanDerWaalsContact C-N 3.29Å; S23-T25 PolarHBondContact O-N 3.45Å; T25-W51 HydrophobicContact CG2-CZ2 4.41Å; T25-W51 PolarHBondContact O-NE1 3.23Å; T25-W51 VanDerWaalsContact O-NE1 3.11Å; T25-M84 HydrophobicContact CG2-CB 4.18Å; T25-M84 WeakPolarHBondContact OG1-CE 3.44Å
26	A	92.4	Very high	89	Confident	66 Å²	66	40.6 Å²	40.6	55%	0.545	24%	0.241	S	C	.	.	H	α-helix	trans	-81.1	-29.3	-178.8	0	0	0	0	0	113.4	I22 S23 T24	I22-A26 PolarHBondContact O-N 2.97Å; S23-A26 PolarHBondContact O-N 3.27Å; T24-A26 VanDerWaalsContact C-N 3.33Å; T24-A26 PolarHBondContact O-N 3.48Å
27	L	91.9	Very high	86.9	Confident	59 Å²	59	40 Å²	40	31%	0.309	24%	0.236	S	C	.	.			trans	-63.8	135.1	-175.5	-81.4	167.8	0	0	0	112.2	S23 Q29 W30 A164	S23-L27 WeakPolarHBondContact O-CB 3.27Å; S23-L27 VanDerWaalsContact O-CG 3.25Å; S23-L27 WeakPolarHBondContact O-CG 3.49Å; S23-L27 PolarHBondContact O-N 3.37Å; L27-Q29 PolarHBondContact O-N 3.13Å; L27-W30 VanDerWaalsContact O-CD1 3.27Å; L27-A164 HydrophobicContact CB-CB 3.8Å; L27-A164 HydrophobicContact CD1-CB 4.17Å
28	P	89.4	Confident	84.5	Confident	33 Å²	33	46.9 Å²	46.9	21%	0.214	27%	0.272	C	S	.	.	S	Bend	trans	-82.7	5.2	178.4	34.2	-36.2	0	0	0	113.6	E48 G49 M52	P28-E48 CarbonylContact O-C 3.16Å; P28-G49 VanDerWaalsContact C-CA 3.47Å; P28-G49 VanDerWaalsContact O-CA 3.25Å; P28-G49 WeakPolarHBondContact O-CA 3.38Å; P28-G49 PolarHBondContact O-N 2.99Å; P28-M52 HydrophobicContact CB-CG 3.74Å; P28-M52 HydrophobicContact CB-SD 4.13Å
29	Q	90.3	Very high	82.1	Confident	56 Å²	56	47.5 Å²	47.5	26%	0.262	29%	0.287	S	S	.	.			trans	-109.1	58.1	-171.7	-62.2	-157.3	-38.8	0	0	112.1	L27 Y47 G162 S163 A164	L27-Q29 PolarHBondContact O-N 3.13Å; Q29-Y47 HydrophobicContact CG-CD1 3.94Å; Q29-Y47 HydrophobicContact CG-CG 4.36Å; Q29-G162 CarbonylContact O-C 3.54Å; Q29-G162 WeakPolarHBondContact O-CA 3.22Å; Q29-S163 WeakPolarHBondContact CB-OG 3.29Å; Q29-S163 PolarHBondContact O-N 3Å; Q29-S163 PolarHBondContact OE1-OG 3.48Å; Q29-A164 WeakPolarHBondContact O-CB 3.34Å; Q29-A164 PolarHBondContact O-N 3.25Å
30	W	92.6	Very high	79.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	31%	0.305	C	S	.	.	S	Bend	trans	-82.2	-37.1	174.1	-81.1	63.7	0	0	0	111.8	T24 L27 E48 L50 M84 V137 Y140 G162 A164 L165	T24-W30 HydrophobicContact CG2-CH2 4.27Å; T24-W30 HydrophobicContact CG2-CZ2 3.61Å; T24-W30 PolarHBondContact O-NE1 3.3Å; L27-W30 VanDerWaalsContact O-CD1 3.27Å; W30-E48 WeakPolarHBondContact CA-O 3.38Å; W30-E48 WeakPolarHBondContact CB-O 3.38Å; W30-E48 PolarHBondContact N-O 3.41Å; W30-L50 HydrophobicContact CD2-CD1 3.83Å; W30-L50 HydrophobicContact CE3-CD1 3.92Å; W30-L50 HydrophobicContact CG-CD1 4.43Å; W30-L50 HydrophobicContact CH2-CD1 4.08Å; W30-L50 HydrophobicContact CZ2-CD1 3.97Å; W30-L50 HydrophobicContact CZ2-CD2 4.13Å; W30-L50 HydrophobicContact CZ2-CG 4.49Å; W30-L50 HydrophobicContact CZ3-CD1 4.05Å; W30-M84 HydrophobicContact CH2-CE 4.3Å; W30-M84 HydrophobicContact CH2-CG 3.88Å; W30-M84 HydrophobicContact CH2-SD 3.88Å; W30-M84 HydrophobicContact CZ2-CE 4.12Å; W30-M84 HydrophobicContact CZ2-CG 4.12Å; W30-M84 HydrophobicContact CZ2-SD 4.26Å; W30-V137 HydrophobicContact CH2-CG2 3.86Å; W30-V137 HydrophobicContact CZ3-CG2 4.17Å; W30-Y140 HydrophobicContact CB-CD1 4.44Å; W30-Y140 HydrophobicContact CB-CE1 3.77Å; W30-Y140 AromaticContact CE3-CD1 3.83Å; W30-Y140 HydrophobicContact CE3-CD1 3.83Å; W30-Y140 AromaticContact CE3-CD2 3.87Å; W30-Y140 HydrophobicContact CE3-CD2 3.87Å; W30-Y140 HydrophobicContact CE3-CE1 4.22Å; W30-Y140 HydrophobicContact CE3-CE2 4.26Å; W30-Y140 AromaticContact CE3-CG 3.64Å; W30-Y140 HydrophobicContact CE3-CG 3.64Å; W30-Y140 HydrophobicContact CZ3-CD2 4.29Å; W30-Y140 HydrophobicContact CZ3-CG 4.05Å; W30-G162 PolarHBondContact O-N 3.44Å; W30-G162 VanDerWaalsContact O-N 3.09Å; W30-A164 HydrophobicContact CG-CB 4.26Å; W30-L165 HydrophobicContact CD2-CD2 4.22Å; W30-L165 HydrophobicContact CE3-CD2 3.54Å; W30-L165 HydrophobicContact CZ3-CD2 3.98Å; W30-L165 VanDerWaalsContact O-CD1 3.25Å; W30-L165 WeakPolarHBondContact O-CD1 3.38Å; W30-L165 WeakPolarHBondContact O-CG 3.43Å
31	K	88.9	Confident	77.6	Confident	21 Å²	21	57.9 Å²	57.9	9%	0.091	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154.2	166.5	66.1	178.3	-174.5	169.3	0	110.6	E48 Y140 V144 Y159 E160	K31-E48 HydrophobicContact CD-CB 4.32Å; K31-E48 VanDerWaalsContact CE-CB 3.43Å; K31-E48 WeakPolarHBondContact CE-OE2 3.27Å; K31-E48 HydrophobicContact CG-CB 3.77Å; K31-E48 PolarHBondContact N-O 3.42Å; K31-E48 IonicContact NZ-OE1 3.76Å; K31-E48 IonicContact NZ-OE2 2.73Å; K31-E48 PolarHBondContact NZ-OE2 2.87Å; K31-E48 PolarHBondContact O-N 2.89Å; K31-Y140 HydrophobicContact CB-CE1 4.15Å; K31-Y140 HydrophobicContact CG-CE1 4.45Å; K31-V144 HydrophobicContact CB-CG2 4.13Å; K31-V144 HydrophobicContact CD-CG2 4.43Å; K31-Y159 HydrophobicContact CB-CD1 4.23Å; K31-Y159 HydrophobicContact CD-CD1 3.62Å; K31-Y159 HydrophobicContact CD-CD2 4.3Å; K31-Y159 HydrophobicContact CD-CE1 4.1Å; K31-Y159 HydrophobicContact CD-CG 3.72Å; K31-Y159 HydrophobicContact CG-CD1 3.7Å; K31-Y159 HydrophobicContact CG-CE1 4.25Å; K31-Y159 HydrophobicContact CG-CG 4.21Å; K31-E160 WeakPolarHBondContact CA-O 3.18Å
32	Q	87.1	Confident	75.5	Confident	65 Å²	65	62 Å²	62	30%	0.304	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.1	-178.7	177.7	178.6	-34.5	0	0	109.4	S34 L46 Y47 Y159 E160	Q32-S34 PolarHBondContact O-N 2.96Å; Q32-L46 CarbonylContact C-O 3.55Å; Q32-L46 WeakPolarHBondContact CA-O 3.46Å; Q32-Y47 HydrophobicContact CB-CD1 4.08Å; Q32-Y47 HydrophobicContact CB-CE1 4.28Å; Q32-Y47 HydrophobicContact CG-CD1 3.8Å; Q32-Y47 HydrophobicContact CG-CE1 3.58Å; Q32-Y47 VanDerWaalsContact OE1-CE1 3.25Å; Q32-Y159 CarbonylContact O-C 3.46Å; Q32-Y159 VanDerWaalsContact O-CA 3.26Å; Q32-Y159 WeakPolarHBondContact O-CA 3.41Å; Q32-E160 PolarHBondContact N-O 2.82Å; Q32-E160 PolarHBondContact O-N 3.41Å
33	S	82.8	Confident	73.5	Confident	17 Å²	17	60.6 Å²	60.6	12%	0.119	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	130.9	175.9	56	0	0	0	0	111.6	Y35 L46	S33-Y35 VanDerWaalsContact C-N 3.33Å; S33-L46 PolarHBondContact N-O 3.46Å; S33-L46 PolarHBondContact OG-N 3.44Å; S33-L46 PolarHBondContact OG-O 3.28Å
34	S	69.3	Low	72.1	Confident	40 Å²	40	59.6 Å²	59.6	28%	0.28	35%	0.352	S	S	.	.	S	Bend	trans	-72.4	-24.9	175.5	-68.8	0	0	0	0	113.4	Q32 R158 E160	Q32-S34 PolarHBondContact O-N 2.96Å; S34-R158 PolarHBondContact N-O 3.17Å; S34-E160 VanDerWaalsContact CB-OE1 3.25Å; S34-E160 WeakPolarHBondContact CB-OE1 3.26Å; S34-E160 WeakPolarHBondContact OG-CG 3.31Å; S34-E160 PolarHBondContact OG-OE1 3.45Å
35	Y	63	Low	71.2	Confident	101 Å²	101	60.6 Å²	60.6	40%	0.396	36%	0.362	S	S	.	.			trans	-110.3	107.6	-170.4	-152.9	-104.4	0	0	0	110.7	S33 G37 N156	S33-Y35 VanDerWaalsContact C-N 3.33Å; Y35-G37 PolarHBondContact O-N 3.33Å; Y35-N156 HydrophobicContact CD1-CB 4.19Å
36	A	55.9	Low	70.7	Confident	70 Å²	70	62.9 Å²	62.9	58%	0.579	37%	0.374	S	S	*	.			trans	-78.4	103.5	157.5	0	0	0	0	0	106.1	D38	A36-D38 PolarHBondContact O-N 3.05Å
37	G	52.7	Low	70.4	Confident	25 Å²	25	62.2 Å²	62.2	26%	0.258	36%	0.358	S	S	.	.			trans	-49.7	133.3	-174.4	0	0	0	0	0	113.1	Y35 A39	Y35-G37 PolarHBondContact O-N 3.33Å; G37-A39 PolarHBondContact O-N 3.18Å
38	D	46.2	Very low	70.2	Confident	144 Å²	144	60.9 Å²	60.9	77%	0.77	35%	0.35	S	S	*	.	S	Bend	trans	-67.7	6.5	174.1	-144.3	17.6	0	0	0	112.9	A36 I40	A36-D38 PolarHBondContact O-N 3.05Å; D38-I40 PolarHBondContact O-N 2.7Å
39	A	48.2	Very low	70.2	Confident	59 Å²	59	59.3 Å²	59.3	49%	0.488	34%	0.34	S	S	.	.			trans	-80.5	103.9	167.1	0	0	0	0	0	108.8	G37 I41 T42	G37-A39 PolarHBondContact O-N 3.18Å; A39-I41 PolarHBondContact O-N 3Å; A39-T42 PolarHBondContact O-N 3.41Å
40	I	46.6	Very low	70.1	Confident	169 Å²	169	56.7 Å²	56.7	87%	0.867	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.3	-13.8	178.8	-62.5	167	0	0	0	114.3	D38	D38-I40 PolarHBondContact O-N 2.7Å
41	I	53.2	Low	69.9	Low	160 Å²	160	61.2 Å²	61.2	82%	0.821	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-19.3	-176.5	-53.8	175.8	0	0	0	112.9	A39	A39-I41 PolarHBondContact O-N 3Å
42	T	52.9	Low	69.9	Low	85 Å²	85	63 Å²	63	52%	0.521	35%	0.354	S	S	.	.			trans	-146	53.8	-177.5	61.6	0	0	0	0	113.6	A39 V44	A39-T42 PolarHBondContact O-N 3.41Å; T42-V44 VanDerWaalsContact C-N 3.28Å; T42-V44 PolarHBondContact O-N 3.09Å
43	A	54.6	Low	69.9	Low	36 Å²	36	61.2 Å²	61.2	30%	0.298	35%	0.349	S	S	.	.			trans	-68.4	90.3	164.1	0	0	0	0	0	108.9	S58	A43-S58 PolarHBondContact O-N 3.12Å
44	V	67	Low	70.1	Confident	30 Å²	30	60.7 Å²	60.7	18%	0.182	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.3	-177.9	-175.1	0	0	0	0	109.2	T42 L46 A55 S56 Q57	T42-V44 VanDerWaalsContact C-N 3.28Å; T42-V44 PolarHBondContact O-N 3.09Å; V44-L46 HydrophobicContact CG1-CD2 3.9Å; V44-L46 HydrophobicContact CG1-CG 4.44Å; V44-L46 PolarHBondContact O-N 3.01Å; V44-A55 HydrophobicContact CG1-CB 3.65Å; V44-S56 CarbonylContact C-O 3.51Å; V44-S56 VanDerWaalsContact CA-O 3.29Å; V44-S56 WeakPolarHBondContact CA-O 2.83Å; V44-Q57 HydrophobicContact CG1-CG 4.35Å; V44-Q57 HydrophobicContact CG2-CG 4.03Å
45	G	76.5	Confident	70.9	Confident	21 Å²	21	59.8 Å²	59.8	22%	0.216	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	114.9	169.2	0	0	0	0	0	109.6	S56	G45-S56 PolarHBondContact N-O 2.75Å; G45-S56 PolarHBondContact O-N 3.23Å
46	L	83.2	Confident	71.8	Confident	63 Å²	63	56.9 Å²	56.9	33%	0.33	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.9	178	-63.5	174.4	0	0	0	110.1	Q32 S33 V44 A55	Q32-L46 CarbonylContact C-O 3.55Å; Q32-L46 WeakPolarHBondContact CA-O 3.46Å; S33-L46 PolarHBondContact N-O 3.46Å; S33-L46 PolarHBondContact OG-N 3.44Å; S33-L46 PolarHBondContact OG-O 3.28Å; V44-L46 HydrophobicContact CG1-CD2 3.9Å; V44-L46 HydrophobicContact CG1-CG 4.44Å; V44-L46 PolarHBondContact O-N 3.01Å; L46-A55 HydrophobicContact CD2-CB 3.74Å
47	Y	86.7	Confident	73	Confident	53 Å²	53	56.6 Å²	56.6	21%	0.208	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.7	173.8	-55.5	-84.9	0	0	0	108.1	Q29 Q32 S53 C54	Q29-Y47 HydrophobicContact CG-CD1 3.94Å; Q29-Y47 HydrophobicContact CG-CG 4.36Å; Q32-Y47 HydrophobicContact CB-CD1 4.08Å; Q32-Y47 HydrophobicContact CB-CE1 4.28Å; Q32-Y47 HydrophobicContact CG-CD1 3.8Å; Q32-Y47 HydrophobicContact CG-CE1 3.58Å; Q32-Y47 VanDerWaalsContact OE1-CE1 3.25Å; Y47-S53 CarbonylContact O-C 3.58Å; Y47-S53 WeakPolarHBondContact O-CA 3.22Å; Y47-S53 PolarHBondContact O-OG 3.45Å; Y47-C54 PolarHBondContact N-O 3.48Å; Y47-C54 PolarHBondContact O-N 3.45Å
48	E	88.1	Confident	74	Confident	30 Å²	30	60 Å²	60	14%	0.14	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.9	175.3	-80.7	178.3	-139.4	0	0	110	P28 W30 K31 Y159	P28-E48 CarbonylContact O-C 3.16Å; W30-E48 WeakPolarHBondContact CA-O 3.38Å; W30-E48 WeakPolarHBondContact CB-O 3.38Å; W30-E48 PolarHBondContact N-O 3.41Å; K31-E48 HydrophobicContact CD-CB 4.32Å; K31-E48 VanDerWaalsContact CE-CB 3.43Å; K31-E48 WeakPolarHBondContact CE-OE2 3.27Å; K31-E48 HydrophobicContact CG-CB 3.77Å; K31-E48 PolarHBondContact N-O 3.42Å; K31-E48 IonicContact NZ-OE1 3.76Å; K31-E48 IonicContact NZ-OE2 2.73Å; K31-E48 PolarHBondContact NZ-OE2 2.87Å; K31-E48 PolarHBondContact O-N 2.89Å; E48-Y159 PolarHBondContact OE1-OH 3.04Å
49	G	89.4	Confident	75.4	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.01	33%	0.334	C	S	.	.			trans	-107.6	-175.7	177.6	0	0	0	0	0	112	P28 M52	P28-G49 VanDerWaalsContact C-CA 3.47Å; P28-G49 VanDerWaalsContact O-CA 3.25Å; P28-G49 WeakPolarHBondContact O-CA 3.38Å; P28-G49 PolarHBondContact O-N 2.99Å; G49-M52 WeakPolarHBondContact CA-O 3.28Å; G49-M52 PolarHBondContact N-O 2.82Å
50	L	86.9	Confident	76.6	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	34%	0.342	C	S	.	.	S	Bend	trans	-69.4	-38.5	174.3	-132.4	70.2	0	0	0	111.4	W30 I77 C80 R81 M84	W30-L50 HydrophobicContact CD2-CD1 3.83Å; W30-L50 HydrophobicContact CE3-CD1 3.92Å; W30-L50 HydrophobicContact CG-CD1 4.43Å; W30-L50 HydrophobicContact CH2-CD1 4.08Å; W30-L50 HydrophobicContact CZ2-CD1 3.97Å; W30-L50 HydrophobicContact CZ2-CD2 4.13Å; W30-L50 HydrophobicContact CZ2-CG 4.49Å; W30-L50 HydrophobicContact CZ3-CD1 4.05Å; L50-I77 HydrophobicContact CD1-CG2 4.49Å; L50-C80 HydrophobicContact CD1-CB 4.07Å; L50-R81 HydrophobicContact CD2-CB 4.25Å; L50-R81 HydrophobicContact CD2-CG 3.72Å; L50-R81 HydrophobicContact CG-CG 3.59Å; L50-R81 PolarHBondContact O-NE 3.27Å; L50-R81 PolarHBondContact O-NH2 2.71Å; L50-M84 HydrophobicContact CD2-CB 4.17Å; L50-M84 HydrophobicContact CD2-CG 3.92Å
51	W	89.1	Confident	78.2	Confident	96 Å²	96	55.5 Å²	55.5	36%	0.364	33%	0.326	S	S	.	.	S	Bend	trans	-113.3	-19.9	-171.8	-56	95.9	0	0	0	115.2	T25 F67 M70 R81 V85	T25-W51 HydrophobicContact CG2-CZ2 4.41Å; T25-W51 PolarHBondContact O-NE1 3.23Å; T25-W51 VanDerWaalsContact O-NE1 3.11Å; W51-F67 WeakPolarHBondContact O-CD2 3.41Å; W51-M70 HydrophobicContact CZ3-CE 4.39Å; W51-R81 HydrophobicContact CZ2-CG 4.48Å; W51-V85 HydrophobicContact CH2-CG2 4.09Å; W51-V85 HydrophobicContact CZ2-CG2 3.93Å
52	M	88.1	Confident	79.7	Confident	57 Å²	57	52.4 Å²	52.4	28%	0.281	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	157.8	-177.5	66.1	-177.3	73.6	0	0	110.2	P28 G49 C64 K65 I66	P28-M52 HydrophobicContact CB-CG 3.74Å; P28-M52 HydrophobicContact CB-SD 4.13Å; G49-M52 WeakPolarHBondContact CA-O 3.28Å; G49-M52 PolarHBondContact N-O 2.82Å; M52-C64 HydrophobicContact SD-CB 4.25Å; M52-K65 WeakPolarHBondContact CA-O 3.21Å; M52-I66 HydrophobicContact CB-CG1 4.3Å
53	S	87.4	Confident	81.2	Confident	28 Å²	28	54.1 Å²	54.1	20%	0.196	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.1	167.6	177.4	0	0	0	0	108.4	Y47 C64 K65	Y47-S53 CarbonylContact O-C 3.58Å; Y47-S53 WeakPolarHBondContact O-CA 3.22Å; Y47-S53 PolarHBondContact O-OG 3.45Å; S53-C64 CarbonylContact O-C 3.58Å; S53-C64 WeakPolarHBondContact O-CA 3.46Å; S53-K65 PolarHBondContact N-O 2.98Å; S53-K65 PolarHBondContact O-N 3.2Å
54	C	87.9	Confident	82.8	Confident	6 Å²	6	55.8 Å²	55.8	4%	0.041	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.8	178.8	-62.4	0	0	0	0	110.2	Y47 Q63 C64	Y47-C54 PolarHBondContact N-O 3.48Å; Y47-C54 PolarHBondContact O-N 3.45Å; C54-Q63 CarbonylContact C-O 3.53Å; C54-Q63 WeakPolarHBondContact CA-O 3.41Å; C54-C64 HydrophobicContact CB-CB 4.16Å; C54-C64 WeakPolarHBondContact CB-SG 3.46Å; C54-C64 WeakPolarHBondContact SG-CB 3.41Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 2.89Å
55	A	85.7	Confident	83.8	Confident	22 Å²	22	60.8 Å²	60.8	18%	0.182	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.9	175.1	0	0	0	0	0	108.9	V44 L46 V62 Q63	V44-A55 HydrophobicContact CG1-CB 3.65Å; L46-A55 HydrophobicContact CD2-CB 3.74Å; A55-V62 WeakPolarHBondContact O-CA 3.34Å; A55-Q63 PolarHBondContact N-O 3.29Å; A55-Q63 PolarHBondContact O-N 3.03Å
56	S	82.3	Confident	84.2	Confident	39 Å²	39	65.4 Å²	65.4	27%	0.273	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	113.6	173.9	-172.6	0	0	0	0	109.2	V44 G45	V44-S56 CarbonylContact C-O 3.51Å; V44-S56 VanDerWaalsContact CA-O 3.29Å; V44-S56 WeakPolarHBondContact CA-O 2.83Å; G45-S56 PolarHBondContact N-O 2.75Å; G45-S56 PolarHBondContact O-N 3.23Å
57	Q	79.8	Confident	84.1	Confident	64 Å²	64	64.7 Å²	64.7	30%	0.299	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	151.7	-179.9	-57.8	-171.4	89.2	0	0	111	V44 T59 G60 Q61	V44-Q57 HydrophobicContact CG1-CG 4.35Å; V44-Q57 HydrophobicContact CG2-CG 4.03Å; Q57-T59 PolarHBondContact O-N 3.3Å; Q57-G60 PolarHBondContact O-N 3.48Å; Q57-Q61 PolarHBondContact N-O 3.02Å
58	S	73.4	Confident	83.1	Confident	96 Å²	96	68.3 Å²	68.3	67%	0.671	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-19.7	176.7	56	0	0	0	0	114.7	A43 G60	A43-S58 PolarHBondContact O-N 3.12Å; S58-G60 PolarHBondContact O-N 3.46Å
59	T	76	Confident	81.8	Confident	101 Å²	101	70.4 Å²	70.4	62%	0.62	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	1	172.8	54.9	0	0	0	0	113.8	Q57 Q61	Q57-T59 PolarHBondContact O-N 3.3Å; T59-Q61 VanDerWaalsContact C-N 3.27Å; T59-Q61 PolarHBondContact O-N 3.31Å
60	G	74.8	Confident	80.3	Confident	65 Å²	65	75.1 Å²	75.1	67%	0.67	42%	0.421	S	S	*	.	S	Bend	trans	81	2.8	-178	0	0	0	0	0	114	Q57 S58	Q57-G60 PolarHBondContact O-N 3.48Å; S58-G60 PolarHBondContact O-N 3.46Å
61	Q	79.8	Confident	78.7	Confident	113 Å²	113	83.6 Å²	83.6	53%	0.528	47%	0.465	S	S	.	.			trans	-82.7	125	176	-67.5	-174.5	-27.3	0	0	110.7	Q57 T59	Q57-Q61 PolarHBondContact N-O 3.02Å; T59-Q61 VanDerWaalsContact C-N 3.27Å; T59-Q61 PolarHBondContact O-N 3.31Å
62	V	84.1	Confident	77	Confident	94 Å²	94	84.3 Å²	84.3	57%	0.57	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	118.5	170.6	-179.4	0	0	0	0	108.8	A55	A55-V62 WeakPolarHBondContact O-CA 3.34Å
63	Q	85.3	Confident	76	Confident	121 Å²	121	83.1 Å²	83.1	57%	0.565	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.5	175.8	-68.7	-172.1	-16.5	0	0	109.5	C54 A55	C54-Q63 CarbonylContact C-O 3.53Å; C54-Q63 WeakPolarHBondContact CA-O 3.41Å; A55-Q63 PolarHBondContact N-O 3.29Å; A55-Q63 PolarHBondContact O-N 3.03Å
64	C	88.3	Confident	75.5	Confident	72 Å²	72	85.6 Å²	85.6	49%	0.486	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128.2	174.6	-65.8	0	0	0	0	110.2	M52 S53 C54	M52-C64 HydrophobicContact SD-CB 4.25Å; S53-C64 CarbonylContact O-C 3.58Å; S53-C64 WeakPolarHBondContact O-CA 3.46Å; C54-C64 HydrophobicContact CB-CB 4.16Å; C54-C64 WeakPolarHBondContact CB-SG 3.46Å; C54-C64 WeakPolarHBondContact SG-CB 3.41Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 2.89Å
65	K	86.9	Confident	75.2	Confident	134 Å²	134	90.8 Å²	90.8	58%	0.583	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	129	176.2	-169.3	177.7	177.9	-174.6	0	109.8	M52 S53 D68	M52-K65 WeakPolarHBondContact CA-O 3.21Å; S53-K65 PolarHBondContact N-O 2.98Å; S53-K65 PolarHBondContact O-N 3.2Å; K65-D68 WeakPolarHBondContact CE-OD2 3.31Å; K65-D68 IonicContact NZ-OD2 2.88Å; K65-D68 PolarHBondContact NZ-OD2 3.38Å
66	I	85.9	Confident	75.2	Confident	119 Å²	119	90.8 Å²	90.8	61%	0.61	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	144.4	172	-68.6	149.3	0	0	0	108.6	M52 D68	M52-I66 HydrophobicContact CB-CG1 4.3Å; I66-D68 PolarHBondContact O-N 3.34Å; I66-D68 VanDerWaalsContact O-N 3.09Å
67	F	81.1	Confident	75.4	Confident	48 Å²	48	89.2 Å²	89.2	21%	0.211	50%	0.502	C	S	.	.			trans	-66.8	109.9	179	-64.6	-73.5	0	0	0	110.8	W51 S69 L73	W51-F67 WeakPolarHBondContact O-CD2 3.41Å; F67-S69 VanDerWaalsContact C-N 3.27Å; F67-S69 PolarHBondContact O-N 2.94Å; F67-L73 HydrophobicContact CD1-CD1 3.82Å; F67-L73 HydrophobicContact CD1-CD2 4.49Å; F67-L73 HydrophobicContact CD2-CD2 4.29Å; F67-L73 HydrophobicContact CE1-CD1 3.8Å; F67-L73 HydrophobicContact CG-CD1 4.39Å; F67-L73 HydrophobicContact CG-CD2 4.26Å; F67-L73 HydrophobicContact CZ-CD1 4.33Å
68	D	65.2	Low	75.8	Confident	128 Å²	128	91 Å²	91	68%	0.684	51%	0.51	S	S	*	.	S	Bend	trans	-66.4	-22	-177.2	-84.6	-47.9	0	0	0	113.9	K65 I66	K65-D68 WeakPolarHBondContact CE-OD2 3.31Å; K65-D68 IonicContact NZ-OD2 2.88Å; K65-D68 PolarHBondContact NZ-OD2 3.38Å; I66-D68 PolarHBondContact O-N 3.34Å; I66-D68 VanDerWaalsContact O-N 3.09Å
69	S	60.6	Low	76.6	Confident	74 Å²	74	89.4 Å²	89.4	52%	0.517	50%	0.496	S	S	.	.			trans	-143	108.4	-176.2	-70.9	0	0	0	0	111.7	F67 L71 S72	F67-S69 VanDerWaalsContact C-N 3.27Å; F67-S69 PolarHBondContact O-N 2.94Å; S69-L71 PolarHBondContact O-N 3.2Å; S69-S72 PolarHBondContact O-N 3.04Å
70	M	57.4	Low	77.4	Confident	101 Å²	101	84.6 Å²	84.6	50%	0.498	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-60.7	-26.9	175.5	-57.3	-66.5	-113.4	0	0	112.4	W51 R81	W51-M70 HydrophobicContact CZ3-CE 4.39Å; M70-R81 PolarHBondContact SD-NH1 3.33Å
71	L	53.4	Low	78.3	Confident	177 Å²	177	82 Å²	82	93%	0.927	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-78.6	-20.3	-175.9	-153.8	102	0	0	0	113.8	S69	S69-L71 PolarHBondContact O-N 3.2Å
72	S	53.3	Low	78.9	Confident	112 Å²	112	79 Å²	79	78%	0.783	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-95.3	-0.9	178.4	-171.8	0	0	0	0	112.5	S69	S69-S72 PolarHBondContact O-N 3.04Å
73	L	66.5	Low	79.4	Confident	32 Å²	32	76.7 Å²	76.7	17%	0.168	42%	0.416	C	S	.	.	S	Bend	trans	-94.1	144.3	-176.3	-158.2	67.6	0	0	0	110.3	F67 I77 R81	F67-L73 HydrophobicContact CD1-CD1 3.82Å; F67-L73 HydrophobicContact CD1-CD2 4.49Å; F67-L73 HydrophobicContact CD2-CD2 4.29Å; F67-L73 HydrophobicContact CE1-CD1 3.8Å; F67-L73 HydrophobicContact CG-CD1 4.39Å; F67-L73 HydrophobicContact CG-CD2 4.26Å; F67-L73 HydrophobicContact CZ-CD1 4.33Å; L73-I77 HydrophobicContact CD1-CD1 4.16Å; L73-I77 HydrophobicContact CD2-CB 4.1Å; L73-I77 HydrophobicContact CD2-CD1 4.33Å; L73-I77 HydrophobicContact CD2-CG2 3.72Å; L73-I77 HydrophobicContact CG-CB 4.28Å; L73-I77 HydrophobicContact CG-CD1 4.06Å; L73-I77 HydrophobicContact CG-CG2 4.41Å; L73-R81 VanDerWaalsContact CD2-CZ 3.47Å
74	D	77.4	Confident	79.9	Confident	80 Å²	80	71 Å²	71	43%	0.428	39%	0.389	S	S	.	.			trans	-59.4	138.4	-175	-159.1	-47.9	0	0	0	112.1	H76 I77 Q78	D74-H76 WeakPolarHBondContact CB-CE1 3.3Å; D74-H76 WeakPolarHBondContact CB-ND1 3.37Å; D74-H76 PolarHBondContact O-N 2.92Å; D74-H76 VanDerWaalsContact O-N 3.11Å; D74-H76 IonicContact OD1-CE1 3.44Å; D74-H76 PolarHBondContact OD1-CE1 3.37Å; D74-H76 IonicContact OD1-CG 3.77Å; D74-H76 IonicContact OD1-ND1 2.69Å; D74-H76 PolarHBondContact OD1-ND1 2.9Å; D74-H76 IonicContact OD2-CE1 3.33Å; D74-H76 PolarHBondContact OD2-CE1 3.49Å; D74-H76 IonicContact OD2-ND1 3.4Å; D74-H76 PolarHBondContact OD2-ND1 3.08Å; D74-I77 PolarHBondContact O-N 2.99Å; D74-Q78 PolarHBondContact O-N 2.63Å
75	I	82.8	Confident	80.3	Confident	115 Å²	115	70.3 Å²	70.3	59%	0.59	38%	0.383	S	S	*	.	H	α-helix	trans	-56.8	-31.3	-172.9	-173.4	60.6	0	0	0	112.8	I77 Q78 T79	I75-I77 VanDerWaalsContact C-N 3.34Å; I75-I77 PolarHBondContact O-N 3.45Å; I75-Q78 PolarHBondContact O-N 3.39Å; I75-T79 PolarHBondContact O-N 3.03Å; I75-T79 PolarHBondContact O-OG1 2.95Å
76	H	84.4	Confident	80.8	Confident	22 Å²	22	67.9 Å²	67.9	10%	0.102	38%	0.375	C	S	.	.	H	α-helix	trans	-65.1	-37.7	177.8	69.5	-87.5	0	0	0	111.8	D74 T79 C80 Q143	D74-H76 WeakPolarHBondContact CB-CE1 3.3Å; D74-H76 WeakPolarHBondContact CB-ND1 3.37Å; D74-H76 PolarHBondContact O-N 2.92Å; D74-H76 VanDerWaalsContact O-N 3.11Å; D74-H76 IonicContact OD1-CE1 3.44Å; D74-H76 PolarHBondContact OD1-CE1 3.37Å; D74-H76 IonicContact OD1-CG 3.77Å; D74-H76 IonicContact OD1-ND1 2.69Å; D74-H76 PolarHBondContact OD1-ND1 2.9Å; D74-H76 IonicContact OD2-CE1 3.33Å; D74-H76 PolarHBondContact OD2-CE1 3.49Å; D74-H76 IonicContact OD2-ND1 3.4Å; D74-H76 PolarHBondContact OD2-ND1 3.08Å; H76-T79 PolarHBondContact O-N 3.17Å; H76-C80 PolarHBondContact O-N 3.46Å; H76-C80 PolarHBondContact O-SG 3.31Å; H76-Q143 HydrophobicContact CB-CG 4.3Å
77	I	86.6	Confident	81.3	Confident	6 Å²	6	62.2 Å²	62.2	3%	0.031	35%	0.346	C	S	.	.	H	α-helix	trans	-68.9	-41.8	179.3	-54.5	-175	0	0	0	110.3	L50 L73 D74 I75 T79 C80 R81 Y140	L50-I77 HydrophobicContact CD1-CG2 4.49Å; L73-I77 HydrophobicContact CD1-CD1 4.16Å; L73-I77 HydrophobicContact CD2-CB 4.1Å; L73-I77 HydrophobicContact CD2-CD1 4.33Å; L73-I77 HydrophobicContact CD2-CG2 3.72Å; L73-I77 HydrophobicContact CG-CB 4.28Å; L73-I77 HydrophobicContact CG-CD1 4.06Å; L73-I77 HydrophobicContact CG-CG2 4.41Å; D74-I77 PolarHBondContact O-N 2.99Å; I75-I77 VanDerWaalsContact C-N 3.34Å; I75-I77 PolarHBondContact O-N 3.45Å; I77-T79 VanDerWaalsContact C-N 3.32Å; I77-T79 PolarHBondContact O-N 2.88Å; I77-C80 PolarHBondContact O-N 3.1Å; I77-R81 WeakPolarHBondContact O-CG 3.37Å; I77-R81 PolarHBondContact O-N 2.83Å; I77-Y140 HydrophobicContact CG1-CE2 4.27Å
78	Q	89.3	Confident	82.1	Confident	100 Å²	100	61.6 Å²	61.6	47%	0.467	35%	0.346	S	S	.	.	H	α-helix	trans	-62.7	-41	177.5	-170.3	176.7	9.9	0	0	111.8	D74 I75 R81 A82	D74-Q78 PolarHBondContact O-N 2.63Å; I75-Q78 PolarHBondContact O-N 3.39Å; Q78-R81 WeakPolarHBondContact O-CB 3.41Å; Q78-R81 PolarHBondContact O-N 3.24Å; Q78-A82 PolarHBondContact O-N 2.8Å
79	T	90.3	Very high	83.6	Confident	63 Å²	63	60.2 Å²	60.2	39%	0.387	34%	0.338	S	S	.	.	H	α-helix	trans	-63.7	-45.4	175.9	-54.4	0	0	0	0	111.1	I75 H76 I77 R81 A82 L83	I75-T79 PolarHBondContact O-N 3.03Å; I75-T79 PolarHBondContact O-OG1 2.95Å; H76-T79 PolarHBondContact O-N 3.17Å; I77-T79 VanDerWaalsContact C-N 3.32Å; I77-T79 PolarHBondContact O-N 2.88Å; T79-R81 VanDerWaalsContact C-N 3.34Å; T79-R81 PolarHBondContact O-N 2.95Å; T79-A82 PolarHBondContact O-N 2.93Å; T79-L83 HydrophobicContact CG2-CD1 4.25Å; T79-L83 WeakPolarHBondContact O-CG 3.41Å; T79-L83 PolarHBondContact O-N 3.32Å
80	C	92.4	Very high	85.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-60.6	-41.1	175.8	-70.5	0	0	0	0	112.2	L50 H76 I77 L83 M84 S136 Y140	L50-C80 HydrophobicContact CD1-CB 4.07Å; H76-C80 PolarHBondContact O-N 3.46Å; H76-C80 PolarHBondContact O-SG 3.31Å; I77-C80 PolarHBondContact O-N 3.1Å; C80-L83 PolarHBondContact O-N 3.36Å; C80-M84 WeakPolarHBondContact O-CB 3.48Å; C80-M84 VanDerWaalsContact O-CG 3.24Å; C80-M84 WeakPolarHBondContact O-CG 3.3Å; C80-M84 PolarHBondContact O-N 2.91Å; C80-S136 VanDerWaalsContact CA-OG 3.29Å; C80-S136 WeakPolarHBondContact CA-OG 3.43Å; C80-S136 WeakPolarHBondContact CB-OG 3.44Å; C80-S136 PolarHBondContact O-OG 3.35Å; C80-S136 PolarHBondContact SG-O 2.93Å; C80-Y140 HydrophobicContact CB-CD2 4.48Å
81	R	92.9	Very high	87.2	Confident	11 Å²	11	53.8 Å²	53.8	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-57.3	-50.8	173.5	-74.1	175.8	179.7	167.5	-3.2	111.8	L50 W51 M70 L73 I77 Q78 T79 L83 M84 V85	L50-R81 HydrophobicContact CD2-CB 4.25Å; L50-R81 HydrophobicContact CD2-CG 3.72Å; L50-R81 HydrophobicContact CG-CG 3.59Å; L50-R81 PolarHBondContact O-NE 3.27Å; L50-R81 PolarHBondContact O-NH2 2.71Å; W51-R81 HydrophobicContact CZ2-CG 4.48Å; M70-R81 PolarHBondContact SD-NH1 3.33Å; L73-R81 VanDerWaalsContact CD2-CZ 3.47Å; I77-R81 WeakPolarHBondContact O-CG 3.37Å; I77-R81 PolarHBondContact O-N 2.83Å; Q78-R81 WeakPolarHBondContact O-CB 3.41Å; Q78-R81 PolarHBondContact O-N 3.24Å; T79-R81 VanDerWaalsContact C-N 3.34Å; T79-R81 PolarHBondContact O-N 2.95Å; R81-L83 VanDerWaalsContact C-N 3.35Å; R81-L83 PolarHBondContact O-N 2.95Å; R81-M84 PolarHBondContact O-N 3.46Å; R81-V85 VanDerWaalsContact O-CG2 3.3Å; R81-V85 WeakPolarHBondContact O-CG2 3.49Å; R81-V85 PolarHBondContact O-N 3.42Å
82	A	93.3	Very high	89.3	Confident	51 Å²	51	50.6 Å²	50.6	42%	0.421	28%	0.279	S	S	.	.	H	α-helix	trans	-59.4	-47	-179.9	0	0	0	0	0	111.1	Q78 T79 M84 V85 I86	Q78-A82 PolarHBondContact O-N 2.8Å; T79-A82 PolarHBondContact O-N 2.93Å; A82-M84 PolarHBondContact O-N 3.4Å; A82-V85 PolarHBondContact O-N 2.9Å; A82-I86 WeakPolarHBondContact O-CB 3.33Å; A82-I86 WeakPolarHBondContact O-CD1 3.34Å; A82-I86 WeakPolarHBondContact O-CG1 3.33Å; A82-I86 PolarHBondContact O-N 3.49Å
83	L	94.7	Very high	91.4	Very high	45 Å²	45	49.3 Å²	49.3	24%	0.236	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-41.9	178.1	-70.7	174.1	0	0	0	112.8	T79 C80 R81 S87 V135	T79-L83 HydrophobicContact CG2-CD1 4.25Å; T79-L83 WeakPolarHBondContact O-CG 3.41Å; T79-L83 PolarHBondContact O-N 3.32Å; C80-L83 PolarHBondContact O-N 3.36Å; R81-L83 VanDerWaalsContact C-N 3.35Å; R81-L83 PolarHBondContact O-N 2.95Å; L83-S87 VanDerWaalsContact O-CB 3.3Å; L83-S87 WeakPolarHBondContact O-CB 3.35Å; L83-S87 PolarHBondContact O-N 3.27Å; L83-V135 HydrophobicContact CD1-CG1 4.32Å
84	M	95.9	Very high	92.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.1	-44	177.3	-68.7	-58.3	-68.4	0	0	111.5	I21 T24 T25 W30 L50 C80 R81 A82 S87 V88 T133 V137	I21-M84 HydrophobicContact CG2-CE 3.99Å; T24-M84 HydrophobicContact CG2-CE 3.97Å; T25-M84 HydrophobicContact CG2-CB 4.18Å; T25-M84 WeakPolarHBondContact OG1-CE 3.44Å; W30-M84 HydrophobicContact CH2-CE 4.3Å; W30-M84 HydrophobicContact CH2-CG 3.88Å; W30-M84 HydrophobicContact CH2-SD 3.88Å; W30-M84 HydrophobicContact CZ2-CE 4.12Å; W30-M84 HydrophobicContact CZ2-CG 4.12Å; W30-M84 HydrophobicContact CZ2-SD 4.26Å; L50-M84 HydrophobicContact CD2-CB 4.17Å; L50-M84 HydrophobicContact CD2-CG 3.92Å; C80-M84 WeakPolarHBondContact O-CB 3.48Å; C80-M84 VanDerWaalsContact O-CG 3.24Å; C80-M84 WeakPolarHBondContact O-CG 3.3Å; C80-M84 PolarHBondContact O-N 2.91Å; R81-M84 PolarHBondContact O-N 3.46Å; A82-M84 PolarHBondContact O-N 3.4Å; M84-S87 WeakPolarHBondContact O-CB 3.31Å; M84-S87 PolarHBondContact O-N 2.88Å; M84-V88 WeakPolarHBondContact O-CG2 3.45Å; M84-V88 PolarHBondContact O-N 3.17Å; M84-T133 HydrophobicContact CE-CG2 4.04Å; M84-T133 HydrophobicContact SD-CG2 3.98Å; M84-V137 HydrophobicContact SD-CG2 4.38Å
85	V	96.1	Very high	93.6	Very high	58 Å²	58	45.2 Å²	45.2	35%	0.352	24%	0.24	S	C	.	.	H	α-helix	trans	-63.6	-45.3	177.7	172.7	0	0	0	0	111.1	W51 R81 A82 S87 V88 L89	W51-V85 HydrophobicContact CH2-CG2 4.09Å; W51-V85 HydrophobicContact CZ2-CG2 3.93Å; R81-V85 VanDerWaalsContact O-CG2 3.3Å; R81-V85 WeakPolarHBondContact O-CG2 3.49Å; R81-V85 PolarHBondContact O-N 3.42Å; A82-V85 PolarHBondContact O-N 2.9Å; V85-S87 VanDerWaalsContact C-N 3.3Å; V85-S87 PolarHBondContact O-N 3.26Å; V85-V88 PolarHBondContact O-N 3.49Å; V85-L89 HydrophobicContact CG1-CD1 4.24Å; V85-L89 WeakPolarHBondContact O-CG 3.46Å; V85-L89 PolarHBondContact O-N 3.43Å
86	I	96.7	Very high	94.2	Very high	83 Å²	83	43.9 Å²	43.9	43%	0.426	23%	0.234	S	C	.	.	H	α-helix	trans	-59.3	-44.1	175.5	-69.3	165.5	0	0	0	110.2	A82 V88 L89 L90	A82-I86 WeakPolarHBondContact O-CB 3.33Å; A82-I86 WeakPolarHBondContact O-CD1 3.34Å; A82-I86 WeakPolarHBondContact O-CG1 3.33Å; A82-I86 PolarHBondContact O-N 3.49Å; I86-V88 PolarHBondContact O-N 3.31Å; I86-L89 PolarHBondContact O-N 3.11Å; I86-L90 HydrophobicContact CG2-CD1 3.82Å; I86-L90 HydrophobicContact CG2-CG 4.18Å; I86-L90 WeakPolarHBondContact O-CB 3.34Å; I86-L90 VanDerWaalsContact O-CG 3.31Å; I86-L90 WeakPolarHBondContact O-CG 3.32Å; I86-L90 PolarHBondContact O-N 3.49Å
87	S	96.8	Very high	94.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59	-45	176.4	179.4	0	0	0	0	112.7	L83 M84 V85 L89 L90 G91 A129 T133	L83-S87 VanDerWaalsContact O-CB 3.3Å; L83-S87 WeakPolarHBondContact O-CB 3.35Å; L83-S87 PolarHBondContact O-N 3.27Å; M84-S87 WeakPolarHBondContact O-CB 3.31Å; M84-S87 PolarHBondContact O-N 2.88Å; V85-S87 VanDerWaalsContact C-N 3.3Å; V85-S87 PolarHBondContact O-N 3.26Å; S87-L89 PolarHBondContact O-N 3.48Å; S87-L90 PolarHBondContact O-N 3.36Å; S87-G91 PolarHBondContact O-N 3.45Å; S87-A129 WeakPolarHBondContact O-CB 3.37Å; S87-A129 PolarHBondContact OG-O 2.96Å; S87-T133 WeakPolarHBondContact CB-OG1 3.4Å; S87-T133 PolarHBondContact OG-OG1 3.49Å
88	V	97.5	Very high	94.8	Very high	35 Å²	35	44.2 Å²	44.2	21%	0.212	24%	0.237	C	C	.	.	H	α-helix	trans	-61.1	-44.3	176.8	172	0	0	0	0	111.3	W18 I21 I22 M84 V85 I86 G91 F92	W18-V88 PolarHBondContact NE1-O 3.44Å; I21-V88 HydrophobicContact CG2-CG2 3.81Å; I22-V88 HydrophobicContact CG1-CG1 4.17Å; I22-V88 HydrophobicContact CG1-CG2 4.19Å; M84-V88 WeakPolarHBondContact O-CG2 3.45Å; M84-V88 PolarHBondContact O-N 3.17Å; V85-V88 PolarHBondContact O-N 3.49Å; I86-V88 PolarHBondContact O-N 3.31Å; V88-G91 PolarHBondContact O-N 2.99Å; V88-F92 PolarHBondContact O-N 3.37Å
89	L	97.8	Very high	94.8	Very high	100 Å²	100	42.1 Å²	42.1	52%	0.524	23%	0.231	S	C	.	.	H	α-helix	trans	-65.3	-45.7	178.4	-68.1	176.2	0	0	0	112.1	V85 I86 S87 G91 F92 I93	V85-L89 HydrophobicContact CG1-CD1 4.24Å; V85-L89 WeakPolarHBondContact O-CG 3.46Å; V85-L89 PolarHBondContact O-N 3.43Å; I86-L89 PolarHBondContact O-N 3.11Å; S87-L89 PolarHBondContact O-N 3.48Å; L89-G91 VanDerWaalsContact C-N 3.31Å; L89-G91 PolarHBondContact O-N 3.29Å; L89-F92 PolarHBondContact O-N 3.35Å; L89-I93 WeakPolarHBondContact O-CG1 3.39Å; L89-I93 PolarHBondContact O-N 3.04Å
90	L	97.1	Very high	94.7	Very high	40 Å²	40	41.8 Å²	41.8	21%	0.209	23%	0.229	C	C	.	.	H	α-helix	trans	-60.4	-42.4	175.7	-73.2	175.5	0	0	0	111.4	I86 S87 I93 G94 L125 L128 A129	I86-L90 HydrophobicContact CG2-CD1 3.82Å; I86-L90 HydrophobicContact CG2-CG 4.18Å; I86-L90 WeakPolarHBondContact O-CB 3.34Å; I86-L90 VanDerWaalsContact O-CG 3.31Å; I86-L90 WeakPolarHBondContact O-CG 3.32Å; I86-L90 PolarHBondContact O-N 3.49Å; S87-L90 PolarHBondContact O-N 3.36Å; L90-I93 PolarHBondContact O-N 3.01Å; L90-G94 PolarHBondContact O-N 3.42Å; L90-L125 HydrophobicContact CD2-CD2 4.1Å; L90-L128 HydrophobicContact CD1-CB 4.27Å; L90-A129 HydrophobicContact CB-CB 4.01Å
91	G	96.8	Very high	94.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-40.1	175.4	0	0	0	0	0	112.8	S87 V88 L89 G94 I95	S87-G91 PolarHBondContact O-N 3.45Å; V88-G91 PolarHBondContact O-N 2.99Å; L89-G91 VanDerWaalsContact C-N 3.31Å; L89-G91 PolarHBondContact O-N 3.29Å; G91-G94 CarbonylContact O-C 2.97Å; G91-G94 WeakPolarHBondContact O-CA 3.19Å; G91-G94 PolarHBondContact O-N 3Å; G91-I95 WeakPolarHBondContact O-CG1 3.48Å; G91-I95 PolarHBondContact O-N 3.49Å
92	F	97.3	Very high	93.7	Very high	109 Å²	109	42.1 Å²	42.1	48%	0.478	23%	0.232	S	C	.	.	H	α-helix	trans	-62.7	-46.6	176.1	179.8	-106.1	0	0	0	112.1	W18 V88 L89 G94 I95 I96	W18-F92 HydrophobicContact CH2-CD2 4.37Å; W18-F92 HydrophobicContact CZ2-CB 4.01Å; W18-F92 HydrophobicContact CZ2-CD2 4.12Å; V88-F92 PolarHBondContact O-N 3.37Å; L89-F92 PolarHBondContact O-N 3.35Å; F92-G94 VanDerWaalsContact C-N 3.28Å; F92-G94 PolarHBondContact O-N 2.91Å; F92-I95 WeakPolarHBondContact O-CB 3.41Å; F92-I95 PolarHBondContact O-N 3.09Å; F92-I96 HydrophobicContact CD1-CD1 4.15Å; F92-I96 HydrophobicContact CE1-CD1 3.63Å; F92-I96 HydrophobicContact CZ-CD1 3.85Å; F92-I96 PolarHBondContact O-N 3.22Å
93	I	96.9	Very high	92.7	Very high	85 Å²	85	44 Å²	44	44%	0.436	23%	0.231	S	C	.	.	H	α-helix	trans	-62.3	-41.1	174.3	-61.6	167	0	0	0	109.8	L89 L90 I95 I96 V97 L125	L89-I93 WeakPolarHBondContact O-CG1 3.39Å; L89-I93 PolarHBondContact O-N 3.04Å; L90-I93 PolarHBondContact O-N 3.01Å; I93-I95 VanDerWaalsContact C-N 3.34Å; I93-I95 PolarHBondContact O-N 2.92Å; I93-I96 PolarHBondContact O-N 2.87Å; I93-V97 HydrophobicContact CG2-CG2 4.1Å; I93-V97 WeakPolarHBondContact O-CB 3.39Å; I93-V97 VanDerWaalsContact O-CG2 3.22Å; I93-V97 WeakPolarHBondContact O-CG2 3.29Å; I93-V97 PolarHBondContact O-N 3.35Å; I93-L125 HydrophobicContact CB-CD1 4.48Å; I93-L125 HydrophobicContact CG2-CD1 3.84Å
94	G	95.4	Very high	91.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-55.8	-43.9	174.8	0	0	0	0	0	113	L90 G91 F92 V97 S98	L90-G94 PolarHBondContact O-N 3.42Å; G91-G94 CarbonylContact O-C 2.97Å; G91-G94 WeakPolarHBondContact O-CA 3.19Å; G91-G94 PolarHBondContact O-N 3Å; F92-G94 VanDerWaalsContact C-N 3.28Å; F92-G94 PolarHBondContact O-N 2.91Å; G94-V97 PolarHBondContact O-N 3.45Å; G94-S98 WeakPolarHBondContact O-CB 3.41Å; G94-S98 PolarHBondContact O-N 3.44Å; G94-S98 PolarHBondContact O-OG 2.97Å; G94-S98 VanDerWaalsContact O-OG 3.1Å
95	I	95.1	Very high	90.3	Very high	26 Å²	26	48.8 Å²	48.8	13%	0.133	27%	0.265	C	S	.	.	H	α-helix	trans	-57.4	-52.8	175.8	-68.3	168.5	0	0	0	110.6	L15 W18 G91 F92 I93 V97 S98 V99 F126	L15-I95 HydrophobicContact CD2-CD1 3.65Å; L15-I95 HydrophobicContact CD2-CG1 3.65Å; L15-I95 HydrophobicContact CD2-CG2 4.21Å; W18-I95 HydrophobicContact CD2-CD1 3.58Å; W18-I95 HydrophobicContact CE3-CD1 3.53Å; W18-I95 HydrophobicContact CG-CD1 4.12Å; W18-I95 HydrophobicContact CH2-CD1 4.16Å; W18-I95 HydrophobicContact CZ2-CD1 4.21Å; W18-I95 HydrophobicContact CZ3-CD1 3.84Å; G91-I95 WeakPolarHBondContact O-CG1 3.48Å; G91-I95 PolarHBondContact O-N 3.49Å; F92-I95 WeakPolarHBondContact O-CB 3.41Å; F92-I95 PolarHBondContact O-N 3.09Å; I93-I95 VanDerWaalsContact C-N 3.34Å; I93-I95 PolarHBondContact O-N 2.92Å; I95-V97 PolarHBondContact O-N 3.45Å; I95-S98 PolarHBondContact O-N 3.13Å; I95-V99 HydrophobicContact CG2-CG2 4.45Å; I95-V99 VanDerWaalsContact O-CG2 3.27Å; I95-V99 WeakPolarHBondContact O-CG2 3.37Å; I95-V99 PolarHBondContact O-N 3.43Å; I95-F126 HydrophobicContact CB-CZ 4.36Å; I95-F126 HydrophobicContact CG1-CE1 4.02Å; I95-F126 HydrophobicContact CG1-CZ 3.56Å
96	I	94.2	Very high	88.8	Confident	88 Å²	88	55 Å²	55	45%	0.451	29%	0.287	S	S	.	.	H	α-helix	trans	-60.2	-49.1	-177.6	-62.5	170.3	0	0	0	110.1	F92 I93 S98 V99 V100	F92-I96 HydrophobicContact CD1-CD1 4.15Å; F92-I96 HydrophobicContact CE1-CD1 3.63Å; F92-I96 HydrophobicContact CZ-CD1 3.85Å; F92-I96 PolarHBondContact O-N 3.22Å; I93-I96 PolarHBondContact O-N 2.87Å; I96-S98 PolarHBondContact O-N 2.85Å; I96-V99 PolarHBondContact O-N 3.45Å; I96-V100 WeakPolarHBondContact O-CG2 3.28Å; I96-V100 PolarHBondContact O-N 3.46Å; I96-V100 VanDerWaalsContact O-N 3.13Å
97	V	92.5	Very high	87.1	Confident	34 Å²	34	55.5 Å²	55.5	21%	0.206	29%	0.294	C	S	.	.	H	α-helix	trans	-62.4	-43.9	-179.6	174.6	0	0	0	0	111	I93 G94 I95 V100 G101 I118 T121 L125	I93-V97 HydrophobicContact CG2-CG2 4.1Å; I93-V97 WeakPolarHBondContact O-CB 3.39Å; I93-V97 VanDerWaalsContact O-CG2 3.22Å; I93-V97 WeakPolarHBondContact O-CG2 3.29Å; I93-V97 PolarHBondContact O-N 3.35Å; G94-V97 PolarHBondContact O-N 3.45Å; I95-V97 PolarHBondContact O-N 3.45Å; V97-V100 PolarHBondContact O-N 2.94Å; V97-G101 PolarHBondContact O-N 2.9Å; V97-I118 HydrophobicContact CG1-CG2 3.93Å; V97-I118 VanDerWaalsContact CG1-O 3.3Å; V97-I118 WeakPolarHBondContact CG1-O 3.46Å; V97-I118 WeakPolarHBondContact O-CG2 3.39Å; V97-T121 HydrophobicContact CG1-CG2 4.47Å; V97-L125 HydrophobicContact CB-CD1 4.44Å; V97-L125 HydrophobicContact CG2-CD1 4.13Å
98	S	90.9	Very high	85.3	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.007	33%	0.327	C	S	.	.	H	α-helix	trans	-64.1	-41.1	177.6	-73.6	0	0	0	0	112.5	G94 I95 I96 V100 G101 M102	G94-S98 WeakPolarHBondContact O-CB 3.41Å; G94-S98 PolarHBondContact O-N 3.44Å; G94-S98 PolarHBondContact O-OG 2.97Å; G94-S98 VanDerWaalsContact O-OG 3.1Å; I95-S98 PolarHBondContact O-N 3.13Å; I96-S98 PolarHBondContact O-N 2.85Å; S98-V100 VanDerWaalsContact C-N 3.35Å; S98-V100 PolarHBondContact O-N 3.27Å; S98-G101 PolarHBondContact O-N 3.45Å; S98-M102 WeakPolarHBondContact O-CE 3.36Å; S98-M102 WeakPolarHBondContact O-CG 3.41Å; S98-M102 PolarHBondContact O-N 3.26Å
99	V	89.9	Confident	83.3	Confident	55 Å²	55	63 Å²	63	33%	0.333	35%	0.348	S	S	.	.	H	α-helix	trans	-60.6	-43.3	176.2	171.2	0	0	0	0	111.4	Y11 I95 I96 M102 T105	Y11-V99 HydrophobicContact CE2-CG2 4.13Å; Y11-V99 WeakPolarHBondContact OH-CG2 3.47Å; I95-V99 HydrophobicContact CG2-CG2 4.45Å; I95-V99 VanDerWaalsContact O-CG2 3.27Å; I95-V99 WeakPolarHBondContact O-CG2 3.37Å; I95-V99 PolarHBondContact O-N 3.43Å; I96-V99 PolarHBondContact O-N 3.45Å; V99-M102 HydrophobicContact CG2-CE 4.24Å; V99-T105 VanDerWaalsContact O-CB 3.27Å; V99-T105 WeakPolarHBondContact O-CB 3.34Å; V99-T105 PolarHBondContact O-OG1 2.95Å
100	V	88	Confident	81.5	Confident	57 Å²	57	65.1 Å²	65.1	35%	0.345	36%	0.36	S	S	.	.	H	α-helix	trans	-68.4	-37.4	177	177.7	0	0	0	0	111.5	I96 V97 S98 I118	I96-V100 WeakPolarHBondContact O-CG2 3.28Å; I96-V100 PolarHBondContact O-N 3.46Å; I96-V100 VanDerWaalsContact O-N 3.13Å; V97-V100 PolarHBondContact O-N 2.94Å; S98-V100 VanDerWaalsContact C-N 3.35Å; S98-V100 PolarHBondContact O-N 3.27Å; V100-I118 HydrophobicContact CB-CG2 4.44Å; V100-I118 HydrophobicContact CG1-CG2 4.38Å
101	G	82.7	Confident	80.2	Confident	2 Å²	2	68.1 Å²	68.1	2%	0.021	38%	0.377	C	S	.	.	H	α-helix	trans	-76.6	-16.3	-179.9	0	0	0	0	0	115.4	V97 S98 K115	V97-G101 PolarHBondContact O-N 2.9Å; S98-G101 PolarHBondContact O-N 3.45Å; G101-K115 VanDerWaalsContact O-CG 3.29Å; G101-K115 WeakPolarHBondContact O-CG 3.46Å
102	M	82.9	Confident	79	Confident	16 Å²	16	73.1 Å²	73.1	8%	0.079	41%	0.409	C	S	.	.	S	Bend	trans	-70.5	137.9	-175.7	-90.8	-177.1	-102.9	0	0	113.5	Q7 Y11 S98 V99 C104 T105 K115	Q7-M102 HydrophobicContact CG-CG 4.33Å; Y11-M102 HydrophobicContact CD1-CE 3.63Å; Y11-M102 HydrophobicContact CD1-SD 4.16Å; Y11-M102 HydrophobicContact CD2-CE 3.17Å; Y11-M102 HydrophobicContact CD2-SD 4.42Å; Y11-M102 HydrophobicContact CE1-CE 3.81Å; Y11-M102 HydrophobicContact CE2-CE 3.37Å; Y11-M102 HydrophobicContact CG-CE 3.29Å; Y11-M102 HydrophobicContact CG-SD 4.01Å; S98-M102 WeakPolarHBondContact O-CE 3.36Å; S98-M102 WeakPolarHBondContact O-CG 3.41Å; S98-M102 PolarHBondContact O-N 3.26Å; V99-M102 HydrophobicContact CG2-CE 4.24Å; M102-C104 PolarHBondContact O-N 2.99Å; M102-C104 VanDerWaalsContact O-N 3.09Å; M102-T105 PolarHBondContact O-N 3.38Å; M102-K115 VanDerWaalsContact C-CE 3.4Å; M102-K115 WeakPolarHBondContact O-CE 2.99Å; M102-K115 PolarHBondContact O-NZ 2.92Å
103	K	72.1	Confident	78	Confident	91 Å²	91	70.4 Å²	70.4	40%	0.396	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.7	-179.2	-69.9	-171.6	-178.4	175.3	0	113.5	T105 K115 D189	K103-T105 VanDerWaalsContact C-N 3.29Å; K103-T105 PolarHBondContact O-N 3.29Å; K103-K115 PolarHBondContact O-NZ 3.37Å; K103-K115 VanDerWaalsContact O-NZ 3.15Å; K103-D189 IonicContact NZ-OD2 2.63Å; K103-D189 PolarHBondContact NZ-OD2 2.99Å
104	C	69.1	Low	77.1	Confident	110 Å²	110	70 Å²	70	74%	0.743	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-16.3	178.9	-53.3	0	0	0	0	114.3	M102	M102-C104 PolarHBondContact O-N 2.99Å; M102-C104 VanDerWaalsContact O-N 3.09Å
105	T	71.1	Confident	76.4	Confident	34 Å²	34	72.3 Å²	72.3	21%	0.209	42%	0.415	C	S	.	.			trans	-93.7	118.3	-178	-51.8	0	0	0	0	110.3	V99 M102 K103 V107 K115	V99-T105 VanDerWaalsContact O-CB 3.27Å; V99-T105 WeakPolarHBondContact O-CB 3.34Å; V99-T105 PolarHBondContact O-OG1 2.95Å; M102-T105 PolarHBondContact O-N 3.38Å; K103-T105 VanDerWaalsContact C-N 3.29Å; K103-T105 PolarHBondContact O-N 3.29Å; T105-V107 HydrophobicContact CG2-CB 3.94Å; T105-V107 HydrophobicContact CG2-CG2 3.73Å; T105-V107 PolarHBondContact O-N 3.43Å; T105-K115 PolarHBondContact O-NZ 2.99Å
106	K	64.8	Low	75.8	Confident	188 Å²	188	71.9 Å²	71.9	82%	0.817	41%	0.414	S	S	*	.			trans	-87.7	48.4	176.8	-163.3	-173.9	167.5	76	0	111.2
107	V	60.4	Low	75.3	Confident	94 Å²	94	76.3 Å²	76.3	57%	0.57	43%	0.425	S	S	*	.			trans	-107.5	121.1	173	173.4	0	0	0	0	107.1	T105	T105-V107 HydrophobicContact CG2-CB 3.94Å; T105-V107 HydrophobicContact CG2-CG2 3.73Å; T105-V107 PolarHBondContact O-N 3.43Å
108	G	58	Low	75.1	Confident	67 Å²	67	77.3 Å²	77.3	69%	0.691	43%	0.429	S	S	*	.			trans	79	74.2	-176.1	0	0	0	0	0	112.5	N110	G108-N110 PolarHBondContact O-N 2.89Å
109	D	56.6	Low	74.9	Confident	125 Å²	125	77.4 Å²	77.4	67%	0.668	43%	0.429	S	S	*	.			trans	-61.8	126.5	153.7	-135.9	-17.4	0	0	0	106
110	N	59.5	Low	74.9	Confident	145 Å²	145	76.8 Å²	76.8	78%	0.775	43%	0.425	S	S	*	.	S	Bend	trans	167.4	-23.6	150.2	-78.2	-16.8	0	0	0	114.7	G108	G108-N110 PolarHBondContact O-N 2.89Å
111	N	69.4	Low	75.1	Confident	104 Å²	104	77.7 Å²	77.7	56%	0.556	43%	0.431	S	S	*	.			trans	-159.4	126.9	173.8	-88.6	-44	0	0	0	114.8	S113 T114 K115	N111-S113 VanDerWaalsContact C-N 3.31Å; N111-S113 PolarHBondContact O-N 3.4Å; N111-T114 PolarHBondContact O-N 3.48Å; N111-K115 PolarHBondContact O-N 3.31Å
112	P	73.3	Confident	75.6	Confident	104 Å²	104	77.6 Å²	77.6	68%	0.675	43%	0.43	S	S	*	.	H	α-helix	trans	-65.8	-30.1	179.6	26.2	-33.8	0	0	0	113.4	T116	P112-T116 PolarHBondContact O-N 3.26Å; P112-T116 PolarHBondContact O-OG1 2.9Å; P112-T116 VanDerWaalsContact O-OG1 3.05Å
113	S	74.3	Confident	76.1	Confident	53 Å²	53	76.8 Å²	76.8	37%	0.371	43%	0.427	S	S	.	.	H	α-helix	trans	-66.3	-40.1	178.1	52.7	0	0	0	0	112.8	N111 T116 R117	N111-S113 VanDerWaalsContact C-N 3.31Å; N111-S113 PolarHBondContact O-N 3.4Å; S113-T116 PolarHBondContact O-N 3.04Å; S113-R117 WeakPolarHBondContact O-CG 3.39Å; S113-R117 PolarHBondContact O-N 3.42Å; S113-R117 VanDerWaalsContact O-N 3.08Å
114	T	79.8	Confident	77.2	Confident	75 Å²	75	74.3 Å²	74.3	46%	0.46	42%	0.423	S	S	.	.	H	α-helix	trans	-66.7	-41	179.2	-59.2	0	0	0	0	110.8	N111 T116 R117 I118	N111-T114 PolarHBondContact O-N 3.48Å; T114-T116 VanDerWaalsContact C-N 3.35Å; T114-T116 PolarHBondContact O-N 3.26Å; T114-R117 PolarHBondContact O-N 2.91Å; T114-I118 HydrophobicContact CG2-CD1 3.97Å; T114-I118 VanDerWaalsContact O-CG1 3.28Å; T114-I118 WeakPolarHBondContact O-CG1 3.2Å; T114-I118 PolarHBondContact O-N 3.26Å
115	K	80.1	Confident	78.5	Confident	50 Å²	50	70.6 Å²	70.6	22%	0.217	40%	0.396	C	S	.	.	H	α-helix	trans	-61.6	-41.7	176.9	-168.2	167.3	-173	176.4	0	112.4	G101 M102 K103 T105 N111 I118 A119	G101-K115 VanDerWaalsContact O-CG 3.29Å; G101-K115 WeakPolarHBondContact O-CG 3.46Å; M102-K115 VanDerWaalsContact C-CE 3.4Å; M102-K115 WeakPolarHBondContact O-CE 2.99Å; M102-K115 PolarHBondContact O-NZ 2.92Å; K103-K115 PolarHBondContact O-NZ 3.37Å; K103-K115 VanDerWaalsContact O-NZ 3.15Å; T105-K115 PolarHBondContact O-NZ 2.99Å; N111-K115 PolarHBondContact O-N 3.31Å; K115-I118 PolarHBondContact O-N 3.05Å; K115-A119 PolarHBondContact O-N 3.42Å
116	T	81.4	Confident	79.8	Confident	17 Å²	17	69 Å²	69	10%	0.104	39%	0.386	C	S	.	.	H	α-helix	trans	-61.5	-45.7	173.8	-58.2	0	0	0	0	111.8	P112 S113 T114 I118 A119 V120 C186 D190	P112-T116 PolarHBondContact O-N 3.26Å; P112-T116 PolarHBondContact O-OG1 2.9Å; P112-T116 VanDerWaalsContact O-OG1 3.05Å; S113-T116 PolarHBondContact O-N 3.04Å; T114-T116 VanDerWaalsContact C-N 3.35Å; T114-T116 PolarHBondContact O-N 3.26Å; T116-I118 VanDerWaalsContact C-N 3.35Å; T116-I118 PolarHBondContact O-N 3.42Å; T116-A119 PolarHBondContact O-N 3.4Å; T116-V120 WeakPolarHBondContact O-CG2 3.4Å; T116-V120 PolarHBondContact O-N 3.45Å; T116-C186 HydrophobicContact CG2-CB 3.7Å; T116-C186 VanDerWaalsContact CG2-O 3.28Å; T116-C186 WeakPolarHBondContact CG2-O 3.24Å; T116-D190 HydrophobicContact CG2-CB 4.29Å
117	R	84.6	Confident	81.3	Confident	180 Å²	180	62.1 Å²	62.1	68%	0.679	36%	0.358	S	S	*	.	H	α-helix	trans	-62.3	-40.4	178	-69.2	-177.6	72.2	-164.8	2.1	112.6	S113 T114 V120 T121	S113-R117 WeakPolarHBondContact O-CG 3.39Å; S113-R117 PolarHBondContact O-N 3.42Å; S113-R117 VanDerWaalsContact O-N 3.08Å; T114-R117 PolarHBondContact O-N 2.91Å; R117-V120 PolarHBondContact O-N 3.3Å; R117-T121 WeakPolarHBondContact O-CB 3.48Å; R117-T121 PolarHBondContact O-N 3.45Å; R117-T121 PolarHBondContact O-OG1 3.2Å
118	I	87.8	Confident	83	Confident	56 Å²	56	62 Å²	62	29%	0.287	35%	0.354	S	S	.	.	H	α-helix	trans	-62.8	-44.9	175.7	-65.7	165.8	0	0	0	110.1	V97 V100 T114 K115 T116 V120 T121 G122	V97-I118 HydrophobicContact CG1-CG2 3.93Å; V97-I118 VanDerWaalsContact CG1-O 3.3Å; V97-I118 WeakPolarHBondContact CG1-O 3.46Å; V97-I118 WeakPolarHBondContact O-CG2 3.39Å; V100-I118 HydrophobicContact CB-CG2 4.44Å; V100-I118 HydrophobicContact CG1-CG2 4.38Å; T114-I118 HydrophobicContact CG2-CD1 3.97Å; T114-I118 VanDerWaalsContact O-CG1 3.28Å; T114-I118 WeakPolarHBondContact O-CG1 3.2Å; T114-I118 PolarHBondContact O-N 3.26Å; K115-I118 PolarHBondContact O-N 3.05Å; T116-I118 VanDerWaalsContact C-N 3.35Å; T116-I118 PolarHBondContact O-N 3.42Å; I118-V120 PolarHBondContact O-N 3.34Å; I118-T121 WeakPolarHBondContact O-CB 3.41Å; I118-T121 PolarHBondContact O-N 3Å; I118-G122 PolarHBondContact O-N 2.98Å
119	A	87.3	Confident	84.9	Confident	2 Å²	2	58.9 Å²	58.9	2%	0.017	32%	0.321	C	S	.	.	H	α-helix	trans	-61.6	-43	177.5	0	0	0	0	0	113	K115 T116 T121 G122 G123	K115-A119 PolarHBondContact O-N 3.42Å; T116-A119 PolarHBondContact O-N 3.4Å; A119-T121 VanDerWaalsContact C-N 3.33Å; A119-G122 PolarHBondContact O-N 2.95Å; A119-G123 PolarHBondContact O-N 2.67Å
120	V	89.6	Confident	86.9	Confident	42 Å²	42	52.9 Å²	52.9	26%	0.255	29%	0.289	S	S	.	.	H	α-helix	trans	-63	-40.7	175.1	173.6	0	0	0	0	111	T116 R117 I118 G122 G123 A124 C186	T116-V120 WeakPolarHBondContact O-CG2 3.4Å; T116-V120 PolarHBondContact O-N 3.45Å; R117-V120 PolarHBondContact O-N 3.3Å; I118-V120 PolarHBondContact O-N 3.34Å; V120-G122 VanDerWaalsContact C-N 3.33Å; V120-G122 PolarHBondContact O-N 3.43Å; V120-G123 PolarHBondContact O-N 3.14Å; V120-A124 PolarHBondContact O-N 3.15Å; V120-C186 HydrophobicContact CG2-CB 3.53Å
121	T	92.1	Very high	88.7	Confident	76 Å²	76	50.1 Å²	50.1	47%	0.466	27%	0.274	S	S	.	.	H	α-helix	trans	-62	-42.5	177	-53.6	0	0	0	0	111	V97 R117 I118 A119 A124 L125	V97-T121 HydrophobicContact CG1-CG2 4.47Å; R117-T121 WeakPolarHBondContact O-CB 3.48Å; R117-T121 PolarHBondContact O-N 3.45Å; R117-T121 PolarHBondContact O-OG1 3.2Å; I118-T121 WeakPolarHBondContact O-CB 3.41Å; I118-T121 PolarHBondContact O-N 3Å; A119-T121 VanDerWaalsContact C-N 3.33Å; T121-A124 PolarHBondContact O-N 3.5Å; T121-L125 WeakPolarHBondContact O-CG 3.36Å; T121-L125 PolarHBondContact O-N 2.95Å
122	G	93.1	Very high	90	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.5	-43.2	174.2	0	0	0	0	0	112.7	I118 A119 V120 A124 L125 F126	I118-G122 PolarHBondContact O-N 2.98Å; A119-G122 PolarHBondContact O-N 2.95Å; V120-G122 VanDerWaalsContact C-N 3.33Å; V120-G122 PolarHBondContact O-N 3.43Å; G122-A124 PolarHBondContact O-N 2.88Å; G122-L125 PolarHBondContact O-N 3.09Å; G122-F126 VanDerWaalsContact O-CD2 3.27Å; G122-F126 WeakPolarHBondContact O-CD2 3.44Å; G122-F126 PolarHBondContact O-N 2.63Å; G122-F126 VanDerWaalsContact O-N 3.12Å
123	G	93.7	Very high	91.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.8	-41.9	173.9	0	0	0	0	0	113.1	A119 V120 L125 F126 L127 G179	A119-G123 PolarHBondContact O-N 2.67Å; V120-G123 PolarHBondContact O-N 3.14Å; G123-L125 PolarHBondContact O-N 2.93Å; G123-F126 PolarHBondContact O-N 3.19Å; G123-L127 WeakPolarHBondContact O-CG 3.44Å; G123-L127 PolarHBondContact O-N 2.98Å; G123-G179 WeakPolarHBondContact O-CA 3.06Å
124	A	95.4	Very high	92.3	Very high	39 Å²	39	42.2 Å²	42.2	32%	0.322	22%	0.223	S	C	.	.	H	α-helix	trans	-64.3	-38.2	176.8	0	0	0	0	0	112.4	V120 T121 G122 L127 L128	V120-A124 PolarHBondContact O-N 3.15Å; T121-A124 PolarHBondContact O-N 3.5Å; G122-A124 PolarHBondContact O-N 2.88Å; A124-L127 WeakPolarHBondContact O-CB 3.48Å; A124-L127 PolarHBondContact O-N 2.9Å; A124-L128 WeakPolarHBondContact O-CG 3.21Å; A124-L128 PolarHBondContact O-N 3.36Å
125	L	96.8	Very high	93.1	Very high	32 Å²	32	42.8 Å²	42.8	17%	0.168	23%	0.226	C	C	.	.	H	α-helix	trans	-63.1	-41.4	173.9	-69.7	171.5	0	0	0	111.9	L90 I93 V97 T121 G122 G123 L128 A129	L90-L125 HydrophobicContact CD2-CD2 4.1Å; I93-L125 HydrophobicContact CB-CD1 4.48Å; I93-L125 HydrophobicContact CG2-CD1 3.84Å; V97-L125 HydrophobicContact CB-CD1 4.44Å; V97-L125 HydrophobicContact CG2-CD1 4.13Å; T121-L125 WeakPolarHBondContact O-CG 3.36Å; T121-L125 PolarHBondContact O-N 2.95Å; G122-L125 PolarHBondContact O-N 3.09Å; G123-L125 PolarHBondContact O-N 2.93Å; L125-L128 PolarHBondContact O-N 2.92Å; L125-A129 WeakPolarHBondContact O-CB 3.28Å; L125-A129 PolarHBondContact O-N 2.71Å
126	F	97.1	Very high	93.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.5	-39	173.3	-78.9	-61.2	0	0	0	112.7	A14 W18 I95 G122 G123 A129 G130 T175 L182	A14-F126 HydrophobicContact CB-CB 4.45Å; A14-F126 HydrophobicContact CB-CD1 3.9Å; A14-F126 HydrophobicContact CB-CD2 3.85Å; A14-F126 HydrophobicContact CB-CE1 3.97Å; A14-F126 HydrophobicContact CB-CE2 3.93Å; A14-F126 HydrophobicContact CB-CG 3.82Å; A14-F126 HydrophobicContact CB-CZ 3.97Å; W18-F126 HydrophobicContact CB-CE1 4.45Å; I95-F126 HydrophobicContact CB-CZ 4.36Å; I95-F126 HydrophobicContact CG1-CE1 4.02Å; I95-F126 HydrophobicContact CG1-CZ 3.56Å; G122-F126 VanDerWaalsContact O-CD2 3.27Å; G122-F126 WeakPolarHBondContact O-CD2 3.44Å; G122-F126 PolarHBondContact O-N 2.63Å; G122-F126 VanDerWaalsContact O-N 3.12Å; G123-F126 PolarHBondContact O-N 3.19Å; F126-A129 PolarHBondContact O-N 3.26Å; F126-G130 PolarHBondContact O-N 3.42Å; F126-T175 HydrophobicContact CB-CG2 4.14Å; F126-T175 HydrophobicContact CD1-CG2 3.91Å; F126-T175 HydrophobicContact CG-CG2 4.48Å; F126-T175 VanDerWaalsContact O-CG2 3.31Å; F126-T175 WeakPolarHBondContact O-CG2 3.44Å; F126-L182 HydrophobicContact CD2-CD1 3.99Å; F126-L182 HydrophobicContact CE2-CD1 4.27Å
127	L	97.1	Very high	94.5	Very high	44 Å²	44	39.6 Å²	39.6	23%	0.23	21%	0.211	C	C	.	.	H	α-helix	trans	-59.7	-48.1	173.5	-73	175.2	0	0	0	111.4	G123 A124 A129 G130 L131 V176 S180	G123-L127 WeakPolarHBondContact O-CG 3.44Å; G123-L127 PolarHBondContact O-N 2.98Å; A124-L127 WeakPolarHBondContact O-CB 3.48Å; A124-L127 PolarHBondContact O-N 2.9Å; L127-A129 PolarHBondContact O-N 2.9Å; L127-G130 PolarHBondContact O-N 3.18Å; L127-L131 WeakPolarHBondContact O-CB 3.33Å; L127-L131 VanDerWaalsContact O-CG 3.28Å; L127-L131 WeakPolarHBondContact O-CG 3.09Å; L127-L131 PolarHBondContact O-N 3.35Å; L127-V176 HydrophobicContact CD2-CB 4.45Å; L127-V176 HydrophobicContact CD2-CG1 3.97Å; L127-V176 WeakPolarHBondContact CD2-O 3.24Å; L127-S180 WeakPolarHBondContact CD2-OG 3.41Å
128	L	97.3	Very high	95	Very high	92 Å²	92	32.9 Å²	32.9	48%	0.482	19%	0.191	S	C	.	.	H	α-helix	trans	-62.5	-42.9	178.2	-70.1	172.4	0	0	0	111.9	L90 A124 L125 L131 C132	L90-L128 HydrophobicContact CD1-CB 4.27Å; A124-L128 WeakPolarHBondContact O-CG 3.21Å; A124-L128 PolarHBondContact O-N 3.36Å; L125-L128 PolarHBondContact O-N 2.92Å; L128-L131 PolarHBondContact O-N 3.35Å; L128-C132 WeakPolarHBondContact O-CB 3.09Å; L128-C132 PolarHBondContact O-N 2.82Å; L128-C132 PolarHBondContact O-SG 2.67Å
129	A	97.8	Very high	95.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.5	-51.1	174.6	0	0	0	0	0	111.4	S87 L90 L125 F126 L127 L131 C132 T133	S87-A129 WeakPolarHBondContact O-CB 3.37Å; S87-A129 PolarHBondContact OG-O 2.96Å; L90-A129 HydrophobicContact CB-CB 4.01Å; L125-A129 WeakPolarHBondContact O-CB 3.28Å; L125-A129 PolarHBondContact O-N 2.71Å; F126-A129 PolarHBondContact O-N 3.26Å; L127-A129 PolarHBondContact O-N 2.9Å; A129-L131 VanDerWaalsContact C-N 3.34Å; A129-L131 PolarHBondContact O-N 3.48Å; A129-C132 PolarHBondContact O-N 2.72Å; A129-T133 PolarHBondContact O-N 2.93Å; A129-T133 PolarHBondContact O-OG1 3.26Å
130	G	97.4	Very high	95.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.4	-42	178.1	0	0	0	0	0	113.2	F126 L127 T133 L134	F126-G130 PolarHBondContact O-N 3.42Å; L127-G130 PolarHBondContact O-N 3.18Å; G130-T133 PolarHBondContact O-N 3.45Å; G130-L134 WeakPolarHBondContact O-CB 3.28Å; G130-L134 PolarHBondContact O-N 2.96Å
131	L	97.7	Very high	95.9	Very high	87 Å²	87	34.5 Å²	34.5	46%	0.455	19%	0.192	S	C	.	.	H	α-helix	trans	-66.4	-41.6	176.1	-70.6	174.3	0	0	0	112.3	L127 L128 A129 T133 L134 V135	L127-L131 WeakPolarHBondContact O-CB 3.33Å; L127-L131 VanDerWaalsContact O-CG 3.28Å; L127-L131 WeakPolarHBondContact O-CG 3.09Å; L127-L131 PolarHBondContact O-N 3.35Å; L128-L131 PolarHBondContact O-N 3.35Å; A129-L131 VanDerWaalsContact C-N 3.34Å; A129-L131 PolarHBondContact O-N 3.48Å; L131-T133 VanDerWaalsContact C-N 3.34Å; L131-T133 PolarHBondContact O-N 3.14Å; L131-L134 PolarHBondContact O-N 2.97Å; L131-V135 WeakPolarHBondContact O-CB 3.2Å; L131-V135 VanDerWaalsContact O-CG2 3.3Å; L131-V135 WeakPolarHBondContact O-CG2 3.47Å; L131-V135 PolarHBondContact O-N 3.3Å
132	C	96.9	Very high	95.9	Very high	31 Å²	31	34.8 Å²	34.8	21%	0.209	19%	0.193	C	C	.	.	H	α-helix	trans	-60.7	-44	175.4	-69.6	0	0	0	0	111.4	L128 A129 V135 S136	L128-C132 WeakPolarHBondContact O-CB 3.09Å; L128-C132 PolarHBondContact O-N 2.82Å; L128-C132 PolarHBondContact O-SG 2.67Å; A129-C132 PolarHBondContact O-N 2.72Å; C132-V135 PolarHBondContact O-N 3.37Å; C132-S136 WeakPolarHBondContact O-CB 3.25Å; C132-S136 PolarHBondContact O-N 2.86Å
133	T	97.3	Very high	95.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.9	-46.8	174.4	-56.9	0	0	0	0	111	I21 M84 S87 A129 G130 L131 V135 S136 V137 A172	I21-T133 WeakPolarHBondContact CD1-OG1 3.49Å; I21-T133 HydrophobicContact CG1-CG2 4Å; M84-T133 HydrophobicContact CE-CG2 4.04Å; M84-T133 HydrophobicContact SD-CG2 3.98Å; S87-T133 WeakPolarHBondContact CB-OG1 3.4Å; S87-T133 PolarHBondContact OG-OG1 3.49Å; A129-T133 PolarHBondContact O-N 2.93Å; A129-T133 PolarHBondContact O-OG1 3.26Å; G130-T133 PolarHBondContact O-N 3.45Å; L131-T133 VanDerWaalsContact C-N 3.34Å; L131-T133 PolarHBondContact O-N 3.14Å; T133-V135 VanDerWaalsContact C-N 3.34Å; T133-V135 PolarHBondContact O-N 2.87Å; T133-S136 PolarHBondContact O-N 2.84Å; T133-V137 HydrophobicContact CG2-CG2 4.07Å; T133-V137 WeakPolarHBondContact O-CB 3.42Å; T133-V137 VanDerWaalsContact O-CG2 3.27Å; T133-V137 WeakPolarHBondContact O-CG2 3.13Å; T133-V137 PolarHBondContact O-N 2.94Å; T133-A172 HydrophobicContact CG2-CB 4.06Å
134	L	97.3	Very high	95.6	Very high	63 Å²	63	37.6 Å²	37.6	33%	0.33	21%	0.207	S	C	.	.	H	α-helix	trans	-59.7	-45.6	-179.5	-170	67.9	0	0	0	111.4	G130 L131 S138 A172	G130-L134 WeakPolarHBondContact O-CB 3.28Å; G130-L134 PolarHBondContact O-N 2.96Å; L131-L134 PolarHBondContact O-N 2.97Å; L134-S138 WeakPolarHBondContact O-CB 3.45Å; L134-S138 PolarHBondContact O-N 3.43Å; L134-S138 PolarHBondContact O-OG 3.5Å; L134-A172 HydrophobicContact CB-CB 4Å; L134-A172 HydrophobicContact CD1-CB 4.14Å
135	V	96.9	Very high	95.4	Very high	88 Å²	88	37.4 Å²	37.4	53%	0.533	20%	0.203	S	C	.	.	H	α-helix	trans	-62	-47.3	176.4	171.2	0	0	0	0	110.6	L83 L131 C132 T133 S138 W139	L83-V135 HydrophobicContact CD1-CG1 4.32Å; L131-V135 WeakPolarHBondContact O-CB 3.2Å; L131-V135 VanDerWaalsContact O-CG2 3.3Å; L131-V135 WeakPolarHBondContact O-CG2 3.47Å; L131-V135 PolarHBondContact O-N 3.3Å; C132-V135 PolarHBondContact O-N 3.37Å; T133-V135 VanDerWaalsContact C-N 3.34Å; T133-V135 PolarHBondContact O-N 2.87Å; V135-S138 PolarHBondContact O-N 2.86Å; V135-W139 WeakPolarHBondContact O-CB 3.38Å; V135-W139 PolarHBondContact O-N 3.48Å
136	S	95.8	Very high	95	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.9	-50.4	-179.4	-172.6	0	0	0	0	112.4	C80 C132 T133 Y140	C80-S136 VanDerWaalsContact CA-OG 3.29Å; C80-S136 WeakPolarHBondContact CA-OG 3.43Å; C80-S136 WeakPolarHBondContact CB-OG 3.44Å; C80-S136 PolarHBondContact O-OG 3.35Å; C80-S136 PolarHBondContact SG-O 2.93Å; C132-S136 WeakPolarHBondContact O-CB 3.25Å; C132-S136 PolarHBondContact O-N 2.86Å; T133-S136 PolarHBondContact O-N 2.84Å; S136-Y140 WeakPolarHBondContact O-CB 3.36Å; S136-Y140 PolarHBondContact O-N 2.92Å
137	V	95.9	Very high	94.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-69	-40.5	-178	179.7	0	0	0	0	111.1	T24 W30 M84 T133 Y140 A141 L165 W169	T24-V137 HydrophobicContact CG2-CG2 4.44Å; W30-V137 HydrophobicContact CH2-CG2 3.86Å; W30-V137 HydrophobicContact CZ3-CG2 4.17Å; M84-V137 HydrophobicContact SD-CG2 4.38Å; T133-V137 HydrophobicContact CG2-CG2 4.07Å; T133-V137 WeakPolarHBondContact O-CB 3.42Å; T133-V137 VanDerWaalsContact O-CG2 3.27Å; T133-V137 WeakPolarHBondContact O-CG2 3.13Å; T133-V137 PolarHBondContact O-N 2.94Å; V137-Y140 PolarHBondContact O-N 3.25Å; V137-A141 WeakPolarHBondContact O-CB 3.3Å; V137-A141 PolarHBondContact O-N 3.1Å; V137-L165 HydrophobicContact CG1-CB 4.04Å; V137-L165 HydrophobicContact CG1-CD2 3.67Å; V137-L165 HydrophobicContact CG1-CG 4.47Å; V137-L165 WeakPolarHBondContact CG1-O 3.42Å; V137-W169 HydrophobicContact CG1-CG 4.36Å
138	S	95.8	Very high	94	Very high	38 Å²	38	47.5 Å²	47.5	27%	0.266	24%	0.242	S	C	.	.	H	α-helix	trans	-69.7	-41.2	179	-54	0	0	0	0	111.8	L134 V135 Y140 A141 T142 W169	L134-S138 WeakPolarHBondContact O-CB 3.45Å; L134-S138 PolarHBondContact O-N 3.43Å; L134-S138 PolarHBondContact O-OG 3.5Å; V135-S138 PolarHBondContact O-N 2.86Å; S138-Y140 VanDerWaalsContact C-N 3.34Å; S138-Y140 PolarHBondContact O-N 2.86Å; S138-A141 PolarHBondContact O-N 2.88Å; S138-T142 PolarHBondContact O-N 2.05Å; S138-T142 PolarHBondContact O-OG1 2.93Å; S138-W169 PolarHBondContact OG-NE1 3.03Å
139	W	95.2	Very high	93.5	Very high	124 Å²	124	50.7 Å²	50.7	47%	0.47	25%	0.253	S	S	.	.	H	α-helix	trans	-59.5	-46.5	174.2	-177.5	-103.2	0	0	0	111.2	V135 A141 T142 Q143	V135-W139 WeakPolarHBondContact O-CB 3.38Å; V135-W139 PolarHBondContact O-N 3.48Å; W139-A141 VanDerWaalsContact C-N 3.35Å; W139-A141 PolarHBondContact O-N 2.85Å; W139-T142 PolarHBondContact O-N 2.81Å; W139-Q143 VanDerWaalsContact CZ2-NE2 3.31Å; W139-Q143 WeakPolarHBondContact O-CG 3.49Å; W139-Q143 PolarHBondContact O-N 3.21Å
140	Y	93.4	Very high	93	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59	-46.1	176.3	-164.7	-83.5	0	0	0	111.6	W30 K31 I77 C80 S136 V137 S138 T142 Q143 V144 L165	W30-Y140 HydrophobicContact CB-CD1 4.44Å; W30-Y140 HydrophobicContact CB-CE1 3.77Å; W30-Y140 AromaticContact CE3-CD1 3.83Å; W30-Y140 HydrophobicContact CE3-CD1 3.83Å; W30-Y140 AromaticContact CE3-CD2 3.87Å; W30-Y140 HydrophobicContact CE3-CD2 3.87Å; W30-Y140 HydrophobicContact CE3-CE1 4.22Å; W30-Y140 HydrophobicContact CE3-CE2 4.26Å; W30-Y140 AromaticContact CE3-CG 3.64Å; W30-Y140 HydrophobicContact CE3-CG 3.64Å; W30-Y140 HydrophobicContact CZ3-CD2 4.29Å; W30-Y140 HydrophobicContact CZ3-CG 4.05Å; K31-Y140 HydrophobicContact CB-CE1 4.15Å; K31-Y140 HydrophobicContact CG-CE1 4.45Å; I77-Y140 HydrophobicContact CG1-CE2 4.27Å; C80-Y140 HydrophobicContact CB-CD2 4.48Å; S136-Y140 WeakPolarHBondContact O-CB 3.36Å; S136-Y140 PolarHBondContact O-N 2.92Å; V137-Y140 PolarHBondContact O-N 3.25Å; S138-Y140 VanDerWaalsContact C-N 3.34Å; S138-Y140 PolarHBondContact O-N 2.86Å; Y140-T142 VanDerWaalsContact C-N 3.34Å; Y140-T142 PolarHBondContact O-N 2.97Å; Y140-Q143 PolarHBondContact O-N 3.11Å; Y140-V144 HydrophobicContact CD1-CG2 3.89Å; Y140-V144 HydrophobicContact CE1-CG2 3.69Å; Y140-V144 WeakPolarHBondContact O-CG2 3.48Å; Y140-V144 PolarHBondContact O-N 3.05Å; Y140-L165 HydrophobicContact CD1-CD1 4.36Å; Y140-L165 HydrophobicContact CD1-CD2 3.84Å; Y140-L165 HydrophobicContact CG-CD2 4.41Å
141	A	93.3	Very high	92.4	Very high	11 Å²	11	58 Å²	58	9%	0.091	30%	0.298	C	S	.	.	H	α-helix	trans	-60.7	-40.7	176.5	0	0	0	0	0	112.5	V137 S138 W139 Q143 V144 S145 F161 L165	V137-A141 WeakPolarHBondContact O-CB 3.3Å; V137-A141 PolarHBondContact O-N 3.1Å; S138-A141 PolarHBondContact O-N 2.88Å; W139-A141 VanDerWaalsContact C-N 3.35Å; W139-A141 PolarHBondContact O-N 2.85Å; A141-Q143 VanDerWaalsContact C-N 3.34Å; A141-Q143 PolarHBondContact O-N 3.47Å; A141-V144 PolarHBondContact O-N 3.44Å; A141-S145 WeakPolarHBondContact O-CB 3.43Å; A141-S145 PolarHBondContact O-N 2.69Å; A141-S145 PolarHBondContact O-OG 2.96Å; A141-F161 HydrophobicContact CB-CD1 4.28Å; A141-F161 HydrophobicContact CB-CE1 3.82Å; A141-F161 WeakPolarHBondContact O-CE1 3.33Å; A141-L165 HydrophobicContact CB-CD1 4.27Å
142	T	93.1	Very high	91.8	Very high	81 Å²	81	60.6 Å²	60.6	50%	0.497	31%	0.312	S	S	.	.	H	α-helix	trans	-62.5	-40.9	175.8	-56.2	0	0	0	0	111.8	S138 W139 Y140 S145 Y146	S138-T142 PolarHBondContact O-N 2.05Å; S138-T142 PolarHBondContact O-OG1 2.93Å; W139-T142 PolarHBondContact O-N 2.81Å; Y140-T142 VanDerWaalsContact C-N 3.34Å; Y140-T142 PolarHBondContact O-N 2.97Å; T142-S145 PolarHBondContact O-N 2.88Å; T142-Y146 WeakPolarHBondContact O-CB 3.3Å; T142-Y146 PolarHBondContact O-N 3.28Å
143	Q	91.1	Very high	90.9	Very high	46 Å²	46	60.5 Å²	60.5	22%	0.215	31%	0.311	C	S	.	.	H	α-helix	trans	-64.4	-44.2	177	-66.8	-59.9	-31.1	0	0	112	H76 W139 Y140 A141 S145 Y146 Q147	H76-Q143 HydrophobicContact CB-CG 4.3Å; W139-Q143 VanDerWaalsContact CZ2-NE2 3.31Å; W139-Q143 WeakPolarHBondContact O-CG 3.49Å; W139-Q143 PolarHBondContact O-N 3.21Å; Y140-Q143 PolarHBondContact O-N 3.11Å; A141-Q143 VanDerWaalsContact C-N 3.34Å; A141-Q143 PolarHBondContact O-N 3.47Å; Q143-S145 VanDerWaalsContact C-N 3.32Å; Q143-S145 PolarHBondContact O-N 3.42Å; Q143-Y146 PolarHBondContact O-N 3.46Å; Q143-Q147 WeakPolarHBondContact O-CG 3.47Å; Q143-Q147 PolarHBondContact O-N 2.85Å
144	V	89.2	Confident	90	Very high	13 Å²	13	64.2 Å²	64.2	8%	0.079	34%	0.335	C	S	.	.	H	α-helix	trans	-60.2	-44.5	175.3	174.8	0	0	0	0	110.8	K31 Y140 A141 Y146 Q147 F148 Y159 F161	K31-V144 HydrophobicContact CB-CG2 4.13Å; K31-V144 HydrophobicContact CD-CG2 4.43Å; Y140-V144 HydrophobicContact CD1-CG2 3.89Å; Y140-V144 HydrophobicContact CE1-CG2 3.69Å; Y140-V144 WeakPolarHBondContact O-CG2 3.48Å; Y140-V144 PolarHBondContact O-N 3.05Å; A141-V144 PolarHBondContact O-N 3.44Å; V144-Y146 PolarHBondContact O-N 3.24Å; V144-Q147 PolarHBondContact O-N 3.49Å; V144-F148 WeakPolarHBondContact O-CB 3.27Å; V144-F148 PolarHBondContact O-N 3.42Å; V144-Y159 WeakPolarHBondContact CG1-O 3.09Å; V144-F161 HydrophobicContact CB-CE1 4.33Å; V144-F161 HydrophobicContact CG1-CD1 4.26Å; V144-F161 HydrophobicContact CG1-CE1 4.31Å
145	S	90.8	Very high	88.7	Confident	35 Å²	35	66.3 Å²	66.3	25%	0.245	35%	0.346	C	S	.	.	H	α-helix	trans	-60.4	-46.4	177.3	-52.5	0	0	0	0	111.5	A141 T142 Q143 Q147 F148 F149 F161	A141-S145 WeakPolarHBondContact O-CB 3.43Å; A141-S145 PolarHBondContact O-N 2.69Å; A141-S145 PolarHBondContact O-OG 2.96Å; T142-S145 PolarHBondContact O-N 2.88Å; Q143-S145 VanDerWaalsContact C-N 3.32Å; Q143-S145 PolarHBondContact O-N 3.42Å; S145-Q147 VanDerWaalsContact C-N 3.33Å; S145-Q147 PolarHBondContact O-N 2.89Å; S145-F148 PolarHBondContact O-N 3.26Å; S145-F149 WeakPolarHBondContact O-CD2 3.37Å; S145-F149 PolarHBondContact O-N 2.92Å; S145-F149 VanDerWaalsContact O-N 3.14Å; S145-F161 VanDerWaalsContact OG-CZ 3.25Å; S145-F161 WeakPolarHBondContact OG-CZ 3.14Å
146	Y	89.6	Confident	87.4	Confident	155 Å²	155	67.6 Å²	67.6	61%	0.608	35%	0.35	S	S	*	.	H	α-helix	trans	-60.2	-44.3	179.1	179.9	-98.5	0	0	0	111.6	T142 Q143 V144 F148 F149 N150	T142-Y146 WeakPolarHBondContact O-CB 3.3Å; T142-Y146 PolarHBondContact O-N 3.28Å; Q143-Y146 PolarHBondContact O-N 3.46Å; V144-Y146 PolarHBondContact O-N 3.24Å; Y146-F148 VanDerWaalsContact C-N 3.33Å; Y146-F148 PolarHBondContact O-N 3.47Å; Y146-F149 PolarHBondContact O-N 2.66Å; Y146-N150 WeakPolarHBondContact O-CB 3.39Å; Y146-N150 PolarHBondContact O-N 2.92Å; Y146-N150 VanDerWaalsContact O-N 3.13Å
147	Q	86.1	Confident	86.3	Confident	71 Å²	71	69.8 Å²	69.8	33%	0.332	37%	0.368	S	S	.	.	H	α-helix	trans	-67.2	-33.3	177.9	-69.2	-165.1	10	0	0	112.9	Q143 V144 S145 T153	Q143-Q147 WeakPolarHBondContact O-CG 3.47Å; Q143-Q147 PolarHBondContact O-N 2.85Å; V144-Q147 PolarHBondContact O-N 3.49Å; S145-Q147 VanDerWaalsContact C-N 3.33Å; S145-Q147 PolarHBondContact O-N 2.89Å; Q147-T153 WeakPolarHBondContact O-CB 3.25Å; Q147-T153 PolarHBondContact O-OG1 2.94Å
148	F	85.9	Confident	85.5	Confident	62 Å²	62	72.8 Å²	72.8	27%	0.272	38%	0.379	S	S	.	.	H	α-helix	trans	-66.2	-41.5	177.4	-171.6	-87.5	0	0	0	112.6	V144 S145 Y146 R158	V144-F148 WeakPolarHBondContact O-CB 3.27Å; V144-F148 PolarHBondContact O-N 3.42Å; S145-F148 PolarHBondContact O-N 3.26Å; Y146-F148 VanDerWaalsContact C-N 3.33Å; Y146-F148 PolarHBondContact O-N 3.47Å; F148-R158 HydrophobicContact CD2-CB 3.97Å; F148-R158 HydrophobicContact CD2-CG 4.45Å; F148-R158 HydrophobicContact CE2-CB 4.11Å
149	F	86.9	Confident	84.9	Confident	160 Å²	160	73 Å²	73	70%	0.702	38%	0.375	S	S	*	.	H	α-helix	trans	-87.3	-5.4	-179.3	-68.4	-68.4	0	0	0	114.3	S145 Y146 P151	S145-F149 WeakPolarHBondContact O-CD2 3.37Å; S145-F149 PolarHBondContact O-N 2.92Å; S145-F149 VanDerWaalsContact O-N 3.14Å; Y146-F149 PolarHBondContact O-N 2.66Å; F149-P151 WeakPolarHBondContact O-CD 3.39Å
150	N	87.6	Confident	84.7	Confident	36 Å²	36	71.6 Å²	71.6	19%	0.193	37%	0.373	C	S	.	.			trans	-71	122.7	179.4	-163.7	-38.8	0	0	0	110.1	Y146 N152 T153	Y146-N150 WeakPolarHBondContact O-CB 3.39Å; Y146-N150 PolarHBondContact O-N 2.92Å; Y146-N150 VanDerWaalsContact O-N 3.13Å; N150-N152 PolarHBondContact O-N 2.79Å; N150-N152 VanDerWaalsContact O-N 3.15Å; N150-N152 PolarHBondContact OD1-N 3.42Å; N150-N152 PolarHBondContact OD1-ND2 2.92Å; N150-N152 VanDerWaalsContact OD1-ND2 3.17Å; N150-T153 PolarHBondContact O-N 2.79Å; N150-T153 VanDerWaalsContact O-N 3.08Å
151	P	83.9	Confident	84.5	Confident	118 Å²	118	76 Å²	76	77%	0.766	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.7	-177.5	26.1	-35.3	0	0	0	113.3	F149 T153	F149-P151 WeakPolarHBondContact O-CD 3.39Å; P151-T153 VanDerWaalsContact C-N 3.32Å
152	N	84.9	Confident	84.4	Confident	141 Å²	141	75.5 Å²	75.5	75%	0.754	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.3	178.2	-57.6	-55.9	0	0	0	113.1	N150 P154	N150-N152 PolarHBondContact O-N 2.79Å; N150-N152 VanDerWaalsContact O-N 3.15Å; N150-N152 PolarHBondContact OD1-N 3.42Å; N150-N152 PolarHBondContact OD1-ND2 2.92Å; N150-N152 VanDerWaalsContact OD1-ND2 3.17Å; N152-P154 WeakPolarHBondContact O-CD 3.49Å
153	T	78.9	Confident	84.4	Confident	28 Å²	28	74 Å²	74	17%	0.172	38%	0.381	C	S	.	.	S	Bend	trans	-82.9	117.1	178.8	-51.4	0	0	0	0	109.9	Q147 N150 P151 R158	Q147-T153 WeakPolarHBondContact O-CB 3.25Å; Q147-T153 PolarHBondContact O-OG1 2.94Å; N150-T153 PolarHBondContact O-N 2.79Å; N150-T153 VanDerWaalsContact O-N 3.08Å; P151-T153 VanDerWaalsContact C-N 3.32Å; T153-R158 HydrophobicContact CG2-CG 4.18Å
154	P	77.9	Confident	84.5	Confident	79 Å²	79	71.9 Å²	71.9	51%	0.513	37%	0.371	S	S	.	.			trans	-61.3	143.7	177.4	22.9	-29	0	0	0	110.5	N152 N156 A157	N152-P154 WeakPolarHBondContact O-CD 3.49Å; P154-N156 PolarHBondContact O-N 2.96Å; P154-N156 VanDerWaalsContact O-N 3.09Å; P154-A157 HydrophobicContact CG-CB 3.9Å; P154-A157 PolarHBondContact O-N 3.02Å
155	L	71.5	Confident	84.7	Confident	107 Å²	107	71.5 Å²	71.5	56%	0.56	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-52.9	-35.7	-177.6	-69.8	164.2	0	0	0	112.4	A157 R158	L155-A157 PolarHBondContact O-N 3.34Å; L155-R158 VanDerWaalsContact CD2-CZ 3.46Å; L155-R158 PolarHBondContact O-N 2.84Å
156	N	69.2	Low	85	Confident	115 Å²	115	75.8 Å²	75.8	62%	0.615	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-72.8	-10.7	-177.3	-41.9	-14.2	0	0	0	113.3	Y35 P154	Y35-N156 HydrophobicContact CD1-CB 4.19Å; P154-N156 PolarHBondContact O-N 2.96Å; P154-N156 VanDerWaalsContact O-N 3.09Å
157	A	71.2	Confident	85.3	Confident	46 Å²	46	71.1 Å²	71.1	38%	0.38	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-117.5	15.6	-178.2	0	0	0	0	0	112.7	P154 L155 Y159	P154-A157 HydrophobicContact CG-CB 3.9Å; P154-A157 PolarHBondContact O-N 3.02Å; L155-A157 PolarHBondContact O-N 3.34Å; A157-Y159 WeakPolarHBondContact O-CD2 3.26Å
158	R	80.4	Confident	85.8	Confident	62 Å²	62	67.8 Å²	67.8	23%	0.234	36%	0.355	C	S	.	.			trans	-79.8	138.4	177.6	-67	-172	-178.6	-178.8	-0.1	111.1	S34 F148 T153 L155	S34-R158 PolarHBondContact N-O 3.17Å; F148-R158 HydrophobicContact CD2-CB 3.97Å; F148-R158 HydrophobicContact CD2-CG 4.45Å; F148-R158 HydrophobicContact CE2-CB 4.11Å; T153-R158 HydrophobicContact CG2-CG 4.18Å; L155-R158 VanDerWaalsContact CD2-CZ 3.46Å; L155-R158 PolarHBondContact O-N 2.84Å
159	Y	83.8	Confident	86.4	Confident	43 Å²	43	70.5 Å²	70.5	17%	0.169	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.9	175.7	-69	-95.9	0	0	0	110.9	K31 Q32 E48 V144 A157	K31-Y159 HydrophobicContact CB-CD1 4.23Å; K31-Y159 HydrophobicContact CD-CD1 3.62Å; K31-Y159 HydrophobicContact CD-CD2 4.3Å; K31-Y159 HydrophobicContact CD-CE1 4.1Å; K31-Y159 HydrophobicContact CD-CG 3.72Å; K31-Y159 HydrophobicContact CG-CD1 3.7Å; K31-Y159 HydrophobicContact CG-CE1 4.25Å; K31-Y159 HydrophobicContact CG-CG 4.21Å; Q32-Y159 CarbonylContact O-C 3.46Å; Q32-Y159 VanDerWaalsContact O-CA 3.26Å; Q32-Y159 WeakPolarHBondContact O-CA 3.41Å; E48-Y159 PolarHBondContact OE1-OH 3.04Å; V144-Y159 WeakPolarHBondContact CG1-O 3.09Å; A157-Y159 WeakPolarHBondContact O-CD2 3.26Å
160	E	89.3	Confident	86.9	Confident	94 Å²	94	65.4 Å²	65.4	44%	0.439	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	167.9	171.2	-93.4	160.7	-140.3	0	0	111.7	K31 Q32 S34 G162	K31-E160 WeakPolarHBondContact CA-O 3.18Å; Q32-E160 PolarHBondContact N-O 2.82Å; Q32-E160 PolarHBondContact O-N 3.41Å; S34-E160 VanDerWaalsContact CB-OE1 3.25Å; S34-E160 WeakPolarHBondContact CB-OE1 3.26Å; S34-E160 WeakPolarHBondContact OG-CG 3.31Å; S34-E160 PolarHBondContact OG-OE1 3.45Å; E160-G162 PolarHBondContact O-N 2.86Å
161	F	90.4	Very high	87.4	Confident	94 Å²	94	63.9 Å²	63.9	41%	0.412	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	124.7	175.1	-59.6	-56.9	0	0	0	111.3	A141 V144 S145 L165 F166	A141-F161 HydrophobicContact CB-CD1 4.28Å; A141-F161 HydrophobicContact CB-CE1 3.82Å; A141-F161 WeakPolarHBondContact O-CE1 3.33Å; V144-F161 HydrophobicContact CB-CE1 4.33Å; V144-F161 HydrophobicContact CG1-CD1 4.26Å; V144-F161 HydrophobicContact CG1-CE1 4.31Å; S145-F161 VanDerWaalsContact OG-CZ 3.25Å; S145-F161 WeakPolarHBondContact OG-CZ 3.14Å; F161-L165 HydrophobicContact CB-CD1 4.09Å; F161-L165 HydrophobicContact CD1-CD1 3.66Å; F161-L165 HydrophobicContact CG-CD1 4.32Å; F161-F166 HydrophobicContact CB-CE2 4.28Å; F161-F166 HydrophobicContact CB-CZ 4.27Å
162	G	90.8	Very high	88.1	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-79.7	160.3	173.4	0	0	0	0	0	112.6	Q29 W30 E160 A164 L165	Q29-G162 CarbonylContact O-C 3.54Å; Q29-G162 WeakPolarHBondContact O-CA 3.22Å; W30-G162 PolarHBondContact O-N 3.44Å; W30-G162 VanDerWaalsContact O-N 3.09Å; E160-G162 PolarHBondContact O-N 2.86Å; G162-A164 PolarHBondContact O-N 3.03Å; G162-L165 PolarHBondContact O-N 3.36Å
163	S	92.5	Very high	88.7	Confident	50 Å²	50	54.5 Å²	54.5	35%	0.35	29%	0.292	S	S	.	.	H	α-helix	trans	-57.3	-31.7	-180	61.5	0	0	0	0	113.5	Q29 L165 F166 V167	Q29-S163 WeakPolarHBondContact CB-OG 3.29Å; Q29-S163 PolarHBondContact O-N 3Å; Q29-S163 PolarHBondContact OE1-OG 3.48Å; S163-L165 VanDerWaalsContact C-N 3.25Å; S163-L165 PolarHBondContact O-N 3.37Å; S163-F166 PolarHBondContact O-N 2.96Å; S163-V167 PolarHBondContact O-N 3.46Å
164	A	93.9	Very high	89.5	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64	-29.2	-178	0	0	0	0	0	112.8	T24 L27 Q29 W30 G162 V167 G168	T24-A164 HydrophobicContact CG2-CB 4.5Å; T24-A164 VanDerWaalsContact CG2-O 3.31Å; T24-A164 WeakPolarHBondContact CG2-O 3.37Å; T24-A164 PolarHBondContact OG1-O 2.75Å; L27-A164 HydrophobicContact CB-CB 3.8Å; L27-A164 HydrophobicContact CD1-CB 4.17Å; Q29-A164 WeakPolarHBondContact O-CB 3.34Å; Q29-A164 PolarHBondContact O-N 3.25Å; W30-A164 HydrophobicContact CG-CB 4.26Å; G162-A164 PolarHBondContact O-N 3.03Å; A164-V167 PolarHBondContact O-N 2.94Å; A164-G168 PolarHBondContact O-N 3.33Å
165	L	94.3	Very high	90.5	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-66	-42.6	178.3	-62.6	177.8	0	0	0	111.4	W30 V137 Y140 A141 F161 G162 S163 G168 W169	W30-L165 HydrophobicContact CD2-CD2 4.22Å; W30-L165 HydrophobicContact CE3-CD2 3.54Å; W30-L165 HydrophobicContact CZ3-CD2 3.98Å; W30-L165 VanDerWaalsContact O-CD1 3.25Å; W30-L165 WeakPolarHBondContact O-CD1 3.38Å; W30-L165 WeakPolarHBondContact O-CG 3.43Å; V137-L165 HydrophobicContact CG1-CB 4.04Å; V137-L165 HydrophobicContact CG1-CD2 3.67Å; V137-L165 HydrophobicContact CG1-CG 4.47Å; V137-L165 WeakPolarHBondContact CG1-O 3.42Å; Y140-L165 HydrophobicContact CD1-CD1 4.36Å; Y140-L165 HydrophobicContact CD1-CD2 3.84Å; Y140-L165 HydrophobicContact CG-CD2 4.41Å; A141-L165 HydrophobicContact CB-CD1 4.27Å; F161-L165 HydrophobicContact CB-CD1 4.09Å; F161-L165 HydrophobicContact CD1-CD1 3.66Å; F161-L165 HydrophobicContact CG-CD1 4.32Å; G162-L165 PolarHBondContact O-N 3.36Å; S163-L165 VanDerWaalsContact C-N 3.25Å; S163-L165 PolarHBondContact O-N 3.37Å; L165-G168 PolarHBondContact O-N 2.83Å; L165-W169 PolarHBondContact O-N 3.33Å
166	F	95.9	Very high	91.7	Very high	126 Å²	126	49.3 Å²	49.3	55%	0.553	26%	0.26	S	S	*	.	H	α-helix	trans	-65.2	-42.9	176.9	-59.5	-72.4	0	0	0	111.7	F161 S163 G168 W169 A170	F161-F166 HydrophobicContact CB-CE2 4.28Å; F161-F166 HydrophobicContact CB-CZ 4.27Å; S163-F166 PolarHBondContact O-N 2.96Å; F166-G168 VanDerWaalsContact C-N 3.25Å; F166-G168 PolarHBondContact O-N 2.9Å; F166-W169 PolarHBondContact O-N 3.4Å; F166-A170 PolarHBondContact O-N 3.22Å
167	V	96.4	Very high	93	Very high	57 Å²	57	48.6 Å²	48.6	35%	0.345	26%	0.256	S	S	.	.	H	α-helix	trans	-60.7	-39.8	173.4	-178.1	0	0	0	0	110.3	T24 S163 A164 A170 A171	T24-V167 WeakPolarHBondContact OG1-CG1 3.35Å; S163-V167 PolarHBondContact O-N 3.46Å; A164-V167 PolarHBondContact O-N 2.94Å; V167-A170 PolarHBondContact O-N 3.44Å; V167-A171 WeakPolarHBondContact O-CB 3.43Å; V167-A171 PolarHBondContact O-N 3.04Å
168	G	96.9	Very high	94.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-43.3	178.8	0	0	0	0	0	113.2	T24 A164 L165 F166 A171 A172	T24-G168 VanDerWaalsContact OG1-CA 3.26Å; T24-G168 WeakPolarHBondContact OG1-CA 3.44Å; T24-G168 PolarHBondContact OG1-N 2.93Å; A164-G168 PolarHBondContact O-N 3.33Å; L165-G168 PolarHBondContact O-N 2.83Å; F166-G168 VanDerWaalsContact C-N 3.25Å; F166-G168 PolarHBondContact O-N 2.9Å; G168-A171 PolarHBondContact O-N 2.82Å; G168-A172 VanDerWaalsContact O-CB 3.26Å; G168-A172 WeakPolarHBondContact O-CB 3.45Å; G168-A172 PolarHBondContact O-N 3.27Å
169	W	98	Very high	94.8	Very high	120 Å²	120	43.5 Å²	43.5	46%	0.455	23%	0.226	S	C	.	.	H	α-helix	trans	-65.4	-42.5	174.5	-77.7	7.2	0	0	0	112.6	V137 S138 L165 F166 S173	V137-W169 HydrophobicContact CG1-CG 4.36Å; S138-W169 PolarHBondContact OG-NE1 3.03Å; L165-W169 PolarHBondContact O-N 3.33Å; F166-W169 PolarHBondContact O-N 3.4Å; W169-S173 WeakPolarHBondContact O-CB 2.73Å; W169-S173 PolarHBondContact O-N 3.48Å; W169-S173 PolarHBondContact O-OG 3.46Å
170	A	97.8	Very high	95.3	Very high	53 Å²	53	43.5 Å²	43.5	44%	0.438	23%	0.233	S	C	.	.	H	α-helix	trans	-62.1	-46.4	175.1	0	0	0	0	0	111.2	F166 V167 S173 L174	F166-A170 PolarHBondContact O-N 3.22Å; V167-A170 PolarHBondContact O-N 3.44Å; A170-S173 PolarHBondContact O-N 2.64Å; A170-L174 WeakPolarHBondContact O-CB 3.35Å; A170-L174 WeakPolarHBondContact O-CG 3.25Å; A170-L174 PolarHBondContact O-N 2.73Å
171	A	97.6	Very high	95.4	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.033	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-46.1	177.9	0	0	0	0	0	112.3	G20 I21 V167 G168 S173 L174 T175	G20-A171 VanDerWaalsContact C-CB 3.47Å; I21-A171 HydrophobicContact CG1-CB 4.1Å; V167-A171 WeakPolarHBondContact O-CB 3.43Å; V167-A171 PolarHBondContact O-N 3.04Å; G168-A171 PolarHBondContact O-N 2.82Å; A171-S173 PolarHBondContact O-N 3.03Å; A171-L174 PolarHBondContact O-N 2.9Å; A171-T175 WeakPolarHBondContact O-CB 3.34Å; A171-T175 PolarHBondContact O-N 2.97Å; A171-T175 PolarHBondContact O-OG1 3.41Å
172	A	97.7	Very high	95.4	Very high	1 Å²	1	37 Å²	37	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-46.1	175.7	0	0	0	0	0	111.3	T133 L134 G168 T175 V176	T133-A172 HydrophobicContact CG2-CB 4.06Å; L134-A172 HydrophobicContact CB-CB 4Å; L134-A172 HydrophobicContact CD1-CB 4.14Å; G168-A172 VanDerWaalsContact O-CB 3.26Å; G168-A172 WeakPolarHBondContact O-CB 3.45Å; G168-A172 PolarHBondContact O-N 3.27Å; A172-T175 PolarHBondContact O-N 3.4Å; A172-V176 WeakPolarHBondContact O-CB 3.36Å; A172-V176 VanDerWaalsContact O-CG2 3.3Å; A172-V176 WeakPolarHBondContact O-CG2 3.43Å; A172-V176 PolarHBondContact O-N 2.89Å
173	S	97.7	Very high	95.3	Very high	60 Å²	60	38 Å²	38	42%	0.42	21%	0.212	S	C	.	.	H	α-helix	trans	-61.5	-46.7	178.8	-58.5	0	0	0	0	111.9	W169 A170 A171 T175 V176 L177	W169-S173 WeakPolarHBondContact O-CB 2.73Å; W169-S173 PolarHBondContact O-N 3.48Å; W169-S173 PolarHBondContact O-OG 3.46Å; A170-S173 PolarHBondContact O-N 2.64Å; A171-S173 PolarHBondContact O-N 3.03Å; S173-T175 VanDerWaalsContact C-N 3.33Å; S173-T175 PolarHBondContact O-N 2.94Å; S173-V176 PolarHBondContact O-N 2.99Å; S173-L177 WeakPolarHBondContact O-CB 3.41Å; S173-L177 WeakPolarHBondContact O-CG 3.41Å; S173-L177 PolarHBondContact O-N 3.2Å
174	L	97.1	Very high	94.9	Very high	70 Å²	70	39.2 Å²	39.2	37%	0.366	22%	0.219	S	C	.	.	H	α-helix	trans	-61.2	-41.9	176.1	-74.3	170.8	0	0	0	112	L13 A170 A171 G178	L13-L174 HydrophobicContact CD2-CD2 3.76Å; A170-L174 WeakPolarHBondContact O-CB 3.35Å; A170-L174 WeakPolarHBondContact O-CG 3.25Å; A170-L174 PolarHBondContact O-N 2.73Å; A171-L174 PolarHBondContact O-N 2.9Å; L174-G178 PolarHBondContact O-N 3.09Å
175	T	97.5	Very high	94.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-67	-42.5	179	-47.8	0	0	0	0	111.4	G17 I21 F126 A171 A172 S173 G178 G179	G17-T175 VanDerWaalsContact CA-OG1 3.24Å; G17-T175 WeakPolarHBondContact CA-OG1 3.17Å; I21-T175 HydrophobicContact CD1-CG2 4.2Å; I21-T175 WeakPolarHBondContact CD1-OG1 3.47Å; F126-T175 HydrophobicContact CB-CG2 4.14Å; F126-T175 HydrophobicContact CD1-CG2 3.91Å; F126-T175 HydrophobicContact CG-CG2 4.48Å; F126-T175 VanDerWaalsContact O-CG2 3.31Å; F126-T175 WeakPolarHBondContact O-CG2 3.44Å; A171-T175 WeakPolarHBondContact O-CB 3.34Å; A171-T175 PolarHBondContact O-N 2.97Å; A171-T175 PolarHBondContact O-OG1 3.41Å; A172-T175 PolarHBondContact O-N 3.4Å; S173-T175 VanDerWaalsContact C-N 3.33Å; S173-T175 PolarHBondContact O-N 2.94Å; T175-G178 PolarHBondContact O-N 3.37Å; T175-G179 PolarHBondContact O-N 3.27Å
176	V	97.7	Very high	92.6	Very high	36 Å²	36	39.1 Å²	39.1	22%	0.218	22%	0.22	C	C	.	.	H	α-helix	trans	-65.9	-44.3	177.1	170.3	0	0	0	0	111.1	L127 A172 S173 S180	L127-V176 HydrophobicContact CD2-CB 4.45Å; L127-V176 HydrophobicContact CD2-CG1 3.97Å; L127-V176 WeakPolarHBondContact CD2-O 3.24Å; A172-V176 WeakPolarHBondContact O-CB 3.36Å; A172-V176 VanDerWaalsContact O-CG2 3.3Å; A172-V176 WeakPolarHBondContact O-CG2 3.43Å; A172-V176 PolarHBondContact O-N 2.89Å; S173-V176 PolarHBondContact O-N 2.99Å; V176-S180 VanDerWaalsContact O-CB 3.28Å; V176-S180 WeakPolarHBondContact O-CB 3.44Å; V176-S180 PolarHBondContact O-N 2.83Å; V176-S180 PolarHBondContact O-OG 3.47Å
177	L	96.5	Very high	90.8	Very high	100 Å²	100	36.3 Å²	36.3	52%	0.524	22%	0.216	S	C	.	.	H	α-helix	trans	-63.4	-46.6	176.3	-71.5	171.1	0	0	0	111.1	S173 S180 L181	S173-L177 WeakPolarHBondContact O-CB 3.41Å; S173-L177 WeakPolarHBondContact O-CG 3.41Å; S173-L177 PolarHBondContact O-N 3.2Å; L177-S180 PolarHBondContact O-N 2.79Å; L177-L181 VanDerWaalsContact O-CG 3.28Å; L177-L181 WeakPolarHBondContact O-CG 3.42Å; L177-L181 PolarHBondContact O-N 3.22Å
178	G	95	Very high	88.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.7	-47.7	176.7	0	0	0	0	0	112.7	G10 L174 T175 S180 L181 L182	G10-G178 WeakPolarHBondContact O-CA 3.47Å; L174-G178 PolarHBondContact O-N 3.09Å; T175-G178 PolarHBondContact O-N 3.37Å; G178-S180 PolarHBondContact O-N 2.9Å; G178-L181 PolarHBondContact O-N 3.24Å; G178-L182 WeakPolarHBondContact O-CG 3.26Å; G178-L182 PolarHBondContact O-N 3.26Å
179	G	94.6	Very high	86.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-41.6	175.2	0	0	0	0	0	113.1	G123 T175 L182 C183	G123-G179 WeakPolarHBondContact O-CA 3.06Å; T175-G179 PolarHBondContact O-N 3.27Å; G179-L182 PolarHBondContact O-N 2.93Å; G179-C183 PolarHBondContact O-N 3.06Å; G179-C183 PolarHBondContact O-SG 3.32Å
180	S	93.8	Very high	84.9	Confident	43 Å²	43	39.7 Å²	39.7	30%	0.301	23%	0.234	S	C	.	.	H	α-helix	trans	-61.8	-46.2	176.3	-61.3	0	0	0	0	111.6	L127 V176 L177 G178 C183 C184	L127-S180 WeakPolarHBondContact CD2-OG 3.41Å; V176-S180 VanDerWaalsContact O-CB 3.28Å; V176-S180 WeakPolarHBondContact O-CB 3.44Å; V176-S180 PolarHBondContact O-N 2.83Å; V176-S180 PolarHBondContact O-OG 3.47Å; L177-S180 PolarHBondContact O-N 2.79Å; G178-S180 PolarHBondContact O-N 2.9Å; S180-C183 PolarHBondContact O-N 3.47Å; S180-C184 WeakPolarHBondContact O-CB 3.44Å; S180-C184 PolarHBondContact O-N 2.99Å; S180-C184 PolarHBondContact O-SG 3.28Å
181	L	92.3	Very high	82.7	Confident	48 Å²	48	43.5 Å²	43.5	25%	0.251	24%	0.244	S	C	.	.	H	α-helix	trans	-62.6	-43.2	178.1	-70.7	176.6	0	0	0	111.3	L6 L13 L177 G178 C183 C184 S185	L6-L181 HydrophobicContact CD1-CD1 4.46Å; L6-L181 HydrophobicContact CD1-CD2 3.91Å; L6-L181 HydrophobicContact CD2-CD2 4.5Å; L6-L181 HydrophobicContact CG-CD2 4.31Å; L13-L181 HydrophobicContact CD1-CD1 3.72Å; L177-L181 VanDerWaalsContact O-CG 3.28Å; L177-L181 WeakPolarHBondContact O-CG 3.42Å; L177-L181 PolarHBondContact O-N 3.22Å; G178-L181 PolarHBondContact O-N 3.24Å; L181-C183 VanDerWaalsContact C-N 3.35Å; L181-C183 PolarHBondContact O-N 3.27Å; L181-C184 PolarHBondContact O-N 2.75Å; L181-S185 WeakPolarHBondContact O-CB 3.25Å; L181-S185 PolarHBondContact O-N 3.28Å; L181-S185 PolarHBondContact O-OG 2.96Å; L181-S185 VanDerWaalsContact O-OG 3.09Å
182	L	89.5	Confident	80.6	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-60.7	-41.5	175.6	-73	171.7	0	0	0	112.3	Q7 A14 F126 G178 G179	Q7-L182 HydrophobicContact CG-CD2 3.88Å; Q7-L182 WeakPolarHBondContact O-CD2 3.47Å; A14-L182 HydrophobicContact CB-CD1 4.4Å; F126-L182 HydrophobicContact CD2-CD1 3.99Å; F126-L182 HydrophobicContact CE2-CD1 4.27Å; G178-L182 WeakPolarHBondContact O-CG 3.26Å; G178-L182 PolarHBondContact O-N 3.26Å; G179-L182 PolarHBondContact O-N 2.93Å
183	C	88.2	Confident	78.6	Confident	21 Å²	21	54.3 Å²	54.3	14%	0.142	30%	0.297	C	S	.	.	H	α-helix	trans	-66.3	-46.8	176.1	-64.8	0	0	0	0	111.9	G179 S180 L181 C186 S187	G179-C183 PolarHBondContact O-N 3.06Å; G179-C183 PolarHBondContact O-SG 3.32Å; S180-C183 PolarHBondContact O-N 3.47Å; L181-C183 VanDerWaalsContact C-N 3.35Å; L181-C183 PolarHBondContact O-N 3.27Å; C183-C186 PolarHBondContact O-N 3.43Å; C183-S187 PolarHBondContact O-N 3.45Å; C183-S187 PolarHBondContact O-OG 3.21Å
184	C	84.1	Confident	76.5	Confident	76 Å²	76	57.7 Å²	57.7	51%	0.514	31%	0.306	S	S	.	.	H	α-helix	trans	-72.4	-32.4	-174.6	-71.3	0	0	0	0	113.9	S180 L181 C186	S180-C184 WeakPolarHBondContact O-CB 3.44Å; S180-C184 PolarHBondContact O-N 2.99Å; S180-C184 PolarHBondContact O-SG 3.28Å; L181-C184 PolarHBondContact O-N 2.75Å; C184-C186 VanDerWaalsContact C-N 3.26Å; C184-C186 PolarHBondContact O-N 3.46Å
185	S	77.2	Confident	74.4	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.014	32%	0.317	C	S	.	.	H	α-helix	trans	-65	-30.9	176.8	-74	0	0	0	0	112.6	N3 L6 L181	N3-S185 PolarHBondContact ND2-O 2.9Å; L6-S185 WeakPolarHBondContact CD2-OG 3.47Å; L6-S185 WeakPolarHBondContact CG-OG 3.29Å; L181-S185 WeakPolarHBondContact O-CB 3.25Å; L181-S185 PolarHBondContact O-N 3.28Å; L181-S185 PolarHBondContact O-OG 2.96Å; L181-S185 VanDerWaalsContact O-OG 3.09Å
186	C	64.1	Low	72.3	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.014	35%	0.353	C	S	.	.	H	α-helix	trans	-93	-36.2	-172.7	-75.5	0	0	0	0	113.6	T116 V120 C183 C184 K188 D189 D190	T116-C186 HydrophobicContact CG2-CB 3.7Å; T116-C186 VanDerWaalsContact CG2-O 3.28Å; T116-C186 WeakPolarHBondContact CG2-O 3.24Å; V120-C186 HydrophobicContact CG2-CB 3.53Å; C183-C186 PolarHBondContact O-N 3.43Å; C184-C186 VanDerWaalsContact C-N 3.26Å; C184-C186 PolarHBondContact O-N 3.46Å; C186-K188 PolarHBondContact O-N 3.38Å; C186-D189 PolarHBondContact O-N 3.04Å; C186-D190 PolarHBondContact O-N 2.71Å
187	S	58.2	Low	70.2	Confident	67 Å²	67	76.3 Å²	76.3	47%	0.469	38%	0.376	S	S	.	.	H	α-helix	trans	-60.4	-28.9	176.4	-68.6	0	0	0	0	113.7	C183 D189 M191	C183-S187 PolarHBondContact O-N 3.45Å; C183-S187 PolarHBondContact O-OG 3.21Å; S187-D189 VanDerWaalsContact C-N 3.29Å; S187-D189 PolarHBondContact O-N 3.47Å; S187-M191 PolarHBondContact O-N 3.48Å
188	K	55.2	Low	68	Low	141 Å²	141	81.5 Å²	81.5	61%	0.613	39%	0.388	S	S	*	.	H	α-helix	trans	-67.8	-27.3	176.1	-71.6	-179.3	177.3	175.7	0	113.2	C186 R192	C186-K188 PolarHBondContact O-N 3.38Å; K188-R192 WeakPolarHBondContact O-CG 3.42Å
189	D	55.7	Low	66	Low	46 Å²	46	89.7 Å²	89.7	25%	0.246	43%	0.426	C	S	.	.	H	α-helix	trans	-83.5	-35.1	178.7	-77.9	-35.3	0	0	0	111.9	N3 K103 C186 S187 R192 G193	N3-D189 PolarHBondContact ND2-OD1 2.75Å; N3-D189 PolarHBondContact ND2-OD2 2.93Å; K103-D189 IonicContact NZ-OD2 2.63Å; K103-D189 PolarHBondContact NZ-OD2 2.99Å; C186-D189 PolarHBondContact O-N 3.04Å; S187-D189 VanDerWaalsContact C-N 3.29Å; S187-D189 PolarHBondContact O-N 3.47Å; D189-R192 PolarHBondContact O-N 3.35Å; D189-G193 PolarHBondContact O-N 3.42Å
190	D	55	Low	64	Low	60 Å²	60	93.2 Å²	93.2	32%	0.321	45%	0.451	S	S	.	.	H	α-helix	trans	-67.5	-39.3	178.9	-149.8	28.4	0	0	0	111.8	T116 C186 R192 G193 Q194	T116-D190 HydrophobicContact CG2-CB 4.29Å; C186-D190 PolarHBondContact O-N 2.71Å; D190-R192 PolarHBondContact O-N 2.84Å; D190-G193 PolarHBondContact O-N 3.18Å; D190-Q194 WeakPolarHBondContact O-CB 3.42Å; D190-Q194 PolarHBondContact O-N 3.13Å
191	M	52	Low	61.7	Low	134 Å²	134	97.9 Å²	97.9	66%	0.66	47%	0.468	S	S	*	.	H	α-helix	trans	-61.4	-41.7	173	-80.8	-157.3	-178.2	0	0	112.7	S187 Q195	S187-M191 PolarHBondContact O-N 3.48Å; M191-Q195 PolarHBondContact O-N 2.89Å; M191-Q195 PolarHBondContact O-OE1 2.98Å
192	R	53.6	Low	59.5	Low	190 Å²	190	100.3 Å²	100.3	72%	0.717	49%	0.487	S	S	*	.	H	α-helix	trans	-71.2	-36.7	179.4	-66.5	179.1	88.9	150.8	7.4	111.7	K188 D189 D190 Q195 Y196	K188-R192 WeakPolarHBondContact O-CG 3.42Å; D189-R192 PolarHBondContact O-N 3.35Å; D190-R192 PolarHBondContact O-N 2.84Å; R192-Q195 PolarHBondContact O-N 3.27Å; R192-Y196 PolarHBondContact O-N 3.17Å; R192-Y196 VanDerWaalsContact O-N 3.08Å
193	G	54.8	Low	57.5	Low	42 Å²	42	106.3 Å²	106.3	43%	0.433	53%	0.529	S	S	.	.	H	α-helix	trans	-66.1	-42.6	174.3	0	0	0	0	0	112.9	D189 D190 Y196 Y197	D189-G193 PolarHBondContact O-N 3.42Å; D190-G193 PolarHBondContact O-N 3.18Å; G193-Y196 PolarHBondContact O-N 2.89Å; G193-Y197 PolarHBondContact O-N 3.08Å
194	Q	54.9	Low	55.7	Low	130 Å²	130	111 Å²	111	61%	0.607	56%	0.557	S	S	*	*	H	α-helix	trans	-64.4	-40	173.8	-89.6	-173.9	-22.5	0	0	112.5	D190 Y196 Y197 R198	D190-Q194 WeakPolarHBondContact O-CB 3.42Å; D190-Q194 PolarHBondContact O-N 3.13Å; Q194-Y196 VanDerWaalsContact C-N 3.33Å; Q194-Y196 PolarHBondContact O-N 3.46Å; Q194-Y197 PolarHBondContact O-N 3.14Å; Q194-R198 WeakPolarHBondContact O-CB 3.16Å; Q194-R198 PolarHBondContact O-N 2.94Å
195	Q	52.2	Low	53.9	Low	129 Å²	129	111.7 Å²	111.7	60%	0.603	57%	0.569	S	S	*	*	H	α-helix	trans	-63.7	-38.5	174.7	-90.5	168.1	-73	0	0	112.2	M191 R192 Q199	M191-Q195 PolarHBondContact O-N 2.89Å; M191-Q195 PolarHBondContact O-OE1 2.98Å; R192-Q195 PolarHBondContact O-N 3.27Å; Q195-Q199 VanDerWaalsContact O-CB 3.3Å; Q195-Q199 WeakPolarHBondContact O-CB 3.47Å; Q195-Q199 PolarHBondContact O-N 3.42Å; Q195-Q199 VanDerWaalsContact O-N 3.08Å
196	Y	53.7	Low	52.3	Low	190 Å²	190	123.5 Å²	123.5	75%	0.745	61%	0.613	S	S	*	*	H	α-helix	trans	-67.9	-44.5	176.2	-160.8	-96.8	0	0	0	112	R192 G193 Q194 R198 Q199 S200	R192-Y196 PolarHBondContact O-N 3.17Å; R192-Y196 VanDerWaalsContact O-N 3.08Å; G193-Y196 PolarHBondContact O-N 2.89Å; Q194-Y196 VanDerWaalsContact C-N 3.33Å; Q194-Y196 PolarHBondContact O-N 3.46Å; Y196-R198 PolarHBondContact O-N 3.09Å; Y196-Q199 PolarHBondContact O-N 3.38Å; Y196-S200 PolarHBondContact O-N 3.47Å; Y196-S200 PolarHBondContact O-OG 2.92Å
197	Y	52.8	Low	51.2	Low	178 Å²	178	131.9 Å²	131.9	70%	0.698	65%	0.652	S	S	*	*	H	α-helix	trans	-65.3	-37.3	177.8	-160.7	-91	0	0	0	112.6	G193 Q194 Q199 S200	G193-Y197 PolarHBondContact O-N 3.08Å; Q194-Y197 PolarHBondContact O-N 3.14Å; Y197-Q199 VanDerWaalsContact C-N 3.31Å; Y197-Q199 PolarHBondContact O-N 2.97Å; Y197-S200 WeakPolarHBondContact CA-OG 3.25Å; Y197-S200 PolarHBondContact O-N 3.22Å; Y197-S200 PolarHBondContact O-OG 3.26Å
198	R	50.8	Low	50.4	Low	209 Å²	209	134 Å²	134	79%	0.789	66%	0.664	S	S	*	*	H	α-helix	trans	-69.3	-28.4	175.9	-165	176.5	-169.2	162.8	3.2	112.5	Q194 Y196	Q194-R198 WeakPolarHBondContact O-CB 3.16Å; Q194-R198 PolarHBondContact O-N 2.94Å; Y196-R198 PolarHBondContact O-N 3.09Å
199	Q	54.3	Low	49.9	Very low	172 Å²	172	134.5 Å²	134.5	80%	0.804	67%	0.673	S	S	*	*	H	α-helix	trans	-84.9	-21.9	178.2	-165.3	144.5	-24.7	0	0	113.1	Q195 Y196 Y197 Q201	Q195-Q199 VanDerWaalsContact O-CB 3.3Å; Q195-Q199 WeakPolarHBondContact O-CB 3.47Å; Q195-Q199 PolarHBondContact O-N 3.42Å; Q195-Q199 VanDerWaalsContact O-N 3.08Å; Y196-Q199 PolarHBondContact O-N 3.38Å; Y197-Q199 VanDerWaalsContact C-N 3.31Å; Y197-Q199 PolarHBondContact O-N 2.97Å; Q199-Q201 VanDerWaalsContact C-N 3.34Å
200	S	52.7	Low	49.2	Very low	75 Å²	75	138.2 Å²	138.2	52%	0.524	70%	0.697	S	S	.	*	S	Bend	trans	-83	-3.4	173.6	52.6	0	0	0	0	114.6	Y196 Y197 P202	Y196-S200 PolarHBondContact O-N 3.47Å; Y196-S200 PolarHBondContact O-OG 2.92Å; Y197-S200 WeakPolarHBondContact CA-OG 3.25Å; Y197-S200 PolarHBondContact O-N 3.22Å; Y197-S200 PolarHBondContact O-OG 3.26Å; S200-P202 VanDerWaalsContact O-CD 3.31Å; S200-P202 WeakPolarHBondContact O-CD 3.14Å
201	Q	44.6	Very low	48.5	Very low	140 Å²	140	144.3 Å²	144.3	65%	0.654	72%	0.721	S	S	*	*	S	Bend	trans	-85.9	111.1	176.1	-159.4	161.3	4.8	0	0	109	Q199 S203	Q199-Q201 VanDerWaalsContact C-N 3.34Å; Q201-S203 PolarHBondContact O-N 3.32Å; Q201-S203 VanDerWaalsContact O-N 3.17Å
202	P	45.8	Very low	47.9	Very low	99 Å²	99	143.7 Å²	143.7	64%	0.643	73%	0.73	S	S	*	*			trans	-66	120.8	177.6	25.8	-29.7	0	0	0	108.4	S200 T204	S200-P202 VanDerWaalsContact O-CD 3.31Å; S200-P202 WeakPolarHBondContact O-CD 3.14Å; P202-T204 VanDerWaalsContact C-N 3.31Å; P202-T204 PolarHBondContact O-N 2.6Å; P202-T204 PolarHBondContact O-OG1 2.76Å
203	S	48.3	Very low	47.1	Very low	129 Å²	129	140.9 Å²	140.9	90%	0.902	73%	0.734	S	S	*	*			trans	-58.2	96.2	169.4	-171.4	0	0	0	0	108	Q201	Q201-S203 PolarHBondContact O-N 3.32Å; Q201-S203 VanDerWaalsContact O-N 3.17Å
204	T	50.3	Low	46.5	Very low	120 Å²	120	144.3 Å²	144.3	74%	0.736	75%	0.749	S	S	*	*			trans	-95.1	124.4	179.6	29.7	0	0	0	0	108.8	P202	P202-T204 VanDerWaalsContact C-N 3.31Å; P202-T204 PolarHBondContact O-N 2.6Å; P202-T204 PolarHBondContact O-OG1 2.76Å
205	A	44.8	Very low	45.7	Very low	91 Å²	91	144.3 Å²	144.3	75%	0.752	76%	0.76	S	S	*	*			trans	74.3	87.8	164.3	0	0	0	0	0	118.6
206	R	44.3	Very low	45.2	Very low	250 Å²	250	146.1 Å²	146.1	94%	0.943	77%	0.769	S	S	*	*			trans	-97.2	103.2	133.3	-157.9	177.1	-167.8	171.3	3.2	105.6
207	E	41.7	Very low	44.7	Very low	177 Å²	177	146 Å²	146	83%	0.827	77%	0.772	S	S	*	*			trans	-52.4	134.1	-180	-73.2	176.9	100	0	0	111.7
208	P	41.9	Very low	44	Very low	113 Å²	113	147.5 Å²	147.5	73%	0.734	78%	0.776	S	S	*	*			trans	-86.2	112.1	159.6	28.4	-18.8	0	0	0	108.6	V210	P208-V210 PolarHBondContact O-N 2.97Å
209	N	42.9	Very low	43.5	Very low	150 Å²	150	143.6 Å²	143.6	80%	0.802	77%	0.767	S	S	*	*			trans	-64.8	98.5	169.6	-170.3	-44	0	0	0	108.9
210	V	41.2	Very low	42.8	Very low	124 Å²	124	144.3 Å²	144.3	75%	0.752	77%	0.77	S	S	*	*			trans	-106.6	103.7	170.4	178.9	0	0	0	0	107.6	P208 S212	P208-V210 PolarHBondContact O-N 2.97Å; V210-S212 PolarHBondContact O-N 3.36Å
211	K	41.3	Very low	42.4	Very low	188 Å²	188	149.8 Å²	149.8	82%	0.817	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-56.3	121.9	170.3	-85.6	177.2	173.2	178.3	0	110.2
212	S	39.5	Very low	42	Very low	121 Å²	121	154.7 Å²	154.7	85%	0.846	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-99.7	118.8	165.4	47.6	0	0	0	0	110.2	V210	V210-S212 PolarHBondContact O-N 3.36Å
213	T	36.9	Very low	41.8	Very low	131 Å²	131	157.5 Å²	157.5	80%	0.804	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-96.3	150.9	165.2	-15.3	0	0	0	0	108
214	P	41.7	Very low	41.5	Very low	115 Å²	115	158.9 Å²	158.9	75%	0.747	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-92.6	160.2	-155.5	36.5	-31.9	0	0	0	113.5
215	P	38.2	Very low	41	Very low	129 Å²	129	161.1 Å²	161.1	84%	0.838	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-92	145.1	170.5	34.1	-28.1	0	0	0	113.1
216	E	41.7	Very low	40.8	Very low	168 Å²	168	165.2 Å²	165.2	79%	0.785	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-59.3	134.3	178.5	-171.7	178.6	120.4	0	0	113.4
217	K	42.1	Very low	40.5	Very low	186 Å²	186	159.9 Å²	159.9	81%	0.809	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-73.7	126.6	173.1	-81.2	-172.3	174.7	-167.4	0	110.8
218	R	38.5	Very low	40.5	Very low	210 Å²	210	158.8 Å²	158.8	79%	0.792	81%	0.814	S	S	*	*			trans	-138	88.1	156.1	-164.1	-174.7	-68.5	-137.3	2	109.5
219	E	41.6	Very low	40.3	Very low	128 Å²	128	162.1 Å²	162.1	60%	0.598	82%	0.82	S	S	*	*			trans	-84.6	118	164.2	-84.9	177.9	95.7	0	0	108.7	Y221	E219-Y221 HydrophobicContact CB-CD2 4.18Å; E219-Y221 HydrophobicContact CB-CE2 3.88Å; E219-Y221 HydrophobicContact CG-CE2 4.28Å; E219-Y221 WeakPolarHBondContact OE1-CE2 3.48Å; E219-Y221 PolarHBondContact OE1-OH 3.15Å
220	Q	39.7	Very low	40.1	Very low	187 Å²	187	163 Å²	163	87%	0.874	82%	0.821	S	S	*	*			trans	-84.9	123.6	159.6	-73.5	176.6	-66.5	0	0	107.5
221	Y	43.7	Very low	40.1	Very low	189 Å²	189	166.3 Å²	166.3	74%	0.741	83%	0.827	S	S	*	*			trans	-104.8	126.7	165.8	-83.4	-92.9	0	0	0	109.5	E219	E219-Y221 HydrophobicContact CB-CD2 4.18Å; E219-Y221 HydrophobicContact CB-CE2 3.88Å; E219-Y221 HydrophobicContact CG-CE2 4.28Å; E219-Y221 WeakPolarHBondContact OE1-CE2 3.48Å; E219-Y221 PolarHBondContact OE1-OH 3.15Å
222	L	36	Very low	40	Very low	243 Å²	243	164.3 Å²	164.3	100%	1.272	83%	0.828	S	S	*	*			trans	-80.1	0	148.9	-108.7	155.8	0	0	0	108.1

Retrieved 222 of 222 residues in 1722.3 ms (Link to these results)

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