A0A5K4F8A8_SCHMA Loading...

ATS domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8A8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 139 aa.

						>A0A5K4F8A8_SCHMA|A0A5K4F8A8
MNDLFHIINNNILIMSTFVSLCSPHKKLNKNTVNYVINSNTTDNTTDTTNTTTTTTHNNNNKYINVHPISKEKLKNFLYRLDQLPFIDEMYQNDEYQNMYASFDNFSIIYMDNEKNFIKNQSITYKSTTGKLCSCFTKK
					

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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	33.5	Very low	35.1	Very low	232 Å²	232	86.2 Å²	86.2	100%	1.143	44%	0.435	S	S	*	.				0	12.3	0	-89.1	-175.9	-179.8	0	0	113.9
2	N	31.7	Very low	35.5	Very low	124 Å²	124	82.2 Å²	82.2	66%	0.663	42%	0.415	S	S	*	.			trans	-107.7	-13.9	179.1	-81.6	-17	0	0	0	114.5
3	D	31.5	Very low	36.4	Very low	122 Å²	122	83.2 Å²	83.2	65%	0.652	42%	0.422	S	S	*	.	H	α-helix	trans	-83.4	-34.7	-169.6	-55.6	-54.2	0	0	0	113.4	F5 H6 I7	D3-F5 PolarHBondContact O-N 3.4Å; D3-H6 PolarHBondContact O-N 3.11Å; D3-I7 WeakPolarHBondContact O-CD1 3.45Å; D3-I7 VanDerWaalsContact O-CG1 3.25Å; D3-I7 WeakPolarHBondContact O-CG1 2.92Å; D3-I7 PolarHBondContact O-N 3.02Å; D3-I7 VanDerWaalsContact O-N 3.12Å
4	L	30.8	Very low	37.2	Very low	91 Å²	91	79.4 Å²	79.4	48%	0.476	40%	0.402	S	S	.	.	H	α-helix	trans	-68.4	-37.7	179.6	-166	64.6	0	0	0	112.6	H6 I7 I8 M90 Y96	L4-H6 VanDerWaalsContact C-N 3.33Å; L4-H6 PolarHBondContact O-N 2.72Å; L4-I7 PolarHBondContact O-N 3.31Å; L4-I8 HydrophobicContact CG-CD1 4.31Å; L4-I8 WeakPolarHBondContact O-CG1 3.04Å; L4-I8 PolarHBondContact O-N 3Å; L4-I8 VanDerWaalsContact O-N 3.11Å; L4-M90 HydrophobicContact CD1-CE 4Å; L4-Y96 WeakPolarHBondContact CD1-OH 3.05Å
5	F	29.9	Very low	38.1	Very low	90 Å²	90	76.7 Å²	76.7	40%	0.395	39%	0.389	S	S	.	.	H	α-helix	trans	-64.8	-37.9	177.4	-149.4	-125.9	0	0	0	110.6	D3 N9 C133 C135	D3-F5 PolarHBondContact O-N 3.4Å; F5-N9 WeakPolarHBondContact O-CB 3.35Å; F5-N9 PolarHBondContact O-N 3.25Å; F5-C133 WeakPolarHBondContact CE2-SG 3.42Å; F5-C135 HydrophobicContact CB-CB 4.44Å; F5-C135 HydrophobicContact CD1-CB 3.07Å; F5-C135 WeakPolarHBondContact CD1-SG 3.22Å; F5-C135 HydrophobicContact CD2-CB 4.18Å; F5-C135 WeakPolarHBondContact CD2-SG 3.16Å; F5-C135 HydrophobicContact CE1-CB 3.04Å; F5-C135 VanDerWaalsContact CE1-N 3.27Å; F5-C135 WeakPolarHBondContact CE1-SG 3.25Å; F5-C135 HydrophobicContact CE2-CB 4.19Å; F5-C135 WeakPolarHBondContact CE2-SG 3.38Å; F5-C135 HydrophobicContact CG-CB 3.62Å; F5-C135 WeakPolarHBondContact CG-SG 3.24Å; F5-C135 HydrophobicContact CZ-CB 3.62Å; F5-C135 WeakPolarHBondContact CZ-SG 3.3Å; F5-C135 PolarHBondContact O-SG 3.47Å
6	H	35	Very low	38.4	Very low	99 Å²	99	74.2 Å²	74.2	46%	0.458	38%	0.38	S	S	.	.	H	α-helix	trans	-70.7	-35.2	174.1	-89.2	-48.9	0	0	0	114	D3 L4 N10	D3-H6 PolarHBondContact O-N 3.11Å; L4-H6 VanDerWaalsContact C-N 3.33Å; L4-H6 PolarHBondContact O-N 2.72Å; H6-N10 WeakPolarHBondContact O-CB 3.33Å; H6-N10 VanDerWaalsContact O-CG 3.26Å; H6-N10 PolarHBondContact O-N 3.39Å; H6-N10 VanDerWaalsContact O-N 3.11Å; H6-N10 PolarHBondContact O-ND2 2.87Å
7	I	36.4	Very low	38.7	Very low	53 Å²	53	71.1 Å²	71.1	27%	0.272	37%	0.365	S	S	.	.	H	α-helix	trans	-71.4	-39.8	180	-66.5	161	0	0	0	111.6	D3 L4 N10 N11 M90	D3-I7 WeakPolarHBondContact O-CD1 3.45Å; D3-I7 VanDerWaalsContact O-CG1 3.25Å; D3-I7 WeakPolarHBondContact O-CG1 2.92Å; D3-I7 PolarHBondContact O-N 3.02Å; D3-I7 VanDerWaalsContact O-N 3.12Å; L4-I7 PolarHBondContact O-N 3.31Å; I7-N10 PolarHBondContact O-N 3.36Å; I7-N11 PolarHBondContact O-N 2.9Å; I7-N11 PolarHBondContact O-ND2 2.77Å; I7-M90 HydrophobicContact CG2-CE 3.69Å; I7-M90 HydrophobicContact CG2-SD 4.18Å
8	I	32.7	Very low	39.1	Very low	36 Å²	36	67.7 Å²	67.7	19%	0.185	35%	0.348	C	S	.	.	H	α-helix	trans	-63.6	-43.1	175.9	-70.4	167.1	0	0	0	111.1	L4 N10 N11 I12 Y96 C133	L4-I8 HydrophobicContact CG-CD1 4.31Å; L4-I8 WeakPolarHBondContact O-CG1 3.04Å; L4-I8 PolarHBondContact O-N 3Å; L4-I8 VanDerWaalsContact O-N 3.11Å; I8-N10 PolarHBondContact O-N 2.76Å; I8-N11 PolarHBondContact O-N 3.4Å; I8-I12 HydrophobicContact CG2-CD1 3.81Å; I8-I12 WeakPolarHBondContact O-CD1 3.19Å; I8-I12 WeakPolarHBondContact O-CG1 3.2Å; I8-I12 PolarHBondContact O-N 3.33Å; I8-Y96 HydrophobicContact CD1-CE1 4.2Å; I8-Y96 HydrophobicContact CG1-CE1 3.95Å; I8-C133 HydrophobicContact CG2-CB 4.12Å
9	N	40	Very low	39	Very low	1 Å²	1	68.6 Å²	68.6	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-61.1	-41.7	175.9	-102.4	16.9	0	0	0	113.7	F5 I12 L13 C135 F136	F5-N9 WeakPolarHBondContact O-CB 3.35Å; F5-N9 PolarHBondContact O-N 3.25Å; N9-I12 PolarHBondContact O-N 3.14Å; N9-L13 PolarHBondContact O-N 3.49Å; N9-L13 VanDerWaalsContact O-N 3.11Å; N9-C135 HydrophobicContact CB-CB 4.36Å; N9-C135 VanDerWaalsContact CG-SG 3.54Å; N9-C135 WeakPolarHBondContact ND2-CA 3.33Å; N9-C135 WeakPolarHBondContact ND2-CB 3.4Å; N9-C135 PolarHBondContact ND2-O 3.17Å; N9-C135 VanDerWaalsContact ND2-O 3.16Å; N9-C135 WeakPolarHBondContact OD1-CA 3.43Å; N9-C135 WeakPolarHBondContact OD1-CB 2.85Å; N9-C135 PolarHBondContact OD1-SG 3.42Å; N9-F136 HydrophobicContact CB-CD2 4.43Å; N9-F136 HydrophobicContact CB-CE1 3.85Å; N9-F136 HydrophobicContact CB-CE2 3.62Å; N9-F136 HydrophobicContact CB-CZ 3.29Å; N9-F136 WeakPolarHBondContact ND2-CD1 3.3Å; N9-F136 WeakPolarHBondContact ND2-CD2 3.44Å; N9-F136 WeakPolarHBondContact ND2-CE1 3.26Å; N9-F136 WeakPolarHBondContact ND2-CE2 3.41Å; N9-F136 WeakPolarHBondContact ND2-CG 3.28Å; N9-F136 WeakPolarHBondContact ND2-CZ 3.39Å; N9-F136 WeakPolarHBondContact O-CZ 3.46Å; N9-F136 WeakPolarHBondContact OD1-CD2 3.41Å; N9-F136 WeakPolarHBondContact OD1-CE2 3.3Å
10	N	41.5	Very low	39.2	Very low	84 Å²	84	66.7 Å²	66.7	45%	0.449	35%	0.349	S	S	.	.	H	α-helix	trans	-67.7	-39.9	-178.7	-76.4	-19.7	0	0	0	111.6	H6 I7 I8 L13 I14	H6-N10 WeakPolarHBondContact O-CB 3.33Å; H6-N10 VanDerWaalsContact O-CG 3.26Å; H6-N10 PolarHBondContact O-N 3.39Å; H6-N10 VanDerWaalsContact O-N 3.11Å; H6-N10 PolarHBondContact O-ND2 2.87Å; I7-N10 PolarHBondContact O-N 3.36Å; I8-N10 PolarHBondContact O-N 2.76Å; N10-L13 PolarHBondContact O-N 3.16Å; N10-I14 WeakPolarHBondContact O-CB 3.36Å; N10-I14 WeakPolarHBondContact O-CD1 3.36Å; N10-I14 WeakPolarHBondContact O-CG1 3.4Å; N10-I14 PolarHBondContact O-N 3.37Å
11	N	42.9	Very low	39.1	Very low	16 Å²	16	64.9 Å²	64.9	9%	0.086	34%	0.34	C	S	.	.	H	α-helix	trans	-68.3	-34.7	177.3	-74.5	-58.5	0	0	0	113.4	I7 I8 I14 M15 M99	I7-N11 PolarHBondContact O-N 2.9Å; I7-N11 PolarHBondContact O-ND2 2.77Å; I8-N11 PolarHBondContact O-N 3.4Å; N11-I14 PolarHBondContact O-N 3.4Å; N11-M15 WeakPolarHBondContact O-CG 3.32Å; N11-M15 PolarHBondContact O-N 2.89Å; N11-M99 HydrophobicContact CB-SD 4.13Å
12	I	40.5	Very low	39.3	Very low	38 Å²	38	54.1 Å²	54.1	20%	0.195	29%	0.287	C	S	.	.	H	α-helix	trans	-63.6	-41.2	172.1	-76.8	163.7	0	0	0	112	I8 N9 M15 S16 L132	I8-I12 HydrophobicContact CG2-CD1 3.81Å; I8-I12 WeakPolarHBondContact O-CD1 3.19Å; I8-I12 WeakPolarHBondContact O-CG1 3.2Å; I8-I12 PolarHBondContact O-N 3.33Å; N9-I12 PolarHBondContact O-N 3.14Å; I12-M15 PolarHBondContact O-N 3.27Å; I12-S16 PolarHBondContact O-N 3.12Å; I12-S16 VanDerWaalsContact O-N 3.08Å; I12-S16 PolarHBondContact O-OG 2.8Å; I12-L132 HydrophobicContact CB-CD2 4.16Å; I12-L132 HydrophobicContact CD1-CD2 3.5Å; I12-L132 VanDerWaalsContact CD1-CD2 3.5Å; I12-L132 HydrophobicContact CG1-CD2 3.61Å; I12-L132 HydrophobicContact CG2-CD2 3.47Å; I12-L132 VanDerWaalsContact CG2-CD2 3.47Å
13	L	46.3	Very low	39.6	Very low	96 Å²	96	52.6 Å²	52.6	50%	0.503	29%	0.286	S	S	.	.	H	α-helix	trans	-67.4	-40	176.7	-169.2	70.7	0	0	0	111.2	N9 N10 S16 T17	N9-L13 PolarHBondContact O-N 3.49Å; N9-L13 VanDerWaalsContact O-N 3.11Å; N10-L13 PolarHBondContact O-N 3.16Å; L13-S16 PolarHBondContact O-OG 3.42Å; L13-T17 WeakPolarHBondContact O-CB 3.37Å; L13-T17 PolarHBondContact O-N 3.05Å; L13-T17 VanDerWaalsContact O-N 3.16Å; L13-T17 PolarHBondContact O-OG1 2.96Å
14	I	48.6	Very low	39.8	Very low	29 Å²	29	48.4 Å²	48.4	15%	0.149	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-43.5	175.9	-71.3	158.7	0	0	0	111.3	N10 N11 T17 F18 F77 L81	N10-I14 WeakPolarHBondContact O-CB 3.36Å; N10-I14 WeakPolarHBondContact O-CD1 3.36Å; N10-I14 WeakPolarHBondContact O-CG1 3.4Å; N10-I14 PolarHBondContact O-N 3.37Å; N11-I14 PolarHBondContact O-N 3.4Å; I14-T17 PolarHBondContact O-N 3.49Å; I14-F18 HydrophobicContact CG2-CD2 4.48Å; I14-F18 PolarHBondContact O-N 3.18Å; I14-F18 VanDerWaalsContact O-N 3.13Å; I14-F77 HydrophobicContact CB-CE1 4.18Å; I14-F77 HydrophobicContact CD1-CE1 3.69Å; I14-F77 HydrophobicContact CD1-CZ 3.33Å; I14-F77 HydrophobicContact CG1-CE1 3.63Å; I14-F77 HydrophobicContact CG1-CZ 3.5Å; I14-F77 VanDerWaalsContact CG1-CZ 3.5Å; I14-F77 HydrophobicContact CG2-CD1 4.31Å; I14-F77 HydrophobicContact CG2-CE1 3.47Å; I14-F77 VanDerWaalsContact CG2-CE1 3.47Å; I14-F77 HydrophobicContact CG2-CZ 4.26Å; I14-L81 HydrophobicContact CG2-CD1 4.4Å
15	M	50.2	Low	40.1	Very low	40 Å²	40	49.6 Å²	49.6	20%	0.197	27%	0.268	C	S	.	.	H	α-helix	trans	-66.3	-47.4	177.7	-79.5	-128.8	80.5	0	0	113.4	N11 I12 T17 F18 V19 F103	N11-M15 WeakPolarHBondContact O-CG 3.32Å; N11-M15 PolarHBondContact O-N 2.89Å; I12-M15 PolarHBondContact O-N 3.27Å; M15-T17 PolarHBondContact O-N 2.88Å; M15-F18 WeakPolarHBondContact O-CB 3.31Å; M15-F18 PolarHBondContact O-N 3.02Å; M15-F18 VanDerWaalsContact O-N 3.17Å; M15-V19 WeakPolarHBondContact O-CG2 2.89Å; M15-V19 PolarHBondContact O-N 2.83Å; M15-V19 VanDerWaalsContact O-N 3.09Å; M15-F103 HydrophobicContact CE-CE1 4.34Å; M15-F103 HydrophobicContact CE-CZ 4.2Å; M15-F103 HydrophobicContact CG-CE1 4.19Å; M15-F103 HydrophobicContact CG-CE2 3.91Å; M15-F103 HydrophobicContact CG-CZ 3.38Å; M15-F103 HydrophobicContact SD-CE2 3.97Å; M15-F103 HydrophobicContact SD-CZ 3.93Å
16	S	42.2	Very low	40.1	Very low	36 Å²	36	53.7 Å²	53.7	25%	0.252	29%	0.286	S	S	.	.	H	α-helix	trans	-61.7	-31.3	178.4	58.2	0	0	0	0	112.8	I12 L13 S20 Y35	I12-S16 PolarHBondContact O-N 3.12Å; I12-S16 VanDerWaalsContact O-N 3.08Å; I12-S16 PolarHBondContact O-OG 2.8Å; L13-S16 PolarHBondContact O-OG 3.42Å; S16-S20 PolarHBondContact O-N 3Å; S16-Y35 PolarHBondContact O-OH 3.01Å; S16-Y35 VanDerWaalsContact O-OH 3.07Å
17	T	44.2	Very low	39.7	Very low	21 Å²	21	59.1 Å²	59.1	13%	0.129	31%	0.308	C	S	.	.	H	α-helix	trans	-74.9	-35.4	177.3	-50	0	0	0	0	111.9	L13 I14 M15 S20 L21 V66 I69	L13-T17 WeakPolarHBondContact O-CB 3.37Å; L13-T17 PolarHBondContact O-N 3.05Å; L13-T17 VanDerWaalsContact O-N 3.16Å; L13-T17 PolarHBondContact O-OG1 2.96Å; I14-T17 PolarHBondContact O-N 3.49Å; M15-T17 PolarHBondContact O-N 2.88Å; T17-S20 PolarHBondContact O-N 3.27Å; T17-L21 HydrophobicContact CG2-CD1 4.22Å; T17-L21 WeakPolarHBondContact O-CD1 3.38Å; T17-L21 WeakPolarHBondContact O-CG 3.44Å; T17-L21 PolarHBondContact O-N 2.88Å; T17-V66 HydrophobicContact CG2-CG1 4.14Å; T17-I69 HydrophobicContact CG2-CD1 3.46Å; T17-I69 VanDerWaalsContact CG2-CD1 3.46Å; T17-I69 HydrophobicContact CG2-CG1 4.13Å
18	F	45.6	Very low	39.4	Very low	11 Å²	11	62 Å²	62	5%	0.048	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-43.2	171.9	-111.7	-84.6	0	0	0	112.5	I14 M15 S20 L21 C22 L74 L78 F106 M111	I14-F18 HydrophobicContact CG2-CD2 4.48Å; I14-F18 PolarHBondContact O-N 3.18Å; I14-F18 VanDerWaalsContact O-N 3.13Å; M15-F18 WeakPolarHBondContact O-CB 3.31Å; M15-F18 PolarHBondContact O-N 3.02Å; M15-F18 VanDerWaalsContact O-N 3.17Å; F18-S20 VanDerWaalsContact C-N 3.31Å; F18-S20 PolarHBondContact O-N 3.19Å; F18-L21 PolarHBondContact O-N 3.34Å; F18-C22 PolarHBondContact O-N 3.05Å; F18-C22 PolarHBondContact O-SG 2.94Å; F18-L74 HydrophobicContact CD1-CD1 4.12Å; F18-L74 HydrophobicContact CD1-CD2 3.77Å; F18-L74 HydrophobicContact CD1-CG 4.18Å; F18-L74 HydrophobicContact CD2-CD1 3.45Å; F18-L74 VanDerWaalsContact CD2-CD1 3.45Å; F18-L74 HydrophobicContact CD2-CG 4.25Å; F18-L74 HydrophobicContact CE1-CD1 3.77Å; F18-L74 HydrophobicContact CE1-CD2 3.29Å; F18-L74 HydrophobicContact CE1-CG 3.46Å; F18-L74 VanDerWaalsContact CE1-CG 3.46Å; F18-L74 HydrophobicContact CE2-CD1 3.06Å; F18-L74 HydrophobicContact CE2-CD2 4.25Å; F18-L74 HydrophobicContact CE2-CG 3.57Å; F18-L74 HydrophobicContact CG-CD1 3.97Å; F18-L74 HydrophobicContact CG-CD2 4.41Å; F18-L74 HydrophobicContact CZ-CB 4.48Å; F18-L74 HydrophobicContact CZ-CD1 3.24Å; F18-L74 HydrophobicContact CZ-CD2 3.58Å; F18-L74 HydrophobicContact CZ-CG 3.11Å; F18-L78 HydrophobicContact CE1-CD1 4.24Å; F18-L78 HydrophobicContact CE2-CD1 4.19Å; F18-L78 HydrophobicContact CE2-CD2 3.64Å; F18-L78 HydrophobicContact CE2-CG 3.84Å; F18-L78 HydrophobicContact CZ-CD1 3.44Å; F18-L78 VanDerWaalsContact CZ-CD1 3.44Å; F18-L78 HydrophobicContact CZ-CD2 3.78Å; F18-L78 HydrophobicContact CZ-CG 3.56Å; F18-F106 HydrophobicContact CD1-CD1 4.21Å; F18-F106 AromaticContact CD1-CE1 3.77Å; F18-F106 HydrophobicContact CD1-CE1 3.77Å; F18-F106 HydrophobicContact CE1-CD1 4.08Å; F18-F106 AromaticContact CE1-CE1 3.84Å; F18-F106 HydrophobicContact CE1-CE1 3.84Å; F18-M111 HydrophobicContact CE1-CE 3.32Å; F18-M111 HydrophobicContact CE1-SD 4.17Å; F18-M111 HydrophobicContact CZ-CE 3.53Å
19	V	38.4	Very low	39.1	Very low	84 Å²	84	67.7 Å²	67.7	51%	0.509	35%	0.354	S	S	.	.	H	α-helix	trans	-61.8	-36.1	179.4	170	0	0	0	0	112.2	M15 L21	M15-V19 WeakPolarHBondContact O-CG2 2.89Å; M15-V19 PolarHBondContact O-N 2.83Å; M15-V19 VanDerWaalsContact O-N 3.09Å; V19-L21 VanDerWaalsContact C-N 3.26Å; V19-L21 PolarHBondContact O-N 3.46Å
20	S	42	Very low	38.5	Very low	30 Å²	30	77.2 Å²	77.2	21%	0.21	40%	0.396	C	S	.	.	H	α-helix	trans	-70.9	-21.5	173.8	-68.3	0	0	0	0	114	S16 T17 F18 Y35	S16-S20 PolarHBondContact O-N 3Å; T17-S20 PolarHBondContact O-N 3.27Å; F18-S20 VanDerWaalsContact C-N 3.31Å; F18-S20 PolarHBondContact O-N 3.19Å; S20-Y35 PolarHBondContact OG-OH 3.12Å
21	L	37.1	Very low	37.9	Very low	30 Å²	30	78.4 Å²	78.4	16%	0.157	40%	0.402	C	S	.	.	H	α-helix	trans	-100	-12.8	-169.5	-82.1	171.8	0	0	0	115.9	T17 F18 V19 P68 I69 L74	T17-L21 HydrophobicContact CG2-CD1 4.22Å; T17-L21 WeakPolarHBondContact O-CD1 3.38Å; T17-L21 WeakPolarHBondContact O-CG 3.44Å; T17-L21 PolarHBondContact O-N 2.88Å; F18-L21 PolarHBondContact O-N 3.34Å; V19-L21 VanDerWaalsContact C-N 3.26Å; V19-L21 PolarHBondContact O-N 3.46Å; L21-P68 HydrophobicContact CD2-CB 3.41Å; L21-P68 VanDerWaalsContact CD2-CB 3.41Å; L21-I69 HydrophobicContact CD1-CB 3.35Å; L21-I69 HydrophobicContact CD1-CD1 4.32Å; L21-I69 HydrophobicContact CD1-CG1 3.86Å; L21-I69 VanDerWaalsContact CD1-N 3.31Å; L21-I69 WeakPolarHBondContact CD1-O 3.37Å; L21-I69 VanDerWaalsContact CD2-N 3.25Å; L21-I69 WeakPolarHBondContact CD2-O 3.26Å; L21-L74 HydrophobicContact CD1-CD1 4.49Å
22	C	38.7	Very low	37.2	Very low	5 Å²	5	81.7 Å²	81.7	3%	0.034	42%	0.423	C	S	.	.	S	Bend	trans	-86.5	-12.8	178.6	-53.7	0	0	0	0	113.1	F18 P24 F106 F117 Q121	F18-C22 PolarHBondContact O-N 3.05Å; F18-C22 PolarHBondContact O-SG 2.94Å; C22-P24 VanDerWaalsContact O-CD 3.31Å; C22-P24 WeakPolarHBondContact O-CD 3.48Å; C22-F106 HydrophobicContact CB-CZ 4.34Å; C22-F106 VanDerWaalsContact SG-CZ 3.52Å; C22-F117 HydrophobicContact CB-CD1 4.32Å; C22-F117 HydrophobicContact CB-CD2 4.45Å; C22-F117 HydrophobicContact CB-CE1 3.61Å; C22-F117 HydrophobicContact CB-CE2 3.75Å; C22-F117 HydrophobicContact CB-CZ 3.31Å; C22-F117 WeakPolarHBondContact O-CE1 3.08Å; C22-F117 WeakPolarHBondContact SG-CE2 3.42Å; C22-F117 WeakPolarHBondContact SG-CZ 3.41Å; C22-Q121 HydrophobicContact CB-CG 3.87Å; C22-Q121 PolarHBondContact O-NE2 2.78Å; C22-Q121 PolarHBondContact O-OE1 2.84Å
23	S	36.8	Very low	36.9	Very low	93 Å²	93	83.4 Å²	83.4	65%	0.65	44%	0.435	S	S	*	.			trans	-64.4	119.1	-171.9	-158.8	0	0	0	0	113.9
24	P	37	Very low	36	Very low	33 Å²	33	83 Å²	83	21%	0.214	43%	0.433	C	S	.	.			trans	-104.3	148.6	179.9	40.3	-29.6	0	0	0	107.7	C22 I118 Q121	C22-P24 VanDerWaalsContact O-CD 3.31Å; C22-P24 WeakPolarHBondContact O-CD 3.48Å; P24-I118 HydrophobicContact CB-CB 4.41Å; P24-I118 HydrophobicContact CB-CD1 3.42Å; P24-I118 VanDerWaalsContact CB-CD1 3.42Å; P24-I118 HydrophobicContact CB-CG1 3.45Å; P24-I118 VanDerWaalsContact CB-CG1 3.45Å; P24-I118 HydrophobicContact CB-CG2 4.39Å; P24-I118 HydrophobicContact CG-CB 3.84Å; P24-I118 HydrophobicContact CG-CD1 3.78Å; P24-I118 HydrophobicContact CG-CG1 3.42Å; P24-I118 VanDerWaalsContact CG-CG1 3.42Å; P24-I118 HydrophobicContact CG-CG2 3.51Å; P24-Q121 VanDerWaalsContact CD-CD 3.44Å
25	H	35.9	Very low	35.2	Very low	117 Å²	117	84.6 Å²	84.6	54%	0.542	44%	0.438	S	S	.	.			trans	104	107.7	165.7	-56.4	-55.2	0	0	0	117.4
26	K	29.3	Very low	34.2	Very low	175 Å²	175	86.4 Å²	86.4	76%	0.761	45%	0.451	S	S	*	.	S	Bend		67.4	103.9	119.8	-65.3	176.1	179.5	177	0	115.2
27	K	27.9	Very low	33.7	Very low	213 Å²	213	90.1 Å²	90.1	93%	0.926	47%	0.467	S	S	*	.			trans	50.3	71.3	158	-67.1	-177.2	175.4	-178.5	0	113.5
28	L	30	Very low	32.8	Very low	115 Å²	115	94.8 Å²	94.8	60%	0.602	49%	0.491	S	S	*	.			trans	-120.6	98.5	166.2	-92.5	142.2	0	0	0	110	K30 N31	L28-K30 PolarHBondContact O-N 3.08Å; L28-N31 HydrophobicContact CB-CB 4.33Å; L28-N31 WeakPolarHBondContact CD2-ND2 3.17Å; L28-N31 VanDerWaalsContact CD2-OD1 3.24Å; L28-N31 WeakPolarHBondContact CD2-OD1 3.44Å
29	N	26.3	Very low	32.2	Very low	154 Å²	154	98 Å²	98	82%	0.824	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44	128.4	155.5	-94.1	-27.9	0	0	0	109.2	N31	N29-N31 PolarHBondContact O-N 2.79Å; N29-N31 PolarHBondContact O-OD1 3.49Å
30	K	26.9	Very low	31.7	Very low	202 Å²	202	100.3 Å²	100.3	88%	0.878	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	57	162.5	-66.2	179.6	174.4	177	0	115.4	L28 T32	L28-K30 PolarHBondContact O-N 3.08Å; K30-T32 PolarHBondContact O-N 3.37Å
31	N	28.3	Very low	31.1	Very low	108 Å²	108	104 Å²	104	58%	0.578	55%	0.546	S	S	*	.			trans	-94.6	90.8	174.8	-91.4	19	0	0	0	113.1	L28 N29	L28-N31 HydrophobicContact CB-CB 4.33Å; L28-N31 WeakPolarHBondContact CD2-ND2 3.17Å; L28-N31 VanDerWaalsContact CD2-OD1 3.24Å; L28-N31 WeakPolarHBondContact CD2-OD1 3.44Å; N29-N31 PolarHBondContact O-N 2.79Å; N29-N31 PolarHBondContact O-OD1 3.49Å
32	T	30	Very low	30.8	Very low	86 Å²	86	108.7 Å²	108.7	53%	0.528	58%	0.576	S	S	.	*			trans	-65.5	122.8	157.7	-40.1	0	0	0	0	108.9	K30 N34 N65	K30-T32 PolarHBondContact O-N 3.37Å; T32-N34 WeakPolarHBondContact CG2-OD1 3.36Å; T32-N34 PolarHBondContact O-N 3.04Å; T32-N65 VanDerWaalsContact CG2-OD1 3.25Å; T32-N65 WeakPolarHBondContact CG2-OD1 3.39Å
33	V	32.8	Very low	30.4	Very low	73 Å²	73	114.7 Å²	114.7	44%	0.442	61%	0.608	S	S	.	*			trans	-87.3	106.5	168.3	-178.1	0	0	0	0	107.2	Y35	V33-Y35 HydrophobicContact CB-CE2 4.41Å; V33-Y35 HydrophobicContact CG1-CD2 4.37Å; V33-Y35 HydrophobicContact CG1-CE1 4.45Å; V33-Y35 HydrophobicContact CG1-CE2 3.72Å
34	N	28.7	Very low	30	Very low	88 Å²	88	117.7 Å²	117.7	47%	0.471	62%	0.616	S	S	.	*			trans	-88	116	-178.5	-82.1	-14.2	0	0	0	110.4	T32 Y63	T32-N34 WeakPolarHBondContact CG2-OD1 3.36Å; T32-N34 PolarHBondContact O-N 3.04Å; N34-Y63 HydrophobicContact CB-CD1 3.44Å; N34-Y63 VanDerWaalsContact CB-CD1 3.44Å; N34-Y63 HydrophobicContact CB-CE1 3.57Å; N34-Y63 VanDerWaalsContact CG-CE1 3.49Å; N34-Y63 VanDerWaalsContact OD1-CD1 3.3Å; N34-Y63 WeakPolarHBondContact OD1-CD1 3.25Å
35	Y	31	Very low	29.8	Very low	62 Å²	62	121.7 Å²	121.7	24%	0.243	64%	0.641	C	S	.	*			trans	-95.9	136.6	168.9	-64.9	-80.9	0	0	0	110.5	S16 S20 V33	S16-Y35 PolarHBondContact O-OH 3.01Å; S16-Y35 VanDerWaalsContact O-OH 3.07Å; S20-Y35 PolarHBondContact OG-OH 3.12Å; V33-Y35 HydrophobicContact CB-CE2 4.41Å; V33-Y35 HydrophobicContact CG1-CD2 4.37Å; V33-Y35 HydrophobicContact CG1-CE1 4.45Å; V33-Y35 HydrophobicContact CG1-CE2 3.72Å
36	V	29	Very low	29.3	Very low	79 Å²	79	122.5 Å²	122.5	48%	0.479	65%	0.654	S	S	.	*			trans	-108	117	170.1	178.1	0	0	0	0	107.8
37	I	31.5	Very low	29.2	Very low	113 Å²	113	121.3 Å²	121.3	58%	0.579	66%	0.656	S	S	*	*			trans	-100.6	107	172	-58.3	174.9	0	0	0	107.1	I64	I37-I64 HydrophobicContact CD1-CD1 4.5Å
38	N	26.6	Very low	29.3	Very low	119 Å²	119	117.5 Å²	117.5	64%	0.636	65%	0.65	S	S	*	*			trans	-88.4	106.9	170.1	-84.2	0	0	0	0	109.1
39	S	31.1	Very low	29.2	Very low	79 Å²	79	118 Å²	118	55%	0.552	66%	0.659	S	S	*	*			trans	-112.2	106.6	166.6	53.6	0	0	0	0	109
40	N	28.1	Very low	29.4	Very low	133 Å²	133	118.3 Å²	118.3	71%	0.711	66%	0.66	S	S	*	*			trans	-87.9	113.7	164.9	-75.7	0.9	0	0	0	108.1
41	T	30.7	Very low	29.2	Very low	107 Å²	107	114.5 Å²	114.5	66%	0.656	65%	0.654	S	S	*	*			trans	-125.1	126.3	170.1	-9.2	0	0	0	0	107.8
42	T	29.2	Very low	29	Very low	128 Å²	128	116.1 Å²	116.1	79%	0.785	67%	0.668	S	S	*	*			trans	-108.2	105.3	174.6	-47.5	0	0	0	0	107.2
43	D	30.9	Very low	28.7	Very low	131 Å²	131	117 Å²	117	70%	0.701	67%	0.674	S	S	*	*			trans	-105.1	114.1	178	-64.7	-30.8	0	0	0	109.2
44	N	29.3	Very low	28.3	Very low	156 Å²	156	119.8 Å²	119.8	83%	0.834	69%	0.691	S	S	*	*			trans	-93.1	106.5	166.5	-76.9	-17.1	0	0	0	107.7
45	T	31.8	Very low	28.2	Very low	118 Å²	118	120.9 Å²	120.9	72%	0.724	70%	0.701	S	S	*	*			trans	-112.9	117.1	170.3	-47.4	0	0	0	0	109.3
46	T	25.6	Very low	27.9	Very low	134 Å²	134	124.8 Å²	124.8	82%	0.822	73%	0.731	S	S	*	*			trans	-86.5	105.1	171.5	0.6	0	0	0	0	108.7
47	D	27.3	Very low	28	Very low	149 Å²	149	129.2 Å²	129.2	80%	0.797	75%	0.747	S	S	*	*			trans	-95.7	123	164.3	-93.5	-29.9	0	0	0	110.3	T49	D47-T49 PolarHBondContact O-N 3.42Å; D47-T49 VanDerWaalsContact O-N 3.1Å
48	T	30.4	Very low	27.7	Very low	133 Å²	133	130.6 Å²	130.6	82%	0.816	76%	0.755	S	S	*	*	S	Bend	trans	-80	85	177.8	-54	0	0	0	0	108.3
49	T	27.4	Very low	27.9	Very low	127 Å²	127	129.2 Å²	129.2	78%	0.779	75%	0.747	S	S	*	*	S	Bend	trans	169.8	107.7	147.7	27.4	0	0	0	0	108.9	D47	D47-T49 PolarHBondContact O-N 3.42Å; D47-T49 VanDerWaalsContact O-N 3.1Å
50	N	31.5	Very low	27.8	Very low	159 Å²	159	132.5 Å²	132.5	85%	0.85	76%	0.759	S	S	*	*	S	Bend	trans	32.2	88.4	164.5	-63.6	-10.3	0	0	0	118.1
51	T	23	Very low	28.1	Very low	122 Å²	122	129.8 Å²	129.8	75%	0.748	74%	0.744	S	S	*	*				167.7	110.7	127.3	-61.1	0	0	0	0	108.6	T53	T51-T53 PolarHBondContact O-N 2.86Å
52	T	23.4	Very low	28.1	Very low	142 Å²	142	132.8 Å²	132.8	87%	0.871	75%	0.748	S	S	*	*			trans	-76.5	106.7	173	-47.1	0	0	0	0	108.9
53	T	22.6	Very low	28.2	Very low	106 Å²	106	132.5 Å²	132.5	65%	0.65	73%	0.734	S	S	*	*			trans	-115.2	106.2	174.5	-28.2	0	0	0	0	108.5	T51 T55	T51-T53 PolarHBondContact O-N 2.86Å; T53-T55 PolarHBondContact O-N 3.3Å
54	T	24.3	Very low	28.2	Very low	131 Å²	131	130.6 Å²	130.6	80%	0.804	72%	0.723	S	S	*	*			trans	-83.1	102.9	174.2	-19.5	0	0	0	0	108.2
55	T	27	Very low	28.3	Very low	111 Å²	111	128.7 Å²	128.7	68%	0.681	71%	0.712	S	S	*	*			trans	-98.3	97.5	174.5	28.2	0	0	0	0	110.4	T53 H57	T53-T55 PolarHBondContact O-N 3.3Å; T55-H57 PolarHBondContact O-N 3.07Å; T55-H57 VanDerWaalsContact O-N 3.08Å
56	T	26.1	Very low	28.5	Very low	143 Å²	143	126 Å²	126	88%	0.877	70%	0.695	S	S	*	*			trans	-66.5	97.9	160.6	8.5	0	0	0	0	108.6	N58	T56-N58 PolarHBondContact O-N 3.09Å
57	H	29.7	Very low	29.1	Very low	173 Å²	173	127.2 Å²	127.2	80%	0.801	69%	0.692	S	S	*	*			trans	-79.8	113	175.1	-114.6	-50.9	0	0	0	110.3	T55	T55-H57 PolarHBondContact O-N 3.07Å; T55-H57 VanDerWaalsContact O-N 3.08Å
58	N	26.2	Very low	29.8	Very low	142 Å²	142	125.4 Å²	125.4	76%	0.759	69%	0.688	S	S	*	*			trans	-70.4	129.2	174.8	-153.7	0.9	0	0	0	109.8	T56 N60	T56-N58 PolarHBondContact O-N 3.09Å; N58-N60 PolarHBondContact O-N 2.9Å; N58-N60 VanDerWaalsContact O-N 3.1Å
59	N	30.5	Very low	30.5	Very low	89 Å²	89	122.4 Å²	122.4	48%	0.476	67%	0.666	S	S	.	*			trans	-64.7	104	-174.4	-76.5	-17.4	0	0	0	112	N61	N59-N61 PolarHBondContact O-N 3.03Å
60	N	29.4	Very low	31.5	Very low	149 Å²	149	119.2 Å²	119.2	80%	0.797	65%	0.649	S	S	*	*			trans	-85.9	105.8	169.1	-76.1	-16.4	0	0	0	109.8	N58 K62	N58-N60 PolarHBondContact O-N 2.9Å; N58-N60 VanDerWaalsContact O-N 3.1Å; N60-K62 PolarHBondContact O-N 2.86Å; N60-K62 VanDerWaalsContact O-N 3.1Å
61	N	34.9	Very low	32.5	Very low	75 Å²	75	116.4 Å²	116.4	40%	0.401	63%	0.63	S	S	.	*			trans	-53.7	114	171.1	-66.9	-14.6	0	0	0	110.1	N59	N59-N61 PolarHBondContact O-N 3.03Å
62	K	29.6	Very low	33.8	Very low	171 Å²	171	118.1 Å²	118.1	74%	0.743	63%	0.629	S	S	*	*			trans	-96.9	109.3	178.1	-160.6	175.6	-175.2	179.2	0	109.5	N60	N60-K62 PolarHBondContact O-N 2.86Å; N60-K62 VanDerWaalsContact O-N 3.1Å
63	Y	30.6	Very low	35.1	Very low	121 Å²	121	118.2 Å²	118.2	48%	0.475	62%	0.617	S	S	.	*			trans	-79.5	128.2	176.2	-58.2	-74.5	0	0	0	110.4	N34	N34-Y63 HydrophobicContact CB-CD1 3.44Å; N34-Y63 VanDerWaalsContact CB-CD1 3.44Å; N34-Y63 HydrophobicContact CB-CE1 3.57Å; N34-Y63 VanDerWaalsContact CG-CE1 3.49Å; N34-Y63 VanDerWaalsContact OD1-CD1 3.3Å; N34-Y63 WeakPolarHBondContact OD1-CD1 3.25Å
64	I	32	Very low	36.7	Very low	92 Å²	92	113.6 Å²	113.6	47%	0.472	59%	0.589	S	S	.	*			trans	-109.2	120.8	173.9	-57.8	175.5	0	0	0	108.2	I37 V66	I37-I64 HydrophobicContact CD1-CD1 4.5Å; I64-V66 HydrophobicContact CG2-CG2 4.33Å
65	N	31.3	Very low	38.2	Very low	115 Å²	115	109.7 Å²	109.7	62%	0.615	56%	0.56	S	S	*	*			trans	-83.8	115.9	176.6	-67.7	-28.3	0	0	0	109.9	T32	T32-N65 VanDerWaalsContact CG2-OD1 3.25Å; T32-N65 WeakPolarHBondContact CG2-OD1 3.39Å
66	V	36.6	Very low	39.5	Very low	61 Å²	61	108.1 Å²	108.1	37%	0.37	55%	0.548	S	S	.	.			trans	-105.8	128.8	177	-171.6	0	0	0	0	109.7	T17 I64	T17-V66 HydrophobicContact CG2-CG1 4.14Å; I64-V66 HydrophobicContact CG2-CG2 4.33Å
67	H	37.7	Very low	40.9	Very low	160 Å²	160	105.2 Å²	105.2	74%	0.741	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-78.5	144.6	175.7	-76.3	28.3	0	0	0	111	I69	H67-I69 PolarHBondContact O-N 2.97Å
68	P	41	Very low	42.3	Very low	111 Å²	111	97.7 Å²	97.7	72%	0.721	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-65.9	131.2	176	27.1	-33.3	0	0	0	111.7	L21	L21-P68 HydrophobicContact CD2-CB 3.41Å; L21-P68 VanDerWaalsContact CD2-CB 3.41Å
69	I	45.7	Very low	43.9	Very low	70 Å²	70	97.5 Å²	97.5	36%	0.359	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-88.6	141.7	165.9	-49.4	175	0	0	0	111.4	T17 L21 H67 K73	T17-I69 HydrophobicContact CG2-CD1 3.46Å; T17-I69 VanDerWaalsContact CG2-CD1 3.46Å; T17-I69 HydrophobicContact CG2-CG1 4.13Å; L21-I69 HydrophobicContact CD1-CB 3.35Å; L21-I69 HydrophobicContact CD1-CD1 4.32Å; L21-I69 HydrophobicContact CD1-CG1 3.86Å; L21-I69 VanDerWaalsContact CD1-N 3.31Å; L21-I69 WeakPolarHBondContact CD1-O 3.37Å; L21-I69 VanDerWaalsContact CD2-N 3.25Å; L21-I69 WeakPolarHBondContact CD2-O 3.26Å; H67-I69 PolarHBondContact O-N 2.97Å; I69-K73 HydrophobicContact CG2-CB 3.56Å; I69-K73 HydrophobicContact CG2-CD 4.22Å
70	S	48.6	Very low	45.1	Very low	61 Å²	61	100.9 Å²	100.9	43%	0.427	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-68.1	148.2	176.9	63.8	0	0	0	0	112.9	E72 K73 L74	S70-E72 PolarHBondContact O-N 2.9Å; S70-K73 PolarHBondContact O-N 3.47Å; S70-K73 VanDerWaalsContact O-N 3.12Å; S70-K73 WeakPolarHBondContact OG-CG 3.42Å; S70-L74 WeakPolarHBondContact O-CB 3.39Å; S70-L74 PolarHBondContact O-N 2.67Å
71	K	52	Low	46.4	Very low	100 Å²	100	94.9 Å²	94.9	44%	0.435	45%	0.453	S	S	.	.	H	α-helix	trans	-50	-41.4	177.1	-177.5	-175.2	-179.2	-179.2	0	113.5	L74 K75 M111 D112	K71-L74 WeakPolarHBondContact O-CB 3.17Å; K71-L74 PolarHBondContact O-N 3.35Å; K71-K75 WeakPolarHBondContact O-CG 3.33Å; K71-K75 PolarHBondContact O-N 3.27Å; K71-M111 WeakPolarHBondContact CE-O 3.14Å; K71-M111 PolarHBondContact NZ-O 3.08Å; K71-D112 IonicContact NZ-OD1 3.99Å
72	E	50.7	Low	47.4	Very low	158 Å²	158	96.2 Å²	96.2	74%	0.738	46%	0.46	S	S	*	.	H	α-helix	trans	-68.5	-42.5	-179.2	-171.8	-178.1	178	0	0	112.4	S70 L74 K75 N76	S70-E72 PolarHBondContact O-N 2.9Å; E72-L74 PolarHBondContact O-N 3.07Å; E72-K75 PolarHBondContact O-N 2.74Å; E72-N76 WeakPolarHBondContact O-CB 3.18Å; E72-N76 PolarHBondContact O-N 2.59Å
73	K	50.5	Low	48.6	Very low	144 Å²	144	93.5 Å²	93.5	63%	0.626	45%	0.449	S	S	*	.	H	α-helix	trans	-62.5	-37.1	174.1	-76.9	-177.8	177.7	-177.3	0	111	I69 S70 F77	I69-K73 HydrophobicContact CG2-CB 3.56Å; I69-K73 HydrophobicContact CG2-CD 4.22Å; S70-K73 PolarHBondContact O-N 3.47Å; S70-K73 VanDerWaalsContact O-N 3.12Å; S70-K73 WeakPolarHBondContact OG-CG 3.42Å; K73-F77 WeakPolarHBondContact O-CB 3.2Å; K73-F77 PolarHBondContact O-N 3.05Å
74	L	57.2	Low	49.6	Very low	9 Å²	9	90.6 Å²	90.6	5%	0.047	44%	0.442	C	S	.	.	H	α-helix	trans	-65.6	-44.4	177.5	-165.2	63.5	0	0	0	112.3	F18 L21 S70 K71 E72 F77 L78 M111	F18-L74 HydrophobicContact CD1-CD1 4.12Å; F18-L74 HydrophobicContact CD1-CD2 3.77Å; F18-L74 HydrophobicContact CD1-CG 4.18Å; F18-L74 HydrophobicContact CD2-CD1 3.45Å; F18-L74 VanDerWaalsContact CD2-CD1 3.45Å; F18-L74 HydrophobicContact CD2-CG 4.25Å; F18-L74 HydrophobicContact CE1-CD1 3.77Å; F18-L74 HydrophobicContact CE1-CD2 3.29Å; F18-L74 HydrophobicContact CE1-CG 3.46Å; F18-L74 VanDerWaalsContact CE1-CG 3.46Å; F18-L74 HydrophobicContact CE2-CD1 3.06Å; F18-L74 HydrophobicContact CE2-CD2 4.25Å; F18-L74 HydrophobicContact CE2-CG 3.57Å; F18-L74 HydrophobicContact CG-CD1 3.97Å; F18-L74 HydrophobicContact CG-CD2 4.41Å; F18-L74 HydrophobicContact CZ-CB 4.48Å; F18-L74 HydrophobicContact CZ-CD1 3.24Å; F18-L74 HydrophobicContact CZ-CD2 3.58Å; F18-L74 HydrophobicContact CZ-CG 3.11Å; L21-L74 HydrophobicContact CD1-CD1 4.49Å; S70-L74 WeakPolarHBondContact O-CB 3.39Å; S70-L74 PolarHBondContact O-N 2.67Å; K71-L74 WeakPolarHBondContact O-CB 3.17Å; K71-L74 PolarHBondContact O-N 3.35Å; E72-L74 PolarHBondContact O-N 3.07Å; L74-F77 WeakPolarHBondContact O-CB 3.43Å; L74-F77 PolarHBondContact O-N 2.88Å; L74-L78 PolarHBondContact O-N 3.04Å; L74-M111 HydrophobicContact CD2-CE 4.47Å; L74-M111 HydrophobicContact CD2-SD 4.03Å; L74-M111 HydrophobicContact CG-SD 4.45Å
75	K	54.2	Low	50.3	Low	48 Å²	48	91.2 Å²	91.2	21%	0.209	45%	0.452	C	S	.	.	H	α-helix	trans	-63.2	-47.6	173.9	-76.4	-171.3	174.1	-164.2	0	112.8	K71 E72 F77 L78 Y79 I108 M111 D112	K71-K75 WeakPolarHBondContact O-CG 3.33Å; K71-K75 PolarHBondContact O-N 3.27Å; E72-K75 PolarHBondContact O-N 2.74Å; K75-F77 PolarHBondContact O-N 3.3Å; K75-L78 PolarHBondContact O-N 3.28Å; K75-Y79 WeakPolarHBondContact O-CB 3.09Å; K75-Y79 PolarHBondContact O-N 3.07Å; K75-I108 HydrophobicContact CD-CG2 4.28Å; K75-I108 HydrophobicContact CG-CG2 4.23Å; K75-M111 HydrophobicContact CG-SD 4.3Å; K75-D112 IonicContact NZ-OD1 2.59Å; K75-D112 PolarHBondContact NZ-OD1 3.11Å; K75-D112 IonicContact NZ-OD2 2.74Å; K75-D112 PolarHBondContact NZ-OD2 3.47Å
76	N	54.1	Low	51.2	Low	78 Å²	78	89.5 Å²	89.5	42%	0.417	44%	0.439	S	S	.	.	H	α-helix	trans	-62.4	-34.9	178.4	-167.6	5.5	0	0	0	110.8	E72 R80	E72-N76 WeakPolarHBondContact O-CB 3.18Å; E72-N76 PolarHBondContact O-N 2.59Å; N76-R80 VanDerWaalsContact O-CG 3.31Å; N76-R80 WeakPolarHBondContact O-CG 3.16Å; N76-R80 PolarHBondContact O-N 3.14Å; N76-R80 VanDerWaalsContact O-N 3.07Å; N76-R80 PolarHBondContact OD1-NE 3.46Å
77	F	56.4	Low	51.8	Low	82 Å²	82	86.9 Å²	86.9	36%	0.36	42%	0.423	S	S	.	.	H	α-helix	trans	-63.9	-50.4	174.3	-176.8	-93.4	0	0	0	112.3	I14 K73 L74 K75 Y79 R80 L81	I14-F77 HydrophobicContact CB-CE1 4.18Å; I14-F77 HydrophobicContact CD1-CE1 3.69Å; I14-F77 HydrophobicContact CD1-CZ 3.33Å; I14-F77 HydrophobicContact CG1-CE1 3.63Å; I14-F77 HydrophobicContact CG1-CZ 3.5Å; I14-F77 VanDerWaalsContact CG1-CZ 3.5Å; I14-F77 HydrophobicContact CG2-CD1 4.31Å; I14-F77 HydrophobicContact CG2-CE1 3.47Å; I14-F77 VanDerWaalsContact CG2-CE1 3.47Å; I14-F77 HydrophobicContact CG2-CZ 4.26Å; K73-F77 WeakPolarHBondContact O-CB 3.2Å; K73-F77 PolarHBondContact O-N 3.05Å; L74-F77 WeakPolarHBondContact O-CB 3.43Å; L74-F77 PolarHBondContact O-N 2.88Å; K75-F77 PolarHBondContact O-N 3.3Å; F77-Y79 VanDerWaalsContact C-N 3.34Å; F77-Y79 PolarHBondContact O-N 2.87Å; F77-R80 PolarHBondContact O-N 3.31Å; F77-L81 HydrophobicContact CD1-CD1 4.06Å; F77-L81 HydrophobicContact CD1-CG 4.41Å; F77-L81 HydrophobicContact CE1-CD1 3.4Å; F77-L81 HydrophobicContact CE1-CD2 4.4Å; F77-L81 HydrophobicContact CE1-CG 3.84Å; F77-L81 HydrophobicContact CZ-CD1 4.03Å; F77-L81 HydrophobicContact CZ-CD2 4.22Å; F77-L81 HydrophobicContact CZ-CG 4.09Å; F77-L81 PolarHBondContact O-N 3Å
78	L	60.1	Low	52.3	Low	16 Å²	16	85 Å²	85	8%	0.084	42%	0.419	C	S	.	.	H	α-helix	trans	-61.1	-42.5	175.6	-71.2	-176.1	0	0	0	112.3	F18 L74 K75 R80 L81 D82 F103 I108 M111	F18-L78 HydrophobicContact CE1-CD1 4.24Å; F18-L78 HydrophobicContact CE2-CD1 4.19Å; F18-L78 HydrophobicContact CE2-CD2 3.64Å; F18-L78 HydrophobicContact CE2-CG 3.84Å; F18-L78 HydrophobicContact CZ-CD1 3.44Å; F18-L78 VanDerWaalsContact CZ-CD1 3.44Å; F18-L78 HydrophobicContact CZ-CD2 3.78Å; F18-L78 HydrophobicContact CZ-CG 3.56Å; L74-L78 PolarHBondContact O-N 3.04Å; K75-L78 PolarHBondContact O-N 3.28Å; L78-R80 VanDerWaalsContact C-N 3.26Å; L78-R80 PolarHBondContact O-N 3.14Å; L78-L81 HydrophobicContact CD2-CD1 4.32Å; L78-L81 WeakPolarHBondContact O-CB 3.34Å; L78-L81 PolarHBondContact O-N 3.29Å; L78-D82 PolarHBondContact O-N 3Å; L78-F103 HydrophobicContact CD2-CD1 4.42Å; L78-F103 HydrophobicContact CD2-CE1 4.45Å; L78-I108 HydrophobicContact CB-CD1 3.79Å; L78-I108 HydrophobicContact CB-CG1 4.1Å; L78-I108 HydrophobicContact CD1-CD1 4.29Å; L78-I108 HydrophobicContact CD1-CG1 3.66Å; L78-M111 HydrophobicContact CD1-CE 3.27Å; L78-M111 HydrophobicContact CG-CE 4.46Å
79	Y	59.7	Low	52.7	Low	138 Å²	138	87 Å²	87	54%	0.541	42%	0.418	S	S	.	.	H	α-helix	trans	-60.2	-37.2	178.7	-177.6	-105.2	0	0	0	112.6	K75 F77 Q83	K75-Y79 WeakPolarHBondContact O-CB 3.09Å; K75-Y79 PolarHBondContact O-N 3.07Å; F77-Y79 VanDerWaalsContact C-N 3.34Å; F77-Y79 PolarHBondContact O-N 2.87Å; Y79-Q83 WeakPolarHBondContact O-CG 3.45Å; Y79-Q83 PolarHBondContact OH-NE2 3.09Å
80	R	54.4	Low	52.7	Low	159 Å²	159	84.6 Å²	84.6	60%	0.6	41%	0.406	S	S	*	.	H	α-helix	trans	-74.4	-29.7	175.2	-72.6	175.7	-175.4	-157.4	-5	112.9	N76 F77 L78 Q83	N76-R80 VanDerWaalsContact O-CG 3.31Å; N76-R80 WeakPolarHBondContact O-CG 3.16Å; N76-R80 PolarHBondContact O-N 3.14Å; N76-R80 VanDerWaalsContact O-N 3.07Å; N76-R80 PolarHBondContact OD1-NE 3.46Å; F77-R80 PolarHBondContact O-N 3.31Å; L78-R80 VanDerWaalsContact C-N 3.26Å; L78-R80 PolarHBondContact O-N 3.14Å; R80-Q83 PolarHBondContact O-N 2.94Å
81	L	58.2	Low	52.7	Low	24 Å²	24	84.3 Å²	84.3	13%	0.126	40%	0.396	C	S	.	.	H	α-helix	trans	-61.3	-54.5	172	-77.2	178.7	0	0	0	109.1	I14 F77 L78 Q83 L84 I87	I14-L81 HydrophobicContact CG2-CD1 4.4Å; F77-L81 HydrophobicContact CD1-CD1 4.06Å; F77-L81 HydrophobicContact CD1-CG 4.41Å; F77-L81 HydrophobicContact CE1-CD1 3.4Å; F77-L81 HydrophobicContact CE1-CD2 4.4Å; F77-L81 HydrophobicContact CE1-CG 3.84Å; F77-L81 HydrophobicContact CZ-CD1 4.03Å; F77-L81 HydrophobicContact CZ-CD2 4.22Å; F77-L81 HydrophobicContact CZ-CG 4.09Å; F77-L81 PolarHBondContact O-N 3Å; L78-L81 HydrophobicContact CD2-CD1 4.32Å; L78-L81 WeakPolarHBondContact O-CB 3.34Å; L78-L81 PolarHBondContact O-N 3.29Å; L81-Q83 PolarHBondContact O-N 2.97Å; L81-L84 HydrophobicContact CD2-CD1 3.75Å; L81-L84 VanDerWaalsContact O-CB 3.3Å; L81-L84 WeakPolarHBondContact O-CB 3.31Å; L81-L84 WeakPolarHBondContact O-CG 3.38Å; L81-L84 PolarHBondContact O-N 3.33Å; L81-I87 HydrophobicContact CB-CD1 4.27Å; L81-I87 WeakPolarHBondContact O-CD1 3.5Å
82	D	55.6	Low	52.4	Low	103 Å²	103	87.6 Å²	87.6	55%	0.551	41%	0.412	S	S	*	.	H	α-helix	trans	-53.9	-20	-179.4	-76.8	-4.3	0	0	0	114.5	L78	L78-D82 PolarHBondContact O-N 3Å
83	Q	53.6	Low	52.4	Low	113 Å²	113	83.2 Å²	83.2	53%	0.528	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-4.1	178	-68.6	-179.4	-11.3	0	0	114.4	Y79 R80 L81	Y79-Q83 WeakPolarHBondContact O-CG 3.45Å; Y79-Q83 PolarHBondContact OH-NE2 3.09Å; R80-Q83 PolarHBondContact O-N 2.94Å; L81-Q83 PolarHBondContact O-N 2.97Å
84	L	53	Low	52.3	Low	60 Å²	60	82.3 Å²	82.3	31%	0.314	40%	0.396	S	S	.	.			trans	-76.1	124.8	-178.5	-68.9	166.8	0	0	0	109.8	L81 F86 I87	L81-L84 HydrophobicContact CD2-CD1 3.75Å; L81-L84 VanDerWaalsContact O-CB 3.3Å; L81-L84 WeakPolarHBondContact O-CB 3.31Å; L81-L84 WeakPolarHBondContact O-CG 3.38Å; L81-L84 PolarHBondContact O-N 3.33Å; L84-F86 HydrophobicContact CB-CD1 4.32Å; L84-F86 HydrophobicContact CB-CD2 4.34Å; L84-F86 HydrophobicContact CB-CE1 3.86Å; L84-F86 HydrophobicContact CB-CE2 3.88Å; L84-F86 HydrophobicContact CB-CZ 3.65Å; L84-F86 HydrophobicContact CD1-CE1 4.45Å; L84-F86 HydrophobicContact CD1-CE2 3.93Å; L84-F86 HydrophobicContact CD1-CZ 3.59Å; L84-F86 HydrophobicContact CD2-CE1 3.88Å; L84-F86 HydrophobicContact CD2-CZ 3.8Å; L84-F86 HydrophobicContact CG-CE1 4.26Å; L84-F86 HydrophobicContact CG-CE2 4.39Å; L84-F86 HydrophobicContact CG-CZ 3.87Å; L84-F86 PolarHBondContact O-N 3.38Å; L84-F86 VanDerWaalsContact O-N 3.08Å; L84-I87 HydrophobicContact CB-CD1 4.32Å; L84-I87 HydrophobicContact CB-CG1 4.03Å; L84-I87 WeakPolarHBondContact O-CB 3.14Å; L84-I87 PolarHBondContact O-N 3.35Å
85	P	46.8	Very low	51.8	Low	105 Å²	105	89 Å²	89	68%	0.682	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-19.3	-170	24.9	-34.3	0	0	0	114	I87	P85-I87 VanDerWaalsContact C-N 3.34Å
86	F	48.9	Very low	51.3	Low	80 Å²	80	87.7 Å²	87.7	35%	0.351	42%	0.421	S	S	.	.	H	α-helix	trans	-86.5	-4.6	176.6	50.5	-97.4	0	0	0	113.1	L84 D88 E89 M90	L84-F86 HydrophobicContact CB-CD1 4.32Å; L84-F86 HydrophobicContact CB-CD2 4.34Å; L84-F86 HydrophobicContact CB-CE1 3.86Å; L84-F86 HydrophobicContact CB-CE2 3.88Å; L84-F86 HydrophobicContact CB-CZ 3.65Å; L84-F86 HydrophobicContact CD1-CE1 4.45Å; L84-F86 HydrophobicContact CD1-CE2 3.93Å; L84-F86 HydrophobicContact CD1-CZ 3.59Å; L84-F86 HydrophobicContact CD2-CE1 3.88Å; L84-F86 HydrophobicContact CD2-CZ 3.8Å; L84-F86 HydrophobicContact CG-CE1 4.26Å; L84-F86 HydrophobicContact CG-CE2 4.39Å; L84-F86 HydrophobicContact CG-CZ 3.87Å; L84-F86 PolarHBondContact O-N 3.38Å; L84-F86 VanDerWaalsContact O-N 3.08Å; F86-D88 VanDerWaalsContact C-N 3.3Å; F86-E89 PolarHBondContact O-N 3.01Å; F86-M90 WeakPolarHBondContact O-CB 3.49Å; F86-M90 WeakPolarHBondContact O-CG 3.42Å; F86-M90 PolarHBondContact O-N 3.2Å
87	I	50.1	Low	50.9	Low	6 Å²	6	88.3 Å²	88.3	3%	0.031	42%	0.421	C	S	.	.	H	α-helix	trans	-63.8	-42	173.1	-75	-164.9	0	0	0	110	L81 L84 P85 E89 M90 Y91 Y100	L81-I87 HydrophobicContact CB-CD1 4.27Å; L81-I87 WeakPolarHBondContact O-CD1 3.5Å; L84-I87 HydrophobicContact CB-CD1 4.32Å; L84-I87 HydrophobicContact CB-CG1 4.03Å; L84-I87 WeakPolarHBondContact O-CB 3.14Å; L84-I87 PolarHBondContact O-N 3.35Å; P85-I87 VanDerWaalsContact C-N 3.34Å; I87-E89 VanDerWaalsContact C-N 3.34Å; I87-E89 PolarHBondContact O-N 3.19Å; I87-M90 CarbonylContact O-C 3.57Å; I87-M90 PolarHBondContact O-N 3.12Å; I87-M90 VanDerWaalsContact O-N 3.16Å; I87-Y91 HydrophobicContact CG2-CD2 3.42Å; I87-Y91 VanDerWaalsContact CG2-CD2 3.42Å; I87-Y91 HydrophobicContact CG2-CE2 3.5Å; I87-Y91 WeakPolarHBondContact O-CB 3.42Å; I87-Y91 WeakPolarHBondContact O-CD2 3.38Å; I87-Y91 PolarHBondContact O-N 3.29Å; I87-Y100 HydrophobicContact CD1-CE1 4.12Å; I87-Y100 HydrophobicContact CG2-CE1 4.41Å
88	D	48.5	Very low	50.4	Low	121 Å²	121	90.2 Å²	90.2	65%	0.647	44%	0.435	S	S	*	.	H	α-helix	trans	-61.9	-41.7	176.5	-66	-28.4	0	0	0	111.8	F86 Y91 Q92	F86-D88 VanDerWaalsContact C-N 3.3Å; D88-Y91 PolarHBondContact O-N 3.34Å; D88-Q92 WeakPolarHBondContact O-CG 3.02Å; D88-Q92 PolarHBondContact O-N 3.5Å; D88-Q92 VanDerWaalsContact O-N 3.11Å
89	E	48.1	Very low	49.8	Very low	151 Å²	151	92.2 Å²	92.2	71%	0.706	45%	0.445	S	S	*	.	H	α-helix	trans	-66	-36.6	174.7	-76.5	-175.4	166	0	0	112.6	F86 I87 Q92	F86-E89 PolarHBondContact O-N 3.01Å; I87-E89 VanDerWaalsContact C-N 3.34Å; I87-E89 PolarHBondContact O-N 3.19Å; E89-Q92 PolarHBondContact O-N 3.48Å
90	M	45.9	Very low	49	Very low	20 Å²	20	86.4 Å²	86.4	10%	0.099	42%	0.422	C	S	.	.	H	α-helix	trans	-72.2	-37.4	175.2	-74.8	-161.8	157.6	0	0	112.1	L4 I7 F86 I87 Q92 N93 Y96 Y100	L4-M90 HydrophobicContact CD1-CE 4Å; I7-M90 HydrophobicContact CG2-CE 3.69Å; I7-M90 HydrophobicContact CG2-SD 4.18Å; F86-M90 WeakPolarHBondContact O-CB 3.49Å; F86-M90 WeakPolarHBondContact O-CG 3.42Å; F86-M90 PolarHBondContact O-N 3.2Å; I87-M90 CarbonylContact O-C 3.57Å; I87-M90 PolarHBondContact O-N 3.12Å; I87-M90 VanDerWaalsContact O-N 3.16Å; M90-Q92 PolarHBondContact O-N 3.5Å; M90-N93 PolarHBondContact O-N 3.26Å; M90-Y96 WeakPolarHBondContact O-CB 3.32Å; M90-Y100 HydrophobicContact CB-CE2 4.09Å
91	Y	48.3	Very low	48.5	Very low	56 Å²	56	81.2 Å²	81.2	22%	0.22	41%	0.413	C	S	.	.	H	α-helix	trans	-62.5	-26.7	171.7	-97.7	-81.8	0	0	0	112	I87 D88 N93 Q97 Y100 D104	I87-Y91 HydrophobicContact CG2-CD2 3.42Å; I87-Y91 VanDerWaalsContact CG2-CD2 3.42Å; I87-Y91 HydrophobicContact CG2-CE2 3.5Å; I87-Y91 WeakPolarHBondContact O-CB 3.42Å; I87-Y91 WeakPolarHBondContact O-CD2 3.38Å; I87-Y91 PolarHBondContact O-N 3.29Å; D88-Y91 PolarHBondContact O-N 3.34Å; Y91-N93 PolarHBondContact O-N 3.11Å; Y91-Q97 VanDerWaalsContact O-CD 3.26Å; Y91-Q97 WeakPolarHBondContact O-CG 3.03Å; Y91-Q97 PolarHBondContact O-NE2 3.34Å; Y91-Y100 HydrophobicContact CD2-CG 4.28Å; Y91-Y100 HydrophobicContact CE1-CG 4.37Å; Y91-Y100 AromaticContact CE2-CD1 3.74Å; Y91-Y100 HydrophobicContact CE2-CD1 3.74Å; Y91-Y100 HydrophobicContact CE2-CD2 4.45Å; Y91-Y100 HydrophobicContact CE2-CE1 4.37Å; Y91-Y100 AromaticContact CE2-CG 3.79Å; Y91-Y100 HydrophobicContact CE2-CG 3.79Å; Y91-Y100 VanDerWaalsContact CZ-CB 3.45Å; Y91-Y100 AromaticContact CZ-CD1 3.99Å; Y91-Y100 AromaticContact CZ-CG 3.86Å; Y91-D104 PolarHBondContact OH-OD1 3.48Å; Y91-D104 PolarHBondContact OH-OD2 3.16Å
92	Q	47	Very low	47.8	Very low	168 Å²	168	82.6 Å²	82.6	79%	0.785	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-10.7	174.9	-63.4	-118.6	-15.3	0	0	113.1	D88 E89 M90	D88-Q92 WeakPolarHBondContact O-CG 3.02Å; D88-Q92 PolarHBondContact O-N 3.5Å; D88-Q92 VanDerWaalsContact O-N 3.11Å; E89-Q92 PolarHBondContact O-N 3.48Å; M90-Q92 PolarHBondContact O-N 3.5Å
93	N	49.2	Very low	47.2	Very low	66 Å²	66	79.1 Å²	79.1	35%	0.353	41%	0.405	S	S	.	.	S	Bend	trans	-98.7	114.4	179.1	-176.8	-28	0	0	0	109.7	M90 Y91 E95 Y96 Q97	M90-N93 PolarHBondContact O-N 3.26Å; Y91-N93 PolarHBondContact O-N 3.11Å; N93-E95 PolarHBondContact O-N 2.95Å; N93-E95 PolarHBondContact OD1-N 3.32Å; N93-Y96 HydrophobicContact CB-CD2 3.79Å; N93-Y96 HydrophobicContact CB-CE2 4.41Å; N93-Y96 PolarHBondContact O-N 3.39Å; N93-Q97 PolarHBondContact O-N 2.94Å; N93-Q97 VanDerWaalsContact O-N 3.12Å
94	D	49.1	Very low	46.5	Very low	125 Å²	125	78 Å²	78	67%	0.668	40%	0.403	S	S	*	.	H	α-helix	trans	-51.5	-30.1	-175.4	-66.2	-27.9	0	0	0	113.6	Y96	D94-Y96 VanDerWaalsContact C-N 3.34Å; D94-Y96 PolarHBondContact O-N 3.32Å
95	E	45.9	Very low	45.8	Very low	149 Å²	149	81 Å²	81	70%	0.696	42%	0.419	S	S	*	.	H	α-helix	trans	-67.4	-33.8	177.6	-67.3	-171.7	161.7	0	0	112.6	N93	N93-E95 PolarHBondContact O-N 2.95Å; N93-E95 PolarHBondContact OD1-N 3.32Å
96	Y	45.6	Very low	45.5	Very low	21 Å²	21	77.5 Å²	77.5	8%	0.082	39%	0.393	C	S	.	.	H	α-helix	trans	-95.6	-20.7	-177	-57.9	-80.9	0	0	0	112.8	L4 I8 M90 N93 D94 N98 M99 Y100	L4-Y96 WeakPolarHBondContact CD1-OH 3.05Å; I8-Y96 HydrophobicContact CD1-CE1 4.2Å; I8-Y96 HydrophobicContact CG1-CE1 3.95Å; M90-Y96 WeakPolarHBondContact O-CB 3.32Å; N93-Y96 HydrophobicContact CB-CD2 3.79Å; N93-Y96 HydrophobicContact CB-CE2 4.41Å; N93-Y96 PolarHBondContact O-N 3.39Å; D94-Y96 VanDerWaalsContact C-N 3.34Å; D94-Y96 PolarHBondContact O-N 3.32Å; Y96-N98 VanDerWaalsContact C-N 3.26Å; Y96-N98 PolarHBondContact O-N 3Å; Y96-M99 WeakPolarHBondContact O-CB 3.36Å; Y96-M99 PolarHBondContact O-N 3.19Å; Y96-Y100 WeakPolarHBondContact O-CD2 3.1Å; Y96-Y100 PolarHBondContact O-N 2.91Å; Y96-Y100 VanDerWaalsContact O-N 3.07Å
97	Q	45	Very low	45	Very low	91 Å²	91	75.3 Å²	75.3	43%	0.425	39%	0.388	S	S	.	.	H	α-helix	trans	-54.6	-40.5	174.6	-82.9	-147	-0.1	0	0	113	Y91 N93 M99 Y100 A101	Y91-Q97 VanDerWaalsContact O-CD 3.26Å; Y91-Q97 WeakPolarHBondContact O-CG 3.03Å; Y91-Q97 PolarHBondContact O-NE2 3.34Å; N93-Q97 PolarHBondContact O-N 2.94Å; N93-Q97 VanDerWaalsContact O-N 3.12Å; Q97-M99 VanDerWaalsContact C-N 3.28Å; Q97-M99 PolarHBondContact O-N 3.35Å; Q97-Y100 PolarHBondContact O-N 2.62Å; Q97-A101 VanDerWaalsContact O-CB 3.26Å; Q97-A101 WeakPolarHBondContact O-CB 3.1Å; Q97-A101 PolarHBondContact O-N 3.2Å
98	N	46.7	Very low	44.5	Very low	122 Å²	122	77.3 Å²	77.3	65%	0.652	40%	0.398	S	S	*	.	H	α-helix	trans	-65.8	-33.1	179.3	-71.5	-46.3	0	0	0	112.7	Y96 S102	Y96-N98 VanDerWaalsContact C-N 3.26Å; Y96-N98 PolarHBondContact O-N 3Å; N98-S102 PolarHBondContact O-N 3.09Å; N98-S102 PolarHBondContact O-OG 3.12Å
99	M	46.9	Very low	43.9	Very low	59 Å²	59	77.9 Å²	77.9	29%	0.291	40%	0.4	S	S	.	.	H	α-helix	trans	-69	-45.1	176.8	-164.4	175.6	-67.7	0	0	109.9	N11 Y96 Q97 S102 F103	N11-M99 HydrophobicContact CB-SD 4.13Å; Y96-M99 WeakPolarHBondContact O-CB 3.36Å; Y96-M99 PolarHBondContact O-N 3.19Å; Q97-M99 VanDerWaalsContact C-N 3.28Å; Q97-M99 PolarHBondContact O-N 3.35Å; M99-S102 WeakPolarHBondContact O-CB 3.04Å; M99-S102 PolarHBondContact O-N 3.37Å; M99-F103 HydrophobicContact CG-CE2 4.32Å; M99-F103 WeakPolarHBondContact O-CD2 3Å
100	Y	43.2	Very low	43.4	Very low	16 Å²	16	75.1 Å²	75.1	6%	0.063	38%	0.383	C	S	.	.	H	α-helix	trans	-75.3	-35.5	179.9	-79.9	-74.8	0	0	0	114.9	I87 M90 Y91 Y96 Q97 S102 F103 D104	I87-Y100 HydrophobicContact CD1-CE1 4.12Å; I87-Y100 HydrophobicContact CG2-CE1 4.41Å; M90-Y100 HydrophobicContact CB-CE2 4.09Å; Y91-Y100 HydrophobicContact CD2-CG 4.28Å; Y91-Y100 HydrophobicContact CE1-CG 4.37Å; Y91-Y100 AromaticContact CE2-CD1 3.74Å; Y91-Y100 HydrophobicContact CE2-CD1 3.74Å; Y91-Y100 HydrophobicContact CE2-CD2 4.45Å; Y91-Y100 HydrophobicContact CE2-CE1 4.37Å; Y91-Y100 AromaticContact CE2-CG 3.79Å; Y91-Y100 HydrophobicContact CE2-CG 3.79Å; Y91-Y100 VanDerWaalsContact CZ-CB 3.45Å; Y91-Y100 AromaticContact CZ-CD1 3.99Å; Y91-Y100 AromaticContact CZ-CG 3.86Å; Y96-Y100 WeakPolarHBondContact O-CD2 3.1Å; Y96-Y100 PolarHBondContact O-N 2.91Å; Y96-Y100 VanDerWaalsContact O-N 3.07Å; Q97-Y100 PolarHBondContact O-N 2.62Å; Y100-S102 PolarHBondContact O-N 3.47Å; Y100-S102 VanDerWaalsContact O-N 3.14Å; Y100-F103 HydrophobicContact CD1-CD2 4.42Å; Y100-F103 CarbonylContact O-C 3.52Å; Y100-F103 VanDerWaalsContact O-CA 3.3Å; Y100-F103 WeakPolarHBondContact O-CA 3.06Å; Y100-F103 VanDerWaalsContact O-CB 3.28Å; Y100-F103 WeakPolarHBondContact O-CB 3.03Å; Y100-F103 PolarHBondContact O-N 3.1Å; Y100-D104 PolarHBondContact O-N 3Å
101	A	42.3	Very low	43.2	Very low	49 Å²	49	74.2 Å²	74.2	41%	0.405	38%	0.379	S	S	.	.	H	α-helix	trans	-59.1	-28.1	171.9	0	0	0	0	0	112.2	Q97 N105	Q97-A101 VanDerWaalsContact O-CB 3.26Å; Q97-A101 WeakPolarHBondContact O-CB 3.1Å; Q97-A101 PolarHBondContact O-N 3.2Å; A101-N105 PolarHBondContact O-N 3.28Å
102	S	43.5	Very low	42.7	Very low	54 Å²	54	76.5 Å²	76.5	38%	0.378	40%	0.395	S	S	.	.	H	α-helix	trans	-71.6	-29.9	171.5	-56	0	0	0	0	112.4	N98 M99 Y100	N98-S102 PolarHBondContact O-N 3.09Å; N98-S102 PolarHBondContact O-OG 3.12Å; M99-S102 WeakPolarHBondContact O-CB 3.04Å; M99-S102 PolarHBondContact O-N 3.37Å; Y100-S102 PolarHBondContact O-N 3.47Å; Y100-S102 VanDerWaalsContact O-N 3.14Å
103	F	43.2	Very low	42.5	Very low	29 Å²	29	72.1 Å²	72.1	13%	0.127	38%	0.377	C	S	.	.	H	α-helix	trans	-77	-39.4	173.2	-78.7	-81.6	0	0	0	112.9	M15 L78 M99 Y100 N105 F106 S107	M15-F103 HydrophobicContact CE-CE1 4.34Å; M15-F103 HydrophobicContact CE-CZ 4.2Å; M15-F103 HydrophobicContact CG-CE1 4.19Å; M15-F103 HydrophobicContact CG-CE2 3.91Å; M15-F103 HydrophobicContact CG-CZ 3.38Å; M15-F103 HydrophobicContact SD-CE2 3.97Å; M15-F103 HydrophobicContact SD-CZ 3.93Å; L78-F103 HydrophobicContact CD2-CD1 4.42Å; L78-F103 HydrophobicContact CD2-CE1 4.45Å; M99-F103 HydrophobicContact CG-CE2 4.32Å; M99-F103 WeakPolarHBondContact O-CD2 3Å; Y100-F103 HydrophobicContact CD1-CD2 4.42Å; Y100-F103 CarbonylContact O-C 3.52Å; Y100-F103 VanDerWaalsContact O-CA 3.3Å; Y100-F103 WeakPolarHBondContact O-CA 3.06Å; Y100-F103 VanDerWaalsContact O-CB 3.28Å; Y100-F103 WeakPolarHBondContact O-CB 3.03Å; Y100-F103 PolarHBondContact O-N 3.1Å; F103-N105 VanDerWaalsContact C-N 3.32Å; F103-N105 PolarHBondContact O-N 3.46Å; F103-F106 CarbonylContact O-C 3.17Å; F103-F106 WeakPolarHBondContact O-CA 3.32Å; F103-F106 VanDerWaalsContact O-CB 3.32Å; F103-F106 WeakPolarHBondContact O-CB 3.29Å; F103-F106 PolarHBondContact O-N 3.02Å; F103-S107 PolarHBondContact O-N 2.7Å
104	D	39.7	Very low	42	Very low	90 Å²	90	75.9 Å²	75.9	48%	0.481	39%	0.392	S	S	.	.	H	α-helix	trans	-62.9	-37.6	178.7	-83.9	-13.4	0	0	0	112.4	Y91 Y100 F106 S107	Y91-D104 PolarHBondContact OH-OD1 3.48Å; Y91-D104 PolarHBondContact OH-OD2 3.16Å; Y100-D104 PolarHBondContact O-N 3Å; D104-F106 PolarHBondContact O-N 3.17Å; D104-S107 WeakPolarHBondContact O-CB 3.48Å; D104-S107 PolarHBondContact O-N 3.13Å; D104-S107 PolarHBondContact O-OG 2.98Å
105	N	38.8	Very low	41.5	Very low	123 Å²	123	78.1 Å²	78.1	66%	0.658	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-22.6	170.3	-86	-28.6	0	0	0	113	A101 F103 S107	A101-N105 PolarHBondContact O-N 3.28Å; F103-N105 VanDerWaalsContact C-N 3.32Å; F103-N105 PolarHBondContact O-N 3.46Å; N105-S107 VanDerWaalsContact C-N 3.29Å
106	F	40.8	Very low	41	Very low	32 Å²	32	73.6 Å²	73.6	14%	0.14	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	10.5	171.9	-142.2	-92.7	0	0	0	112.8	F18 C22 F103 D104 I108 M111 F117 I123	F18-F106 HydrophobicContact CD1-CD1 4.21Å; F18-F106 AromaticContact CD1-CE1 3.77Å; F18-F106 HydrophobicContact CD1-CE1 3.77Å; F18-F106 HydrophobicContact CE1-CD1 4.08Å; F18-F106 AromaticContact CE1-CE1 3.84Å; F18-F106 HydrophobicContact CE1-CE1 3.84Å; C22-F106 HydrophobicContact CB-CZ 4.34Å; C22-F106 VanDerWaalsContact SG-CZ 3.52Å; F103-F106 CarbonylContact O-C 3.17Å; F103-F106 WeakPolarHBondContact O-CA 3.32Å; F103-F106 VanDerWaalsContact O-CB 3.32Å; F103-F106 WeakPolarHBondContact O-CB 3.29Å; F103-F106 PolarHBondContact O-N 3.02Å; D104-F106 PolarHBondContact O-N 3.17Å; F106-I108 PolarHBondContact O-N 3.44Å; F106-M111 HydrophobicContact CD1-CE 4.43Å; F106-M111 HydrophobicContact CE1-CE 4.5Å; F106-F117 HydrophobicContact CE1-CD2 4.34Å; F106-F117 HydrophobicContact CE1-CE2 4.02Å; F106-F117 HydrophobicContact CZ-CD2 4.26Å; F106-F117 HydrophobicContact CZ-CE2 4.11Å; F106-I123 HydrophobicContact CD2-CD1 4.32Å
107	S	36.8	Very low	40.5	Very low	34 Å²	34	74.2 Å²	74.2	24%	0.238	38%	0.38	C	S	.	.			trans	-39.8	140.5	-175.4	44.8	0	0	0	0	112.2	F103 D104 N105 I109 Y110	F103-S107 PolarHBondContact O-N 2.7Å; D104-S107 WeakPolarHBondContact O-CB 3.48Å; D104-S107 PolarHBondContact O-N 3.13Å; D104-S107 PolarHBondContact O-OG 2.98Å; N105-S107 VanDerWaalsContact C-N 3.29Å; S107-I109 PolarHBondContact O-N 3.11Å; S107-Y110 PolarHBondContact O-N 3.45Å; S107-Y110 WeakPolarHBondContact OG-CD2 3.35Å
108	I	40.4	Very low	40	Very low	47 Å²	47	72.3 Å²	72.3	24%	0.241	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	-27.7	-177.5	-64.9	168.7	0	0	0	112.7	K75 L78 F106 Y110 M111	K75-I108 HydrophobicContact CD-CG2 4.28Å; K75-I108 HydrophobicContact CG-CG2 4.23Å; L78-I108 HydrophobicContact CB-CD1 3.79Å; L78-I108 HydrophobicContact CB-CG1 4.1Å; L78-I108 HydrophobicContact CD1-CD1 4.29Å; L78-I108 HydrophobicContact CD1-CG1 3.66Å; F106-I108 PolarHBondContact O-N 3.44Å; I108-Y110 PolarHBondContact O-N 3.3Å; I108-M111 WeakPolarHBondContact O-CB 3.28Å; I108-M111 PolarHBondContact O-N 3.3Å
109	I	36.3	Very low	39.3	Very low	134 Å²	134	74.1 Å²	74.1	69%	0.687	37%	0.374	S	S	*	.	H	α-helix	trans	-52.9	-38.7	173.6	-51.2	176.9	0	0	0	111.8	S107	S107-I109 PolarHBondContact O-N 3.11Å
110	Y	36.7	Very low	38.6	Very low	92 Å²	92	74.1 Å²	74.1	36%	0.361	38%	0.376	S	S	.	.	H	α-helix	trans	-77.7	-19.4	178.3	-69.2	-70.3	0	0	0	114	S107 I108 D112 N113 N116	S107-Y110 PolarHBondContact O-N 3.45Å; S107-Y110 WeakPolarHBondContact OG-CD2 3.35Å; I108-Y110 PolarHBondContact O-N 3.3Å; Y110-D112 VanDerWaalsContact C-N 3.32Å; Y110-N113 VanDerWaalsContact O-O 3.13Å; Y110-N116 HydrophobicContact CD1-CB 3.75Å; Y110-N116 HydrophobicContact CE1-CB 4.48Å
111	M	41.5	Very low	38.3	Very low	2 Å²	2	76.4 Å²	76.4	1%	0.01	39%	0.387	C	S	.	.	H	α-helix	trans	-72.1	-28.3	175.1	-69.6	-157.9	-133.7	0	0	112.2	F18 K71 L74 K75 L78 F106 I108 N113 F117	F18-M111 HydrophobicContact CE1-CE 3.32Å; F18-M111 HydrophobicContact CE1-SD 4.17Å; F18-M111 HydrophobicContact CZ-CE 3.53Å; K71-M111 WeakPolarHBondContact CE-O 3.14Å; K71-M111 PolarHBondContact NZ-O 3.08Å; L74-M111 HydrophobicContact CD2-CE 4.47Å; L74-M111 HydrophobicContact CD2-SD 4.03Å; L74-M111 HydrophobicContact CG-SD 4.45Å; K75-M111 HydrophobicContact CG-SD 4.3Å; L78-M111 HydrophobicContact CD1-CE 3.27Å; L78-M111 HydrophobicContact CG-CE 4.46Å; F106-M111 HydrophobicContact CD1-CE 4.43Å; F106-M111 HydrophobicContact CE1-CE 4.5Å; I108-M111 WeakPolarHBondContact O-CB 3.28Å; I108-M111 PolarHBondContact O-N 3.3Å; M111-N113 VanDerWaalsContact C-N 3.32Å; M111-F117 HydrophobicContact CG-CD2 4.01Å; M111-F117 HydrophobicContact CG-CE2 3.96Å; M111-F117 HydrophobicContact SD-CE2 4.28Å
112	D	38.5	Very low	37.8	Very low	103 Å²	103	78.7 Å²	78.7	55%	0.551	40%	0.4	S	S	*	.	H	α-helix	trans	-71.3	-29.2	178.1	-81.4	-43.7	0	0	0	113.6	K71 K75 Y110 E114	K71-D112 IonicContact NZ-OD1 3.99Å; K75-D112 IonicContact NZ-OD1 2.59Å; K75-D112 PolarHBondContact NZ-OD1 3.11Å; K75-D112 IonicContact NZ-OD2 2.74Å; K75-D112 PolarHBondContact NZ-OD2 3.47Å; Y110-D112 VanDerWaalsContact C-N 3.32Å; D112-E114 PolarHBondContact O-N 3.24Å
113	N	43.4	Very low	37.3	Very low	77 Å²	77	80.1 Å²	80.1	41%	0.412	40%	0.402	S	S	.	.	S	Bend	trans	-96.3	94.6	174.7	-167.5	-20.6	0	0	0	110.5	Y110 M111 K115 N116 F117	Y110-N113 VanDerWaalsContact O-O 3.13Å; M111-N113 VanDerWaalsContact C-N 3.32Å; N113-K115 PolarHBondContact O-N 3.12Å; N113-K115 VanDerWaalsContact O-N 3.09Å; N113-K115 PolarHBondContact OD1-N 3.16Å; N113-N116 HydrophobicContact CB-CB 4.24Å; N113-N116 PolarHBondContact ND2-ND2 3.17Å; N113-N116 PolarHBondContact O-N 3.44Å; N113-F117 PolarHBondContact O-N 2.72Å; N113-F117 VanDerWaalsContact O-N 3.14Å
114	E	38.9	Very low	36.6	Very low	144 Å²	144	84.6 Å²	84.6	67%	0.673	43%	0.432	S	S	*	.	H	α-helix	trans	-48.5	-40.8	-179.3	-167.8	178.7	-175.2	0	0	111.8	D112 N116 F117 I118	D112-E114 PolarHBondContact O-N 3.24Å; E114-N116 VanDerWaalsContact C-N 3.32Å; E114-N116 PolarHBondContact O-N 3.41Å; E114-F117 WeakPolarHBondContact O-CB 3.4Å; E114-F117 PolarHBondContact O-N 3.32Å; E114-I118 HydrophobicContact CG-CD1 4.48Å; E114-I118 VanDerWaalsContact O-CG1 3.26Å; E114-I118 WeakPolarHBondContact O-CG1 3.47Å; E114-I118 PolarHBondContact O-N 3.11Å; E114-I118 VanDerWaalsContact O-N 3.14Å
115	K	37.4	Very low	36.2	Very low	172 Å²	172	87.7 Å²	87.7	75%	0.748	44%	0.438	S	S	*	.	H	α-helix	trans	-61.8	-34.2	177.6	-80.8	-178	175.9	176.8	0	114.1	N113 K119	N113-K115 PolarHBondContact O-N 3.12Å; N113-K115 VanDerWaalsContact O-N 3.09Å; N113-K115 PolarHBondContact OD1-N 3.16Å; K115-K119 PolarHBondContact O-N 3.37Å
116	N	36	Very low	35.7	Very low	55 Å²	55	91 Å²	91	29%	0.294	45%	0.447	S	S	.	.	H	α-helix	trans	-80.9	-33.5	-179.9	-70.1	-14.6	0	0	0	112	Y110 N113 E114 I118 K119 N120	Y110-N116 HydrophobicContact CD1-CB 3.75Å; Y110-N116 HydrophobicContact CE1-CB 4.48Å; N113-N116 HydrophobicContact CB-CB 4.24Å; N113-N116 PolarHBondContact ND2-ND2 3.17Å; N113-N116 PolarHBondContact O-N 3.44Å; E114-N116 VanDerWaalsContact C-N 3.32Å; E114-N116 PolarHBondContact O-N 3.41Å; N116-I118 VanDerWaalsContact C-N 3.28Å; N116-I118 PolarHBondContact O-N 3.43Å; N116-K119 PolarHBondContact O-N 3.46Å; N116-K119 VanDerWaalsContact O-N 3.12Å; N116-N120 PolarHBondContact O-N 3.4Å
117	F	34.9	Very low	35.4	Very low	34 Å²	34	94.7 Å²	94.7	15%	0.149	48%	0.477	C	S	.	.	H	α-helix	trans	-61.4	-35.9	172.5	-175.7	-107.3	0	0	0	112.9	C22 F106 M111 N113 E114 Q121	C22-F117 HydrophobicContact CB-CD1 4.32Å; C22-F117 HydrophobicContact CB-CD2 4.45Å; C22-F117 HydrophobicContact CB-CE1 3.61Å; C22-F117 HydrophobicContact CB-CE2 3.75Å; C22-F117 HydrophobicContact CB-CZ 3.31Å; C22-F117 WeakPolarHBondContact O-CE1 3.08Å; C22-F117 WeakPolarHBondContact SG-CE2 3.42Å; C22-F117 WeakPolarHBondContact SG-CZ 3.41Å; F106-F117 HydrophobicContact CE1-CD2 4.34Å; F106-F117 HydrophobicContact CE1-CE2 4.02Å; F106-F117 HydrophobicContact CZ-CD2 4.26Å; F106-F117 HydrophobicContact CZ-CE2 4.11Å; M111-F117 HydrophobicContact CG-CD2 4.01Å; M111-F117 HydrophobicContact CG-CE2 3.96Å; M111-F117 HydrophobicContact SD-CE2 4.28Å; N113-F117 PolarHBondContact O-N 2.72Å; N113-F117 VanDerWaalsContact O-N 3.14Å; E114-F117 WeakPolarHBondContact O-CB 3.4Å; E114-F117 PolarHBondContact O-N 3.32Å; F117-Q121 PolarHBondContact O-NE2 3.07Å
118	I	34	Very low	34.8	Very low	51 Å²	51	98.8 Å²	98.8	26%	0.262	50%	0.5	S	S	.	.	H	α-helix	trans	-68	-40.2	172	-59.5	-175.1	0	0	0	111.5	P24 E114 N116	P24-I118 HydrophobicContact CB-CB 4.41Å; P24-I118 HydrophobicContact CB-CD1 3.42Å; P24-I118 VanDerWaalsContact CB-CD1 3.42Å; P24-I118 HydrophobicContact CB-CG1 3.45Å; P24-I118 VanDerWaalsContact CB-CG1 3.45Å; P24-I118 HydrophobicContact CB-CG2 4.39Å; P24-I118 HydrophobicContact CG-CB 3.84Å; P24-I118 HydrophobicContact CG-CD1 3.78Å; P24-I118 HydrophobicContact CG-CG1 3.42Å; P24-I118 VanDerWaalsContact CG-CG1 3.42Å; P24-I118 HydrophobicContact CG-CG2 3.51Å; E114-I118 HydrophobicContact CG-CD1 4.48Å; E114-I118 VanDerWaalsContact O-CG1 3.26Å; E114-I118 WeakPolarHBondContact O-CG1 3.47Å; E114-I118 PolarHBondContact O-N 3.11Å; E114-I118 VanDerWaalsContact O-N 3.14Å; N116-I118 VanDerWaalsContact C-N 3.28Å; N116-I118 PolarHBondContact O-N 3.43Å
119	K	31.8	Very low	34.2	Very low	159 Å²	159	103 Å²	103	69%	0.691	53%	0.529	S	S	*	.	H	α-helix	trans	-72.8	-30.3	-175.3	-139.1	177.5	-177.2	-173.7	0	113.5	K115 N116	K115-K119 PolarHBondContact O-N 3.37Å; N116-K119 PolarHBondContact O-N 3.46Å; N116-K119 VanDerWaalsContact O-N 3.12Å
120	N	33.3	Very low	33.9	Very low	60 Å²	60	100.1 Å²	100.1	32%	0.321	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	8.3	-178.1	-76	-5.5	0	0	0	114.5	N116	N116-N120 PolarHBondContact O-N 3.4Å
121	Q	37	Very low	33.5	Very low	64 Å²	64	105.3 Å²	105.3	30%	0.299	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.5	-25.2	176.1	-95.4	162.6	66.5	0	0	115.2	C22 P24 F117 I123	C22-Q121 HydrophobicContact CB-CG 3.87Å; C22-Q121 PolarHBondContact O-NE2 2.78Å; C22-Q121 PolarHBondContact O-OE1 2.84Å; P24-Q121 VanDerWaalsContact CD-CD 3.44Å; F117-Q121 PolarHBondContact O-NE2 3.07Å; Q121-I123 PolarHBondContact O-N 3.48Å
122	S	31.5	Very low	33.1	Very low	97 Å²	97	111.2 Å²	111.2	68%	0.678	59%	0.587	S	S	*	*			trans	-83.4	62.5	175.5	57.6	0	0	0	0	109.9	T124	S122-T124 VanDerWaalsContact C-N 3.34Å; S122-T124 PolarHBondContact O-N 3.48Å; S122-T124 VanDerWaalsContact O-N 3.09Å
123	I	32.5	Very low	32.6	Very low	84 Å²	84	108.3 Å²	108.3	43%	0.431	57%	0.574	S	S	.	*			trans	-74.1	98.7	161.6	-59.9	177.3	0	0	0	105.6	F106 Q121 Y125	F106-I123 HydrophobicContact CD2-CD1 4.32Å; Q121-I123 PolarHBondContact O-N 3.48Å; I123-Y125 PolarHBondContact O-N 3.45Å
124	T	28.2	Very low	31.8	Very low	123 Å²	123	109.1 Å²	109.1	76%	0.755	59%	0.586	S	S	*	*			trans	-69.5	99.1	167.2	-46.6	0	0	0	0	106.9	S122 K126	S122-T124 VanDerWaalsContact C-N 3.34Å; S122-T124 PolarHBondContact O-N 3.48Å; S122-T124 VanDerWaalsContact O-N 3.09Å; T124-K126 PolarHBondContact O-N 3.1Å
125	Y	32.7	Very low	31.3	Very low	155 Å²	155	103.1 Å²	103.1	61%	0.608	56%	0.559	S	S	*	*			trans	-58.7	104.5	167	-72.4	-84.7	0	0	0	107.3	I123 S127	I123-Y125 PolarHBondContact O-N 3.45Å; Y125-S127 PolarHBondContact O-N 3.37Å
126	K	27.5	Very low	31	Very low	193 Å²	193	100.7 Å²	100.7	84%	0.839	55%	0.549	S	S	*	.			trans	-66.1	93.7	159.3	-84.8	-174.9	176	179.2	0	105.5	T124 T128	T124-K126 PolarHBondContact O-N 3.1Å; K126-T128 PolarHBondContact O-N 3.41Å
127	S	33.4	Very low	30.5	Very low	109 Å²	109	104.3 Å²	104.3	76%	0.762	57%	0.573	S	S	*	*			trans	-47.3	108.2	174.3	157.9	0	0	0	0	109.9	Y125	Y125-S127 PolarHBondContact O-N 3.37Å
128	T	25.8	Very low	30	Very low	119 Å²	119	112.2 Å²	112.2	73%	0.73	61%	0.608	S	S	*	*			trans	-123	86.1	154.5	46.7	0	0	0	0	107	K126 G130	K126-T128 PolarHBondContact O-N 3.41Å; T128-G130 VanDerWaalsContact C-N 3.31Å; T128-G130 PolarHBondContact O-N 3.36Å
129	T	26.7	Very low	29.7	Very low	137 Å²	137	123.2 Å²	123.2	84%	0.84	65%	0.653	S	S	*	*			trans	54.6	24.2	149.3	50.1	0	0	0	0	119.5	K131	T129-K131 PolarHBondContact O-N 3.1Å; T129-K131 VanDerWaalsContact O-N 3.07Å
130	G	29.9	Very low	29.6	Very low	72 Å²	72	121.4 Å²	121.4	74%	0.742	65%	0.651	S	S	*	*			trans	-75.3	92.7	171	0	0	0	0	0	112.1	T128 L132	T128-G130 VanDerWaalsContact C-N 3.31Å; T128-G130 PolarHBondContact O-N 3.36Å; G130-L132 PolarHBondContact O-N 3.37Å
131	K	27.7	Very low	29.5	Very low	201 Å²	201	124.6 Å²	124.6	87%	0.874	67%	0.669	S	S	*	*			trans	-63.9	115.6	161.4	-83.9	-179.5	175.9	179.1	0	107.9	T129 C133	T129-K131 PolarHBondContact O-N 3.1Å; T129-K131 VanDerWaalsContact O-N 3.07Å; K131-C133 PolarHBondContact O-N 3.08Å
132	L	33.4	Very low	29	Very low	127 Å²	127	128 Å²	128	67%	0.665	69%	0.689	S	S	*	*			trans	-59.8	127.9	169.3	-75.9	159.1	0	0	0	108.9	I12 G130	I12-L132 HydrophobicContact CB-CD2 4.16Å; I12-L132 HydrophobicContact CD1-CD2 3.5Å; I12-L132 VanDerWaalsContact CD1-CD2 3.5Å; I12-L132 HydrophobicContact CG1-CD2 3.61Å; I12-L132 HydrophobicContact CG2-CD2 3.47Å; I12-L132 VanDerWaalsContact CG2-CD2 3.47Å; G130-L132 PolarHBondContact O-N 3.37Å
133	C	28.1	Very low	28.9	Very low	42 Å²	42	129.8 Å²	129.8	28%	0.284	69%	0.69	S	S	.	*			trans	-65.6	138.1	-165.2	-148.4	0	0	0	0	112.9	F5 I8 K131 C135	F5-C133 WeakPolarHBondContact CE2-SG 3.42Å; I8-C133 HydrophobicContact CG2-CB 4.12Å; K131-C133 PolarHBondContact O-N 3.08Å; C133-C135 VanDerWaalsContact CB-SG 3.56Å; C133-C135 PolarHBondContact O-N 3.4Å; C133-C135 VanDerWaalsContact O-N 3.12Å; C133-C135 PolarHBondContact SG-SG 3.23Å
134	S	26.9	Very low	28.7	Very low	94 Å²	94	132.7 Å²	132.7	66%	0.657	71%	0.706	S	S	*	*	S	Bend	trans	-71.9	5.1	-177.3	46.3	0	0	0	0	115.3	F136	S134-F136 PolarHBondContact O-N 3.1Å
135	C	28.9	Very low	28.7	Very low	17 Å²	17	133.3 Å²	133.3	12%	0.115	70%	0.703	C	S	.	*	T	Hydrogen-bonded Turn	trans	24.3	-59.2	132.6	50.6	0	0	0	0	121.2	F5 N9 C133	F5-C135 HydrophobicContact CB-CB 4.44Å; F5-C135 HydrophobicContact CD1-CB 3.07Å; F5-C135 WeakPolarHBondContact CD1-SG 3.22Å; F5-C135 HydrophobicContact CD2-CB 4.18Å; F5-C135 WeakPolarHBondContact CD2-SG 3.16Å; F5-C135 HydrophobicContact CE1-CB 3.04Å; F5-C135 VanDerWaalsContact CE1-N 3.27Å; F5-C135 WeakPolarHBondContact CE1-SG 3.25Å; F5-C135 HydrophobicContact CE2-CB 4.19Å; F5-C135 WeakPolarHBondContact CE2-SG 3.38Å; F5-C135 HydrophobicContact CG-CB 3.62Å; F5-C135 WeakPolarHBondContact CG-SG 3.24Å; F5-C135 HydrophobicContact CZ-CB 3.62Å; F5-C135 WeakPolarHBondContact CZ-SG 3.3Å; F5-C135 PolarHBondContact O-SG 3.47Å; N9-C135 HydrophobicContact CB-CB 4.36Å; N9-C135 VanDerWaalsContact CG-SG 3.54Å; N9-C135 WeakPolarHBondContact ND2-CA 3.33Å; N9-C135 WeakPolarHBondContact ND2-CB 3.4Å; N9-C135 PolarHBondContact ND2-O 3.17Å; N9-C135 VanDerWaalsContact ND2-O 3.16Å; N9-C135 WeakPolarHBondContact OD1-CA 3.43Å; N9-C135 WeakPolarHBondContact OD1-CB 2.85Å; N9-C135 PolarHBondContact OD1-SG 3.42Å; C133-C135 VanDerWaalsContact CB-SG 3.56Å; C133-C135 PolarHBondContact O-N 3.4Å; C133-C135 VanDerWaalsContact O-N 3.12Å; C133-C135 PolarHBondContact SG-SG 3.23Å
136	F	30.4	Very low	28.4	Very low	122 Å²	122	131.8 Å²	131.8	54%	0.535	71%	0.71	S	S	.	*	T	Hydrogen-bonded Turn	trans	-116.4	8.3	-147.8	-73.9	-68.2	0	0	0	115.4	N9 S134	N9-F136 HydrophobicContact CB-CD2 4.43Å; N9-F136 HydrophobicContact CB-CE1 3.85Å; N9-F136 HydrophobicContact CB-CE2 3.62Å; N9-F136 HydrophobicContact CB-CZ 3.29Å; N9-F136 WeakPolarHBondContact ND2-CD1 3.3Å; N9-F136 WeakPolarHBondContact ND2-CD2 3.44Å; N9-F136 WeakPolarHBondContact ND2-CE1 3.26Å; N9-F136 WeakPolarHBondContact ND2-CE2 3.41Å; N9-F136 WeakPolarHBondContact ND2-CG 3.28Å; N9-F136 WeakPolarHBondContact ND2-CZ 3.39Å; N9-F136 WeakPolarHBondContact O-CZ 3.46Å; N9-F136 WeakPolarHBondContact OD1-CD2 3.41Å; N9-F136 WeakPolarHBondContact OD1-CE2 3.3Å; S134-F136 PolarHBondContact O-N 3.1Å
137	T	25.9	Very low	28.5	Very low	130 Å²	130	127.1 Å²	127.1	80%	0.798	70%	0.7	S	S	*	*			trans	-110	95.1	170.5	44.3	0	0	0	0	110.1
138	K	25	Very low	28.1	Very low	201 Å²	201	128.6 Å²	128.6	87%	0.874	70%	0.695	S	S	*	*			trans	-81.3	113.2	160.5	-100.5	-173.2	177.4	179	0	109.4
139	K	28.1	Very low	28.3	Very low	281 Å²	281	129.5 Å²	129.5	100%	1.222	69%	0.691	S	S	*	*				-157.7	0	117.6	-121.4	-174.4	-176.8	-176	0	109.2

Retrieved 139 of 139 residues in 118 ms (Link to these results)

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