A0A077ZPN1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZPN1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 145 aa.

						>A0A077ZPN1_TRITR|A0A077ZPN1
MKPWSEADVEGFYLELHSTLNILRARDRFVQPKSAYTLQAAASKLTNHLLLKWAQNVFDIRPREATLKDLVLTNRLVQPVESSNVTRYSQQTTTKGYCCRSNVAAVLDNHLEYELDICERFWRFNSGMSEYEFSSDRVAIGISVR
					

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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	42	Very low	60.9	Low	202 Å²	202	100 Å²	100	100%	0.995	53%	0.533	S	S	*	.				0	143.4	0	-82.3	174.2	157.8	0	0	108.9
2	K	53.3	Low	61.2	Low	187 Å²	187	92.7 Å²	92.7	81%	0.813	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-69.2	127.8	174.9	-169.8	177.8	178.3	-175.1	0	108	W4	K2-W4 PolarHBondContact O-N 3.14Å
3	P	58.4	Low	61.5	Low	112 Å²	112	86 Å²	86	73%	0.727	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-58.3	134.5	170.1	25.1	-31.8	0	0	0	108	S5	P3-S5 PolarHBondContact O-N 2.97Å
4	W	54.5	Low	62	Low	130 Å²	130	85.9 Å²	85.9	49%	0.492	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-62.9	134	175.7	-73	53.4	0	0	0	107.9	K2 D8 V9 F12 F124	K2-W4 PolarHBondContact O-N 3.14Å; W4-D8 HydrophobicContact CB-CB 4.12Å; W4-D8 HydrophobicContact CD2-CB 4.11Å; W4-D8 HydrophobicContact CE3-CB 3.38Å; W4-D8 HydrophobicContact CG-CB 4.45Å; W4-D8 HydrophobicContact CZ3-CB 4.11Å; W4-V9 HydrophobicContact CB-CG2 4.42Å; W4-F12 HydrophobicContact CZ3-CB 4.45Å; W4-F124 AromaticContact CD2-CD2 3.61Å; W4-F124 HydrophobicContact CD2-CD2 3.61Å; W4-F124 AromaticContact CD2-CE2 3.92Å; W4-F124 HydrophobicContact CD2-CE2 3.92Å; W4-F124 AromaticContact CE2-CD2 3.94Å; W4-F124 AromaticContact CE3-CD2 3.31Å; W4-F124 HydrophobicContact CE3-CD2 3.31Å; W4-F124 AromaticContact CE3-CE2 3.48Å; W4-F124 HydrophobicContact CE3-CE2 3.48Å; W4-F124 VanDerWaalsContact CE3-CE2 3.48Å; W4-F124 HydrophobicContact CG-CD2 4.38Å; W4-F124 HydrophobicContact CG-CE2 4.42Å; W4-F124 HydrophobicContact CH2-CB 4.29Å; W4-F124 AromaticContact CH2-CD2 3.79Å; W4-F124 HydrophobicContact CH2-CD2 3.79Å; W4-F124 HydrophobicContact CZ2-CB 4.32Å; W4-F124 HydrophobicContact CZ2-CD2 4.03Å; W4-F124 AromaticContact CZ3-CD2 3.43Å; W4-F124 HydrophobicContact CZ3-CD2 3.43Å; W4-F124 VanDerWaalsContact CZ3-CD2 3.43Å; W4-F124 AromaticContact CZ3-CE2 3.95Å; W4-F124 HydrophobicContact CZ3-CE2 3.95Å; W4-F124 HydrophobicContact CZ3-CG 4.49Å
5	S	67.3	Low	62.5	Low	57 Å²	57	84.3 Å²	84.3	40%	0.399	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-71.4	160	172.2	67.6	0	0	0	0	110	P3 A7 D8 V9	P3-S5 PolarHBondContact O-N 2.97Å; S5-A7 PolarHBondContact O-N 3.05Å; S5-A7 VanDerWaalsContact O-N 3.16Å; S5-D8 WeakPolarHBondContact CB-OD2 3.47Å; S5-D8 PolarHBondContact N-OD2 3.07Å; S5-D8 WeakPolarHBondContact O-CB 3.28Å; S5-D8 PolarHBondContact O-N 3.08Å; S5-D8 PolarHBondContact OG-N 3.41Å; S5-D8 PolarHBondContact OG-OD2 3.48Å; S5-V9 PolarHBondContact O-N 3.1Å; S5-V9 VanDerWaalsContact O-N 3.16Å
6	E	65	Low	62.9	Low	134 Å²	134	80.4 Å²	80.4	63%	0.626	42%	0.424	S	S	*	.	H	α-helix	trans	-52.9	-35.5	173.3	-171.5	177.5	174.6	0	0	111.7	D8 V9 E10 T46	E6-D8 PolarHBondContact O-N 3.33Å; E6-V9 PolarHBondContact O-N 2.98Å; E6-E10 WeakPolarHBondContact O-CB 3.35Å; E6-E10 PolarHBondContact O-N 3.06Å; E6-T46 HydrophobicContact CG-CG2 3.99Å; E6-T46 WeakPolarHBondContact OE1-CG2 3.4Å
7	A	68.1	Low	63	Low	65 Å²	65	76 Å²	76	54%	0.537	40%	0.401	S	S	.	.	H	α-helix	trans	-65.6	-35.8	175.5	0	0	0	0	0	113.2	S5 G11	S5-A7 PolarHBondContact O-N 3.05Å; S5-A7 VanDerWaalsContact O-N 3.16Å; A7-G11 PolarHBondContact O-N 3.42Å
8	D	63.8	Low	62.9	Low	72 Å²	72	74.3 Å²	74.3	39%	0.385	40%	0.396	S	S	.	.	H	α-helix	trans	-70.9	-36.9	177.6	-55.5	-52.5	0	0	0	110.8	W4 S5 E6 F12	W4-D8 HydrophobicContact CB-CB 4.12Å; W4-D8 HydrophobicContact CD2-CB 4.11Å; W4-D8 HydrophobicContact CE3-CB 3.38Å; W4-D8 HydrophobicContact CG-CB 4.45Å; W4-D8 HydrophobicContact CZ3-CB 4.11Å; S5-D8 WeakPolarHBondContact CB-OD2 3.47Å; S5-D8 PolarHBondContact N-OD2 3.07Å; S5-D8 WeakPolarHBondContact O-CB 3.28Å; S5-D8 PolarHBondContact O-N 3.08Å; S5-D8 PolarHBondContact OG-N 3.41Å; S5-D8 PolarHBondContact OG-OD2 3.48Å; E6-D8 PolarHBondContact O-N 3.33Å; D8-F12 WeakPolarHBondContact O-CB 3.38Å; D8-F12 PolarHBondContact O-N 3.46Å
9	V	62.7	Low	63	Low	16 Å²	16	71.6 Å²	71.6	10%	0.097	38%	0.383	C	S	.	.	H	α-helix	trans	-65.2	-46.9	174.3	175.3	0	0	0	0	110.9	W4 S5 E6 G11 F12 Y13 K44 L45 F124	W4-V9 HydrophobicContact CB-CG2 4.42Å; S5-V9 PolarHBondContact O-N 3.1Å; S5-V9 VanDerWaalsContact O-N 3.16Å; E6-V9 PolarHBondContact O-N 2.98Å; V9-G11 VanDerWaalsContact C-N 3.34Å; V9-F12 PolarHBondContact O-N 2.96Å; V9-Y13 VanDerWaalsContact O-CB 3.31Å; V9-Y13 WeakPolarHBondContact O-CB 2.97Å; V9-Y13 PolarHBondContact O-N 3.37Å; V9-K44 HydrophobicContact CG1-CB 4.49Å; V9-L45 HydrophobicContact CG1-CD2 3.83Å; V9-F124 HydrophobicContact CB-CE2 4.31Å; V9-F124 HydrophobicContact CB-CZ 4.15Å; V9-F124 HydrophobicContact CG1-CZ 3.94Å; V9-F124 HydrophobicContact CG2-CE2 3.81Å; V9-F124 HydrophobicContact CG2-CZ 3.79Å
10	E	67.7	Low	63.1	Low	88 Å²	88	68.2 Å²	68.2	41%	0.411	36%	0.364	S	S	.	.	H	α-helix	trans	-62.4	-42.2	176.4	-174.9	175	-159	0	0	111.3	E6 Y13 L14 L49	E6-E10 WeakPolarHBondContact O-CB 3.35Å; E6-E10 PolarHBondContact O-N 3.06Å; E10-Y13 WeakPolarHBondContact O-CB 2.96Å; E10-Y13 PolarHBondContact O-N 3.27Å; E10-L14 HydrophobicContact CG-CD1 4.14Å; E10-L14 VanDerWaalsContact O-CG 3.29Å; E10-L14 WeakPolarHBondContact O-CG 3.29Å; E10-L14 PolarHBondContact O-N 3.44Å; E10-L49 HydrophobicContact CB-CD1 4.2Å; E10-L49 HydrophobicContact CG-CD1 4.25Å; E10-L49 HydrophobicContact CG-CD2 4.45Å
11	G	67.1	Low	63.1	Low	37 Å²	37	66.1 Å²	66.1	38%	0.381	35%	0.354	S	S	.	.	H	α-helix	trans	-59.9	-49	175.9	0	0	0	0	0	112.4	A7 V9 Y13 L14 E15	A7-G11 PolarHBondContact O-N 3.42Å; V9-G11 VanDerWaalsContact C-N 3.34Å; G11-Y13 VanDerWaalsContact C-N 3.34Å; G11-Y13 PolarHBondContact O-N 2.84Å; G11-L14 PolarHBondContact O-N 3.41Å; G11-E15 PolarHBondContact O-N 2.96Å
12	F	64.8	Low	64	Low	12 Å²	12	60.6 Å²	60.6	5%	0.053	33%	0.327	C	S	.	.	H	α-helix	trans	-60.2	-44.6	176.3	176	-86.9	0	0	0	111.7	W4 D8 V9 L14 E15 L16 I117 F121 F124	W4-F12 HydrophobicContact CZ3-CB 4.45Å; D8-F12 WeakPolarHBondContact O-CB 3.38Å; D8-F12 PolarHBondContact O-N 3.46Å; V9-F12 PolarHBondContact O-N 2.96Å; F12-L14 VanDerWaalsContact C-N 3.34Å; F12-L14 PolarHBondContact O-N 3.25Å; F12-E15 PolarHBondContact O-N 3.13Å; F12-L16 HydrophobicContact CE1-CB 3.97Å; F12-L16 HydrophobicContact CE1-CD2 3.98Å; F12-L16 HydrophobicContact CZ-CB 3.97Å; F12-L16 HydrophobicContact CZ-CD2 4.24Å; F12-L16 HydrophobicContact CZ-CG 4.48Å; F12-L16 PolarHBondContact O-N 3.4Å; F12-I117 HydrophobicContact CE2-CG2 4.47Å; F12-F121 AromaticContact CD1-CD2 3.84Å; F12-F121 HydrophobicContact CD1-CD2 3.84Å; F12-F121 HydrophobicContact CD1-CE2 4.12Å; F12-F121 HydrophobicContact CE1-CB 4.35Å; F12-F121 AromaticContact CE1-CD2 2.97Å; F12-F121 HydrophobicContact CE1-CD2 2.97Å; F12-F121 AromaticContact CE1-CE2 3.39Å; F12-F121 HydrophobicContact CE1-CE2 3.39Å; F12-F121 AromaticContact CE1-CG 3.99Å; F12-F121 HydrophobicContact CE1-CG 3.99Å; F12-F121 HydrophobicContact CE2-CB 3.83Å; F12-F121 AromaticContact CE2-CD2 3.88Å; F12-F121 HydrophobicContact CE2-CD2 3.88Å; F12-F121 HydrophobicContact CE2-CG 4.34Å; F12-F121 HydrophobicContact CZ-CB 3.48Å; F12-F121 VanDerWaalsContact CZ-CB 3.48Å; F12-F121 AromaticContact CZ-CD2 3.02Å; F12-F121 HydrophobicContact CZ-CD2 3.02Å; F12-F121 AromaticContact CZ-CE2 3.92Å; F12-F121 HydrophobicContact CZ-CE2 3.92Å; F12-F121 AromaticContact CZ-CG 3.6Å; F12-F121 HydrophobicContact CZ-CG 3.6Å; F12-F124 HydrophobicContact CD1-CD1 4.39Å; F12-F124 HydrophobicContact CD1-CE1 4.44Å; F12-F124 HydrophobicContact CG-CD2 4.5Å; F12-F124 HydrophobicContact CG-CG 4.49Å
13	Y	65.1	Low	64.2	Low	6 Å²	6	52.3 Å²	52.3	2%	0.024	29%	0.292	C	S	.	.	H	α-helix	trans	-56.8	-47.5	176.9	172.3	-85.4	0	0	0	111.7	V9 E10 G11 H17 L45 L49 W53 F58	V9-Y13 VanDerWaalsContact O-CB 3.31Å; V9-Y13 WeakPolarHBondContact O-CB 2.97Å; V9-Y13 PolarHBondContact O-N 3.37Å; E10-Y13 WeakPolarHBondContact O-CB 2.96Å; E10-Y13 PolarHBondContact O-N 3.27Å; G11-Y13 VanDerWaalsContact C-N 3.34Å; G11-Y13 PolarHBondContact O-N 2.84Å; Y13-H17 AromaticContact CD1-CD2 3.64Å; Y13-H17 AromaticContact CD2-CD2 3.86Å; Y13-H17 AromaticContact CD2-NE2 3.9Å; Y13-H17 AromaticContact CE1-CD2 3.33Å; Y13-H17 WeakPolarHBondContact CE1-CD2 3.33Å; Y13-H17 AromaticContact CE1-NE2 3.64Å; Y13-H17 AromaticContact CE2-CD2 3.7Å; Y13-H17 AromaticContact CE2-NE2 3.35Å; Y13-H17 WeakPolarHBondContact CE2-NE2 3.42Å; Y13-H17 AromaticContact CG-CD2 3.87Å; Y13-H17 AromaticContact CZ-CD2 3.37Å; Y13-H17 AromaticContact CZ-NE2 3.14Å; Y13-H17 WeakPolarHBondContact O-CB 3.21Å; Y13-H17 PolarHBondContact O-CD2 2.71Å; Y13-H17 PolarHBondContact O-N 3.1Å; Y13-H17 PolarHBondContact OH-NE2 3.48Å; Y13-L45 HydrophobicContact CD2-CD1 3.51Å; Y13-L45 HydrophobicContact CD2-CD2 3.4Å; Y13-L45 VanDerWaalsContact CD2-CD2 3.4Å; Y13-L45 HydrophobicContact CD2-CG 4.1Å; Y13-L45 HydrophobicContact CE2-CD1 3.43Å; Y13-L45 VanDerWaalsContact CE2-CD1 3.43Å; Y13-L45 HydrophobicContact CE2-CD2 4.1Å; Y13-L45 HydrophobicContact CE2-CG 4.41Å; Y13-L45 HydrophobicContact CG-CD2 4.03Å; Y13-L49 HydrophobicContact CD1-CD2 4Å; Y13-L49 HydrophobicContact CE1-CD2 3.86Å; Y13-L49 HydrophobicContact CE2-CB 4.19Å; Y13-L49 PolarHBondContact OH-O 3.22Å; Y13-W53 HydrophobicContact CD2-CE3 4.01Å; Y13-W53 HydrophobicContact CD2-CZ3 4.37Å; Y13-W53 HydrophobicContact CE2-CB 4.33Å; Y13-W53 HydrophobicContact CE2-CD2 4.43Å; Y13-W53 AromaticContact CE2-CE3 3.49Å; Y13-W53 HydrophobicContact CE2-CE3 3.49Å; Y13-W53 VanDerWaalsContact CE2-CE3 3.49Å; Y13-W53 HydrophobicContact CE2-CZ3 4.23Å; Y13-F58 HydrophobicContact CE1-CE1 4.15Å; Y13-F58 AromaticContact CZ-CZ 3.99Å; Y13-F58 WeakPolarHBondContact OH-CE1 3.33Å; Y13-F58 WeakPolarHBondContact OH-CZ 3.31Å
14	L	68.2	Low	64.3	Low	84 Å²	84	52 Å²	52	44%	0.44	28%	0.276	S	S	.	.	H	α-helix	trans	-66.1	-39.4	178.7	-69.3	172.6	0	0	0	111.9	E10 G11 F12 H17 S18	E10-L14 HydrophobicContact CG-CD1 4.14Å; E10-L14 VanDerWaalsContact O-CG 3.29Å; E10-L14 WeakPolarHBondContact O-CG 3.29Å; E10-L14 PolarHBondContact O-N 3.44Å; G11-L14 PolarHBondContact O-N 3.41Å; F12-L14 VanDerWaalsContact C-N 3.34Å; F12-L14 PolarHBondContact O-N 3.25Å; L14-H17 PolarHBondContact O-N 3.43Å; L14-S18 VanDerWaalsContact O-CB 3.28Å; L14-S18 WeakPolarHBondContact O-CB 3.19Å; L14-S18 PolarHBondContact O-N 2.9Å; L14-S18 PolarHBondContact O-OG 2.76Å
15	E	69.5	Low	64.6	Low	63 Å²	63	49.4 Å²	49.4	29%	0.294	28%	0.282	S	S	.	.	H	α-helix	trans	-62.7	-50.2	176.7	-173.2	177	-174.2	0	0	111.4	G11 F12 H17 S18 T19 R120	G11-E15 PolarHBondContact O-N 2.96Å; F12-E15 PolarHBondContact O-N 3.13Å; E15-H17 VanDerWaalsContact C-N 3.34Å; E15-H17 PolarHBondContact O-N 3.35Å; E15-S18 PolarHBondContact O-N 3.25Å; E15-S18 PolarHBondContact O-OG 2.82Å; E15-T19 PolarHBondContact O-N 3.33Å; E15-T19 VanDerWaalsContact O-N 3.1Å; E15-T19 PolarHBondContact O-OG1 2.85Å; E15-R120 IonicContact OE1-CZ 3.65Å; E15-R120 IonicContact OE1-NH1 2.74Å; E15-R120 PolarHBondContact OE1-NH1 3.23Å; E15-R120 IonicContact OE1-NH2 3.85Å; E15-R120 IonicContact OE2-NH1 3.66Å
16	L	68.8	Low	64.3	Low	22 Å²	22	51.8 Å²	51.8	12%	0.115	28%	0.282	C	S	.	.	H	α-helix	trans	-57.9	-48.2	176.8	-179.7	66.4	0	0	0	110.6	F12 T19 L20 W53 I117	F12-L16 HydrophobicContact CE1-CB 3.97Å; F12-L16 HydrophobicContact CE1-CD2 3.98Å; F12-L16 HydrophobicContact CZ-CB 3.97Å; F12-L16 HydrophobicContact CZ-CD2 4.24Å; F12-L16 HydrophobicContact CZ-CG 4.48Å; F12-L16 PolarHBondContact O-N 3.4Å; L16-T19 WeakPolarHBondContact O-CB 3.4Å; L16-T19 PolarHBondContact O-N 3.36Å; L16-L20 HydrophobicContact CG-CD1 4.31Å; L16-L20 WeakPolarHBondContact O-CG 3.41Å; L16-L20 PolarHBondContact O-N 3.3Å; L16-W53 HydrophobicContact CD2-CH2 4.35Å; L16-W53 HydrophobicContact CD2-CZ3 4.41Å; L16-I117 HydrophobicContact CD1-CG2 3.86Å
17	H	64.3	Low	63.9	Low	5 Å²	5	52.7 Å²	52.7	2%	0.023	29%	0.291	C	S	.	.	H	α-helix	trans	-65	-40.9	179.6	-87	-67.4	0	0	0	113.7	Y13 L14 E15 T19 L20 N21 W53 F58 I60	Y13-H17 AromaticContact CD1-CD2 3.64Å; Y13-H17 AromaticContact CD2-CD2 3.86Å; Y13-H17 AromaticContact CD2-NE2 3.9Å; Y13-H17 AromaticContact CE1-CD2 3.33Å; Y13-H17 WeakPolarHBondContact CE1-CD2 3.33Å; Y13-H17 AromaticContact CE1-NE2 3.64Å; Y13-H17 AromaticContact CE2-CD2 3.7Å; Y13-H17 AromaticContact CE2-NE2 3.35Å; Y13-H17 WeakPolarHBondContact CE2-NE2 3.42Å; Y13-H17 AromaticContact CG-CD2 3.87Å; Y13-H17 AromaticContact CZ-CD2 3.37Å; Y13-H17 AromaticContact CZ-NE2 3.14Å; Y13-H17 WeakPolarHBondContact O-CB 3.21Å; Y13-H17 PolarHBondContact O-CD2 2.71Å; Y13-H17 PolarHBondContact O-N 3.1Å; Y13-H17 PolarHBondContact OH-NE2 3.48Å; L14-H17 PolarHBondContact O-N 3.43Å; E15-H17 VanDerWaalsContact C-N 3.34Å; E15-H17 PolarHBondContact O-N 3.35Å; H17-T19 PolarHBondContact O-N 3.31Å; H17-L20 PolarHBondContact O-N 3.38Å; H17-N21 WeakPolarHBondContact O-CB 3.43Å; H17-N21 PolarHBondContact O-N 2.86Å; H17-W53 AromaticContact CD2-CE3 3.94Å; H17-W53 AromaticContact CD2-CZ3 3.7Å; H17-W53 AromaticContact CE1-CD2 3.8Å; H17-W53 AromaticContact CE1-CE3 3.32Å; H17-W53 AromaticContact CE1-CH2 3.58Å; H17-W53 AromaticContact CE1-CZ3 3.22Å; H17-W53 WeakPolarHBondContact CE1-CZ3 3.28Å; H17-W53 AromaticContact NE2-CD2 3.7Å; H17-W53 AromaticContact NE2-CE3 2.86Å; H17-W53 AromaticContact NE2-CH2 3.8Å; H17-W53 AromaticContact NE2-CZ3 2.95Å; H17-W53 WeakPolarHBondContact NE2-CZ3 3.42Å; H17-F58 AromaticContact CE1-CE2 3.67Å; H17-F58 AromaticContact CE1-CZ 3.97Å; H17-F58 AromaticContact NE2-CZ 3.91Å; H17-I60 HydrophobicContact CB-CD1 4.46Å
18	S	62.4	Low	63.1	Low	45 Å²	45	55.9 Å²	55.9	32%	0.315	29%	0.289	S	S	.	.	H	α-helix	trans	-58.4	-41.3	176.8	73.4	0	0	0	0	110.9	L14 E15 N21 I22	L14-S18 VanDerWaalsContact O-CB 3.28Å; L14-S18 WeakPolarHBondContact O-CB 3.19Å; L14-S18 PolarHBondContact O-N 2.9Å; L14-S18 PolarHBondContact O-OG 2.76Å; E15-S18 PolarHBondContact O-N 3.25Å; E15-S18 PolarHBondContact O-OG 2.82Å; S18-N21 PolarHBondContact O-N 2.94Å; S18-I22 VanDerWaalsContact O-CG1 3.28Å; S18-I22 WeakPolarHBondContact O-CG1 3.43Å; S18-I22 PolarHBondContact O-N 2.79Å
19	T	64.7	Low	62.4	Low	23 Å²	23	58.1 Å²	58.1	14%	0.141	30%	0.296	C	S	.	.	H	α-helix	trans	-64.5	-49.2	176.8	-55.9	0	0	0	0	111	E15 L16 H17 N21 I22 L23 I117	E15-T19 PolarHBondContact O-N 3.33Å; E15-T19 VanDerWaalsContact O-N 3.1Å; E15-T19 PolarHBondContact O-OG1 2.85Å; L16-T19 WeakPolarHBondContact O-CB 3.4Å; L16-T19 PolarHBondContact O-N 3.36Å; H17-T19 PolarHBondContact O-N 3.31Å; T19-N21 VanDerWaalsContact C-N 3.29Å; T19-N21 PolarHBondContact O-N 2.88Å; T19-I22 PolarHBondContact O-N 2.9Å; T19-L23 HydrophobicContact CG2-CD1 4.27Å; T19-L23 VanDerWaalsContact O-CG 3.32Å; T19-L23 WeakPolarHBondContact O-CG 3.21Å; T19-L23 PolarHBondContact O-N 3.03Å; T19-I117 HydrophobicContact CG2-CD1 3.82Å; T19-I117 WeakPolarHBondContact OG1-CD1 3.44Å
20	L	63.5	Low	61.9	Low	4 Å²	4	57.6 Å²	57.6	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-59.9	-39.3	177.1	-63.7	175.4	0	0	0	111.9	L16 H17 L23 R24 V30 W53 I142	L16-L20 HydrophobicContact CG-CD1 4.31Å; L16-L20 WeakPolarHBondContact O-CG 3.41Å; L16-L20 PolarHBondContact O-N 3.3Å; H17-L20 PolarHBondContact O-N 3.38Å; L20-L23 PolarHBondContact O-N 3.36Å; L20-R24 VanDerWaalsContact O-CG 3.29Å; L20-R24 WeakPolarHBondContact O-CG 3.48Å; L20-R24 PolarHBondContact O-N 3.39Å; L20-V30 HydrophobicContact CD2-CG1 3.26Å; L20-V30 HydrophobicContact CG-CG1 4.5Å; L20-W53 HydrophobicContact CD1-CH2 4.4Å; L20-I142 HydrophobicContact CD2-CD1 4.4Å
21	N	63.5	Low	61.1	Low	25 Å²	25	58.9 Å²	58.9	13%	0.134	30%	0.299	C	S	.	.	H	α-helix	trans	-71.3	-38.4	179.1	-80.4	-1.1	0	0	0	112.7	H17 S18 T19 L23 R24 A25	H17-N21 WeakPolarHBondContact O-CB 3.43Å; H17-N21 PolarHBondContact O-N 2.86Å; S18-N21 PolarHBondContact O-N 2.94Å; T19-N21 VanDerWaalsContact C-N 3.29Å; T19-N21 PolarHBondContact O-N 2.88Å; N21-L23 VanDerWaalsContact C-N 3.28Å; N21-L23 PolarHBondContact O-N 3.18Å; N21-R24 PolarHBondContact O-N 2.87Å; N21-R24 PolarHBondContact OD1-NH1 3.46Å; N21-A25 WeakPolarHBondContact O-CB 3.29Å; N21-A25 PolarHBondContact O-N 3.32Å
22	I	62.3	Low	60.2	Low	86 Å²	86	58.6 Å²	58.6	44%	0.441	29%	0.29	S	S	.	.	H	α-helix	trans	-60.3	-42.6	172.4	-71.3	162.8	0	0	0	110.2	S18 T19 A25 R26	S18-I22 VanDerWaalsContact O-CG1 3.28Å; S18-I22 WeakPolarHBondContact O-CG1 3.43Å; S18-I22 PolarHBondContact O-N 2.79Å; T19-I22 PolarHBondContact O-N 2.9Å; I22-A25 PolarHBondContact O-N 3.34Å; I22-R26 WeakPolarHBondContact O-CG 2.97Å; I22-R26 PolarHBondContact O-N 2.86Å
23	L	57.1	Low	59.3	Low	13 Å²	13	64.4 Å²	64.4	7%	0.068	32%	0.316	C	S	.	.	H	α-helix	trans	-65	-44.3	177.7	-65	168.2	0	0	0	111.4	T19 L20 N21 A25 R26 R28 V30	T19-L23 HydrophobicContact CG2-CD1 4.27Å; T19-L23 VanDerWaalsContact O-CG 3.32Å; T19-L23 WeakPolarHBondContact O-CG 3.21Å; T19-L23 PolarHBondContact O-N 3.03Å; L20-L23 PolarHBondContact O-N 3.36Å; N21-L23 VanDerWaalsContact C-N 3.28Å; N21-L23 PolarHBondContact O-N 3.18Å; L23-A25 PolarHBondContact O-N 3.36Å; L23-R26 CarbonylContact O-C 3.56Å; L23-R26 PolarHBondContact O-N 3.26Å; L23-R26 VanDerWaalsContact O-N 3.13Å; L23-R28 HydrophobicContact CB-CB 4.29Å; L23-R28 VanDerWaalsContact O-CB 3.28Å; L23-R28 WeakPolarHBondContact O-CB 3.47Å; L23-R28 PolarHBondContact O-N 3.37Å; L23-V30 HydrophobicContact CB-CB 4.17Å; L23-V30 HydrophobicContact CB-CG1 4.34Å; L23-V30 HydrophobicContact CB-CG2 3.54Å; L23-V30 HydrophobicContact CD1-CB 4.41Å; L23-V30 HydrophobicContact CD1-CG1 3.8Å; L23-V30 HydrophobicContact CD1-CG2 3.88Å; L23-V30 HydrophobicContact CG-CG2 4.23Å
24	R	60.7	Low	58.3	Low	106 Å²	106	65.2 Å²	65.2	40%	0.4	32%	0.322	S	S	.	.	H	α-helix	trans	-62.7	-39.9	175.6	-73.6	169.9	-178.7	166.6	-4.5	113.4	L20 N21 R26 D27	L20-R24 VanDerWaalsContact O-CG 3.29Å; L20-R24 WeakPolarHBondContact O-CG 3.48Å; L20-R24 PolarHBondContact O-N 3.39Å; N21-R24 PolarHBondContact O-N 2.87Å; N21-R24 PolarHBondContact OD1-NH1 3.46Å; R24-R26 PolarHBondContact O-N 3.02Å; R24-D27 WeakPolarHBondContact O-CA 3.47Å; R24-D27 PolarHBondContact O-N 2.92Å
25	A	60.4	Low	56.9	Low	74 Å²	74	64.9 Å²	64.9	61%	0.612	33%	0.331	S	S	*	.	H	α-helix	trans	-65.1	-19.8	176.6	0	0	0	0	0	112.7	N21 I22 L23 D27	N21-A25 WeakPolarHBondContact O-CB 3.29Å; N21-A25 PolarHBondContact O-N 3.32Å; I22-A25 PolarHBondContact O-N 3.34Å; L23-A25 PolarHBondContact O-N 3.36Å; A25-D27 VanDerWaalsContact C-N 3.29Å
26	R	60.8	Low	55.5	Low	107 Å²	107	69.2 Å²	69.2	40%	0.404	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	21	172.1	-64.4	178.9	-178.5	-170.9	3.8	112.4	I22 L23 R24 R28 L107 H110	I22-R26 WeakPolarHBondContact O-CG 2.97Å; I22-R26 PolarHBondContact O-N 2.86Å; L23-R26 CarbonylContact O-C 3.56Å; L23-R26 PolarHBondContact O-N 3.26Å; L23-R26 VanDerWaalsContact O-N 3.13Å; R24-R26 PolarHBondContact O-N 3.02Å; R26-R28 HydrophobicContact CB-CG 4.5Å; R26-R28 PolarHBondContact O-N 3.3Å; R26-R28 VanDerWaalsContact O-N 3.08Å; R26-L107 VanDerWaalsContact NH2-CD2 3.26Å; R26-H110 PolarHBondContact NH1-CE1 3.04Å; R26-H110 PolarHBondContact NH1-NE2 3.3Å; R26-H110 VanDerWaalsContact NH1-NE2 3.11Å
27	D	57.4	Low	54.4	Low	153 Å²	153	68.5 Å²	68.5	82%	0.818	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	23.1	-177.9	-61.1	-50.6	0	0	0	114.3	R24 A25	R24-D27 WeakPolarHBondContact O-CA 3.47Å; R24-D27 PolarHBondContact O-N 2.92Å; A25-D27 VanDerWaalsContact C-N 3.29Å
28	R	50.4	Low	53.6	Low	133 Å²	133	70.9 Å²	70.9	50%	0.502	36%	0.355	S	S	.	.			trans	-81.4	124.8	171.5	-60.9	-56	-168.7	-170.9	-2.3	108.9	L23 R26 V30 V144	L23-R28 HydrophobicContact CB-CB 4.29Å; L23-R28 VanDerWaalsContact O-CB 3.28Å; L23-R28 WeakPolarHBondContact O-CB 3.47Å; L23-R28 PolarHBondContact O-N 3.37Å; R26-R28 HydrophobicContact CB-CG 4.5Å; R26-R28 PolarHBondContact O-N 3.3Å; R26-R28 VanDerWaalsContact O-N 3.08Å; R28-V30 HydrophobicContact CB-CG2 3.78Å; R28-V30 PolarHBondContact O-N 3.38Å; R28-V30 VanDerWaalsContact O-N 3.14Å; R28-V144 HydrophobicContact CB-CG1 4.1Å; R28-V144 HydrophobicContact CG-CG1 4.18Å
29	F	50	Low	53	Low	119 Å²	119	75.1 Å²	75.1	52%	0.522	37%	0.37	S	S	.	.			trans	-72	111.1	168.6	-173.7	-95.7	0	0	0	107.4	Q31 V144 R145	F29-Q31 HydrophobicContact CE1-CB 3.98Å; F29-Q31 HydrophobicContact CZ-CB 4.41Å; F29-V144 WeakPolarHBondContact O-CA 3.46Å; F29-R145 HydrophobicContact CB-CB 4.28Å; F29-R145 PolarHBondContact N-O 3.11Å; F29-R145 PolarHBondContact O-N 3.07Å
30	V	51.7	Low	52.3	Low	5 Å²	5	74.8 Å²	74.8	3%	0.03	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	109.2	-175.9	169.5	0	0	0	0	108.1	L20 L23 R28 I142 V144	L20-V30 HydrophobicContact CD2-CG1 3.26Å; L20-V30 HydrophobicContact CG-CG1 4.5Å; L23-V30 HydrophobicContact CB-CB 4.17Å; L23-V30 HydrophobicContact CB-CG1 4.34Å; L23-V30 HydrophobicContact CB-CG2 3.54Å; L23-V30 HydrophobicContact CD1-CB 4.41Å; L23-V30 HydrophobicContact CD1-CG1 3.8Å; L23-V30 HydrophobicContact CD1-CG2 3.88Å; L23-V30 HydrophobicContact CG-CG2 4.23Å; R28-V30 HydrophobicContact CB-CG2 3.78Å; R28-V30 PolarHBondContact O-N 3.38Å; R28-V30 VanDerWaalsContact O-N 3.14Å; V30-I142 HydrophobicContact CB-CG2 4.1Å; V30-I142 HydrophobicContact CG1-CG2 3.36Å; V30-I142 HydrophobicContact CG2-CG2 4.02Å; V30-V144 HydrophobicContact CG2-CG2 4.21Å
31	Q	49.6	Very low	51.8	Low	114 Å²	114	74.9 Å²	74.9	53%	0.533	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.8	174.5	-168.7	176.8	11.7	0	0	108.8	F29 K33 S143	F29-Q31 HydrophobicContact CE1-CB 3.98Å; F29-Q31 HydrophobicContact CZ-CB 4.41Å; Q31-K33 PolarHBondContact O-N 2.8Å; Q31-K33 VanDerWaalsContact O-N 3.1Å; Q31-S143 PolarHBondContact O-N 3.33Å
32	P	49.4	Very low	51.4	Low	32 Å²	32	74.8 Å²	74.8	21%	0.208	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	112.9	168.6	24.7	-31.1	0	0	0	108.9	S34 L38	P32-S34 PolarHBondContact O-N 2.83Å; P32-L38 HydrophobicContact CB-CD1 4.38Å; P32-L38 HydrophobicContact CG-CD1 3.61Å
33	K	45.3	Very low	51.1	Low	134 Å²	134	75.1 Å²	75.1	58%	0.583	38%	0.384	S	S	*	.	S	Bend	trans	-66.2	-25.7	-179.6	-80.4	-177.8	-147.7	171.1	0	112.9	Q31 G141 S143	Q31-K33 PolarHBondContact O-N 2.8Å; Q31-K33 VanDerWaalsContact O-N 3.1Å; K33-G141 WeakPolarHBondContact CA-O 3.42Å; K33-G141 WeakPolarHBondContact CB-O 3.03Å; K33-G141 WeakPolarHBondContact CG-O 2.86Å; K33-G141 PolarHBondContact N-O 2.93Å; K33-S143 VanDerWaalsContact CE-CA 3.42Å; K33-S143 WeakPolarHBondContact CE-OG 3.22Å
34	S	44.8	Very low	51.4	Low	23 Å²	23	78.8 Å²	78.8	16%	0.161	40%	0.399	C	S	.	.			trans	-95.6	104.1	-175.2	168.5	0	0	0	0	110.3	P32 Y36 T37 L38	P32-S34 PolarHBondContact O-N 2.83Å; S34-Y36 PolarHBondContact O-N 3.15Å; S34-T37 WeakPolarHBondContact CB-OG1 3.45Å; S34-T37 WeakPolarHBondContact O-CB 3.4Å; S34-T37 PolarHBondContact O-N 3.35Å; S34-T37 WeakPolarHBondContact OG-CB 3.14Å; S34-T37 PolarHBondContact OG-N 3.3Å; S34-T37 PolarHBondContact OG-OG1 3.43Å; S34-L38 PolarHBondContact O-N 3.12Å; S34-L38 VanDerWaalsContact O-N 3.15Å
35	A	39	Very low	51.4	Low	77 Å²	77	74.6 Å²	74.6	64%	0.636	39%	0.385	S	S	*	.	H	α-helix	trans	-56.7	-34.3	168.5	0	0	0	0	0	111.3	L38 Q39	A35-L38 PolarHBondContact O-N 2.83Å; A35-Q39 WeakPolarHBondContact O-CB 2.95Å; A35-Q39 PolarHBondContact O-N 3.43Å
36	Y	39.9	Very low	51.8	Low	153 Å²	153	73.3 Å²	73.3	60%	0.6	37%	0.369	S	S	*	.	H	α-helix	trans	-63.7	-43.9	177.4	-176.7	-96.4	0	0	0	112.5	S34 Q39 A40 W122	S34-Y36 PolarHBondContact O-N 3.15Å; Y36-Q39 PolarHBondContact O-N 3.23Å; Y36-A40 VanDerWaalsContact O-CB 3.3Å; Y36-A40 WeakPolarHBondContact O-CB 3.22Å; Y36-A40 PolarHBondContact O-N 3.41Å; Y36-W122 HydrophobicContact CD1-CZ3 4.36Å; Y36-W122 HydrophobicContact CE1-CH2 4.13Å; Y36-W122 HydrophobicContact CE1-CZ3 4.03Å
37	T	44.8	Very low	52.3	Low	7 Å²	7	74.4 Å²	74.4	4%	0.043	38%	0.383	C	S	.	.	H	α-helix	trans	-61	-48.6	176.6	-68.3	0	0	0	0	110	S34 Q39 A40 A41 F121 I140	S34-T37 WeakPolarHBondContact CB-OG1 3.45Å; S34-T37 WeakPolarHBondContact O-CB 3.4Å; S34-T37 PolarHBondContact O-N 3.35Å; S34-T37 WeakPolarHBondContact OG-CB 3.14Å; S34-T37 PolarHBondContact OG-N 3.3Å; S34-T37 PolarHBondContact OG-OG1 3.43Å; T37-Q39 VanDerWaalsContact C-N 3.32Å; T37-Q39 PolarHBondContact O-N 3.49Å; T37-A40 PolarHBondContact O-N 3.49Å; T37-A41 PolarHBondContact O-N 3.01Å; T37-F121 HydrophobicContact CG2-CD1 3.42Å; T37-F121 VanDerWaalsContact CG2-CD1 3.42Å; T37-F121 HydrophobicContact CG2-CE1 3.05Å; T37-F121 HydrophobicContact CG2-CZ 3.99Å; T37-F121 VanDerWaalsContact O-CE1 3.24Å; T37-F121 WeakPolarHBondContact O-CE1 3.35Å; T37-F121 WeakPolarHBondContact O-CZ 3.33Å; T37-I140 HydrophobicContact CG2-CB 4.46Å; T37-I140 HydrophobicContact CG2-CD1 3.47Å; T37-I140 VanDerWaalsContact CG2-CD1 3.47Å; T37-I140 HydrophobicContact CG2-CG1 3.57Å; T37-I140 HydrophobicContact CG2-CG2 4.21Å
38	L	48.7	Very low	53	Low	55 Å²	55	72.5 Å²	72.5	29%	0.288	37%	0.369	S	S	.	.	H	α-helix	trans	-60.5	-43.7	176.7	-163	106.7	0	0	0	111.8	P32 S34 A35 A41 A42 W53	P32-L38 HydrophobicContact CB-CD1 4.38Å; P32-L38 HydrophobicContact CG-CD1 3.61Å; S34-L38 PolarHBondContact O-N 3.12Å; S34-L38 VanDerWaalsContact O-N 3.15Å; A35-L38 PolarHBondContact O-N 2.83Å; L38-A41 WeakPolarHBondContact O-CB 3.32Å; L38-A41 PolarHBondContact O-N 2.92Å; L38-A42 WeakPolarHBondContact O-CB 3.47Å; L38-A42 PolarHBondContact O-N 3.39Å; L38-W53 HydrophobicContact CD1-CH2 3.94Å; L38-W53 HydrophobicContact CD1-CZ2 3.17Å; L38-W53 HydrophobicContact CG-CZ2 4.18Å
39	Q	48.9	Very low	53.6	Low	134 Å²	134	66.6 Å²	66.6	63%	0.626	35%	0.347	S	S	*	.	H	α-helix	trans	-66	-40	179.3	-175	176.6	-13	0	0	111.9	A35 Y36 T37 A42 S43	A35-Q39 WeakPolarHBondContact O-CB 2.95Å; A35-Q39 PolarHBondContact O-N 3.43Å; Y36-Q39 PolarHBondContact O-N 3.23Å; T37-Q39 VanDerWaalsContact C-N 3.32Å; T37-Q39 PolarHBondContact O-N 3.49Å; Q39-A42 PolarHBondContact O-N 3.49Å; Q39-S43 WeakPolarHBondContact O-CB 3.28Å; Q39-S43 PolarHBondContact O-N 3.08Å
40	A	50.3	Low	54.4	Low	16 Å²	16	64.1 Å²	64.1	13%	0.132	34%	0.339	C	S	.	.	H	α-helix	trans	-65	-44.3	176.5	0	0	0	0	0	111.1	Y36 T37 S43 N125	Y36-A40 VanDerWaalsContact O-CB 3.3Å; Y36-A40 WeakPolarHBondContact O-CB 3.22Å; Y36-A40 PolarHBondContact O-N 3.41Å; T37-A40 PolarHBondContact O-N 3.49Å; A40-S43 PolarHBondContact O-N 3.08Å; A40-S43 PolarHBondContact O-OG 2.6Å; A40-N125 VanDerWaalsContact C-OD1 3.26Å; A40-N125 HydrophobicContact CB-CB 4.27Å; A40-N125 VanDerWaalsContact CB-OD1 3.23Å; A40-N125 WeakPolarHBondContact CB-OD1 3.46Å; A40-N125 PolarHBondContact O-OD1 3.1Å
41	A	52.3	Low	55	Low	7 Å²	7	68.8 Å²	68.8	6%	0.058	36%	0.364	C	S	.	.	H	α-helix	trans	-54.1	-58.7	169	0	0	0	0	0	110.3	T37 L38 S43 K44 L45 F121	T37-A41 PolarHBondContact O-N 3.01Å; L38-A41 WeakPolarHBondContact O-CB 3.32Å; L38-A41 PolarHBondContact O-N 2.92Å; A41-S43 PolarHBondContact O-N 2.94Å; A41-K44 PolarHBondContact O-N 3.16Å; A41-L45 WeakPolarHBondContact O-CG 3.34Å; A41-L45 PolarHBondContact O-N 2.96Å; A41-F121 HydrophobicContact CB-CE2 3.51Å; A41-F121 HydrophobicContact CB-CZ 3.29Å
42	A	55.1	Low	55.6	Low	23 Å²	23	67.4 Å²	67.4	19%	0.19	36%	0.356	C	S	.	.	H	α-helix	trans	-56.4	-36.4	-174.8	0	0	0	0	0	112.4	L38 Q39 K44 L45 L50	L38-A42 WeakPolarHBondContact O-CB 3.47Å; L38-A42 PolarHBondContact O-N 3.39Å; Q39-A42 PolarHBondContact O-N 3.49Å; A42-K44 PolarHBondContact O-N 3.19Å; A42-L45 PolarHBondContact O-N 3.38Å; A42-L50 HydrophobicContact CB-CD1 3.55Å
43	S	56.5	Low	56.2	Low	92 Å²	92	67.8 Å²	67.8	64%	0.643	35%	0.353	S	S	*	.	H	α-helix	trans	-65	-23.2	178	74.8	0	0	0	0	113.9	Q39 A40 A41	Q39-S43 WeakPolarHBondContact O-CB 3.28Å; Q39-S43 PolarHBondContact O-N 3.08Å; A40-S43 PolarHBondContact O-N 3.08Å; A40-S43 PolarHBondContact O-OG 2.6Å; A41-S43 PolarHBondContact O-N 2.94Å
44	K	62.6	Low	56.9	Low	90 Å²	90	64.9 Å²	64.9	39%	0.391	35%	0.354	S	S	.	.	H	α-helix	trans	-97.7	-13.4	177.6	-60.4	-170.9	-176.1	-166.8	0	113.1	V9 A41 A42 F124 N125	V9-K44 HydrophobicContact CG1-CB 4.49Å; A41-K44 PolarHBondContact O-N 3.16Å; A42-K44 PolarHBondContact O-N 3.19Å; K44-F124 HydrophobicContact CB-CE1 4.39Å; K44-F124 HydrophobicContact CB-CZ 4.27Å; K44-F124 HydrophobicContact CD-CD1 4.44Å; K44-F124 HydrophobicContact CD-CE1 3.73Å; K44-F124 HydrophobicContact CD-CZ 3.87Å; K44-F124 PolarHBondContact NZ-O 2.95Å; K44-N125 PolarHBondContact NZ-O 3.42Å
45	L	62.4	Low	57.6	Low	19 Å²	19	69.8 Å²	69.8	10%	0.099	38%	0.375	C	S	.	.	S	Bend	trans	-72	145.2	178	-64.6	-179.1	0	0	0	110.4	V9 Y13 A41 A42 L49	V9-L45 HydrophobicContact CG1-CD2 3.83Å; Y13-L45 HydrophobicContact CD2-CD1 3.51Å; Y13-L45 HydrophobicContact CD2-CD2 3.4Å; Y13-L45 VanDerWaalsContact CD2-CD2 3.4Å; Y13-L45 HydrophobicContact CD2-CG 4.1Å; Y13-L45 HydrophobicContact CE2-CD1 3.43Å; Y13-L45 VanDerWaalsContact CE2-CD1 3.43Å; Y13-L45 HydrophobicContact CE2-CD2 4.1Å; Y13-L45 HydrophobicContact CE2-CG 4.41Å; Y13-L45 HydrophobicContact CG-CD2 4.03Å; A41-L45 WeakPolarHBondContact O-CG 3.34Å; A41-L45 PolarHBondContact O-N 2.96Å; A42-L45 PolarHBondContact O-N 3.38Å; L45-L49 HydrophobicContact CB-CB 4.05Å; L45-L49 HydrophobicContact CD1-CB 4.32Å; L45-L49 HydrophobicContact CD2-CB 4.2Å; L45-L49 HydrophobicContact CD2-CD1 4.11Å; L45-L49 HydrophobicContact CG-CB 4.41Å
46	T	67.4	Low	58.3	Low	46 Å²	46	71.9 Å²	71.9	28%	0.282	38%	0.375	S	S	.	.			trans	-64.3	153.2	165.5	59.2	0	0	0	0	110.3	E6 H48 L49 L50	E6-T46 HydrophobicContact CG-CG2 3.99Å; E6-T46 WeakPolarHBondContact OE1-CG2 3.4Å; T46-H48 PolarHBondContact O-N 2.97Å; T46-L49 PolarHBondContact O-N 3.3Å; T46-L50 PolarHBondContact O-N 3.28Å
47	N	71.2	Confident	58.8	Low	131 Å²	131	69.2 Å²	69.2	70%	0.701	38%	0.375	S	S	*	.	H	α-helix	trans	-52	-32.7	178.8	-73.6	-27	0	0	0	112.4	L51	N47-L51 WeakPolarHBondContact O-CB 3.24Å; N47-L51 VanDerWaalsContact O-CG 3.28Å; N47-L51 WeakPolarHBondContact O-CG 3.3Å; N47-L51 PolarHBondContact O-N 3.19Å
48	H	71.9	Confident	59	Low	113 Å²	113	70.8 Å²	70.8	52%	0.523	38%	0.381	S	S	.	.	H	α-helix	trans	-63.6	-48.3	175.5	179.9	62.7	0	0	0	113.2	T46 L51 K52	T46-H48 PolarHBondContact O-N 2.97Å; H48-L51 PolarHBondContact O-N 3.02Å; H48-K52 WeakPolarHBondContact NE2-CE 3.44Å; H48-K52 PolarHBondContact NE2-NZ 3.03Å; H48-K52 WeakPolarHBondContact O-CG 3.43Å; H48-K52 PolarHBondContact O-N 2.93Å; H48-K52 VanDerWaalsContact O-N 3.08Å
49	L	64.2	Low	58.5	Low	8 Å²	8	74.3 Å²	74.3	4%	0.042	40%	0.4	C	S	.	.	H	α-helix	trans	-69	-36.9	178.1	-68.3	169.6	0	0	0	111	E10 Y13 L45 T46 K52 W53	E10-L49 HydrophobicContact CB-CD1 4.2Å; E10-L49 HydrophobicContact CG-CD1 4.25Å; E10-L49 HydrophobicContact CG-CD2 4.45Å; Y13-L49 HydrophobicContact CD1-CD2 4Å; Y13-L49 HydrophobicContact CE1-CD2 3.86Å; Y13-L49 HydrophobicContact CE2-CB 4.19Å; Y13-L49 PolarHBondContact OH-O 3.22Å; L45-L49 HydrophobicContact CB-CB 4.05Å; L45-L49 HydrophobicContact CD1-CB 4.32Å; L45-L49 HydrophobicContact CD2-CB 4.2Å; L45-L49 HydrophobicContact CD2-CD1 4.11Å; L45-L49 HydrophobicContact CG-CB 4.41Å; T46-L49 PolarHBondContact O-N 3.3Å; L49-K52 PolarHBondContact O-N 3.27Å; L49-W53 WeakPolarHBondContact O-CB 3.39Å; L49-W53 PolarHBondContact O-N 3.44Å
50	L	65.7	Low	58.2	Low	67 Å²	67	71 Å²	71	35%	0.351	39%	0.386	S	S	.	.	H	α-helix	trans	-61.3	-44.3	173.9	-170	78.7	0	0	0	112.1	A42 T46 W53 A54	A42-L50 HydrophobicContact CB-CD1 3.55Å; T46-L50 PolarHBondContact O-N 3.28Å; L50-W53 WeakPolarHBondContact O-CB 3.09Å; L50-W53 PolarHBondContact O-N 3.17Å; L50-A54 WeakPolarHBondContact O-CB 3.42Å; L50-A54 PolarHBondContact O-N 3.1Å
51	L	65.7	Low	57.6	Low	104 Å²	104	78.9 Å²	78.9	55%	0.545	41%	0.412	S	S	.	.	H	α-helix	trans	-62.9	-45.2	176.8	-79.4	168.6	0	0	0	111.6	N47 H48 W53 A54 Q55	N47-L51 WeakPolarHBondContact O-CB 3.24Å; N47-L51 VanDerWaalsContact O-CG 3.28Å; N47-L51 WeakPolarHBondContact O-CG 3.3Å; N47-L51 PolarHBondContact O-N 3.19Å; H48-L51 PolarHBondContact O-N 3.02Å; L51-W53 VanDerWaalsContact C-N 3.26Å; L51-W53 PolarHBondContact O-N 3.42Å; L51-A54 PolarHBondContact O-N 3.47Å; L51-Q55 WeakPolarHBondContact O-CB 3.49Å; L51-Q55 VanDerWaalsContact O-CG 3.29Å; L51-Q55 WeakPolarHBondContact O-CG 3.09Å; L51-Q55 PolarHBondContact O-N 3.38Å
52	K	61.7	Low	57	Low	84 Å²	84	83.8 Å²	83.8	37%	0.365	44%	0.444	S	S	.	.	H	α-helix	trans	-57.4	-43.7	173	-72.6	-176.3	173.2	-178.7	0	110.6	H48 L49 Q55 N56 F58	H48-K52 WeakPolarHBondContact NE2-CE 3.44Å; H48-K52 PolarHBondContact NE2-NZ 3.03Å; H48-K52 WeakPolarHBondContact O-CG 3.43Å; H48-K52 PolarHBondContact O-N 2.93Å; H48-K52 VanDerWaalsContact O-N 3.08Å; L49-K52 PolarHBondContact O-N 3.27Å; K52-Q55 PolarHBondContact O-N 3.32Å; K52-N56 PolarHBondContact O-N 2.72Å; K52-F58 HydrophobicContact CB-CE1 3.67Å; K52-F58 HydrophobicContact CB-CZ 3.75Å; K52-F58 WeakPolarHBondContact O-CE2 3.43Å; K52-F58 WeakPolarHBondContact O-CZ 3.42Å
53	W	61.3	Low	56.2	Low	40 Å²	40	91.5 Å²	91.5	15%	0.152	47%	0.468	C	S	.	.	H	α-helix	trans	-59.2	-53.3	179.3	-174.2	-66.3	0	0	0	110.4	Y13 L16 H17 L20 L38 L49 L50 L51 Q55 N56 F58	Y13-W53 HydrophobicContact CD2-CE3 4.01Å; Y13-W53 HydrophobicContact CD2-CZ3 4.37Å; Y13-W53 HydrophobicContact CE2-CB 4.33Å; Y13-W53 HydrophobicContact CE2-CD2 4.43Å; Y13-W53 AromaticContact CE2-CE3 3.49Å; Y13-W53 HydrophobicContact CE2-CE3 3.49Å; Y13-W53 VanDerWaalsContact CE2-CE3 3.49Å; Y13-W53 HydrophobicContact CE2-CZ3 4.23Å; L16-W53 HydrophobicContact CD2-CH2 4.35Å; L16-W53 HydrophobicContact CD2-CZ3 4.41Å; H17-W53 AromaticContact CD2-CE3 3.94Å; H17-W53 AromaticContact CD2-CZ3 3.7Å; H17-W53 AromaticContact CE1-CD2 3.8Å; H17-W53 AromaticContact CE1-CE3 3.32Å; H17-W53 AromaticContact CE1-CH2 3.58Å; H17-W53 AromaticContact CE1-CZ3 3.22Å; H17-W53 WeakPolarHBondContact CE1-CZ3 3.28Å; H17-W53 AromaticContact NE2-CD2 3.7Å; H17-W53 AromaticContact NE2-CE3 2.86Å; H17-W53 AromaticContact NE2-CH2 3.8Å; H17-W53 AromaticContact NE2-CZ3 2.95Å; H17-W53 WeakPolarHBondContact NE2-CZ3 3.42Å; L20-W53 HydrophobicContact CD1-CH2 4.4Å; L38-W53 HydrophobicContact CD1-CH2 3.94Å; L38-W53 HydrophobicContact CD1-CZ2 3.17Å; L38-W53 HydrophobicContact CG-CZ2 4.18Å; L49-W53 WeakPolarHBondContact O-CB 3.39Å; L49-W53 PolarHBondContact O-N 3.44Å; L50-W53 WeakPolarHBondContact O-CB 3.09Å; L50-W53 PolarHBondContact O-N 3.17Å; L51-W53 VanDerWaalsContact C-N 3.26Å; L51-W53 PolarHBondContact O-N 3.42Å; W53-Q55 VanDerWaalsContact C-N 3.26Å; W53-Q55 PolarHBondContact O-N 2.84Å; W53-N56 PolarHBondContact O-N 2.95Å; W53-F58 VanDerWaalsContact CA-CZ 3.48Å; W53-F58 HydrophobicContact CB-CZ 4.43Å
54	A	60.1	Low	55.4	Low	74 Å²	74	95.5 Å²	95.5	61%	0.612	48%	0.476	S	S	*	.	H	α-helix	trans	-60.4	-35	-177.7	0	0	0	0	0	112.9	L50 L51 N56	L50-A54 WeakPolarHBondContact O-CB 3.42Å; L50-A54 PolarHBondContact O-N 3.1Å; L51-A54 PolarHBondContact O-N 3.47Å; A54-N56 PolarHBondContact O-N 2.74Å
55	Q	60.6	Low	54.3	Low	126 Å²	126	94.7 Å²	94.7	59%	0.589	49%	0.487	S	S	*	.	H	α-helix	trans	-74	-12.9	179.3	-71.7	178.5	-9.8	0	0	113.2	L51 K52 W53 V57	L51-Q55 WeakPolarHBondContact O-CB 3.49Å; L51-Q55 VanDerWaalsContact O-CG 3.29Å; L51-Q55 WeakPolarHBondContact O-CG 3.09Å; L51-Q55 PolarHBondContact O-N 3.38Å; K52-Q55 PolarHBondContact O-N 3.32Å; W53-Q55 VanDerWaalsContact C-N 3.26Å; W53-Q55 PolarHBondContact O-N 2.84Å; Q55-V57 HydrophobicContact CB-CB 4.08Å; Q55-V57 HydrophobicContact CB-CG2 3.68Å; Q55-V57 PolarHBondContact O-N 3Å
56	N	53.9	Low	53	Low	120 Å²	120	96.1 Å²	96.1	64%	0.642	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	18.6	-167.5	-66	-55.3	0	0	0	113.2	K52 W53 A54 F58	K52-N56 PolarHBondContact O-N 2.72Å; W53-N56 PolarHBondContact O-N 2.95Å; A54-N56 PolarHBondContact O-N 2.74Å; N56-F58 PolarHBondContact O-N 3.2Å
57	V	48.8	Very low	51.4	Low	98 Å²	98	100.7 Å²	100.7	59%	0.594	52%	0.518	S	S	*	.			trans	-84	76.9	-179.3	177.8	0	0	0	0	107.2	Q55	Q55-V57 HydrophobicContact CB-CB 4.08Å; Q55-V57 HydrophobicContact CB-CG2 3.68Å; Q55-V57 PolarHBondContact O-N 3Å
58	F	49.5	Very low	49.7	Very low	39 Å²	39	102.5 Å²	102.5	17%	0.171	52%	0.52	C	S	.	.			trans	-124	80.3	169.7	-55.9	-73.4	0	0	0	108.8	Y13 H17 K52 W53 N56 I60	Y13-F58 HydrophobicContact CE1-CE1 4.15Å; Y13-F58 AromaticContact CZ-CZ 3.99Å; Y13-F58 WeakPolarHBondContact OH-CE1 3.33Å; Y13-F58 WeakPolarHBondContact OH-CZ 3.31Å; H17-F58 AromaticContact CE1-CE2 3.67Å; H17-F58 AromaticContact CE1-CZ 3.97Å; H17-F58 AromaticContact NE2-CZ 3.91Å; K52-F58 HydrophobicContact CB-CE1 3.67Å; K52-F58 HydrophobicContact CB-CZ 3.75Å; K52-F58 WeakPolarHBondContact O-CE2 3.43Å; K52-F58 WeakPolarHBondContact O-CZ 3.42Å; W53-F58 VanDerWaalsContact CA-CZ 3.48Å; W53-F58 HydrophobicContact CB-CZ 4.43Å; N56-F58 PolarHBondContact O-N 3.2Å; F58-I60 HydrophobicContact CB-CG1 4.36Å; F58-I60 PolarHBondContact O-N 3.44Å
59	D	38.7	Very low	47.9	Very low	129 Å²	129	100.5 Å²	100.5	69%	0.69	51%	0.513	S	S	*	.			trans	-75	58.1	159.5	-158.2	28.6	0	0	0	108.8	R61	D59-R61 VanDerWaalsContact CG-CG 3.42Å; D59-R61 PolarHBondContact O-N 3.33Å; D59-R61 WeakPolarHBondContact OD1-CG 3.28Å; D59-R61 WeakPolarHBondContact OD2-CD 3.41Å; D59-R61 WeakPolarHBondContact OD2-CG 3.46Å; D59-R61 IonicContact OD2-NE 3.76Å
60	I	42.8	Very low	46.4	Very low	65 Å²	65	104.4 Å²	104.4	33%	0.333	53%	0.533	S	S	.	.			trans	-76.1	70.6	152.4	-44.3	171.1	0	0	0	103.4	H17 F58	H17-I60 HydrophobicContact CB-CD1 4.46Å; F58-I60 HydrophobicContact CB-CG1 4.36Å; F58-I60 PolarHBondContact O-N 3.44Å
61	R	37.6	Very low	44.8	Very low	181 Å²	181	104.1 Å²	104.1	68%	0.683	53%	0.534	S	S	*	.			trans	-44.1	129.8	149.8	-57.3	-174.7	-64.8	174.6	0.8	103.7	D59 R63	D59-R61 VanDerWaalsContact CG-CG 3.42Å; D59-R61 PolarHBondContact O-N 3.33Å; D59-R61 WeakPolarHBondContact OD1-CG 3.28Å; D59-R61 WeakPolarHBondContact OD2-CD 3.41Å; D59-R61 WeakPolarHBondContact OD2-CG 3.46Å; D59-R61 IonicContact OD2-NE 3.76Å; R61-R63 PolarHBondContact O-N 2.8Å
62	P	39.6	Very low	43.1	Very low	111 Å²	111	105 Å²	105	72%	0.721	54%	0.539	S	S	*	.			trans	-52.3	98.6	171	20.6	-29.7	0	0	0	105.7	E64	P62-E64 PolarHBondContact O-N 3.25Å; P62-E64 VanDerWaalsContact O-N 3.16Å
63	R	39.1	Very low	41.7	Very low	185 Å²	185	104 Å²	104	70%	0.698	54%	0.54	S	S	*	.			trans	-64.6	123.5	169.7	-178.3	178.2	175.9	-140.5	-1.7	101.3	R61 A65	R61-R63 PolarHBondContact O-N 2.8Å; R63-A65 PolarHBondContact O-N 3.01Å
64	E	38.6	Very low	40.1	Very low	175 Å²	175	106.7 Å²	106.7	82%	0.818	56%	0.557	S	S	*	*			trans	-41.2	117.2	174.5	-169.2	175.5	-161.8	0	0	107.5	P62 T66	P62-E64 PolarHBondContact O-N 3.25Å; P62-E64 VanDerWaalsContact O-N 3.16Å; E64-T66 PolarHBondContact O-N 2.88Å
65	A	39.9	Very low	38.5	Very low	74 Å²	74	112.9 Å²	112.9	61%	0.612	57%	0.565	S	S	*	*			trans	-55.7	111.5	-172.4	0	0	0	0	0	107.1	R63	R63-A65 PolarHBondContact O-N 3.01Å
66	T	34	Very low	37	Very low	49 Å²	49	114.5 Å²	114.5	30%	0.301	58%	0.577	S	S	.	*			trans	-78.7	152.2	179.6	51.9	0	0	0	0	108.5	E64 K68 D69 L70	E64-T66 PolarHBondContact O-N 2.88Å; T66-K68 PolarHBondContact O-N 2.99Å; T66-D69 PolarHBondContact N-OD2 2.82Å; T66-D69 WeakPolarHBondContact O-CA 3.15Å; T66-D69 WeakPolarHBondContact O-CB 3.18Å; T66-D69 PolarHBondContact O-N 3.14Å; T66-D69 PolarHBondContact OG1-OD2 3.37Å; T66-L70 PolarHBondContact O-N 3.46Å
67	L	35.1	Very low	35.8	Very low	141 Å²	141	113.5 Å²	113.5	74%	0.738	58%	0.575	S	S	*	*	H	α-helix	trans	-52.1	-26.3	179	-139.3	111.2	0	0	0	112.6	L70 V71	L67-L70 WeakPolarHBondContact O-CB 3.48Å; L67-L70 PolarHBondContact O-N 2.84Å; L67-V71 VanDerWaalsContact O-CG2 3.31Å; L67-V71 WeakPolarHBondContact O-CG2 2.9Å; L67-V71 PolarHBondContact O-N 3.39Å; L67-V71 VanDerWaalsContact O-N 3.08Å
68	K	34.7	Very low	34.8	Very low	169 Å²	169	116.9 Å²	116.9	74%	0.735	58%	0.584	S	S	*	*	H	α-helix	trans	-64.1	-36.7	173.7	-68.6	-174.3	178.1	-178.1	0	113.2	T66 L70 V71 L72	T66-K68 PolarHBondContact O-N 2.99Å; K68-L70 VanDerWaalsContact C-N 3.32Å; K68-V71 PolarHBondContact O-N 3.32Å; K68-L72 PolarHBondContact O-N 2.88Å
69	D	35	Very low	33.7	Very low	71 Å²	71	120.4 Å²	120.4	38%	0.38	61%	0.611	S	S	.	*	H	α-helix	trans	-69	-33.9	177.5	-53.1	-46.9	0	0	0	110.7	T66 T73	T66-D69 PolarHBondContact N-OD2 2.82Å; T66-D69 WeakPolarHBondContact O-CA 3.15Å; T66-D69 WeakPolarHBondContact O-CB 3.18Å; T66-D69 PolarHBondContact O-N 3.14Å; T66-D69 PolarHBondContact OG1-OD2 3.37Å; D69-T73 PolarHBondContact O-OG1 3.37Å
70	L	31.7	Very low	33.4	Very low	91 Å²	91	120.1 Å²	120.1	48%	0.476	61%	0.613	S	S	.	*	H	α-helix	trans	-71.5	-26.6	171.4	-87.3	153.3	0	0	0	113.9	T66 L67 K68 T73 N74	T66-L70 PolarHBondContact O-N 3.46Å; L67-L70 WeakPolarHBondContact O-CB 3.48Å; L67-L70 PolarHBondContact O-N 2.84Å; K68-L70 VanDerWaalsContact C-N 3.32Å; L70-T73 WeakPolarHBondContact CA-OG1 3.49Å; L70-T73 PolarHBondContact O-OG1 3.32Å; L70-N74 WeakPolarHBondContact O-CB 3.23Å; L70-N74 PolarHBondContact O-N 3.28Å; L70-N74 VanDerWaalsContact O-N 3.1Å; L70-N74 PolarHBondContact O-ND2 3.45Å
71	V	32.3	Very low	32.6	Very low	61 Å²	61	126 Å²	126	37%	0.37	64%	0.639	S	S	.	*	H	α-helix	trans	-78.5	-31.8	178.6	171	0	0	0	0	111.2	L67 K68 T73 N74 R75	L67-V71 VanDerWaalsContact O-CG2 3.31Å; L67-V71 WeakPolarHBondContact O-CG2 2.9Å; L67-V71 PolarHBondContact O-N 3.39Å; L67-V71 VanDerWaalsContact O-N 3.08Å; K68-V71 PolarHBondContact O-N 3.32Å; V71-T73 VanDerWaalsContact C-N 3.33Å; V71-N74 PolarHBondContact O-N 3.15Å; V71-R75 HydrophobicContact CG1-CG 4.31Å; V71-R75 WeakPolarHBondContact O-CG 2.93Å; V71-R75 PolarHBondContact O-N 3.19Å
72	L	30.9	Very low	32.2	Very low	121 Å²	121	122 Å²	122	63%	0.634	64%	0.64	S	S	*	*	H	α-helix	trans	-64	-38.7	173.3	-77.2	169.7	0	0	0	111.7	K68	K68-L72 PolarHBondContact O-N 2.88Å
73	T	32.4	Very low	31.5	Very low	64 Å²	64	122.3 Å²	122.3	39%	0.393	64%	0.644	S	S	.	*	H	α-helix	trans	-70.2	-38.5	173	40.7	0	0	0	0	112.4	D69 L70 V71 L76	D69-T73 PolarHBondContact O-OG1 3.37Å; L70-T73 WeakPolarHBondContact CA-OG1 3.49Å; L70-T73 PolarHBondContact O-OG1 3.32Å; V71-T73 VanDerWaalsContact C-N 3.33Å; T73-L76 PolarHBondContact O-N 3.25Å
74	N	26	Very low	30.9	Very low	96 Å²	96	120.9 Å²	120.9	51%	0.513	65%	0.65	S	S	.	*	H	α-helix	trans	-71.9	-28.5	177.4	-81.9	-52.3	0	0	0	114.4	L70 V71 L76 V77	L70-N74 WeakPolarHBondContact O-CB 3.23Å; L70-N74 PolarHBondContact O-N 3.28Å; L70-N74 VanDerWaalsContact O-N 3.1Å; L70-N74 PolarHBondContact O-ND2 3.45Å; V71-N74 PolarHBondContact O-N 3.15Å; N74-L76 PolarHBondContact O-N 3.28Å; N74-V77 CarbonylContact O-C 3.47Å; N74-V77 WeakPolarHBondContact O-CA 3.46Å; N74-V77 PolarHBondContact O-N 2.81Å; N74-V77 VanDerWaalsContact O-O 3.07Å
75	R	27.7	Very low	30.3	Very low	204 Å²	204	118.9 Å²	118.9	77%	0.77	65%	0.65	S	S	*	*	H	α-helix	trans	-68.2	-19.5	176.2	-79.7	-176.2	179.2	-172	0.2	113.6	V71 V77	V71-R75 HydrophobicContact CG1-CG 4.31Å; V71-R75 WeakPolarHBondContact O-CG 2.93Å; V71-R75 PolarHBondContact O-N 3.19Å; R75-V77 VanDerWaalsContact C-N 3.29Å
76	L	29.6	Very low	29.6	Very low	161 Å²	161	120.4 Å²	120.4	84%	0.843	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-11.8	169.4	-70.4	169.6	0	0	0	112.6	T73 N74	T73-L76 PolarHBondContact O-N 3.25Å; N74-L76 PolarHBondContact O-N 3.28Å
77	V	29	Very low	29	Very low	98 Å²	98	128.4 Å²	128.4	59%	0.594	68%	0.676	S	S	*	*			trans	-105	87.4	177.4	-174.2	0	0	0	0	108	N74 R75	N74-V77 CarbonylContact O-C 3.47Å; N74-V77 WeakPolarHBondContact O-CA 3.46Å; N74-V77 PolarHBondContact O-N 2.81Å; N74-V77 VanDerWaalsContact O-O 3.07Å; R75-V77 VanDerWaalsContact C-N 3.29Å
78	Q	25.9	Very low	28.4	Very low	169 Å²	169	133.2 Å²	133.2	79%	0.79	69%	0.686	S	S	*	*			trans	-62.9	137.3	160.6	-81.3	-162.2	4.7	0	0	108.8	V80	Q78-V80 PolarHBondContact O-N 2.86Å; Q78-V80 VanDerWaalsContact O-N 3.13Å
79	P	27.3	Very low	27.8	Very low	114 Å²	114	130 Å²	130	74%	0.74	69%	0.685	S	S	*	*			trans	-66.3	114.6	-178.8	25.7	-31.6	0	0	0	109.6	E81	P79-E81 VanDerWaalsContact C-N 3.35Å; P79-E81 PolarHBondContact O-N 2.74Å; P79-E81 VanDerWaalsContact O-N 3.07Å
80	V	33.2	Very low	27.3	Very low	122 Å²	122	134.8 Å²	134.8	74%	0.739	71%	0.705	S	S	*	*			trans	-72.7	97.1	161.9	170.3	0	0	0	0	106.6	Q78 S82	Q78-V80 PolarHBondContact O-N 2.86Å; Q78-V80 VanDerWaalsContact O-N 3.13Å; V80-S82 PolarHBondContact O-N 3.48Å; V80-S82 VanDerWaalsContact O-N 3.08Å; V80-S82 PolarHBondContact O-OG 2.76Å
81	E	25.7	Very low	26.9	Very low	189 Å²	189	138.9 Å²	138.9	88%	0.883	72%	0.722	S	S	*	*			trans	-54.3	110.9	158.1	-74.9	-177.3	159.6	0	0	107.5	P79	P79-E81 VanDerWaalsContact C-N 3.35Å; P79-E81 PolarHBondContact O-N 2.74Å; P79-E81 VanDerWaalsContact O-N 3.07Å
82	S	28	Very low	26.4	Very low	98 Å²	98	141.8 Å²	141.8	69%	0.685	74%	0.74	S	S	*	*			trans	-132.1	99.6	168	23.7	0	0	0	0	108.7	V80	V80-S82 PolarHBondContact O-N 3.48Å; V80-S82 VanDerWaalsContact O-N 3.08Å; V80-S82 PolarHBondContact O-OG 2.76Å
83	S	25.1	Very low	26	Very low	116 Å²	116	142 Å²	142	81%	0.811	75%	0.746	S	S	*	*			trans	-59.9	141.1	166	30.6	0	0	0	0	111.4
84	N	27	Very low	25.5	Very low	156 Å²	156	145 Å²	145	83%	0.834	77%	0.765	S	S	*	*			trans	-35	136.7	171.8	-50.5	-37.2	0	0	0	115.6
85	V	27	Very low	25.4	Very low	133 Å²	133	150.4 Å²	150.4	81%	0.806	78%	0.784	S	S	*	*				158	110.3	120.6	167.2	0	0	0	0	111.2
86	T	23.3	Very low	25.1	Very low	105 Å²	105	144.1 Å²	144.1	64%	0.644	78%	0.783	S	S	*	*			trans	19.8	118.3	139.5	-46.5	0	0	0	0	121.2
87	R	23.3	Very low	24.9	Very low	218 Å²	218	147.4 Å²	147.4	82%	0.823	79%	0.785	S	S	*	*			trans	63.9	108.2	148.7	-67.5	171.7	-167.1	160.5	2.3	118.3
88	Y	22.2	Very low	24.5	Very low	241 Å²	241	148.4 Å²	148.4	95%	0.945	80%	0.795	S	S	*	*				-148.3	129.7	126.2	-89.7	-76.2	0	0	0	110.9
89	S	22.4	Very low	24.5	Very low	103 Å²	103	144 Å²	144	72%	0.72	78%	0.782	S	S	*	*			trans	-69.8	150.6	164.1	-167	0	0	0	0	109.3
90	Q	23.7	Very low	24.3	Very low	170 Å²	170	149.6 Å²	149.6	79%	0.794	79%	0.789	S	S	*	*			trans	74	104.7	171.3	-53.5	179.8	-26.2	0	0	116.6
91	Q	22.6	Very low	24.1	Very low	178 Å²	178	146 Å²	146	83%	0.832	77%	0.769	S	S	*	*				178.8	134.5	104.1	-94.7	169.7	28.7	0	0	111.8
92	T	21.8	Very low	24	Very low	121 Å²	121	142 Å²	142	74%	0.742	75%	0.753	S	S	*	*			trans	-22.2	124.9	151.4	44.4	0	0	0	0	114.8
93	T	23.1	Very low	24.1	Very low	126 Å²	126	141.9 Å²	141.9	77%	0.773	75%	0.749	S	S	*	*				173.4	115.3	124.9	31.8	0	0	0	0	109.9
94	T	22.9	Very low	24	Very low	127 Å²	127	140 Å²	140	78%	0.779	74%	0.74	S	S	*	*			trans	17.4	105.5	139.8	48.2	0	0	0	0	117.3
95	K	22.7	Very low	24	Very low	210 Å²	210	135.3 Å²	135.3	91%	0.913	72%	0.723	S	S	*	*			trans	-167.5	107.8	143.3	-106.7	161.2	-172.8	-178	0	110.7
96	G	21.3	Very low	24.3	Very low	72 Å²	72	130.5 Å²	130.5	74%	0.742	69%	0.694	S	S	*	*			trans	38.4	106.9	152.4	0	0	0	0	0	118.1	C98	G96-C98 PolarHBondContact O-N 2.85Å
97	Y	25.4	Very low	24.7	Very low	229 Å²	229	129.9 Å²	129.9	90%	0.898	69%	0.686	S	S	*	*			trans	-52.2	103.6	166.2	-67.1	-89.5	0	0	0	110.8	C99	Y97-C99 PolarHBondContact O-N 2.89Å; Y97-C99 VanDerWaalsContact O-N 3.12Å
98	C	21.6	Very low	25.1	Very low	119 Å²	119	126.8 Å²	126.8	80%	0.804	69%	0.686	S	S	*	*			trans	-70.2	102.8	164.5	-163	0	0	0	0	106.3	G96 R100	G96-C98 PolarHBondContact O-N 2.85Å; C98-R100 VanDerWaalsContact C-N 3.32Å; C98-R100 PolarHBondContact O-N 3.22Å
99	C	25.6	Very low	25.7	Very low	77 Å²	77	120.1 Å²	120.1	52%	0.52	67%	0.667	S	S	.	*			trans	-63.9	92.3	-175.6	-64	0	0	0	0	109.4	Y97 S101	Y97-C99 PolarHBondContact O-N 2.89Å; Y97-C99 VanDerWaalsContact O-N 3.12Å; C99-S101 PolarHBondContact O-N 2.92Å
100	R	22.6	Very low	26.4	Very low	231 Å²	231	119.1 Å²	119.1	87%	0.872	65%	0.65	S	S	*	*			trans	-62.4	77.4	168	-81.8	178.9	158	-171.8	-4.6	109.4	C98 N102	C98-R100 VanDerWaalsContact C-N 3.32Å; C98-R100 PolarHBondContact O-N 3.22Å; R100-N102 VanDerWaalsContact C-N 3.26Å; R100-N102 PolarHBondContact O-N 2.94Å; R100-N102 VanDerWaalsContact O-N 3.08Å
101	S	28.6	Very low	27	Very low	46 Å²	46	117.3 Å²	117.3	32%	0.322	65%	0.645	S	S	.	*			trans	-84.2	71.1	171.9	-71.2	0	0	0	0	110.3	C99 V103	C99-S101 PolarHBondContact O-N 2.92Å; S101-V103 PolarHBondContact O-N 3.43Å
102	N	24.3	Very low	27.6	Very low	105 Å²	105	115.3 Å²	115.3	56%	0.561	64%	0.636	S	S	*	*			trans	-76.1	103.8	162.7	-82.4	-21.2	0	0	0	107.3	R100 A104 A105 V106	R100-N102 VanDerWaalsContact C-N 3.26Å; R100-N102 PolarHBondContact O-N 2.94Å; R100-N102 VanDerWaalsContact O-N 3.08Å; N102-A104 PolarHBondContact O-N 2.94Å; N102-A105 HydrophobicContact CB-CB 3.54Å; N102-A105 WeakPolarHBondContact O-CA 3.38Å; N102-A105 PolarHBondContact O-N 3.29Å; N102-V106 PolarHBondContact O-N 2.94Å
103	V	29	Very low	28.4	Very low	97 Å²	97	111.9 Å²	111.9	59%	0.588	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.3	-23.7	171.9	178.6	0	0	0	0	111.7	S101 V106	S101-V103 PolarHBondContact O-N 3.43Å; V103-V106 WeakPolarHBondContact O-CB 3.31Å
104	A	24.3	Very low	29.2	Very low	77 Å²	77	107.4 Å²	107.4	64%	0.636	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-25.6	172.2	0	0	0	0	0	114.6	N102 V106 L107	N102-A104 PolarHBondContact O-N 2.94Å; A104-V106 VanDerWaalsContact C-N 3.33Å; A104-L107 WeakPolarHBondContact O-CD1 3.45Å
105	A	26	Very low	30	Very low	56 Å²	56	106.8 Å²	106.8	46%	0.463	57%	0.572	S	S	.	*	G	3₁₀ helix	trans	-83.5	-10.6	175.2	0	0	0	0	0	113.1	N102 L107	N102-A105 HydrophobicContact CB-CB 3.54Å; N102-A105 WeakPolarHBondContact O-CA 3.38Å; N102-A105 PolarHBondContact O-N 3.29Å; A105-L107 PolarHBondContact O-N 3.45Å; A105-L107 VanDerWaalsContact O-N 3.12Å
106	V	33	Very low	31.1	Very low	33 Å²	33	98.2 Å²	98.2	20%	0.2	54%	0.536	C	S	.	.	G	3₁₀ helix	trans	-58.6	-17.5	169	177.8	0	0	0	0	111.9	N102 V103 A104 Y113	N102-V106 PolarHBondContact O-N 2.94Å; V103-V106 WeakPolarHBondContact O-CB 3.31Å; A104-V106 VanDerWaalsContact C-N 3.33Å; V106-Y113 HydrophobicContact CG1-CD1 4.39Å; V106-Y113 HydrophobicContact CG1-CG 4.43Å; V106-Y113 HydrophobicContact CG2-CD1 4.12Å; V106-Y113 HydrophobicContact CG2-CD2 3.77Å; V106-Y113 HydrophobicContact CG2-CE1 4.23Å; V106-Y113 HydrophobicContact CG2-CE2 3.92Å; V106-Y113 HydrophobicContact CG2-CG 3.88Å
107	L	31.9	Very low	32.4	Very low	91 Å²	91	95 Å²	95	48%	0.476	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-72.9	-26.8	-174.1	-70.6	167.7	0	0	0	114.6	R26 A104 A105 H110	R26-L107 VanDerWaalsContact NH2-CD2 3.26Å; A104-L107 WeakPolarHBondContact O-CD1 3.45Å; A105-L107 PolarHBondContact O-N 3.45Å; A105-L107 VanDerWaalsContact O-N 3.12Å; L107-H110 PolarHBondContact O-CD2 2.87Å
108	D	33.2	Very low	33.2	Very low	154 Å²	154	84.8 Å²	84.8	82%	0.824	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.1	-21.6	-179	-78.2	-27.5	0	0	0	114.6	H110	D108-H110 PolarHBondContact O-N 2.98Å
109	N	33.1	Very low	34.4	Very low	101 Å²	101	82.3 Å²	82.3	54%	0.54	44%	0.44	S	S	.	.			trans	-101.4	61.9	174.5	-73.7	-6.7	0	0	0	111	L111 E112	N109-L111 PolarHBondContact O-N 2.74Å; N109-L111 VanDerWaalsContact O-N 3.08Å; N109-E112 PolarHBondContact O-N 3.32Å
110	H	36.7	Very low	35.6	Very low	82 Å²	82	81.8 Å²	81.8	38%	0.38	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-8.8	-165.5	-115.5	-65.7	0	0	0	116	R26 L107 D108	R26-H110 PolarHBondContact NH1-CE1 3.04Å; R26-H110 PolarHBondContact NH1-NE2 3.3Å; R26-H110 VanDerWaalsContact NH1-NE2 3.11Å; L107-H110 PolarHBondContact O-CD2 2.87Å; D108-H110 PolarHBondContact O-N 2.98Å
111	L	36.3	Very low	36.6	Very low	131 Å²	131	70.9 Å²	70.9	69%	0.686	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-31.5	179.9	-119	92.3	0	0	0	114.6	N109 Y113 E114	N109-L111 PolarHBondContact O-N 2.74Å; N109-L111 VanDerWaalsContact O-N 3.08Å; L111-Y113 PolarHBondContact O-N 3.28Å; L111-E114 PolarHBondContact O-N 3.08Å
112	E	35.6	Very low	37.3	Very low	136 Å²	136	72.7 Å²	72.7	64%	0.636	39%	0.386	S	S	*	.	H	α-helix	trans	-72.7	-31.6	-173	-67.2	-177.5	162.1	0	0	111.9	N109 L115 D116	N109-E112 PolarHBondContact O-N 3.32Å; E112-L115 PolarHBondContact O-N 2.72Å; E112-D116 PolarHBondContact O-N 3.49Å; E112-D116 VanDerWaalsContact O-N 3.15Å
113	Y	40.1	Very low	38.3	Very low	50 Å²	50	74.8 Å²	74.8	20%	0.196	39%	0.386	C	S	.	.	H	α-helix	trans	-73.4	-31.2	179.1	-153.2	-101.3	0	0	0	112.9	V106 L111 L115 D116 I117	V106-Y113 HydrophobicContact CG1-CD1 4.39Å; V106-Y113 HydrophobicContact CG1-CG 4.43Å; V106-Y113 HydrophobicContact CG2-CD1 4.12Å; V106-Y113 HydrophobicContact CG2-CD2 3.77Å; V106-Y113 HydrophobicContact CG2-CE1 4.23Å; V106-Y113 HydrophobicContact CG2-CE2 3.92Å; V106-Y113 HydrophobicContact CG2-CG 3.88Å; L111-Y113 PolarHBondContact O-N 3.28Å; Y113-L115 VanDerWaalsContact C-N 3.32Å; Y113-D116 PolarHBondContact O-N 3.08Å; Y113-I117 HydrophobicContact CD1-CD1 3.91Å; Y113-I117 HydrophobicContact CE1-CD1 3.59Å; Y113-I117 HydrophobicContact CE1-CG1 4.29Å; Y113-I117 PolarHBondContact O-N 2.85Å
114	E	38.2	Very low	39.1	Very low	32 Å²	32	70.5 Å²	70.5	15%	0.15	36%	0.359	C	S	.	.	H	α-helix	trans	-62.1	-44.7	173.1	-67	-168.4	160.8	0	0	109.7	L111 C118 I142 V144	L111-E114 PolarHBondContact O-N 3.08Å; E114-C118 WeakPolarHBondContact O-CB 3.17Å; E114-C118 PolarHBondContact O-N 3.47Å; E114-C118 PolarHBondContact O-SG 2.66Å; E114-I142 HydrophobicContact CB-CD1 4.48Å; E114-I142 HydrophobicContact CG-CD1 4.48Å; E114-V144 WeakPolarHBondContact OE1-CG2 3.46Å
115	L	40	Very low	40	Very low	114 Å²	114	68.1 Å²	68.1	60%	0.597	34%	0.336	S	S	*	.	H	α-helix	trans	-66.9	-36.6	178.9	-69.6	171.7	0	0	0	113.2	E112 Y113 C118 E119	E112-L115 PolarHBondContact O-N 2.72Å; Y113-L115 VanDerWaalsContact C-N 3.32Å; L115-C118 CarbonylContact O-C 3.53Å; L115-C118 WeakPolarHBondContact O-CB 3.38Å; L115-C118 PolarHBondContact O-N 3.42Å; L115-E119 WeakPolarHBondContact O-CB 3.48Å; L115-E119 PolarHBondContact O-N 2.82Å
116	D	47.2	Very low	40.7	Very low	30 Å²	30	67 Å²	67	16%	0.16	33%	0.325	C	S	.	.	H	α-helix	trans	-68.8	-42.8	-177.9	-177.3	48.1	0	0	0	113	E112 Y113 C118 E119 R120	E112-D116 PolarHBondContact O-N 3.49Å; E112-D116 VanDerWaalsContact O-N 3.15Å; Y113-D116 PolarHBondContact O-N 3.08Å; D116-C118 PolarHBondContact O-N 3.1Å; D116-E119 PolarHBondContact O-N 3.35Å; D116-R120 WeakPolarHBondContact O-CB 3.28Å; D116-R120 WeakPolarHBondContact O-CG 3.36Å; D116-R120 PolarHBondContact O-N 2.7Å; D116-R120 IonicContact OD1-NE 3.96Å; D116-R120 IonicContact OD2-CZ 3.66Å; D116-R120 VanDerWaalsContact OD2-CZ 3.29Å; D116-R120 IonicContact OD2-NE 3.29Å; D116-R120 PolarHBondContact OD2-NE 3.27Å; D116-R120 VanDerWaalsContact OD2-NE 3.1Å; D116-R120 IonicContact OD2-NH2 3.79Å; D116-R120 PolarHBondContact OD2-NH2 3.08Å
117	I	47.9	Very low	41.2	Very low	5 Å²	5	67.8 Å²	67.8	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-64	-37.1	172.9	-69.5	170.9	0	0	0	110.2	F12 L16 T19 Y113 R120 F121	F12-I117 HydrophobicContact CE2-CG2 4.47Å; L16-I117 HydrophobicContact CD1-CG2 3.86Å; T19-I117 HydrophobicContact CG2-CD1 3.82Å; T19-I117 WeakPolarHBondContact OG1-CD1 3.44Å; Y113-I117 HydrophobicContact CD1-CD1 3.91Å; Y113-I117 HydrophobicContact CE1-CD1 3.59Å; Y113-I117 HydrophobicContact CE1-CG1 4.29Å; Y113-I117 PolarHBondContact O-N 2.85Å; I117-R120 PolarHBondContact O-N 2.73Å; I117-F121 VanDerWaalsContact O-CB 3.28Å; I117-F121 WeakPolarHBondContact O-CB 2.92Å; I117-F121 PolarHBondContact O-N 3.35Å
118	C	42.7	Very low	41.2	Very low	13 Å²	13	68.6 Å²	68.6	9%	0.088	34%	0.342	C	S	.	.	H	α-helix	trans	-67.6	-38.2	177.1	-64.6	0	0	0	0	112.6	E114 L115 D116 F121 W122 I140	E114-C118 WeakPolarHBondContact O-CB 3.17Å; E114-C118 PolarHBondContact O-N 3.47Å; E114-C118 PolarHBondContact O-SG 2.66Å; L115-C118 CarbonylContact O-C 3.53Å; L115-C118 WeakPolarHBondContact O-CB 3.38Å; L115-C118 PolarHBondContact O-N 3.42Å; D116-C118 PolarHBondContact O-N 3.1Å; C118-F121 WeakPolarHBondContact O-CB 3.17Å; C118-F121 PolarHBondContact O-N 3.48Å; C118-W122 PolarHBondContact O-N 3.5Å; C118-I140 HydrophobicContact CB-CB 3.9Å; C118-I140 HydrophobicContact CB-CD1 3.48Å; C118-I140 VanDerWaalsContact CB-CD1 3.48Å; C118-I140 HydrophobicContact CB-CG1 3.92Å; C118-I140 WeakPolarHBondContact SG-CB 3.39Å
119	E	45.4	Very low	41.2	Very low	68 Å²	68	65.7 Å²	65.7	32%	0.318	33%	0.333	S	S	.	.	H	α-helix	trans	-66.1	-46.6	173.6	-171.8	-173.9	153.2	0	0	110.6	L115 D116 F121 W122 R123	L115-E119 WeakPolarHBondContact O-CB 3.48Å; L115-E119 PolarHBondContact O-N 2.82Å; D116-E119 PolarHBondContact O-N 3.35Å; E119-F121 VanDerWaalsContact C-N 3.26Å; E119-F121 PolarHBondContact O-N 2.91Å; E119-W122 PolarHBondContact O-N 3.33Å; E119-W122 VanDerWaalsContact O-N 3.14Å; E119-R123 WeakPolarHBondContact O-CG 3.37Å; E119-R123 PolarHBondContact O-N 2.8Å; E119-R123 IonicContact OE1-CZ 3.1Å; E119-R123 IonicContact OE1-NE 2.66Å; E119-R123 IonicContact OE1-NH1 3.2Å; E119-R123 IonicContact OE1-NH2 2.7Å; E119-R123 PolarHBondContact OE1-NH2 2.88Å
120	R	50.5	Low	41.2	Very low	66 Å²	66	69 Å²	69	25%	0.249	35%	0.346	C	S	.	.	H	α-helix	trans	-59.3	-39.4	173.6	-73.6	-169.1	-118.4	161.2	2.1	111.4	E15 D116 I117 R123 F124	E15-R120 IonicContact OE1-CZ 3.65Å; E15-R120 IonicContact OE1-NH1 2.74Å; E15-R120 PolarHBondContact OE1-NH1 3.23Å; E15-R120 IonicContact OE1-NH2 3.85Å; E15-R120 IonicContact OE2-NH1 3.66Å; D116-R120 WeakPolarHBondContact O-CB 3.28Å; D116-R120 WeakPolarHBondContact O-CG 3.36Å; D116-R120 PolarHBondContact O-N 2.7Å; D116-R120 IonicContact OD1-NE 3.96Å; D116-R120 IonicContact OD2-CZ 3.66Å; D116-R120 VanDerWaalsContact OD2-CZ 3.29Å; D116-R120 IonicContact OD2-NE 3.29Å; D116-R120 PolarHBondContact OD2-NE 3.27Å; D116-R120 VanDerWaalsContact OD2-NE 3.1Å; D116-R120 IonicContact OD2-NH2 3.79Å; D116-R120 PolarHBondContact OD2-NH2 3.08Å; I117-R120 PolarHBondContact O-N 2.73Å; R120-R123 PolarHBondContact O-N 2.79Å; R120-F124 VanDerWaalsContact O-CB 3.31Å; R120-F124 WeakPolarHBondContact O-CB 3.31Å; R120-F124 PolarHBondContact O-N 3.16Å
121	F	45.1	Very low	40.7	Very low	2 Å²	2	75 Å²	75	1%	0.009	37%	0.366	C	S	.	.	H	α-helix	trans	-66.6	-37.9	174.9	-174.4	-108.9	0	0	0	113.5	F12 T37 A41 I117 C118 E119 F124 N125 I140	F12-F121 AromaticContact CD1-CD2 3.84Å; F12-F121 HydrophobicContact CD1-CD2 3.84Å; F12-F121 HydrophobicContact CD1-CE2 4.12Å; F12-F121 HydrophobicContact CE1-CB 4.35Å; F12-F121 AromaticContact CE1-CD2 2.97Å; F12-F121 HydrophobicContact CE1-CD2 2.97Å; F12-F121 AromaticContact CE1-CE2 3.39Å; F12-F121 HydrophobicContact CE1-CE2 3.39Å; F12-F121 AromaticContact CE1-CG 3.99Å; F12-F121 HydrophobicContact CE1-CG 3.99Å; F12-F121 HydrophobicContact CE2-CB 3.83Å; F12-F121 AromaticContact CE2-CD2 3.88Å; F12-F121 HydrophobicContact CE2-CD2 3.88Å; F12-F121 HydrophobicContact CE2-CG 4.34Å; F12-F121 HydrophobicContact CZ-CB 3.48Å; F12-F121 VanDerWaalsContact CZ-CB 3.48Å; F12-F121 AromaticContact CZ-CD2 3.02Å; F12-F121 HydrophobicContact CZ-CD2 3.02Å; F12-F121 AromaticContact CZ-CE2 3.92Å; F12-F121 HydrophobicContact CZ-CE2 3.92Å; F12-F121 AromaticContact CZ-CG 3.6Å; F12-F121 HydrophobicContact CZ-CG 3.6Å; T37-F121 HydrophobicContact CG2-CD1 3.42Å; T37-F121 VanDerWaalsContact CG2-CD1 3.42Å; T37-F121 HydrophobicContact CG2-CE1 3.05Å; T37-F121 HydrophobicContact CG2-CZ 3.99Å; T37-F121 VanDerWaalsContact O-CE1 3.24Å; T37-F121 WeakPolarHBondContact O-CE1 3.35Å; T37-F121 WeakPolarHBondContact O-CZ 3.33Å; A41-F121 HydrophobicContact CB-CE2 3.51Å; A41-F121 HydrophobicContact CB-CZ 3.29Å; I117-F121 VanDerWaalsContact O-CB 3.28Å; I117-F121 WeakPolarHBondContact O-CB 2.92Å; I117-F121 PolarHBondContact O-N 3.35Å; C118-F121 WeakPolarHBondContact O-CB 3.17Å; C118-F121 PolarHBondContact O-N 3.48Å; E119-F121 VanDerWaalsContact C-N 3.26Å; E119-F121 PolarHBondContact O-N 2.91Å; F121-F124 AromaticContact CD2-CD1 3.92Å; F121-F124 HydrophobicContact CD2-CD1 3.92Å; F121-F124 AromaticContact CE2-CD1 3.88Å; F121-F124 HydrophobicContact CE2-CD1 3.88Å; F121-F124 HydrophobicContact CE2-CE1 4.27Å; F121-F124 VanDerWaalsContact O-CB 3.31Å; F121-F124 WeakPolarHBondContact O-CB 3.29Å; F121-F124 PolarHBondContact O-N 3.35Å; F121-N125 WeakPolarHBondContact CD1-ND2 3.32Å; F121-N125 WeakPolarHBondContact CD2-ND2 3.34Å; F121-N125 WeakPolarHBondContact CE1-ND2 3.49Å; F121-N125 WeakPolarHBondContact CE2-ND2 3.45Å; F121-N125 WeakPolarHBondContact CZ-ND2 3.46Å; F121-N125 PolarHBondContact O-N 3.16Å; F121-N125 PolarHBondContact O-ND2 3.32Å; F121-I140 HydrophobicContact CB-CD1 4.04Å; F121-I140 HydrophobicContact CD1-CD1 3.54Å; F121-I140 HydrophobicContact CE1-CD1 4.45Å; F121-I140 HydrophobicContact CG-CD1 4.14Å
122	W	42.3	Very low	40.1	Very low	83 Å²	83	75.7 Å²	75.7	31%	0.314	37%	0.366	S	S	.	.	H	α-helix	trans	-69.2	-41.9	175.4	-169.7	-108.5	0	0	0	111	Y36 C118 E119 F124 N125 S126 V138	Y36-W122 HydrophobicContact CD1-CZ3 4.36Å; Y36-W122 HydrophobicContact CE1-CH2 4.13Å; Y36-W122 HydrophobicContact CE1-CZ3 4.03Å; C118-W122 PolarHBondContact O-N 3.5Å; E119-W122 PolarHBondContact O-N 3.33Å; E119-W122 VanDerWaalsContact O-N 3.14Å; W122-F124 PolarHBondContact O-N 3.44Å; W122-N125 PolarHBondContact O-N 2.95Å; W122-N125 VanDerWaalsContact O-N 3.08Å; W122-S126 WeakPolarHBondContact CZ2-OG 3.46Å; W122-S126 PolarHBondContact NE1-OG 3.37Å; W122-S126 WeakPolarHBondContact O-CB 3.43Å; W122-S126 PolarHBondContact O-N 2.94Å; W122-S126 PolarHBondContact O-OG 3.44Å; W122-V138 HydrophobicContact CD2-CB 4.36Å; W122-V138 HydrophobicContact CD2-CG1 4.11Å; W122-V138 HydrophobicContact CD2-CG2 4.05Å; W122-V138 HydrophobicContact CE3-CB 4.21Å; W122-V138 HydrophobicContact CE3-CG1 3.53Å; W122-V138 HydrophobicContact CE3-CG2 3.95Å; W122-V138 HydrophobicContact CH2-CG1 4.34Å; W122-V138 HydrophobicContact CH2-CG2 3.43Å; W122-V138 VanDerWaalsContact CH2-CG2 3.43Å; W122-V138 HydrophobicContact CZ2-CG2 3.55Å; W122-V138 HydrophobicContact CZ3-CB 4.26Å; W122-V138 HydrophobicContact CZ3-CG1 3.65Å; W122-V138 HydrophobicContact CZ3-CG2 3.63Å
123	R	46.8	Very low	39.7	Very low	150 Å²	150	77 Å²	77	57%	0.566	37%	0.37	S	S	*	.	H	α-helix	trans	-57.8	-39.4	170.4	-72.6	-175.6	177.3	162.7	8	111.7	E119 R120 N125	E119-R123 WeakPolarHBondContact O-CG 3.37Å; E119-R123 PolarHBondContact O-N 2.8Å; E119-R123 IonicContact OE1-CZ 3.1Å; E119-R123 IonicContact OE1-NE 2.66Å; E119-R123 IonicContact OE1-NH1 3.2Å; E119-R123 IonicContact OE1-NH2 2.7Å; E119-R123 PolarHBondContact OE1-NH2 2.88Å; R120-R123 PolarHBondContact O-N 2.79Å; R123-N125 VanDerWaalsContact C-N 3.35Å; R123-N125 PolarHBondContact O-N 3.1Å
124	F	45.2	Very low	39	Very low	7 Å²	7	77.8 Å²	77.8	3%	0.031	38%	0.383	C	S	.	.	H	α-helix	trans	-61.2	-37.9	173.9	173.2	-98.2	0	0	0	112.9	W4 V9 F12 K44 R120 F121 W122	W4-F124 AromaticContact CD2-CD2 3.61Å; W4-F124 HydrophobicContact CD2-CD2 3.61Å; W4-F124 AromaticContact CD2-CE2 3.92Å; W4-F124 HydrophobicContact CD2-CE2 3.92Å; W4-F124 AromaticContact CE2-CD2 3.94Å; W4-F124 AromaticContact CE3-CD2 3.31Å; W4-F124 HydrophobicContact CE3-CD2 3.31Å; W4-F124 AromaticContact CE3-CE2 3.48Å; W4-F124 HydrophobicContact CE3-CE2 3.48Å; W4-F124 VanDerWaalsContact CE3-CE2 3.48Å; W4-F124 HydrophobicContact CG-CD2 4.38Å; W4-F124 HydrophobicContact CG-CE2 4.42Å; W4-F124 HydrophobicContact CH2-CB 4.29Å; W4-F124 AromaticContact CH2-CD2 3.79Å; W4-F124 HydrophobicContact CH2-CD2 3.79Å; W4-F124 HydrophobicContact CZ2-CB 4.32Å; W4-F124 HydrophobicContact CZ2-CD2 4.03Å; W4-F124 AromaticContact CZ3-CD2 3.43Å; W4-F124 HydrophobicContact CZ3-CD2 3.43Å; W4-F124 VanDerWaalsContact CZ3-CD2 3.43Å; W4-F124 AromaticContact CZ3-CE2 3.95Å; W4-F124 HydrophobicContact CZ3-CE2 3.95Å; W4-F124 HydrophobicContact CZ3-CG 4.49Å; V9-F124 HydrophobicContact CB-CE2 4.31Å; V9-F124 HydrophobicContact CB-CZ 4.15Å; V9-F124 HydrophobicContact CG1-CZ 3.94Å; V9-F124 HydrophobicContact CG2-CE2 3.81Å; V9-F124 HydrophobicContact CG2-CZ 3.79Å; F12-F124 HydrophobicContact CD1-CD1 4.39Å; F12-F124 HydrophobicContact CD1-CE1 4.44Å; F12-F124 HydrophobicContact CG-CD2 4.5Å; F12-F124 HydrophobicContact CG-CG 4.49Å; K44-F124 HydrophobicContact CB-CE1 4.39Å; K44-F124 HydrophobicContact CB-CZ 4.27Å; K44-F124 HydrophobicContact CD-CD1 4.44Å; K44-F124 HydrophobicContact CD-CE1 3.73Å; K44-F124 HydrophobicContact CD-CZ 3.87Å; K44-F124 PolarHBondContact NZ-O 2.95Å; R120-F124 VanDerWaalsContact O-CB 3.31Å; R120-F124 WeakPolarHBondContact O-CB 3.31Å; R120-F124 PolarHBondContact O-N 3.16Å; F121-F124 AromaticContact CD2-CD1 3.92Å; F121-F124 HydrophobicContact CD2-CD1 3.92Å; F121-F124 AromaticContact CE2-CD1 3.88Å; F121-F124 HydrophobicContact CE2-CD1 3.88Å; F121-F124 HydrophobicContact CE2-CE1 4.27Å; F121-F124 VanDerWaalsContact O-CB 3.31Å; F121-F124 WeakPolarHBondContact O-CB 3.29Å; F121-F124 PolarHBondContact O-N 3.35Å; W122-F124 PolarHBondContact O-N 3.44Å
125	N	42	Very low	38.6	Very low	26 Å²	26	80.9 Å²	80.9	14%	0.139	41%	0.408	C	S	.	.	H	α-helix	trans	-88.5	-44.8	-177.8	-77.1	-67.8	0	0	0	114.4	A40 K44 F121 W122 R123	A40-N125 VanDerWaalsContact C-OD1 3.26Å; A40-N125 HydrophobicContact CB-CB 4.27Å; A40-N125 VanDerWaalsContact CB-OD1 3.23Å; A40-N125 WeakPolarHBondContact CB-OD1 3.46Å; A40-N125 PolarHBondContact O-OD1 3.1Å; K44-N125 PolarHBondContact NZ-O 3.42Å; F121-N125 WeakPolarHBondContact CD1-ND2 3.32Å; F121-N125 WeakPolarHBondContact CD2-ND2 3.34Å; F121-N125 WeakPolarHBondContact CE1-ND2 3.49Å; F121-N125 WeakPolarHBondContact CE2-ND2 3.45Å; F121-N125 WeakPolarHBondContact CZ-ND2 3.46Å; F121-N125 PolarHBondContact O-N 3.16Å; F121-N125 PolarHBondContact O-ND2 3.32Å; W122-N125 PolarHBondContact O-N 2.95Å; W122-N125 VanDerWaalsContact O-N 3.08Å; R123-N125 VanDerWaalsContact C-N 3.35Å; R123-N125 PolarHBondContact O-N 3.1Å
126	S	41.3	Very low	37.8	Very low	34 Å²	34	82.3 Å²	82.3	24%	0.238	42%	0.417	C	S	.	.	H	α-helix	trans	-83.3	-29.7	-163.2	-60	0	0	0	0	113.2	W122 M128	W122-S126 WeakPolarHBondContact CZ2-OG 3.46Å; W122-S126 PolarHBondContact NE1-OG 3.37Å; W122-S126 WeakPolarHBondContact O-CB 3.43Å; W122-S126 PolarHBondContact O-N 2.94Å; W122-S126 PolarHBondContact O-OG 3.44Å; S126-M128 VanDerWaalsContact O-CG 3.32Å; S126-M128 WeakPolarHBondContact O-CG 3.31Å; S126-M128 PolarHBondContact O-N 2.93Å
127	G	44.5	Very low	36.7	Very low	49 Å²	49	91.8 Å²	91.8	51%	0.505	45%	0.45	S	S	.	.			trans	54.2	14.2	-172	0	0	0	0	0	113.8
128	M	31.2	Very low	35.8	Very low	108 Å²	108	94 Å²	94	53%	0.532	46%	0.463	S	S	.	.			trans	-87.3	139.5	-172.5	-71.5	-86.3	-84.8	0	0	109.3	S126 E132	S126-M128 VanDerWaalsContact O-CG 3.32Å; S126-M128 WeakPolarHBondContact O-CG 3.31Å; S126-M128 PolarHBondContact O-N 2.93Å; M128-E132 WeakPolarHBondContact CE-OE2 3.5Å
129	S	32.8	Very low	35.1	Very low	92 Å²	92	96.7 Å²	96.7	64%	0.643	49%	0.487	S	S	*	.			trans	-60	155.1	175	58.5	0	0	0	0	111	Y131	S129-Y131 PolarHBondContact O-N 3.12Å
130	E	33.6	Very low	34.5	Very low	170 Å²	170	94.4 Å²	94.4	79%	0.794	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-0.1	-170.5	-64.4	175.3	150.7	0	0	116.8
131	Y	26.6	Very low	33.5	Very low	208 Å²	208	91.7 Å²	91.7	82%	0.816	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-2.2	-166.7	-76.4	-82.4	0	0	0	116.6	S129	S129-Y131 PolarHBondContact O-N 3.12Å
132	E	24.1	Very low	32.9	Very low	146 Å²	146	92.6 Å²	92.6	68%	0.682	47%	0.474	S	S	*	.			trans	-115	41.4	177.8	-74.1	-168.2	169.7	0	0	113.9	M128 S134	M128-E132 WeakPolarHBondContact CE-OE2 3.5Å; E132-S134 PolarHBondContact O-N 2.93Å
133	F	26.4	Very low	32.3	Very low	163 Å²	163	90.1 Å²	90.1	72%	0.715	47%	0.47	S	S	*	.			trans	-81.7	87.7	165.7	-164.4	-92.1	0	0	0	109.9
134	S	25.2	Very low	31.5	Very low	68 Å²	68	85.9 Å²	85.9	48%	0.476	46%	0.461	S	S	.	.			trans	-102.9	118.7	158.5	174.6	0	0	0	0	108	E132 D136 R137	E132-S134 PolarHBondContact O-N 2.93Å; S134-D136 PolarHBondContact O-N 2.67Å; S134-R137 PolarHBondContact O-N 2.89Å
135	S	29	Very low	30.8	Very low	97 Å²	97	97 Å²	97	68%	0.678	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-14.7	178.3	-174.7	0	0	0	0	113.9
136	D	25	Very low	30.3	Very low	144 Å²	144	100.6 Å²	100.6	77%	0.77	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-21.9	-172.8	-66.1	-22.2	0	0	0	114.1	S134	S134-D136 PolarHBondContact O-N 2.67Å
137	R	24.2	Very low	29.7	Very low	228 Å²	228	104.1 Å²	104.1	86%	0.86	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-17.3	-165.9	-73.2	-164.7	169.4	-158.7	-2.2	117	S134	S134-R137 PolarHBondContact O-N 2.89Å
138	V	28.8	Very low	28.9	Very low	51 Å²	51	107.2 Å²	107.2	31%	0.309	54%	0.537	S	S	.	.			trans	-141.9	66.3	177.8	-163.3	0	0	0	0	110.9	W122 I140	W122-V138 HydrophobicContact CD2-CB 4.36Å; W122-V138 HydrophobicContact CD2-CG1 4.11Å; W122-V138 HydrophobicContact CD2-CG2 4.05Å; W122-V138 HydrophobicContact CE3-CB 4.21Å; W122-V138 HydrophobicContact CE3-CG1 3.53Å; W122-V138 HydrophobicContact CE3-CG2 3.95Å; W122-V138 HydrophobicContact CH2-CG1 4.34Å; W122-V138 HydrophobicContact CH2-CG2 3.43Å; W122-V138 VanDerWaalsContact CH2-CG2 3.43Å; W122-V138 HydrophobicContact CZ2-CG2 3.55Å; W122-V138 HydrophobicContact CZ3-CB 4.26Å; W122-V138 HydrophobicContact CZ3-CG1 3.65Å; W122-V138 HydrophobicContact CZ3-CG2 3.63Å; V138-I140 HydrophobicContact CG1-CG1 4.49Å; V138-I140 PolarHBondContact O-N 3.44Å; V138-I140 VanDerWaalsContact O-N 3.1Å
139	A	27.3	Very low	28.7	Very low	71 Å²	71	107.1 Å²	107.1	59%	0.587	54%	0.537	S	S	*	.			trans	-66.6	104	150.2	0	0	0	0	0	106.6	G141	A139-G141 PolarHBondContact O-N 3.3Å
140	I	32.2	Very low	28.5	Very low	19 Å²	19	108.1 Å²	108.1	10%	0.097	53%	0.531	C	S	.	.			trans	-63.3	83	142.8	-54.2	-178.5	0	0	0	103.2	T37 C118 F121 V138 I142	T37-I140 HydrophobicContact CG2-CB 4.46Å; T37-I140 HydrophobicContact CG2-CD1 3.47Å; T37-I140 VanDerWaalsContact CG2-CD1 3.47Å; T37-I140 HydrophobicContact CG2-CG1 3.57Å; T37-I140 HydrophobicContact CG2-CG2 4.21Å; C118-I140 HydrophobicContact CB-CB 3.9Å; C118-I140 HydrophobicContact CB-CD1 3.48Å; C118-I140 VanDerWaalsContact CB-CD1 3.48Å; C118-I140 HydrophobicContact CB-CG1 3.92Å; C118-I140 WeakPolarHBondContact SG-CB 3.39Å; F121-I140 HydrophobicContact CB-CD1 4.04Å; F121-I140 HydrophobicContact CD1-CD1 3.54Å; F121-I140 HydrophobicContact CE1-CD1 4.45Å; F121-I140 HydrophobicContact CG-CD1 4.14Å; V138-I140 HydrophobicContact CG1-CG1 4.49Å; V138-I140 PolarHBondContact O-N 3.44Å; V138-I140 VanDerWaalsContact O-N 3.1Å; I140-I142 HydrophobicContact CG2-CG1 4.22Å; I140-I142 PolarHBondContact O-N 2.8Å
141	G	29.6	Very low	28.2	Very low	10 Å²	10	103.9 Å²	103.9	10%	0.103	51%	0.513	C	S	.	.			trans	-67.9	99.6	174.2	0	0	0	0	0	104.4	K33 A139 S143	K33-G141 WeakPolarHBondContact CA-O 3.42Å; K33-G141 WeakPolarHBondContact CB-O 3.03Å; K33-G141 WeakPolarHBondContact CG-O 2.86Å; K33-G141 PolarHBondContact N-O 2.93Å; A139-G141 PolarHBondContact O-N 3.3Å; G141-S143 VanDerWaalsContact C-N 3.28Å; G141-S143 PolarHBondContact O-N 3.13Å; G141-S143 VanDerWaalsContact O-N 3.1Å
142	I	32.7	Very low	28.3	Very low	20 Å²	20	96.5 Å²	96.5	10%	0.103	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	105.2	155	-67.5	178.6	0	0	0	102.8	L20 V30 E114 I140 V144	L20-I142 HydrophobicContact CD2-CD1 4.4Å; V30-I142 HydrophobicContact CB-CG2 4.1Å; V30-I142 HydrophobicContact CG1-CG2 3.36Å; V30-I142 HydrophobicContact CG2-CG2 4.02Å; E114-I142 HydrophobicContact CB-CD1 4.48Å; E114-I142 HydrophobicContact CG-CD1 4.48Å; I140-I142 HydrophobicContact CG2-CG1 4.22Å; I140-I142 PolarHBondContact O-N 2.8Å; I142-V144 VanDerWaalsContact C-N 3.33Å; I142-V144 HydrophobicContact CG2-CG2 3.92Å; I142-V144 PolarHBondContact O-N 3.41Å
143	S	29.7	Very low	28.6	Very low	32 Å²	32	92.7 Å²	92.7	22%	0.224	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	99.6	170.9	-155.6	0	0	0	0	105.8	Q31 K33 G141 R145	Q31-S143 PolarHBondContact O-N 3.33Å; K33-S143 VanDerWaalsContact CE-CA 3.42Å; K33-S143 WeakPolarHBondContact CE-OG 3.22Å; G141-S143 VanDerWaalsContact C-N 3.28Å; G141-S143 PolarHBondContact O-N 3.13Å; G141-S143 VanDerWaalsContact O-N 3.1Å; S143-R145 PolarHBondContact O-N 3.08Å
144	V	29.4	Very low	28.8	Very low	61 Å²	61	86.8 Å²	86.8	37%	0.37	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	106.2	161.7	-173.8	0	0	0	0	106.2	R28 F29 V30 E114 I142	R28-V144 HydrophobicContact CB-CG1 4.1Å; R28-V144 HydrophobicContact CG-CG1 4.18Å; F29-V144 WeakPolarHBondContact O-CA 3.46Å; V30-V144 HydrophobicContact CG2-CG2 4.21Å; E114-V144 WeakPolarHBondContact OE1-CG2 3.46Å; I142-V144 VanDerWaalsContact C-N 3.33Å; I142-V144 HydrophobicContact CG2-CG2 3.92Å; I142-V144 PolarHBondContact O-N 3.41Å
145	R	32.3	Very low	29.1	Very low	241 Å²	241	88.5 Å²	88.5	91%	0.909	46%	0.456	S	S	*	.			trans	-95.6	0	163.1	-78.3	-170.5	-178.7	-178.2	1.3	109.3	F29 S143	F29-R145 HydrophobicContact CB-CB 4.28Å; F29-R145 PolarHBondContact N-O 3.11Å; F29-R145 PolarHBondContact O-N 3.07Å; S143-R145 PolarHBondContact O-N 3.08Å

Retrieved 145 of 145 residues in 87.4 ms (Link to these results)

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