A0A077ZJW7_TRITR Loading...

Serine

AlphaFold DB , UniProt , Accession A0A077ZJW7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 130 aa.

						>A0A077ZJW7_TRITR|A0A077ZJW7
MFFETSKVLMVWDTFSQNNSTEKQRPNEADENQHYVLICIERDAVTLIKRPEDLLKQLVVTLCILKKKFKFEHRDLHDGNILLKYKKTSTSQYVVKKMFSAKNICHFALFQLMLLTEKYINPTLTATCAT
					

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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	46	Very low	77.9	Confident	181 Å²	181	109.6 Å²	109.6	89%	0.892	56%	0.556	S	S	*	*				0	103.8	0	-170.9	173.6	-159.4	0	0	106.2	F3 L37	M1-F3 HydrophobicContact CB-CE2 4.3Å; M1-F3 HydrophobicContact CE-CZ 4.13Å; M1-F3 HydrophobicContact CG-CD2 4.44Å; M1-F3 HydrophobicContact CG-CE2 3.84Å; M1-F3 HydrophobicContact CG-CZ 4.12Å; M1-F3 PolarHBondContact O-N 3.17Å; M1-F3 HydrophobicContact SD-CE2 3.82Å; M1-F3 HydrophobicContact SD-CZ 3.65Å; M1-L37 HydrophobicContact SD-CD2 3.57Å; M1-L37 VanDerWaalsContact SD-CD2 3.57Å
2	F	50.4	Low	79.3	Confident	217 Å²	217	105.1 Å²	105.1	95%	0.952	53%	0.527	S	S	*	.			trans	-80.2	115.5	177.6	-71.9	-83.3	0	0	0	108
3	F	63.1	Low	80.5	Confident	108 Å²	108	100.5 Å²	100.5	47%	0.474	51%	0.505	S	S	.	.			trans	-84.6	118.7	170.6	-77.2	-87.9	0	0	0	108	M1 T5 V8 L37	M1-F3 HydrophobicContact CB-CE2 4.3Å; M1-F3 HydrophobicContact CE-CZ 4.13Å; M1-F3 HydrophobicContact CG-CD2 4.44Å; M1-F3 HydrophobicContact CG-CE2 3.84Å; M1-F3 HydrophobicContact CG-CZ 4.12Å; M1-F3 PolarHBondContact O-N 3.17Å; M1-F3 HydrophobicContact SD-CE2 3.82Å; M1-F3 HydrophobicContact SD-CZ 3.65Å; F3-T5 PolarHBondContact O-N 3.04Å; F3-T5 VanDerWaalsContact O-N 3.09Å; F3-V8 HydrophobicContact CB-CG2 4.41Å; F3-V8 HydrophobicContact CD1-CG2 4Å; F3-L37 HydrophobicContact CE1-CD1 4.41Å; F3-L37 HydrophobicContact CE2-CD1 4.17Å; F3-L37 HydrophobicContact CE2-CD2 3.69Å; F3-L37 HydrophobicContact CE2-CG 4.37Å; F3-L37 HydrophobicContact CZ-CD1 3.63Å; F3-L37 HydrophobicContact CZ-CD2 3.45Å; F3-L37 VanDerWaalsContact CZ-CD2 3.45Å; F3-L37 HydrophobicContact CZ-CG 4.11Å
4	E	74.2	Confident	81.6	Confident	103 Å²	103	98.6 Å²	98.6	48%	0.481	50%	0.502	S	S	.	.			trans	-69.3	106.6	167	-145.2	-171.6	138.9	0	0	107	S6 K7 V8	E4-S6 VanDerWaalsContact CD-OG 3.27Å; E4-S6 VanDerWaalsContact CG-OG 3.22Å; E4-S6 WeakPolarHBondContact CG-OG 3.15Å; E4-S6 PolarHBondContact O-N 3.33Å; E4-S6 PolarHBondContact OE1-OG 2.67Å; E4-K7 HydrophobicContact CB-CB 4.23Å; E4-K7 HydrophobicContact CB-CD 4.02Å; E4-K7 HydrophobicContact CB-CG 4.11Å; E4-K7 PolarHBondContact O-N 3.1Å; E4-K7 VanDerWaalsContact OE2-CD 3.3Å; E4-K7 WeakPolarHBondContact OE2-CD 3.25Å; E4-K7 WeakPolarHBondContact OE2-CE 3.22Å; E4-K7 IonicContact OE2-NZ 2.68Å; E4-K7 PolarHBondContact OE2-NZ 2.81Å; E4-V8 PolarHBondContact O-N 2.75Å
5	T	78.4	Confident	82.5	Confident	107 Å²	107	99.1 Å²	99.1	66%	0.656	50%	0.499	S	S	*	.	H	α-helix	trans	-55.5	-37.2	-177.6	49.3	0	0	0	0	111.1	F3 K7 V8 L9	F3-T5 PolarHBondContact O-N 3.04Å; F3-T5 VanDerWaalsContact O-N 3.09Å; T5-K7 VanDerWaalsContact C-N 3.34Å; T5-K7 PolarHBondContact O-N 3.31Å; T5-V8 PolarHBondContact O-N 3.02Å; T5-L9 WeakPolarHBondContact O-CB 3.35Å; T5-L9 VanDerWaalsContact O-CG 3.29Å; T5-L9 WeakPolarHBondContact O-CG 3.38Å; T5-L9 PolarHBondContact O-N 3.47Å
6	S	84.9	Confident	83.3	Confident	59 Å²	59	95.2 Å²	95.2	41%	0.413	48%	0.484	S	S	.	.	H	α-helix	trans	-52.2	-46.3	172.2	59.6	0	0	0	0	112.9	E4 L9 M10	E4-S6 VanDerWaalsContact CD-OG 3.27Å; E4-S6 VanDerWaalsContact CG-OG 3.22Å; E4-S6 WeakPolarHBondContact CG-OG 3.15Å; E4-S6 PolarHBondContact O-N 3.33Å; E4-S6 PolarHBondContact OE1-OG 2.67Å; S6-L9 PolarHBondContact O-N 2.62Å; S6-M10 WeakPolarHBondContact O-CB 3.4Å; S6-M10 PolarHBondContact O-N 2.97Å
7	K	90.6	Very high	84	Confident	119 Å²	119	98.7 Å²	98.7	52%	0.517	50%	0.498	S	S	.	.	H	α-helix	trans	-70.4	-40.2	-179.2	-73.7	178.4	173.8	147.2	0	112.2	E4 T5 L9 M10 V11	E4-K7 HydrophobicContact CB-CB 4.23Å; E4-K7 HydrophobicContact CB-CD 4.02Å; E4-K7 HydrophobicContact CB-CG 4.11Å; E4-K7 PolarHBondContact O-N 3.1Å; E4-K7 VanDerWaalsContact OE2-CD 3.3Å; E4-K7 WeakPolarHBondContact OE2-CD 3.25Å; E4-K7 WeakPolarHBondContact OE2-CE 3.22Å; E4-K7 IonicContact OE2-NZ 2.68Å; E4-K7 PolarHBondContact OE2-NZ 2.81Å; T5-K7 VanDerWaalsContact C-N 3.34Å; T5-K7 PolarHBondContact O-N 3.31Å; K7-L9 VanDerWaalsContact C-N 3.34Å; K7-M10 PolarHBondContact O-N 3.45Å; K7-V11 WeakPolarHBondContact O-CG2 3.47Å; K7-V11 PolarHBondContact O-N 3.43Å
8	V	89.8	Confident	84.6	Confident	69 Å²	69	100 Å²	100	42%	0.418	51%	0.507	S	S	.	.	H	α-helix	trans	-63.8	-44.1	176.7	177.6	0	0	0	0	110.1	F3 E4 T5 V11 W12	F3-V8 HydrophobicContact CB-CG2 4.41Å; F3-V8 HydrophobicContact CD1-CG2 4Å; E4-V8 PolarHBondContact O-N 2.75Å; T5-V8 PolarHBondContact O-N 3.02Å; V8-V11 PolarHBondContact O-N 3.48Å; V8-W12 WeakPolarHBondContact O-CB 3.17Å; V8-W12 PolarHBondContact O-N 3Å
9	L	92.7	Very high	85.1	Confident	33 Å²	33	98.8 Å²	98.8	17%	0.173	50%	0.502	C	S	.	.	H	α-helix	trans	-63.3	-42.9	176.3	-70.8	177.1	0	0	0	112.1	T5 S6 K7 V11 W12 D13 R25 P26 N27	T5-L9 WeakPolarHBondContact O-CB 3.35Å; T5-L9 VanDerWaalsContact O-CG 3.29Å; T5-L9 WeakPolarHBondContact O-CG 3.38Å; T5-L9 PolarHBondContact O-N 3.47Å; S6-L9 PolarHBondContact O-N 2.62Å; K7-L9 VanDerWaalsContact C-N 3.34Å; L9-V11 VanDerWaalsContact C-N 3.34Å; L9-V11 PolarHBondContact O-N 3.12Å; L9-W12 WeakPolarHBondContact O-CB 3.28Å; L9-W12 PolarHBondContact O-N 2.72Å; L9-D13 WeakPolarHBondContact O-CB 3.39Å; L9-D13 PolarHBondContact O-N 3.3Å; L9-R25 HydrophobicContact CD2-CG 4.47Å; L9-P26 HydrophobicContact CD2-CG 4.14Å; L9-N27 HydrophobicContact CD1-CB 4.21Å; L9-N27 HydrophobicContact CD2-CB 3.9Å
10	M	94.3	Very high	85.2	Confident	116 Å²	116	100.2 Å²	100.2	57%	0.571	52%	0.521	S	S	*	.	H	α-helix	trans	-60.1	-42.1	175.5	-177.7	-167.9	71	0	0	112.4	S6 K7 D13 T14	S6-M10 WeakPolarHBondContact O-CB 3.4Å; S6-M10 PolarHBondContact O-N 2.97Å; K7-M10 PolarHBondContact O-N 3.45Å; M10-D13 PolarHBondContact O-N 3.25Å; M10-T14 PolarHBondContact O-N 3.38Å; M10-T14 PolarHBondContact O-OG1 3.2Å
11	V	92.9	Very high	85.4	Confident	94 Å²	94	97.8 Å²	97.8	57%	0.57	51%	0.511	S	S	*	.	H	α-helix	trans	-67.2	-39.9	176	172.2	0	0	0	0	110.9	K7 V8 L9 T14 F15	K7-V11 WeakPolarHBondContact O-CG2 3.47Å; K7-V11 PolarHBondContact O-N 3.43Å; V8-V11 PolarHBondContact O-N 3.48Å; L9-V11 VanDerWaalsContact C-N 3.34Å; L9-V11 PolarHBondContact O-N 3.12Å; V11-T14 PolarHBondContact O-N 2.7Å; V11-F15 PolarHBondContact O-N 3.15Å
12	W	94.6	Very high	87.6	Confident	55 Å²	55	98.6 Å²	98.6	21%	0.208	51%	0.512	C	S	.	.	H	α-helix	trans	-61.9	-44.7	175.1	-170.9	98.9	0	0	0	111.6	V8 L9 T14 F15 S16 T21 R25 P26	V8-W12 WeakPolarHBondContact O-CB 3.17Å; V8-W12 PolarHBondContact O-N 3Å; L9-W12 WeakPolarHBondContact O-CB 3.28Å; L9-W12 PolarHBondContact O-N 2.72Å; W12-T14 VanDerWaalsContact C-N 3.34Å; W12-T14 PolarHBondContact O-N 3.36Å; W12-F15 PolarHBondContact O-N 3.26Å; W12-F15 VanDerWaalsContact O-N 3.16Å; W12-S16 VanDerWaalsContact CZ3-OG 3.28Å; W12-S16 WeakPolarHBondContact CZ3-OG 3.47Å; W12-S16 PolarHBondContact O-N 3.23Å; W12-S16 PolarHBondContact O-OG 3.37Å; W12-T21 HydrophobicContact CH2-CG2 4.2Å; W12-T21 HydrophobicContact CZ2-CG2 3.88Å; W12-R25 HydrophobicContact CD2-CG 4.11Å; W12-R25 HydrophobicContact CE3-CB 4.19Å; W12-R25 HydrophobicContact CE3-CG 3.63Å; W12-R25 HydrophobicContact CH2-CB 3.61Å; W12-R25 HydrophobicContact CH2-CG 3.99Å; W12-R25 HydrophobicContact CZ2-CB 3.96Å; W12-R25 HydrophobicContact CZ2-CG 4.42Å; W12-R25 HydrophobicContact CZ3-CB 3.73Å; W12-R25 HydrophobicContact CZ3-CG 3.57Å; W12-P26 HydrophobicContact CG-CG 4.2Å
13	D	95	Very high	89.6	Confident	45 Å²	45	95.8 Å²	95.8	24%	0.241	50%	0.5	C	S	.	.	H	α-helix	trans	-63.3	-41	178.2	-68.3	-27	0	0	0	111	L9 M10 F15 S16 Q17 R25	L9-D13 WeakPolarHBondContact O-CB 3.39Å; L9-D13 PolarHBondContact O-N 3.3Å; M10-D13 PolarHBondContact O-N 3.25Å; D13-F15 VanDerWaalsContact C-N 3.31Å; D13-F15 PolarHBondContact O-N 2.86Å; D13-S16 PolarHBondContact O-N 2.94Å; D13-S16 PolarHBondContact O-OG 3.36Å; D13-Q17 WeakPolarHBondContact O-CB 3.32Å; D13-Q17 WeakPolarHBondContact O-CG 3.19Å; D13-Q17 PolarHBondContact O-N 3.1Å; D13-Q17 VanDerWaalsContact O-N 3.09Å; D13-R25 IonicContact OD1-CZ 2.76Å; D13-R25 IonicContact OD1-NE 2.67Å; D13-R25 PolarHBondContact OD1-NE 3.41Å; D13-R25 IonicContact OD1-NH2 3.86Å; D13-R25 PolarHBondContact OD1-NH2 3.29Å; D13-R25 IonicContact OD2-CZ 3.67Å; D13-R25 IonicContact OD2-NE 3.52Å; D13-R25 IonicContact OD2-NH2 3.45Å; D13-R25 PolarHBondContact OD2-NH2 3.07Å
14	T	96.3	Very high	90.9	Very high	75 Å²	75	98.4 Å²	98.4	46%	0.46	51%	0.513	S	S	.	.	H	α-helix	trans	-63.2	-38.6	174.6	-55.3	0	0	0	0	111.6	M10 V11 W12 N18	M10-T14 PolarHBondContact O-N 3.38Å; M10-T14 PolarHBondContact O-OG1 3.2Å; V11-T14 PolarHBondContact O-N 2.7Å; W12-T14 VanDerWaalsContact C-N 3.34Å; W12-T14 PolarHBondContact O-N 3.36Å; T14-N18 PolarHBondContact O-ND2 3.06Å
15	F	95.2	Very high	91.8	Very high	106 Å²	106	97.6 Å²	97.6	47%	0.465	51%	0.506	S	S	.	.	H	α-helix	trans	-68.9	-46.8	177.7	179.1	-91.4	0	0	0	111.9	V11 W12 D13 Q17 N18 N19	V11-F15 PolarHBondContact O-N 3.15Å; W12-F15 PolarHBondContact O-N 3.26Å; W12-F15 VanDerWaalsContact O-N 3.16Å; D13-F15 VanDerWaalsContact C-N 3.31Å; D13-F15 PolarHBondContact O-N 2.86Å; F15-Q17 VanDerWaalsContact C-N 3.34Å; F15-Q17 PolarHBondContact O-N 2.74Å; F15-N18 PolarHBondContact O-N 3.08Å; F15-N18 VanDerWaalsContact O-N 3.15Å; F15-N19 HydrophobicContact CD1-CB 4.37Å; F15-N19 HydrophobicContact CE1-CB 3.91Å; F15-N19 HydrophobicContact CE2-CB 4.2Å; F15-N19 HydrophobicContact CZ-CB 3.82Å; F15-N19 WeakPolarHBondContact O-CB 3.23Å; F15-N19 PolarHBondContact O-N 3.34Å; F15-N19 PolarHBondContact O-ND2 3.48Å
16	S	95.2	Very high	92.4	Very high	36 Å²	36	95.5 Å²	95.5	25%	0.252	49%	0.494	S	S	.	.	H	α-helix	trans	-69.8	-27.5	-176	65.2	0	0	0	0	113.6	W12 D13 N18	W12-S16 VanDerWaalsContact CZ3-OG 3.28Å; W12-S16 WeakPolarHBondContact CZ3-OG 3.47Å; W12-S16 PolarHBondContact O-N 3.23Å; W12-S16 PolarHBondContact O-OG 3.37Å; D13-S16 PolarHBondContact O-N 2.94Å; D13-S16 PolarHBondContact O-OG 3.36Å; S16-N18 VanDerWaalsContact C-N 3.29Å; S16-N18 PolarHBondContact O-N 3.4Å
17	Q	94.3	Very high	92.7	Very high	155 Å²	155	96.4 Å²	96.4	72%	0.724	49%	0.494	S	S	*	.	H	α-helix	trans	-66.2	-31.1	171.2	-74.8	170.8	6.8	0	0	112.8	D13 F15	D13-Q17 WeakPolarHBondContact O-CB 3.32Å; D13-Q17 WeakPolarHBondContact O-CG 3.19Å; D13-Q17 PolarHBondContact O-N 3.1Å; D13-Q17 VanDerWaalsContact O-N 3.09Å; F15-Q17 VanDerWaalsContact C-N 3.34Å; F15-Q17 PolarHBondContact O-N 2.74Å
18	N	94.5	Very high	92.5	Very high	122 Å²	122	98.1 Å²	98.1	65%	0.652	50%	0.504	S	S	*	.	H	α-helix	trans	-103.1	-12.6	-174.2	-67.4	-57.7	0	0	0	113.8	T14 F15 S16	T14-N18 PolarHBondContact O-ND2 3.06Å; F15-N18 PolarHBondContact O-N 3.08Å; F15-N18 VanDerWaalsContact O-N 3.15Å; S16-N18 VanDerWaalsContact C-N 3.29Å; S16-N18 PolarHBondContact O-N 3.4Å
19	N	93.7	Very high	92.3	Very high	78 Å²	78	97.3 Å²	97.3	42%	0.417	50%	0.504	S	S	.	.	S	Bend	trans	-142.3	144.1	-174.1	-55.7	-91.1	0	0	0	110.3	F15 T21	F15-N19 HydrophobicContact CD1-CB 4.37Å; F15-N19 HydrophobicContact CE1-CB 3.91Å; F15-N19 HydrophobicContact CE2-CB 4.2Å; F15-N19 HydrophobicContact CZ-CB 3.82Å; F15-N19 WeakPolarHBondContact O-CB 3.23Å; F15-N19 PolarHBondContact O-N 3.34Å; F15-N19 PolarHBondContact O-ND2 3.48Å; N19-T21 PolarHBondContact O-N 3.22Å
20	S	88.4	Confident	92	Very high	126 Å²	126	100.3 Å²	100.3	88%	0.881	52%	0.521	S	S	*	.			trans	-67.7	132.1	168.3	56.5	0	0	0	0	110.4
21	T	90	Very high	91.6	Very high	50 Å²	50	104.3 Å²	104.3	31%	0.307	54%	0.538	S	S	.	.			trans	-128.2	134.8	173.2	175.8	0	0	0	0	110.2	W12 N19 K23	W12-T21 HydrophobicContact CH2-CG2 4.2Å; W12-T21 HydrophobicContact CZ2-CG2 3.88Å; N19-T21 PolarHBondContact O-N 3.22Å; T21-K23 VanDerWaalsContact C-N 3.33Å; T21-K23 PolarHBondContact OG1-N 3.07Å
22	E	91.2	Very high	91.5	Very high	197 Å²	197	106 Å²	106	92%	0.921	54%	0.544	S	S	*	.			trans	-86.2	-10	170.6	-62.3	177.5	177.5	0	0	112
23	K	92.2	Very high	91.2	Very high	159 Å²	159	107.8 Å²	107.8	69%	0.691	55%	0.554	S	S	*	*	S	Bend	trans	-82.2	138.7	-177.1	-57.5	-58.1	-176.4	-172.2	0	110.7	T21	T21-K23 VanDerWaalsContact C-N 3.33Å; T21-K23 PolarHBondContact OG1-N 3.07Å
24	Q	91.3	Very high	90.9	Very high	162 Å²	162	113.4 Å²	113.4	76%	0.757	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-60.9	148.1	168.7	-71.8	176.2	-31.6	0	0	110.6
25	R	93.2	Very high	90.5	Very high	86 Å²	86	117.8 Å²	117.8	33%	0.325	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-63	128.5	173.7	-172.5	172.8	-175.3	-87.7	1.6	108.9	L9 W12 D13 N27	L9-R25 HydrophobicContact CD2-CG 4.47Å; W12-R25 HydrophobicContact CD2-CG 4.11Å; W12-R25 HydrophobicContact CE3-CB 4.19Å; W12-R25 HydrophobicContact CE3-CG 3.63Å; W12-R25 HydrophobicContact CH2-CB 3.61Å; W12-R25 HydrophobicContact CH2-CG 3.99Å; W12-R25 HydrophobicContact CZ2-CB 3.96Å; W12-R25 HydrophobicContact CZ2-CG 4.42Å; W12-R25 HydrophobicContact CZ3-CB 3.73Å; W12-R25 HydrophobicContact CZ3-CG 3.57Å; D13-R25 IonicContact OD1-CZ 2.76Å; D13-R25 IonicContact OD1-NE 2.67Å; D13-R25 PolarHBondContact OD1-NE 3.41Å; D13-R25 IonicContact OD1-NH2 3.86Å; D13-R25 PolarHBondContact OD1-NH2 3.29Å; D13-R25 IonicContact OD2-CZ 3.67Å; D13-R25 IonicContact OD2-NE 3.52Å; D13-R25 IonicContact OD2-NH2 3.45Å; D13-R25 PolarHBondContact OD2-NH2 3.07Å; R25-N27 VanDerWaalsContact CB-OD1 3.29Å; R25-N27 WeakPolarHBondContact CB-OD1 3.13Å; R25-N27 VanDerWaalsContact CG-OD1 3.22Å; R25-N27 WeakPolarHBondContact CG-OD1 3.4Å; R25-N27 VanDerWaalsContact NH1-CB 3.27Å; R25-N27 VanDerWaalsContact NH1-CG 3.34Å; R25-N27 PolarHBondContact O-N 3.32Å; R25-N27 PolarHBondContact O-OD1 3.49Å; R25-N27 VanDerWaalsContact O-OD1 3.04Å
26	P	90.9	Very high	90.3	Very high	63 Å²	63	119 Å²	119	41%	0.409	60%	0.604	S	S	.	*	S	Bend	trans	-83.1	57.3	-170.6	33.9	-37	0	0	0	112	L9 W12	L9-P26 HydrophobicContact CD2-CG 4.14Å; W12-P26 HydrophobicContact CG-CG 4.2Å
27	N	90.6	Very high	90	Very high	78 Å²	78	122 Å²	122	42%	0.417	62%	0.616	S	S	.	*			trans	-117.5	5.6	-176.8	65.7	-78.8	0	0	0	114.5	L9 R25	L9-N27 HydrophobicContact CD1-CB 4.21Å; L9-N27 HydrophobicContact CD2-CB 3.9Å; R25-N27 VanDerWaalsContact CB-OD1 3.29Å; R25-N27 WeakPolarHBondContact CB-OD1 3.13Å; R25-N27 VanDerWaalsContact CG-OD1 3.22Å; R25-N27 WeakPolarHBondContact CG-OD1 3.4Å; R25-N27 VanDerWaalsContact NH1-CB 3.27Å; R25-N27 VanDerWaalsContact NH1-CG 3.34Å; R25-N27 PolarHBondContact O-N 3.32Å; R25-N27 PolarHBondContact O-OD1 3.49Å; R25-N27 VanDerWaalsContact O-OD1 3.04Å
28	E	86.9	Confident	89.7	Confident	156 Å²	156	120.9 Å²	120.9	73%	0.729	61%	0.614	S	S	*	*			trans	-108.3	6.9	-176.4	-61	-178.6	179.1	0	0	112.8
29	A	84.9	Confident	89.3	Confident	51 Å²	51	120 Å²	120	42%	0.421	62%	0.616	S	S	.	*			trans	-69.2	135.3	178.7	0	0	0	0	0	111.3	Q33 Y35	A29-Q33 HydrophobicContact CB-CB 4.01Å; A29-Q33 HydrophobicContact CB-CG 4.01Å; A29-Y35 WeakPolarHBondContact CB-OH 3.46Å
30	D	86.3	Confident	88.8	Confident	96 Å²	96	122.2 Å²	122.2	51%	0.513	63%	0.627	S	S	.	*			trans	-70.4	164	173	69.2	64.3	0	0	0	111.9	N32 Q33	D30-N32 PolarHBondContact O-N 3.32Å; D30-N32 WeakPolarHBondContact OD1-CA 2.93Å; D30-N32 VanDerWaalsContact OD1-CB 3.31Å; D30-N32 WeakPolarHBondContact OD1-CB 3.22Å; D30-N32 PolarHBondContact OD1-N 2.88Å; D30-Q33 VanDerWaalsContact O-CB 3.25Å; D30-Q33 WeakPolarHBondContact O-CB 2.95Å; D30-Q33 PolarHBondContact O-N 2.86Å; D30-Q33 VanDerWaalsContact O-N 3.12Å; D30-Q33 PolarHBondContact OD1-N 3.13Å
31	E	86	Confident	88.5	Confident	201 Å²	201	122.9 Å²	122.9	94%	0.939	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-18	-178.8	-62.9	-177.3	174.3	0	0	113.7
32	N	90.1	Very high	87.8	Confident	128 Å²	128	130.5 Å²	130.5	68%	0.684	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	5.3	178.2	-59.5	-50.2	0	0	0	112.6	D30 H34	D30-N32 PolarHBondContact O-N 3.32Å; D30-N32 WeakPolarHBondContact OD1-CA 2.93Å; D30-N32 VanDerWaalsContact OD1-CB 3.31Å; D30-N32 WeakPolarHBondContact OD1-CB 3.22Å; D30-N32 PolarHBondContact OD1-N 2.88Å; N32-H34 PolarHBondContact O-CE1 3.08Å; N32-H34 PolarHBondContact O-N 3.06Å; N32-H34 PolarHBondContact O-ND1 2.91Å
33	Q	89.1	Confident	86.8	Confident	93 Å²	93	127.2 Å²	127.2	44%	0.435	63%	0.628	S	S	.	*			trans	-65.3	127.4	179.7	179.6	62.6	56.3	0	0	110.2	A29 D30 Y35	A29-Q33 HydrophobicContact CB-CB 4.01Å; A29-Q33 HydrophobicContact CB-CG 4.01Å; D30-Q33 VanDerWaalsContact O-CB 3.25Å; D30-Q33 WeakPolarHBondContact O-CB 2.95Å; D30-Q33 PolarHBondContact O-N 2.86Å; D30-Q33 VanDerWaalsContact O-N 3.12Å; D30-Q33 PolarHBondContact OD1-N 3.13Å; Q33-Y35 HydrophobicContact CB-CE2 4Å; Q33-Y35 HydrophobicContact CG-CD2 4.18Å; Q33-Y35 HydrophobicContact CG-CE1 4.07Å; Q33-Y35 HydrophobicContact CG-CE2 3.49Å; Q33-Y35 VanDerWaalsContact CG-CE2 3.49Å; Q33-Y35 VanDerWaalsContact CG-CZ 3.43Å
34	H	88.7	Confident	86.1	Confident	163 Å²	163	121.6 Å²	121.6	76%	0.755	61%	0.611	S	S	*	*			trans	-95.1	141	176.2	-65.1	70.3	0	0	0	110.5	N32	N32-H34 PolarHBondContact O-CE1 3.08Å; N32-H34 PolarHBondContact O-N 3.06Å; N32-H34 PolarHBondContact O-ND1 2.91Å
35	Y	88.9	Confident	85.3	Confident	168 Å²	168	117.2 Å²	117.2	66%	0.659	60%	0.596	S	S	*	*			trans	-127	143.2	177.4	-63.7	-86.4	0	0	0	110.8	A29 Q33	A29-Y35 WeakPolarHBondContact CB-OH 3.46Å; Q33-Y35 HydrophobicContact CB-CE2 4Å; Q33-Y35 HydrophobicContact CG-CD2 4.18Å; Q33-Y35 HydrophobicContact CG-CE1 4.07Å; Q33-Y35 HydrophobicContact CG-CE2 3.49Å; Q33-Y35 VanDerWaalsContact CG-CE2 3.49Å; Q33-Y35 VanDerWaalsContact CG-CZ 3.43Å
36	V	89.6	Confident	84.5	Confident	132 Å²	132	116.3 Å²	116.3	80%	0.8	60%	0.6	S	S	*	*			trans	-102	115.6	167.2	-178.7	0	0	0	0	107.9	I38	V36-I38 HydrophobicContact CG1-CD1 4.41Å; V36-I38 HydrophobicContact CG1-CG1 3.99Å
37	L	88.6	Confident	83.5	Confident	97 Å²	97	114.5 Å²	114.5	51%	0.508	59%	0.587	S	S	.	*			trans	-94.4	119.8	172.5	-176.2	79.6	0	0	0	109.7	M1 F3	M1-L37 HydrophobicContact SD-CD2 3.57Å; M1-L37 VanDerWaalsContact SD-CD2 3.57Å; F3-L37 HydrophobicContact CE1-CD1 4.41Å; F3-L37 HydrophobicContact CE2-CD1 4.17Å; F3-L37 HydrophobicContact CE2-CD2 3.69Å; F3-L37 HydrophobicContact CE2-CG 4.37Å; F3-L37 HydrophobicContact CZ-CD1 3.63Å; F3-L37 HydrophobicContact CZ-CD2 3.45Å; F3-L37 VanDerWaalsContact CZ-CD2 3.45Å; F3-L37 HydrophobicContact CZ-CG 4.11Å
38	I	88.3	Confident	82.2	Confident	132 Å²	132	117.6 Å²	117.6	68%	0.677	60%	0.601	S	S	*	*			trans	-112.4	113.4	171.6	-54.7	178.1	0	0	0	107.9	V36 I40	V36-I38 HydrophobicContact CG1-CD1 4.41Å; V36-I38 HydrophobicContact CG1-CG1 3.99Å; I38-I40 HydrophobicContact CG2-CG2 4.17Å
39	C	86.3	Confident	81.2	Confident	103 Å²	103	118.1 Å²	118.1	70%	0.696	60%	0.601	S	S	*	*			trans	-88.4	119.7	174.8	-65.3	0	0	0	0	109.7
40	I	84.1	Confident	80.1	Confident	125 Å²	125	123.7 Å²	123.7	64%	0.641	61%	0.611	S	S	*	*			trans	-109.2	161.7	175.5	61.6	174.3	0	0	0	110.9	I38 L82	I38-I40 HydrophobicContact CG2-CG2 4.17Å; I40-L82 HydrophobicContact CD1-CD1 4.35Å
41	E	81.3	Confident	79.2	Confident	141 Å²	141	121.7 Å²	121.7	66%	0.659	60%	0.604	S	S	*	*			trans	-60.3	141.4	176.4	-167.4	-177.9	173.5	0	0	111.2	K84	E41-K84 IonicContact OE1-NZ 3.7Å; E41-K84 PolarHBondContact OE1-NZ 2.99Å
42	R	75.1	Confident	78.5	Confident	209 Å²	209	118.8 Å²	118.8	79%	0.789	59%	0.59	S	S	*	*	S	Bend	trans	-77.7	165.5	178.3	-64.2	-174.9	-176.6	-171.2	0.8	112.3	K84	R42-K84 PolarHBondContact O-NZ 3.42Å
43	D	71.2	Confident	77.6	Confident	128 Å²	128	117.6 Å²	117.6	68%	0.684	58%	0.584	S	S	*	*	S	Bend	trans	74.8	18	171.1	-40	-44.4	0	0	0	116	K84	D43-K84 IonicContact OD2-NZ 3.66Å
44	A	76	Confident	77.2	Confident	41 Å²	41	114 Å²	114	34%	0.339	57%	0.568	S	S	.	*			trans	-91.6	133.7	171.4	0	0	0	0	0	110.4	L82 L83	A44-L82 HydrophobicContact CB-CB 3.77Å; A44-L82 HydrophobicContact CB-CD1 4.32Å; A44-L83 CarbonylContact C-O 3.51Å; A44-L83 VanDerWaalsContact CA-O 3.25Å; A44-L83 WeakPolarHBondContact CA-O 3.39Å
45	V	75.8	Confident	76.7	Confident	71 Å²	71	108.9 Å²	108.9	43%	0.43	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	146.5	177.4	-64.2	0	0	0	0	110	L82 L83 Y85	V45-L82 CarbonylContact O-C 3.6Å; V45-L83 HydrophobicContact CG2-CB 4.21Å; V45-L83 PolarHBondContact N-O 2.87Å; V45-L83 PolarHBondContact O-N 3.4Å; V45-Y85 HydrophobicContact CG2-CE2 4.16Å
46	T	75.2	Confident	76.2	Confident	66 Å²	66	106.2 Å²	106.2	41%	0.405	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	154.7	175.1	49.5	0	0	0	0	111.2	I48 G79 I81 L82	T46-I48 PolarHBondContact O-N 2.84Å; T46-G79 WeakPolarHBondContact CG2-O 3.26Å; T46-I81 WeakPolarHBondContact CA-O 3.23Å; T46-L82 HydrophobicContact CG2-CD2 3.91Å
47	L	69.6	Low	75.9	Confident	26 Å²	26	103.6 Å²	103.6	14%	0.136	52%	0.516	C	S	.	.			trans	-65.7	105.5	-178.2	-176.6	63.1	0	0	0	111.8	K49 L54 I81 L83	L47-K49 WeakPolarHBondContact CD1-O 3.39Å; L47-L54 HydrophobicContact CD1-CD2 3.2Å; L47-L54 HydrophobicContact CD2-CD2 3.58Å; L47-L54 HydrophobicContact CG-CD2 3.99Å; L47-I81 HydrophobicContact CB-CB 4.21Å; L47-I81 HydrophobicContact CB-CG2 4.26Å; L47-I81 HydrophobicContact CD2-CD1 4.25Å; L47-I81 HydrophobicContact CD2-CG2 4.39Å; L47-I81 PolarHBondContact N-O 3.27Å; L47-L83 HydrophobicContact CD1-CD1 3.54Å; L47-L83 HydrophobicContact CD1-CD2 4.32Å; L47-L83 HydrophobicContact CD1-CG 4.12Å
48	I	64.2	Low	75.8	Confident	142 Å²	142	100.3 Å²	100.3	73%	0.728	50%	0.499	S	S	*	.			trans	-99.4	-27.1	175.1	-57.1	170	0	0	0	111.9	T46	T46-I48 PolarHBondContact O-N 2.84Å
49	K	65.3	Low	75.6	Confident	168 Å²	168	95.8 Å²	95.8	73%	0.73	48%	0.477	S	S	*	.	S	Bend	trans	-141.4	159.9	-177.2	-69.7	-173.4	178.3	179.1	0	111.5	L47 P51	L47-K49 WeakPolarHBondContact CD1-O 3.39Å; K49-P51 WeakPolarHBondContact O-CD 3.28Å
50	R	63.4	Low	75.5	Confident	167 Å²	167	93.2 Å²	93.2	63%	0.63	46%	0.458	S	S	*	.			trans	-94.3	93.9	-167.9	-55.3	172	-169.4	171.6	-2.4	113.7	Y119	R50-Y119 WeakPolarHBondContact CD-O 3.06Å; R50-Y119 HydrophobicContact CG-CD1 4.47Å; R50-Y119 PolarHBondContact NE-O 3.09Å; R50-Y119 PolarHBondContact NH1-O 3.13Å; R50-Y119 PolarHBondContact NH2-O 3.35Å
51	P	67.3	Low	75.6	Confident	55 Å²	55	90.3 Å²	90.3	36%	0.357	45%	0.447	S	S	.	.			trans	-78.7	123.9	159.7	15.5	-10.1	0	0	0	109.1	K49 D53 L54	K49-P51 WeakPolarHBondContact O-CD 3.28Å; P51-D53 PolarHBondContact O-N 3.45Å; P51-D53 VanDerWaalsContact O-N 3.15Å; P51-L54 HydrophobicContact CB-CB 4.41Å; P51-L54 HydrophobicContact CG-CB 3.88Å; P51-L54 VanDerWaalsContact O-CB 3.23Å; P51-L54 WeakPolarHBondContact O-CB 3.27Å; P51-L54 PolarHBondContact O-N 2.87Å
52	E	69.9	Low	75.9	Confident	140 Å²	140	84.2 Å²	84.2	65%	0.654	42%	0.419	S	S	*	.	H	α-helix	trans	-51.6	-36.5	174.3	-170.7	-167.2	140.3	0	0	111.8	L54 L55 K56	E52-L54 PolarHBondContact O-N 2.73Å; E52-L55 PolarHBondContact O-N 2.94Å; E52-K56 WeakPolarHBondContact OE1-CE 3.48Å; E52-K56 IonicContact OE1-NZ 2.79Å; E52-K56 PolarHBondContact OE1-NZ 3.49Å
53	D	72.4	Confident	76.4	Confident	103 Å²	103	75 Å²	75	55%	0.551	39%	0.386	S	S	*	.	H	α-helix	trans	-61.2	-29.7	177.1	-67.2	-30.8	0	0	0	113	P51 K56 Q57	P51-D53 PolarHBondContact O-N 3.45Å; P51-D53 VanDerWaalsContact O-N 3.15Å; D53-K56 PolarHBondContact O-N 3Å; D53-Q57 VanDerWaalsContact O-CG 3.26Å; D53-Q57 WeakPolarHBondContact O-CG 3.27Å; D53-Q57 PolarHBondContact O-N 2.92Å; D53-Q57 VanDerWaalsContact O-N 3.08Å
54	L	80.1	Confident	77.1	Confident	18 Å²	18	71.8 Å²	71.8	9%	0.094	37%	0.368	C	S	.	.	H	α-helix	trans	-64.8	-42.9	177.5	177	66.3	0	0	0	112.1	L47 P51 E52 K56 Q57 L58 I81 L83	L47-L54 HydrophobicContact CD1-CD2 3.2Å; L47-L54 HydrophobicContact CD2-CD2 3.58Å; L47-L54 HydrophobicContact CG-CD2 3.99Å; P51-L54 HydrophobicContact CB-CB 4.41Å; P51-L54 HydrophobicContact CG-CB 3.88Å; P51-L54 VanDerWaalsContact O-CB 3.23Å; P51-L54 WeakPolarHBondContact O-CB 3.27Å; P51-L54 PolarHBondContact O-N 2.87Å; E52-L54 PolarHBondContact O-N 2.73Å; L54-K56 VanDerWaalsContact C-N 3.26Å; L54-K56 PolarHBondContact O-N 3.37Å; L54-Q57 PolarHBondContact O-N 2.51Å; L54-Q57 VanDerWaalsContact O-N 3.13Å; L54-L58 HydrophobicContact CD1-CD1 4.25Å; L54-L58 HydrophobicContact CD1-CG 4.17Å; L54-L58 HydrophobicContact CD2-CD1 4.37Å; L54-L58 HydrophobicContact CG-CD1 3.86Å; L54-L58 HydrophobicContact CG-CG 4.23Å; L54-L58 WeakPolarHBondContact O-CG 3.45Å; L54-L58 PolarHBondContact O-N 2.7Å; L54-I81 HydrophobicContact CD1-CG2 4.06Å; L54-I81 HydrophobicContact CD2-CG2 4.03Å; L54-I81 HydrophobicContact CG-CG2 4.44Å; L54-L83 HydrophobicContact CD1-CD2 3.41Å; L54-L83 VanDerWaalsContact CD1-CD2 3.41Å; L54-L83 HydrophobicContact CD2-CD2 3.78Å; L54-L83 HydrophobicContact CG-CD2 4.12Å
55	L	78.9	Confident	77.7	Confident	54 Å²	54	72.2 Å²	72.2	28%	0.283	36%	0.364	S	S	.	.	H	α-helix	trans	-62.3	-41.2	-178.1	-167	71.8	0	0	0	110.1	E52 Q57 L58 V59 L112 T116 I120	E52-L55 PolarHBondContact O-N 2.94Å; L55-Q57 PolarHBondContact O-N 3.35Å; L55-L58 PolarHBondContact O-N 2.89Å; L55-V59 VanDerWaalsContact O-CG2 3.27Å; L55-V59 WeakPolarHBondContact O-CG2 3.41Å; L55-V59 PolarHBondContact O-N 2.89Å; L55-L112 HydrophobicContact CD1-CD1 3.67Å; L55-L112 HydrophobicContact CD1-CD2 3.93Å; L55-L112 HydrophobicContact CD1-CG 3.76Å; L55-L112 HydrophobicContact CD2-CD2 4.27Å; L55-L112 HydrophobicContact CG-CD1 4.38Å; L55-L112 HydrophobicContact CG-CD2 4.04Å; L55-L112 HydrophobicContact CG-CG 4.41Å; L55-T116 HydrophobicContact CD1-CG2 4.31Å; L55-T116 HydrophobicContact CD2-CG2 4.05Å; L55-I120 HydrophobicContact CD2-CD1 3.97Å
56	K	78.5	Confident	78.2	Confident	112 Å²	112	71.1 Å²	71.1	49%	0.487	35%	0.354	S	S	.	.	H	α-helix	trans	-59.8	-46	174.3	-65.9	173.2	-172.4	158.5	0	111.1	E52 D53 L54 V59 V60	E52-K56 WeakPolarHBondContact OE1-CE 3.48Å; E52-K56 IonicContact OE1-NZ 2.79Å; E52-K56 PolarHBondContact OE1-NZ 3.49Å; D53-K56 PolarHBondContact O-N 3Å; L54-K56 VanDerWaalsContact C-N 3.26Å; L54-K56 PolarHBondContact O-N 3.37Å; K56-V59 PolarHBondContact O-N 3.26Å; K56-V60 WeakPolarHBondContact O-CB 3.32Å; K56-V60 VanDerWaalsContact O-CG2 3.28Å; K56-V60 WeakPolarHBondContact O-CG2 3.48Å; K56-V60 PolarHBondContact O-N 3.48Å
57	Q	82.7	Confident	78.8	Confident	77 Å²	77	72.7 Å²	72.7	36%	0.36	36%	0.355	S	S	.	.	H	α-helix	trans	-63.3	-43.1	178	-65.4	-177.5	36.6	0	0	112.5	D53 L54 L55 T61 Y93	D53-Q57 VanDerWaalsContact O-CG 3.26Å; D53-Q57 WeakPolarHBondContact O-CG 3.27Å; D53-Q57 PolarHBondContact O-N 2.92Å; D53-Q57 VanDerWaalsContact O-N 3.08Å; L54-Q57 PolarHBondContact O-N 2.51Å; L54-Q57 VanDerWaalsContact O-N 3.13Å; L55-Q57 PolarHBondContact O-N 3.35Å; Q57-T61 VanDerWaalsContact O-CB 3.27Å; Q57-T61 WeakPolarHBondContact O-CB 3.27Å; Q57-T61 PolarHBondContact O-N 2.98Å; Q57-T61 PolarHBondContact O-OG1 3.43Å; Q57-Y93 HydrophobicContact CG-CE2 4.22Å; Q57-Y93 WeakPolarHBondContact CG-OH 3.22Å; Q57-Y93 PolarHBondContact OE1-OH 3.34Å
58	L	86.1	Confident	79.7	Confident	29 Å²	29	78.7 Å²	78.7	15%	0.152	38%	0.38	C	S	.	.	H	α-helix	trans	-61.5	-49	176.7	-74	170.7	0	0	0	111.2	L54 L55 V60 T61 L62 I81	L54-L58 HydrophobicContact CD1-CD1 4.25Å; L54-L58 HydrophobicContact CD1-CG 4.17Å; L54-L58 HydrophobicContact CD2-CD1 4.37Å; L54-L58 HydrophobicContact CG-CD1 3.86Å; L54-L58 HydrophobicContact CG-CG 4.23Å; L54-L58 WeakPolarHBondContact O-CG 3.45Å; L54-L58 PolarHBondContact O-N 2.7Å; L55-L58 PolarHBondContact O-N 2.89Å; L58-V60 PolarHBondContact O-N 2.62Å; L58-T61 PolarHBondContact O-N 3.19Å; L58-L62 WeakPolarHBondContact O-CB 3.48Å; L58-L62 VanDerWaalsContact O-CG 3.32Å; L58-L62 WeakPolarHBondContact O-CG 3.33Å; L58-L62 PolarHBondContact O-N 2.93Å; L58-I81 HydrophobicContact CD1-CD1 3.75Å; L58-I81 HydrophobicContact CD1-CG1 4.31Å; L58-I81 HydrophobicContact CD1-CG2 4.21Å; L58-I81 HydrophobicContact CD2-CG1 4.26Å; L58-I81 HydrophobicContact CD2-CG2 4.23Å
59	V	84.1	Confident	81.1	Confident	36 Å²	36	78.1 Å²	78.1	22%	0.218	37%	0.372	C	S	.	.	H	α-helix	trans	-57.7	-52	177.8	171.4	0	0	0	0	111.1	L55 K56 T61 L62 C63 L112	L55-V59 VanDerWaalsContact O-CG2 3.27Å; L55-V59 WeakPolarHBondContact O-CG2 3.41Å; L55-V59 PolarHBondContact O-N 2.89Å; K56-V59 PolarHBondContact O-N 3.26Å; V59-T61 VanDerWaalsContact C-N 3.28Å; V59-T61 PolarHBondContact O-N 3.39Å; V59-L62 PolarHBondContact O-N 3.38Å; V59-C63 VanDerWaalsContact O-CB 3.22Å; V59-C63 WeakPolarHBondContact O-CB 3.23Å; V59-C63 PolarHBondContact O-N 3.32Å; V59-C63 PolarHBondContact O-SG 3.5Å; V59-C63 VanDerWaalsContact O-SG 3.34Å; V59-L112 HydrophobicContact CG2-CD1 3.47Å; V59-L112 VanDerWaalsContact CG2-CD1 3.47Å; V59-L112 HydrophobicContact CG2-CD2 3.22Å; V59-L112 HydrophobicContact CG2-CG 3.94Å
60	V	83.4	Confident	82.2	Confident	49 Å²	49	78.2 Å²	78.2	30%	0.297	37%	0.373	S	S	.	.	H	α-helix	trans	-59.6	-42.6	-179.5	171.3	0	0	0	0	110.6	K56 L58 C63 I64 Y93 V95	K56-V60 WeakPolarHBondContact O-CB 3.32Å; K56-V60 VanDerWaalsContact O-CG2 3.28Å; K56-V60 WeakPolarHBondContact O-CG2 3.48Å; K56-V60 PolarHBondContact O-N 3.48Å; L58-V60 PolarHBondContact O-N 2.62Å; V60-C63 PolarHBondContact O-N 3.07Å; V60-I64 HydrophobicContact CG1-CD1 3.79Å; V60-I64 VanDerWaalsContact O-CG1 3.27Å; V60-I64 WeakPolarHBondContact O-CG1 3.37Å; V60-I64 PolarHBondContact O-N 2.84Å; V60-Y93 HydrophobicContact CG1-CD1 4.27Å; V60-V95 HydrophobicContact CG1-CG2 4.39Å
61	T	86.9	Confident	83.4	Confident	64 Å²	64	74 Å²	74	39%	0.393	36%	0.359	S	S	.	.	H	α-helix	trans	-62.9	-51.7	179.1	-60.5	0	0	0	0	111.6	Q57 L58 V59 C63 I64 L65	Q57-T61 VanDerWaalsContact O-CB 3.27Å; Q57-T61 WeakPolarHBondContact O-CB 3.27Å; Q57-T61 PolarHBondContact O-N 2.98Å; Q57-T61 PolarHBondContact O-OG1 3.43Å; L58-T61 PolarHBondContact O-N 3.19Å; V59-T61 VanDerWaalsContact C-N 3.28Å; V59-T61 PolarHBondContact O-N 3.39Å; T61-C63 VanDerWaalsContact C-N 3.31Å; T61-C63 PolarHBondContact O-N 2.74Å; T61-I64 PolarHBondContact O-N 3.49Å; T61-L65 HydrophobicContact CG2-CD1 3.92Å; T61-L65 HydrophobicContact CG2-CG 4.4Å; T61-L65 WeakPolarHBondContact O-CG 3.48Å; T61-L65 PolarHBondContact O-N 3.3Å
62	L	88.3	Confident	84.4	Confident	14 Å²	14	74.8 Å²	74.8	7%	0.073	36%	0.358	C	S	.	.	H	α-helix	trans	-61	-40.9	178.2	-68.8	172.4	0	0	0	111.7	L58 V59 I64 L65 K66 L76	L58-L62 WeakPolarHBondContact O-CB 3.48Å; L58-L62 VanDerWaalsContact O-CG 3.32Å; L58-L62 WeakPolarHBondContact O-CG 3.33Å; L58-L62 PolarHBondContact O-N 2.93Å; V59-L62 PolarHBondContact O-N 3.38Å; L62-I64 PolarHBondContact O-N 3.35Å; L62-L65 PolarHBondContact O-N 2.75Å; L62-K66 VanDerWaalsContact O-CB 3.23Å; L62-K66 WeakPolarHBondContact O-CB 3.48Å; L62-K66 PolarHBondContact O-N 3.06Å; L62-L76 HydrophobicContact CD1-CD2 3.76Å; L62-L76 HydrophobicContact CD2-CD2 4.47Å
63	C	85.6	Confident	85.2	Confident	14 Å²	14	71.2 Å²	71.2	10%	0.095	34%	0.341	C	S	.	.	H	α-helix	trans	-60.6	-44.2	175.8	-82.5	0	0	0	0	112.4	V59 V60 T61 K67 F99	V59-C63 VanDerWaalsContact O-CB 3.22Å; V59-C63 WeakPolarHBondContact O-CB 3.23Å; V59-C63 PolarHBondContact O-N 3.32Å; V59-C63 PolarHBondContact O-SG 3.5Å; V59-C63 VanDerWaalsContact O-SG 3.34Å; V60-C63 PolarHBondContact O-N 3.07Å; T61-C63 VanDerWaalsContact C-N 3.31Å; T61-C63 PolarHBondContact O-N 2.74Å; C63-K67 WeakPolarHBondContact O-CB 3.33Å; C63-K67 PolarHBondContact O-N 2.98Å; C63-F99 HydrophobicContact CB-CD1 4.49Å; C63-F99 HydrophobicContact CB-CE1 3.68Å; C63-F99 HydrophobicContact CB-CZ 4.17Å
64	I	85.1	Confident	86	Confident	62 Å²	62	76.1 Å²	76.1	32%	0.318	35%	0.352	S	S	.	.	H	α-helix	trans	-63.9	-49.7	175.7	-69.5	165.7	0	0	0	110.6	V60 T61 L62 K66 K67 K68 F99	V60-I64 HydrophobicContact CG1-CD1 3.79Å; V60-I64 VanDerWaalsContact O-CG1 3.27Å; V60-I64 WeakPolarHBondContact O-CG1 3.37Å; V60-I64 PolarHBondContact O-N 2.84Å; T61-I64 PolarHBondContact O-N 3.49Å; L62-I64 PolarHBondContact O-N 3.35Å; I64-K66 PolarHBondContact O-N 3.32Å; I64-K67 PolarHBondContact O-N 3.14Å; I64-K68 WeakPolarHBondContact O-CB 3.25Å; I64-K68 PolarHBondContact O-N 3.23Å; I64-F99 HydrophobicContact CG1-CE2 3.93Å; I64-F99 HydrophobicContact CG1-CZ 3.82Å
65	L	88.6	Confident	86.4	Confident	49 Å²	49	79.9 Å²	79.9	26%	0.257	37%	0.372	S	S	.	.	H	α-helix	trans	-62.4	-43.8	-178.2	-68.7	175	0	0	0	111.7	T61 L62 K67 K68 F69 F71	T61-L65 HydrophobicContact CG2-CD1 3.92Å; T61-L65 HydrophobicContact CG2-CG 4.4Å; T61-L65 WeakPolarHBondContact O-CG 3.48Å; T61-L65 PolarHBondContact O-N 3.3Å; L62-L65 PolarHBondContact O-N 2.75Å; L65-K67 PolarHBondContact O-N 2.91Å; L65-K68 PolarHBondContact O-N 3.1Å; L65-F69 HydrophobicContact CD2-CD2 3.88Å; L65-F69 HydrophobicContact CD2-CE2 4.05Å; L65-F69 WeakPolarHBondContact O-CA 3.43Å; L65-F69 WeakPolarHBondContact O-CB 3.35Å; L65-F69 PolarHBondContact O-N 2.93Å; L65-F71 HydrophobicContact CB-CB 3.75Å; L65-F71 HydrophobicContact CB-CD1 3.69Å; L65-F71 HydrophobicContact CB-CG 3.97Å; L65-F71 HydrophobicContact CD1-CD1 3.7Å; L65-F71 HydrophobicContact CD1-CE1 3.84Å; L65-F71 HydrophobicContact CD1-CG 4.4Å; L65-F71 HydrophobicContact CG-CD1 4.31Å; L65-F71 PolarHBondContact O-N 3.39Å
66	K	86.4	Confident	86.8	Confident	48 Å²	48	78.5 Å²	78.5	21%	0.209	37%	0.365	C	S	.	.	H	α-helix	trans	-61	-46.3	175.5	-178.6	171.7	-177.8	170.9	0	111.8	L62 I64 K70 C105	L62-K66 VanDerWaalsContact O-CB 3.23Å; L62-K66 WeakPolarHBondContact O-CB 3.48Å; L62-K66 PolarHBondContact O-N 3.06Å; I64-K66 PolarHBondContact O-N 3.32Å; K66-K70 WeakPolarHBondContact O-CA 3.4Å; K66-K70 PolarHBondContact O-N 3.22Å; K66-C105 HydrophobicContact CD-CB 3.82Å
67	K	87.2	Confident	87.1	Confident	99 Å²	99	76.6 Å²	76.6	43%	0.43	36%	0.358	S	S	.	.	H	α-helix	trans	-66.1	-41.5	-177.8	-173.9	166.7	-173.8	168.2	0	112.1	C63 I64 L65 M98 F99	C63-K67 WeakPolarHBondContact O-CB 3.33Å; C63-K67 PolarHBondContact O-N 2.98Å; I64-K67 PolarHBondContact O-N 3.14Å; L65-K67 PolarHBondContact O-N 2.91Å; K67-M98 HydrophobicContact CD-CB 4.35Å; K67-M98 HydrophobicContact CD-SD 3.91Å; K67-M98 VanDerWaalsContact CE-CE 3.47Å; K67-M98 WeakPolarHBondContact CE-SD 3.16Å; K67-M98 VanDerWaalsContact NZ-CG 3.33Å; K67-M98 PolarHBondContact NZ-O 3.07Å; K67-F99 HydrophobicContact CD-CZ 4.41Å
68	K	90.4	Very high	87.1	Confident	153 Å²	153	74.6 Å²	74.6	67%	0.665	35%	0.349	S	S	*	.	H	α-helix	trans	-84.6	-36.8	-174.4	-171.7	172.7	175	-175.5	0	113.5	I64 L65	I64-K68 WeakPolarHBondContact O-CB 3.25Å; I64-K68 PolarHBondContact O-N 3.23Å; L65-K68 PolarHBondContact O-N 3.1Å
69	F	91.8	Very high	87	Confident	129 Å²	129	74.5 Å²	74.5	57%	0.566	36%	0.356	S	S	*	.	H	α-helix	trans	-125.5	3.1	-169.4	-55.1	-68.9	0	0	0	114	L65 F71	L65-F69 HydrophobicContact CD2-CD2 3.88Å; L65-F69 HydrophobicContact CD2-CE2 4.05Å; L65-F69 WeakPolarHBondContact O-CA 3.43Å; L65-F69 WeakPolarHBondContact O-CB 3.35Å; L65-F69 PolarHBondContact O-N 2.93Å; F69-F71 HydrophobicContact CB-CB 4.24Å; F69-F71 PolarHBondContact O-N 3.48Å; F69-F71 VanDerWaalsContact O-N 3.12Å
70	K	89.2	Confident	87.1	Confident	170 Å²	170	76.1 Å²	76.1	74%	0.739	36%	0.363	S	S	*	.			trans	52.7	30.2	-169.3	-52.3	-60.9	-175	178.1	0	112.1	K66	K66-K70 WeakPolarHBondContact O-CA 3.4Å; K66-K70 PolarHBondContact O-N 3.22Å
71	F	89.2	Confident	87.3	Confident	80 Å²	80	74 Å²	74	35%	0.351	35%	0.35	S	S	.	.			trans	-70	142.4	-175	179.9	-99.7	0	0	0	112.2	L65 F69 H73	L65-F71 HydrophobicContact CB-CB 3.75Å; L65-F71 HydrophobicContact CB-CD1 3.69Å; L65-F71 HydrophobicContact CB-CG 3.97Å; L65-F71 HydrophobicContact CD1-CD1 3.7Å; L65-F71 HydrophobicContact CD1-CE1 3.84Å; L65-F71 HydrophobicContact CD1-CG 4.4Å; L65-F71 HydrophobicContact CG-CD1 4.31Å; L65-F71 PolarHBondContact O-N 3.39Å; F69-F71 HydrophobicContact CB-CB 4.24Å; F69-F71 PolarHBondContact O-N 3.48Å; F69-F71 VanDerWaalsContact O-N 3.12Å; F71-H73 HydrophobicContact CE1-CB 3.98Å; F71-H73 HydrophobicContact CZ-CB 4.23Å
72	E	86.9	Confident	87.2	Confident	71 Å²	71	75.4 Å²	75.4	33%	0.332	36%	0.355	S	S	.	.			trans	-137.6	126.8	170.8	-65.4	175.1	179.7	0	0	107.7	R74	E72-R74 HydrophobicContact CB-CG 4.14Å; E72-R74 IonicContact OE2-NE 3.42Å
73	H	87.8	Confident	86.9	Confident	65 Å²	65	75.7 Å²	75.7	30%	0.301	36%	0.356	S	S	.	.			trans	-71	-33.7	-177.4	-166.9	-77.2	0	0	0	112.2	F71 D75 L76	F71-H73 HydrophobicContact CE1-CB 3.98Å; F71-H73 HydrophobicContact CZ-CB 4.23Å; H73-D75 PolarHBondContact CE1-O 3.34Å; H73-D75 PolarHBondContact ND1-O 3.45Å; H73-D75 VanDerWaalsContact ND1-O 3.15Å; H73-D75 PolarHBondContact O-N 3.09Å; H73-L76 HydrophobicContact CB-CB 4.14Å; H73-L76 PolarHBondContact ND1-N 2.82Å
74	R	89.2	Confident	86.8	Confident	205 Å²	205	78.7 Å²	78.7	77%	0.774	37%	0.368	S	S	*	.	S	Bend	trans	64.5	-25.3	179.9	-59	-179.5	176.5	175.5	-0.2	116.2	E72	E72-R74 HydrophobicContact CB-CG 4.14Å; E72-R74 IonicContact OE2-NE 3.42Å
75	D	88.6	Confident	86.4	Confident	97 Å²	97	84.6 Å²	84.6	52%	0.519	39%	0.387	S	S	.	.			trans	-134.6	54.7	178.9	-171.5	32.8	0	0	0	112.4	H73 H77 N80	H73-D75 PolarHBondContact CE1-O 3.34Å; H73-D75 PolarHBondContact ND1-O 3.45Å; H73-D75 VanDerWaalsContact ND1-O 3.15Å; H73-D75 PolarHBondContact O-N 3.09Å; D75-H77 PolarHBondContact O-N 3.41Å; D75-H77 IonicContact OD1-CD2 3.83Å; D75-H77 PolarHBondContact OD1-CD2 3.16Å; D75-H77 IonicContact OD2-CD2 3.78Å; D75-H77 IonicContact OD2-NE2 2.7Å; D75-N80 PolarHBondContact O-ND2 2.95Å; D75-N80 PolarHBondContact OD2-ND2 2.83Å
76	L	87.1	Confident	85.8	Confident	26 Å²	26	88.9 Å²	88.9	14%	0.136	40%	0.404	C	S	.	.			trans	-89.7	74.2	-175.8	-169	70.9	0	0	0	111.2	L62 H73 I81 L115	L62-L76 HydrophobicContact CD1-CD2 3.76Å; L62-L76 HydrophobicContact CD2-CD2 4.47Å; H73-L76 HydrophobicContact CB-CB 4.14Å; H73-L76 PolarHBondContact ND1-N 2.82Å; L76-I81 HydrophobicContact CD1-CG1 4.11Å; L76-L115 HydrophobicContact CD2-CD1 3.7Å; L76-L115 HydrophobicContact CG-CD1 4Å; L76-L115 WeakPolarHBondContact O-CD2 3.44Å
77	H	84.8	Confident	85.1	Confident	72 Å²	72	97.3 Å²	97.3	33%	0.333	44%	0.44	S	S	.	.			trans	-94.4	166.6	170.1	67.7	90.3	0	0	0	111.6	D75 G79 N80	D75-H77 PolarHBondContact O-N 3.41Å; D75-H77 IonicContact OD1-CD2 3.83Å; D75-H77 PolarHBondContact OD1-CD2 3.16Å; D75-H77 IonicContact OD2-CD2 3.78Å; D75-H77 IonicContact OD2-NE2 2.7Å; H77-G79 VanDerWaalsContact C-N 3.27Å; H77-G79 WeakPolarHBondContact ND1-CA 3.25Å; H77-G79 PolarHBondContact ND1-N 2.84Å; H77-G79 VanDerWaalsContact ND1-N 3.14Å; H77-G79 PolarHBondContact O-N 2.95Å; H77-N80 PolarHBondContact CD2-ND2 3.15Å; H77-N80 VanDerWaalsContact CD2-ND2 3.34Å; H77-N80 VanDerWaalsContact NE2-CG 3.31Å; H77-N80 PolarHBondContact NE2-ND2 3.48Å; H77-N80 PolarHBondContact NE2-OD1 3.28Å; H77-N80 PolarHBondContact O-N 3.12Å
78	D	81.8	Confident	84.1	Confident	34 Å²	34	96.9 Å²	96.9	18%	0.182	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-48.3	-41.2	177.8	42	29.5	0	0	0	115	N80 I81 K118 Y119	D78-N80 PolarHBondContact O-N 3.45Å; D78-I81 PolarHBondContact O-N 3.49Å; D78-I81 VanDerWaalsContact O-N 3.1Å; D78-K118 IonicContact OD2-NZ 2.75Å; D78-K118 PolarHBondContact OD2-NZ 3.23Å; D78-Y119 HydrophobicContact CB-CE2 4.23Å; D78-Y119 WeakPolarHBondContact CB-OH 3.31Å; D78-Y119 PolarHBondContact OD2-OH 3.46Å
79	G	84.3	Confident	82.6	Confident	28 Å²	28	95.5 Å²	95.5	29%	0.289	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-65.6	-19.5	176	0	0	0	0	0	114.5	T46 H77	T46-G79 WeakPolarHBondContact CG2-O 3.26Å; H77-G79 VanDerWaalsContact C-N 3.27Å; H77-G79 WeakPolarHBondContact ND1-CA 3.25Å; H77-G79 PolarHBondContact ND1-N 2.84Å; H77-G79 VanDerWaalsContact ND1-N 3.14Å; H77-G79 PolarHBondContact O-N 2.95Å
80	N	87.5	Confident	81	Confident	69 Å²	69	94.3 Å²	94.3	37%	0.369	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-95.4	4.3	174.1	-73.7	-15.6	0	0	0	112.8	D75 H77 D78	D75-N80 PolarHBondContact O-ND2 2.95Å; D75-N80 PolarHBondContact OD2-ND2 2.83Å; H77-N80 PolarHBondContact CD2-ND2 3.15Å; H77-N80 VanDerWaalsContact CD2-ND2 3.34Å; H77-N80 VanDerWaalsContact NE2-CG 3.31Å; H77-N80 PolarHBondContact NE2-ND2 3.48Å; H77-N80 PolarHBondContact NE2-OD1 3.28Å; H77-N80 PolarHBondContact O-N 3.12Å; D78-N80 PolarHBondContact O-N 3.45Å
81	I	86.3	Confident	79.4	Confident	6 Å²	6	89.3 Å²	89.3	3%	0.031	45%	0.446	C	S	.	.			trans	-105.8	107.9	175.6	-60.8	164	0	0	0	108.7	T46 L47 L54 L58 L76 D78 L115	T46-I81 WeakPolarHBondContact CA-O 3.23Å; L47-I81 HydrophobicContact CB-CB 4.21Å; L47-I81 HydrophobicContact CB-CG2 4.26Å; L47-I81 HydrophobicContact CD2-CD1 4.25Å; L47-I81 HydrophobicContact CD2-CG2 4.39Å; L47-I81 PolarHBondContact N-O 3.27Å; L54-I81 HydrophobicContact CD1-CG2 4.06Å; L54-I81 HydrophobicContact CD2-CG2 4.03Å; L54-I81 HydrophobicContact CG-CG2 4.44Å; L58-I81 HydrophobicContact CD1-CD1 3.75Å; L58-I81 HydrophobicContact CD1-CG1 4.31Å; L58-I81 HydrophobicContact CD1-CG2 4.21Å; L58-I81 HydrophobicContact CD2-CG1 4.26Å; L58-I81 HydrophobicContact CD2-CG2 4.23Å; L76-I81 HydrophobicContact CD1-CG1 4.11Å; D78-I81 PolarHBondContact O-N 3.49Å; D78-I81 VanDerWaalsContact O-N 3.1Å; I81-L115 HydrophobicContact CD1-CD1 4.01Å; I81-L115 HydrophobicContact CD1-CD2 4.19Å
82	L	85.2	Confident	77.8	Confident	92 Å²	92	94.2 Å²	94.2	48%	0.482	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	131.8	179.7	-59.4	-179.3	0	0	0	111.1	I40 A44 V45 T46	I40-L82 HydrophobicContact CD1-CD1 4.35Å; A44-L82 HydrophobicContact CB-CB 3.77Å; A44-L82 HydrophobicContact CB-CD1 4.32Å; V45-L82 CarbonylContact O-C 3.6Å; T46-L82 HydrophobicContact CG2-CD2 3.91Å
83	L	83.1	Confident	76.3	Confident	20 Å²	20	95.9 Å²	95.9	11%	0.105	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128	177.7	-62.3	-177.8	0	0	0	110.7	A44 V45 L47 L54	A44-L83 CarbonylContact C-O 3.51Å; A44-L83 VanDerWaalsContact CA-O 3.25Å; A44-L83 WeakPolarHBondContact CA-O 3.39Å; V45-L83 HydrophobicContact CG2-CB 4.21Å; V45-L83 PolarHBondContact N-O 2.87Å; V45-L83 PolarHBondContact O-N 3.4Å; L47-L83 HydrophobicContact CD1-CD1 3.54Å; L47-L83 HydrophobicContact CD1-CD2 4.32Å; L47-L83 HydrophobicContact CD1-CG 4.12Å; L54-L83 HydrophobicContact CD1-CD2 3.41Å; L54-L83 VanDerWaalsContact CD1-CD2 3.41Å; L54-L83 HydrophobicContact CD2-CD2 3.78Å; L54-L83 HydrophobicContact CG-CD2 4.12Å
84	K	82.4	Confident	74.5	Confident	78 Å²	78	98.5 Å²	98.5	34%	0.339	49%	0.494	S	S	.	.			trans	-118.2	115	168	-176.3	166.7	-173.8	157	0	109.7	E41 R42 D43 K86	E41-K84 IonicContact OE1-NZ 3.7Å; E41-K84 PolarHBondContact OE1-NZ 2.99Å; R42-K84 PolarHBondContact O-NZ 3.42Å; D43-K84 IonicContact OD2-NZ 3.66Å; K84-K86 PolarHBondContact O-N 2.68Å
85	Y	77.3	Confident	72.9	Confident	185 Å²	185	91.6 Å²	91.6	73%	0.725	48%	0.475	S	S	*	.			trans	-71.2	124.8	176.8	-66.1	-85	0	0	0	109.9	V45	V45-Y85 HydrophobicContact CG2-CE2 4.16Å
86	K	75.9	Confident	70.8	Confident	140 Å²	140	95.6 Å²	95.6	61%	0.609	49%	0.487	S	S	*	.			trans	-107.6	141.6	173.3	-67.2	-170.2	176.9	-177.5	0	109.2	K84 T88	K84-K86 PolarHBondContact O-N 2.68Å; K86-T88 PolarHBondContact O-N 3.48Å
87	K	71	Confident	69	Low	224 Å²	224	104.8 Å²	104.8	97%	0.974	53%	0.526	S	S	*	.	S	Bend	trans	-65.5	-18.8	173.3	-69.5	-175.3	177.6	-179	0	112.6
88	T	67.1	Low	67.2	Low	90 Å²	90	107 Å²	107	55%	0.552	54%	0.538	S	S	*	.			trans	-90.3	128	-178	52.4	0	0	0	0	111.5	K86 T90	K86-T88 PolarHBondContact O-N 3.48Å; T88-T90 PolarHBondContact O-N 2.95Å
89	S	57.7	Low	65.6	Low	125 Å²	125	109.5 Å²	109.5	87%	0.874	55%	0.547	S	S	*	.	S	Bend	trans	-72.8	-8.3	-178.4	49.6	0	0	0	0	114.8
90	T	57.9	Low	63.8	Low	104 Å²	104	111.3 Å²	111.3	64%	0.638	56%	0.556	S	S	*	*			trans	-126.9	121	-174.9	59.1	0	0	0	0	111.5	T88	T88-T90 PolarHBondContact O-N 2.95Å
91	S	56.9	Low	61.9	Low	65 Å²	65	112.3 Å²	112.3	46%	0.455	57%	0.574	S	S	.	*			trans	-105.8	120.3	162.5	-66.8	0	0	0	0	108.1	Y93	S91-Y93 PolarHBondContact O-N 3.48Å
92	Q	55.7	Low	59.9	Low	182 Å²	182	121.3 Å²	121.3	85%	0.85	61%	0.613	S	S	*	*			trans	-81.2	111.8	176.6	-74.4	-177.1	-10.8	0	0	109.8
93	Y	53.7	Low	58.1	Low	107 Å²	107	123 Å²	123	42%	0.42	62%	0.622	S	S	.	*			trans	-86.9	106.3	166.7	-66.6	-88.9	0	0	0	108.4	Q57 V60 S91 V95	Q57-Y93 HydrophobicContact CG-CE2 4.22Å; Q57-Y93 WeakPolarHBondContact CG-OH 3.22Å; Q57-Y93 PolarHBondContact OE1-OH 3.34Å; V60-Y93 HydrophobicContact CG1-CD1 4.27Å; S91-Y93 PolarHBondContact O-N 3.48Å; Y93-V95 VanDerWaalsContact C-N 3.28Å; Y93-V95 PolarHBondContact O-N 3.09Å
94	V	51.2	Low	56.7	Low	120 Å²	120	126 Å²	126	73%	0.727	64%	0.638	S	S	*	*			trans	-78.9	85.6	170.4	-176.6	0	0	0	0	108.5	K96	V94-K96 HydrophobicContact CG1-CG 4.45Å; V94-K96 PolarHBondContact O-N 3.15Å
95	V	54.6	Low	55.4	Low	59 Å²	59	125 Å²	125	36%	0.358	64%	0.639	S	S	.	*			trans	-87.3	94	171.9	-176.2	0	0	0	0	107.9	V60 Y93 K97 F99	V60-V95 HydrophobicContact CG1-CG2 4.39Å; Y93-V95 VanDerWaalsContact C-N 3.28Å; Y93-V95 PolarHBondContact O-N 3.09Å; V95-K97 PolarHBondContact O-N 3.46Å; V95-F99 HydrophobicContact CG1-CD2 3.21Å; V95-F99 HydrophobicContact CG1-CE2 3.7Å; V95-F99 HydrophobicContact CG1-CG 4.26Å
96	K	46	Very low	54.4	Low	181 Å²	181	123.8 Å²	123.8	79%	0.787	64%	0.64	S	S	*	*			trans	-61.7	97.7	173.4	-75.8	-172.1	177	-176.7	0	109.6	V94 M98	V94-K96 HydrophobicContact CG1-CG 4.45Å; V94-K96 PolarHBondContact O-N 3.15Å; K96-M98 WeakPolarHBondContact O-CA 3.22Å; K96-M98 VanDerWaalsContact O-CB 3.25Å; K96-M98 WeakPolarHBondContact O-CB 3.46Å; K96-M98 PolarHBondContact O-N 2.99Å
97	K	48	Very low	53.2	Low	220 Å²	220	122.1 Å²	122.1	96%	0.957	63%	0.633	S	S	*	*	S	Bend	trans	24.7	28.7	166.5	-90.2	-168.6	179.2	-178.9	0	119.3	V95	V95-K97 PolarHBondContact O-N 3.46Å
98	M	47	Very low	52.5	Low	117 Å²	117	111.9 Å²	111.9	58%	0.576	59%	0.59	S	S	*	*			trans	-103.9	0.4	-171	-103.8	-169.1	152.5	0	0	113.4	K67 K96	K67-M98 HydrophobicContact CD-CB 4.35Å; K67-M98 HydrophobicContact CD-SD 3.91Å; K67-M98 VanDerWaalsContact CE-CE 3.47Å; K67-M98 WeakPolarHBondContact CE-SD 3.16Å; K67-M98 VanDerWaalsContact NZ-CG 3.33Å; K67-M98 PolarHBondContact NZ-O 3.07Å; K96-M98 WeakPolarHBondContact O-CA 3.22Å; K96-M98 VanDerWaalsContact O-CB 3.25Å; K96-M98 WeakPolarHBondContact O-CB 3.46Å; K96-M98 PolarHBondContact O-N 2.99Å
99	F	48	Very low	52.2	Low	87 Å²	87	110.7 Å²	110.7	38%	0.382	58%	0.58	S	S	.	*			trans	-122.9	106.2	-177.1	-62.9	-86.4	0	0	0	109.7	C63 I64 K67 V95	C63-F99 HydrophobicContact CB-CD1 4.49Å; C63-F99 HydrophobicContact CB-CE1 3.68Å; C63-F99 HydrophobicContact CB-CZ 4.17Å; I64-F99 HydrophobicContact CG1-CE2 3.93Å; I64-F99 HydrophobicContact CG1-CZ 3.82Å; K67-F99 HydrophobicContact CD-CZ 4.41Å; V95-F99 HydrophobicContact CG1-CD2 3.21Å; V95-F99 HydrophobicContact CG1-CE2 3.7Å; V95-F99 HydrophobicContact CG1-CG 4.26Å
100	S	46.5	Very low	52.3	Low	66 Å²	66	110.2 Å²	110.2	46%	0.462	56%	0.563	S	S	.	*			trans	-86.8	137.2	152.3	116.8	0	0	0	0	106.1	K102 N103	S100-K102 PolarHBondContact O-N 3.45Å; S100-K102 PolarHBondContact OG-N 3.44Å; S100-N103 PolarHBondContact O-N 2.83Å
101	A	47.6	Very low	52.5	Low	91 Å²	91	106.8 Å²	106.8	75%	0.752	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-55.6	-16.3	-179.1	0	0	0	0	0	113.6	N103	A101-N103 VanDerWaalsContact C-N 3.29Å; A101-N103 PolarHBondContact O-N 3.15Å
102	K	44.7	Very low	52.8	Low	195 Å²	195	104.7 Å²	104.7	85%	0.848	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-75.2	-10.8	177.7	-68.3	-172.1	172.2	-170.1	0	114.6	S100	S100-K102 PolarHBondContact O-N 3.45Å; S100-K102 PolarHBondContact OG-N 3.44Å
103	N	48.3	Very low	53.1	Low	126 Å²	126	99.7 Å²	99.7	67%	0.674	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-117.7	40.7	-176.4	-75.6	-38.9	0	0	0	113	S100 A101 C105	S100-N103 PolarHBondContact O-N 2.83Å; A101-N103 VanDerWaalsContact C-N 3.29Å; A101-N103 PolarHBondContact O-N 3.15Å; N103-C105 PolarHBondContact O-N 2.97Å; N103-C105 VanDerWaalsContact O-N 3.13Å
104	I	53.9	Low	53.6	Low	85 Å²	85	99.2 Å²	99.2	44%	0.436	51%	0.505	S	S	.	.			trans	-68.4	110.5	164	-59.9	175.3	0	0	0	106.6	H106 L109	I104-H106 PolarHBondContact O-N 2.89Å; I104-L109 HydrophobicContact CB-CD1 4.23Å; I104-L109 HydrophobicContact CG2-CD1 3.6Å; I104-L109 HydrophobicContact CG2-CG 3.9Å
105	C	54.2	Low	54.2	Low	55 Å²	55	94.1 Å²	94.1	37%	0.372	47%	0.473	S	S	.	.			trans	-56.4	121.2	-179.5	-89.6	0	0	0	0	110.7	K66 N103 F107 A108 L109	K66-C105 HydrophobicContact CD-CB 3.82Å; N103-C105 PolarHBondContact O-N 2.97Å; N103-C105 VanDerWaalsContact O-N 3.13Å; C105-F107 PolarHBondContact O-N 3.16Å; C105-A108 PolarHBondContact O-N 3.38Å; C105-L109 PolarHBondContact O-N 2.99Å
106	H	56.3	Low	54.5	Low	160 Å²	160	92.9 Å²	92.9	74%	0.741	47%	0.466	S	S	*	.	H	α-helix	trans	-42.2	-30.4	174.8	-87.6	115.5	0	0	0	114.9	I104 L109 F110	I104-H106 PolarHBondContact O-N 2.89Å; H106-L109 VanDerWaalsContact O-CB 3.32Å; H106-L109 WeakPolarHBondContact O-CB 3.49Å; H106-L109 PolarHBondContact O-N 3.47Å; H106-F110 PolarHBondContact O-N 3.19Å; H106-F110 VanDerWaalsContact O-N 3.07Å
107	F	52	Low	55.2	Low	106 Å²	106	90.9 Å²	90.9	47%	0.465	46%	0.459	S	S	.	.	H	α-helix	trans	-79.9	-32.8	-179.5	-121.1	-90.9	0	0	0	114.5	C105 F110 Q111	C105-F107 PolarHBondContact O-N 3.16Å; F107-F110 PolarHBondContact O-N 2.91Å; F107-Q111 PolarHBondContact O-N 2.88Å
108	A	56.3	Low	55.8	Low	8 Å²	8	86.3 Å²	86.3	7%	0.066	44%	0.439	C	S	.	.	H	α-helix	trans	-66.5	-35.6	170.4	0	0	0	0	0	109.5	C105 L112	C105-A108 PolarHBondContact O-N 3.38Å; A108-L112 WeakPolarHBondContact O-CB 3.28Å; A108-L112 PolarHBondContact O-N 2.84Å; A108-L112 VanDerWaalsContact O-N 3.07Å
109	L	59.6	Low	56.2	Low	65 Å²	65	83.4 Å²	83.4	34%	0.34	42%	0.422	S	S	.	.	H	α-helix	trans	-60.6	-42.9	170.9	-83.3	141.8	0	0	0	112.2	I104 C105 H106 L112 M113	I104-L109 HydrophobicContact CB-CD1 4.23Å; I104-L109 HydrophobicContact CG2-CD1 3.6Å; I104-L109 HydrophobicContact CG2-CG 3.9Å; C105-L109 PolarHBondContact O-N 2.99Å; H106-L109 VanDerWaalsContact O-CB 3.32Å; H106-L109 WeakPolarHBondContact O-CB 3.49Å; H106-L109 PolarHBondContact O-N 3.47Å; L109-L112 CarbonylContact O-C 3.46Å; L109-L112 PolarHBondContact O-N 3.27Å; L109-M113 WeakPolarHBondContact O-CA 3.47Å; L109-M113 VanDerWaalsContact O-CB 3.28Å; L109-M113 WeakPolarHBondContact O-CB 3.45Å; L109-M113 WeakPolarHBondContact O-CG 3.29Å; L109-M113 PolarHBondContact O-N 2.82Å
110	F	60.7	Low	56.5	Low	116 Å²	116	81.9 Å²	81.9	51%	0.509	42%	0.417	S	S	.	.	H	α-helix	trans	-66.5	-44.7	-178.3	-170.5	-101.3	0	0	0	113.9	H106 F107 L112 M113 L114	H106-F110 PolarHBondContact O-N 3.19Å; H106-F110 VanDerWaalsContact O-N 3.07Å; F107-F110 PolarHBondContact O-N 2.91Å; F110-L112 VanDerWaalsContact C-N 3.31Å; F110-L112 PolarHBondContact O-N 3.42Å; F110-M113 HydrophobicContact CD2-CE 4.15Å; F110-M113 WeakPolarHBondContact O-CB 3.22Å; F110-M113 PolarHBondContact O-N 3.45Å; F110-L114 HydrophobicContact CE1-CD1 4.31Å; F110-L114 PolarHBondContact O-N 3.42Å
111	Q	61.1	Low	56.2	Low	32 Å²	32	84.9 Å²	84.9	15%	0.15	43%	0.429	C	S	.	.	H	α-helix	trans	-67.5	-35	175.7	-81.5	166.5	-11.8	0	0	111.9	F107	F107-Q111 PolarHBondContact O-N 2.88Å
112	L	64.5	Low	55.7	Low	20 Å²	20	86.4 Å²	86.4	11%	0.105	43%	0.43	C	S	.	.	H	α-helix	trans	-69.9	-34.6	172.8	-150.6	86.6	0	0	0	111.7	L55 V59 A108 L109 F110 L114 L115 T116	L55-L112 HydrophobicContact CD1-CD1 3.67Å; L55-L112 HydrophobicContact CD1-CD2 3.93Å; L55-L112 HydrophobicContact CD1-CG 3.76Å; L55-L112 HydrophobicContact CD2-CD2 4.27Å; L55-L112 HydrophobicContact CG-CD1 4.38Å; L55-L112 HydrophobicContact CG-CD2 4.04Å; L55-L112 HydrophobicContact CG-CG 4.41Å; V59-L112 HydrophobicContact CG2-CD1 3.47Å; V59-L112 VanDerWaalsContact CG2-CD1 3.47Å; V59-L112 HydrophobicContact CG2-CD2 3.22Å; V59-L112 HydrophobicContact CG2-CG 3.94Å; A108-L112 WeakPolarHBondContact O-CB 3.28Å; A108-L112 PolarHBondContact O-N 2.84Å; A108-L112 VanDerWaalsContact O-N 3.07Å; L109-L112 CarbonylContact O-C 3.46Å; L109-L112 PolarHBondContact O-N 3.27Å; F110-L112 VanDerWaalsContact C-N 3.31Å; F110-L112 PolarHBondContact O-N 3.42Å; L112-L114 VanDerWaalsContact C-N 3.32Å; L112-L114 PolarHBondContact O-N 3.33Å; L112-L115 CarbonylContact O-C 3.53Å; L112-L115 WeakPolarHBondContact O-CA 3.35Å; L112-L115 WeakPolarHBondContact O-CB 3.46Å; L112-L115 PolarHBondContact O-N 3.01Å; L112-L115 VanDerWaalsContact O-N 3.08Å; L112-T116 HydrophobicContact CD2-CG2 4.35Å; L112-T116 HydrophobicContact CG-CG2 4.37Å; L112-T116 WeakPolarHBondContact O-CG2 2.98Å; L112-T116 PolarHBondContact O-N 2.76Å; L112-T116 PolarHBondContact O-OG1 3.4Å
113	M	62	Low	55.3	Low	78 Å²	78	82.7 Å²	82.7	38%	0.384	42%	0.424	S	S	.	.	H	α-helix	trans	-57.9	-45.2	179.5	-88.6	168.8	45.9	0	0	111	L109 F110 L115 T116 E117	L109-M113 WeakPolarHBondContact O-CA 3.47Å; L109-M113 VanDerWaalsContact O-CB 3.28Å; L109-M113 WeakPolarHBondContact O-CB 3.45Å; L109-M113 WeakPolarHBondContact O-CG 3.29Å; L109-M113 PolarHBondContact O-N 2.82Å; F110-M113 HydrophobicContact CD2-CE 4.15Å; F110-M113 WeakPolarHBondContact O-CB 3.22Å; F110-M113 PolarHBondContact O-N 3.45Å; M113-L115 VanDerWaalsContact C-N 3.29Å; M113-L115 PolarHBondContact O-N 2.79Å; M113-T116 VanDerWaalsContact CA-OG1 3.22Å; M113-T116 WeakPolarHBondContact CA-OG1 3.25Å; M113-T116 CarbonylContact O-C 3.5Å; M113-T116 PolarHBondContact O-N 2.93Å; M113-T116 VanDerWaalsContact O-N 3.1Å; M113-T116 PolarHBondContact O-OG1 3.49Å; M113-E117 WeakPolarHBondContact O-CB 3.38Å; M113-E117 WeakPolarHBondContact O-CG 3.3Å; M113-E117 PolarHBondContact O-N 2.94Å
114	L	63.2	Low	54.8	Low	97 Å²	97	83.3 Å²	83.3	51%	0.508	43%	0.427	S	S	.	.	H	α-helix	trans	-61.9	-38.1	176.4	-65.4	171.9	0	0	0	112.2	F110 L112 K118	F110-L114 HydrophobicContact CE1-CD1 4.31Å; F110-L114 PolarHBondContact O-N 3.42Å; L112-L114 VanDerWaalsContact C-N 3.32Å; L112-L114 PolarHBondContact O-N 3.33Å; L114-K118 PolarHBondContact O-N 3.34Å
115	L	63.2	Low	53.6	Low	13 Å²	13	85 Å²	85	7%	0.068	44%	0.441	C	S	.	.	H	α-helix	trans	-68.6	-41	172.7	-70.6	172.6	0	0	0	111.3	L76 I81 L112 M113 K118 Y119	L76-L115 HydrophobicContact CD2-CD1 3.7Å; L76-L115 HydrophobicContact CG-CD1 4Å; L76-L115 WeakPolarHBondContact O-CD2 3.44Å; I81-L115 HydrophobicContact CD1-CD1 4.01Å; I81-L115 HydrophobicContact CD1-CD2 4.19Å; L112-L115 CarbonylContact O-C 3.53Å; L112-L115 WeakPolarHBondContact O-CA 3.35Å; L112-L115 WeakPolarHBondContact O-CB 3.46Å; L112-L115 PolarHBondContact O-N 3.01Å; L112-L115 VanDerWaalsContact O-N 3.08Å; M113-L115 VanDerWaalsContact C-N 3.29Å; M113-L115 PolarHBondContact O-N 2.79Å; L115-K118 PolarHBondContact O-N 3.37Å; L115-Y119 HydrophobicContact CD2-CE2 4.38Å; L115-Y119 VanDerWaalsContact O-CB 3.23Å; L115-Y119 WeakPolarHBondContact O-CB 3.29Å; L115-Y119 WeakPolarHBondContact O-CD2 3.16Å; L115-Y119 PolarHBondContact O-N 3.29Å
116	T	61.8	Low	52.7	Low	33 Å²	33	86.5 Å²	86.5	20%	0.202	46%	0.458	C	S	.	.	H	α-helix	trans	-70.8	-35.3	178.3	58.7	0	0	0	0	112.2	L55 L112 M113 K118 Y119 I120	L55-T116 HydrophobicContact CD1-CG2 4.31Å; L55-T116 HydrophobicContact CD2-CG2 4.05Å; L112-T116 HydrophobicContact CD2-CG2 4.35Å; L112-T116 HydrophobicContact CG-CG2 4.37Å; L112-T116 WeakPolarHBondContact O-CG2 2.98Å; L112-T116 PolarHBondContact O-N 2.76Å; L112-T116 PolarHBondContact O-OG1 3.4Å; M113-T116 VanDerWaalsContact CA-OG1 3.22Å; M113-T116 WeakPolarHBondContact CA-OG1 3.25Å; M113-T116 CarbonylContact O-C 3.5Å; M113-T116 PolarHBondContact O-N 2.93Å; M113-T116 VanDerWaalsContact O-N 3.1Å; M113-T116 PolarHBondContact O-OG1 3.49Å; T116-K118 VanDerWaalsContact C-N 3.31Å; T116-K118 PolarHBondContact O-N 2.98Å; T116-Y119 CarbonylContact O-C 3.56Å; T116-Y119 PolarHBondContact O-N 3.24Å; T116-Y119 VanDerWaalsContact O-N 3.12Å; T116-I120 HydrophobicContact CG2-CD1 3.45Å; T116-I120 VanDerWaalsContact CG2-CD1 3.45Å; T116-I120 HydrophobicContact CG2-CG1 4.17Å; T116-I120 VanDerWaalsContact O-CA 3.25Å; T116-I120 WeakPolarHBondContact O-CA 3.01Å; T116-I120 WeakPolarHBondContact O-CB 3.22Å; T116-I120 PolarHBondContact O-N 2.86Å
117	E	60.3	Low	51.4	Low	139 Å²	139	85.2 Å²	85.2	65%	0.65	46%	0.461	S	S	*	.	H	α-helix	trans	-64.6	-38.9	175.3	-76.9	175.4	-174.9	0	0	111.2	M113 Y119	M113-E117 WeakPolarHBondContact O-CB 3.38Å; M113-E117 WeakPolarHBondContact O-CG 3.3Å; M113-E117 PolarHBondContact O-N 2.94Å; E117-Y119 VanDerWaalsContact C-N 3.3Å; E117-Y119 PolarHBondContact O-N 3.04Å
118	K	60.2	Low	50.3	Low	124 Å²	124	85.5 Å²	85.5	54%	0.539	48%	0.475	S	S	.	.	H	α-helix	trans	-70.3	-26.9	174.4	-163.7	175	-178.3	-174.9	0	112.5	D78 L114 L115 T116	D78-K118 IonicContact OD2-NZ 2.75Å; D78-K118 PolarHBondContact OD2-NZ 3.23Å; L114-K118 PolarHBondContact O-N 3.34Å; L115-K118 PolarHBondContact O-N 3.37Å; T116-K118 VanDerWaalsContact C-N 3.31Å; T116-K118 PolarHBondContact O-N 2.98Å
119	Y	57.1	Low	49.1	Very low	56 Å²	56	89.8 Å²	89.8	22%	0.22	51%	0.511	C	S	.	.	H	α-helix	trans	-128.7	5	-166.2	-62.6	-63.3	0	0	0	117.1	R50 D78 L115 T116 E117	R50-Y119 WeakPolarHBondContact CD-O 3.06Å; R50-Y119 HydrophobicContact CG-CD1 4.47Å; R50-Y119 PolarHBondContact NE-O 3.09Å; R50-Y119 PolarHBondContact NH1-O 3.13Å; R50-Y119 PolarHBondContact NH2-O 3.35Å; D78-Y119 HydrophobicContact CB-CE2 4.23Å; D78-Y119 WeakPolarHBondContact CB-OH 3.31Å; D78-Y119 PolarHBondContact OD2-OH 3.46Å; L115-Y119 HydrophobicContact CD2-CE2 4.38Å; L115-Y119 VanDerWaalsContact O-CB 3.23Å; L115-Y119 WeakPolarHBondContact O-CB 3.29Å; L115-Y119 WeakPolarHBondContact O-CD2 3.16Å; L115-Y119 PolarHBondContact O-N 3.29Å; T116-Y119 CarbonylContact O-C 3.56Å; T116-Y119 PolarHBondContact O-N 3.24Å; T116-Y119 VanDerWaalsContact O-N 3.12Å; E117-Y119 VanDerWaalsContact C-N 3.3Å; E117-Y119 PolarHBondContact O-N 3.04Å
120	I	52.4	Low	48	Very low	54 Å²	54	96.8 Å²	96.8	28%	0.277	56%	0.556	S	S	.	*	S	Bend	trans	-139.8	121	-176.8	-59.8	-169.9	0	0	0	107.9	L55 T116 L124	L55-I120 HydrophobicContact CD2-CD1 3.97Å; T116-I120 HydrophobicContact CG2-CD1 3.45Å; T116-I120 VanDerWaalsContact CG2-CD1 3.45Å; T116-I120 HydrophobicContact CG2-CG1 4.17Å; T116-I120 VanDerWaalsContact O-CA 3.25Å; T116-I120 WeakPolarHBondContact O-CA 3.01Å; T116-I120 WeakPolarHBondContact O-CB 3.22Å; T116-I120 PolarHBondContact O-N 2.86Å; I120-L124 HydrophobicContact CD1-CD1 4.22Å; I120-L124 HydrophobicContact CG2-CB 4.37Å; I120-L124 HydrophobicContact CG2-CD1 3.71Å; I120-L124 HydrophobicContact CG2-CG 4.42Å
121	N	41.4	Very low	47.4	Very low	130 Å²	130	95.8 Å²	95.8	70%	0.695	56%	0.559	S	S	*	*			trans	-52	138.3	168.9	-125.1	-21.8	0	0	0	108.8	T123	N121-T123 PolarHBondContact O-N 3.12Å
122	P	36.5	Very low	46.6	Very low	122 Å²	122	99.2 Å²	99.2	79%	0.792	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	25.4	-165.6	26.1	-34.1	0	0	0	116.5
123	T	37.1	Very low	45.6	Very low	117 Å²	117	103.6 Å²	103.6	72%	0.718	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-4.3	-176.4	-25.5	0	0	0	0	114	N121 T125	N121-T123 PolarHBondContact O-N 3.12Å; T123-T125 VanDerWaalsContact C-N 3.34Å; T123-T125 PolarHBondContact O-N 2.76Å
124	L	36.8	Very low	44.7	Very low	140 Å²	140	105.1 Å²	105.1	73%	0.733	62%	0.62	S	S	*	*			trans	-88.8	74	172.6	-82.7	165.2	0	0	0	110.4	I120 A126	I120-L124 HydrophobicContact CD1-CD1 4.22Å; I120-L124 HydrophobicContact CG2-CB 4.37Å; I120-L124 HydrophobicContact CG2-CD1 3.71Å; I120-L124 HydrophobicContact CG2-CG 4.42Å; L124-A126 PolarHBondContact O-N 3.2Å; L124-A126 VanDerWaalsContact O-N 3.1Å
125	T	29.6	Very low	43.5	Very low	120 Å²	120	105.6 Å²	105.6	74%	0.736	63%	0.627	S	S	*	*			trans	-60	107.3	162.2	38.7	0	0	0	0	109.2	T123 T127	T123-T125 VanDerWaalsContact C-N 3.34Å; T123-T125 PolarHBondContact O-N 2.76Å; T125-T127 PolarHBondContact O-N 2.8Å
126	A	34.1	Very low	42.2	Very low	87 Å²	87	111.7 Å²	111.7	72%	0.719	66%	0.664	S	S	*	*			trans	-68.6	97.8	164.7	0	0	0	0	0	108.5	L124 C128	L124-A126 PolarHBondContact O-N 3.2Å; L124-A126 VanDerWaalsContact O-N 3.1Å; A126-C128 VanDerWaalsContact C-N 3.33Å; A126-C128 PolarHBondContact O-N 3.21Å
127	T	29.2	Very low	40.8	Very low	133 Å²	133	117.4 Å²	117.4	82%	0.816	70%	0.697	S	S	*	*			trans	-67.4	94.5	160.6	40.7	0	0	0	0	108.4	T125 A129	T125-T127 PolarHBondContact O-N 2.8Å; T127-A129 PolarHBondContact O-N 2.67Å
128	C	28.9	Very low	39.3	Very low	112 Å²	112	115.7 Å²	115.7	76%	0.757	70%	0.7	S	S	*	*			trans	-73.8	103.2	155.4	-82.1	0	0	0	0	107.3	A126 T130	A126-C128 VanDerWaalsContact C-N 3.33Å; A126-C128 PolarHBondContact O-N 3.21Å; C128-T130 PolarHBondContact O-N 2.83Å
129	A	31.3	Very low	37.6	Very low	98 Å²	98	115 Å²	115	81%	0.81	71%	0.714	S	S	*	*			trans	-65.5	118.7	165.8	0	0	0	0	0	109.2	T127	T127-A129 PolarHBondContact O-N 2.67Å
130	T	36.6	Very low	35.8	Very low	211 Å²	211	120.4 Å²	120.4	100%	1.294	76%	0.759	S	S	*	*			trans	-66.3	0	150.2	44.8	0	0	0	0	109.9	C128	C128-T130 PolarHBondContact O-N 2.83Å

Retrieved 130 of 130 residues in 178 ms (Link to these results)

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