A0A077Z1C0_TRITR Loading...

WRW domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1C0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 116 aa.

						>A0A077Z1C0_TRITR|A0A077Z1C0
MEVAQLFKIVMNAGEWIWKKYLMKSELGLLPKEYNKKIHGVYCPWRYYGKKDINFFDVKLGDLPAWYARRDKSFKAFRAAIGRGLNGAFSNATCKIAFNDFQVTTNGCTTGFRHVV
					

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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	55.6	Low	78.2	Confident	226 Å²	226	124.2 Å²	124.2	100%	1.113	64%	0.635	S	S	*	*				0	110.8	0	-61.3	-158.3	-61.4	0	0	107.3
2	E	70.2	Confident	78.8	Confident	145 Å²	145	122.8 Å²	122.8	68%	0.678	63%	0.63	S	S	*	*			trans	-65.4	138.6	-177.9	-80.3	-164.6	119.1	0	0	111.3	A4 Q5	E2-A4 HydrophobicContact CB-CB 4.48Å; E2-A4 PolarHBondContact O-N 3.45Å; E2-Q5 PolarHBondContact O-N 3.4Å
3	V	80.5	Confident	79.3	Confident	124 Å²	124	117.1 Å²	117.1	75%	0.752	61%	0.612	S	S	*	*	H	α-helix	trans	-49.6	-31.9	174.6	-177.8	0	0	0	0	111.6	Q5 L6 F7	V3-Q5 PolarHBondContact O-N 2.82Å; V3-L6 PolarHBondContact O-N 3.49Å; V3-F7 PolarHBondContact O-N 2.93Å
4	A	78.9	Confident	79.7	Confident	55 Å²	55	111.4 Å²	111.4	46%	0.455	60%	0.596	S	S	.	*	H	α-helix	trans	-63	-35.6	177	0	0	0	0	0	114.2	E2 K8	E2-A4 HydrophobicContact CB-CB 4.48Å; E2-A4 PolarHBondContact O-N 3.45Å; A4-K8 WeakPolarHBondContact O-CG 3.27Å; A4-K8 PolarHBondContact O-N 2.92Å
5	Q	79.7	Confident	79.8	Confident	124 Å²	124	110.7 Å²	110.7	58%	0.579	59%	0.588	S	S	*	*	H	α-helix	trans	-74.5	-37.5	177.2	-68.2	-159.8	-28.8	0	0	111.6	E2 V3 K8 I9	E2-Q5 PolarHBondContact O-N 3.4Å; V3-Q5 PolarHBondContact O-N 2.82Å; Q5-K8 PolarHBondContact O-N 3.41Å; Q5-I9 WeakPolarHBondContact O-CG1 3.49Å; Q5-I9 PolarHBondContact O-N 3.14Å; Q5-I9 VanDerWaalsContact O-N 3.14Å
6	L	80.2	Confident	79.9	Confident	111 Å²	111	112.9 Å²	112.9	58%	0.581	59%	0.586	S	S	*	*	H	α-helix	trans	-63	-42.9	175.9	-171	71.1	0	0	0	111.2	V3 K8 I9 V10	V3-L6 PolarHBondContact O-N 3.49Å; L6-K8 VanDerWaalsContact C-N 3.34Å; L6-K8 PolarHBondContact O-N 3.22Å; L6-I9 PolarHBondContact O-N 3.4Å; L6-V10 WeakPolarHBondContact O-CG2 3.5Å; L6-V10 PolarHBondContact O-N 3.38Å
7	F	82.7	Confident	80.1	Confident	139 Å²	139	111.4 Å²	111.4	61%	0.61	58%	0.577	S	S	*	*	H	α-helix	trans	-59.7	-42.6	177.9	-169.5	-101.1	0	0	0	112.1	V3 V10 M11	V3-F7 PolarHBondContact O-N 2.93Å; F7-V10 PolarHBondContact O-N 3.42Å; F7-M11 HydrophobicContact CD1-CG 4.1Å; F7-M11 HydrophobicContact CE1-CG 3.77Å; F7-M11 HydrophobicContact CE2-CG 4.4Å; F7-M11 HydrophobicContact CZ-CG 3.94Å; F7-M11 HydrophobicContact CZ-SD 4.16Å; F7-M11 WeakPolarHBondContact O-CB 3.3Å; F7-M11 VanDerWaalsContact O-CG 3.3Å; F7-M11 WeakPolarHBondContact O-CG 3.39Å; F7-M11 PolarHBondContact O-N 2.96Å
8	K	82.5	Confident	79.9	Confident	143 Å²	143	113.3 Å²	113.3	62%	0.622	58%	0.576	S	S	*	*	H	α-helix	trans	-63.1	-42.4	175.8	-70.7	176.5	-179.8	177.9	0	112.5	A4 Q5 L6 N12	A4-K8 WeakPolarHBondContact O-CG 3.27Å; A4-K8 PolarHBondContact O-N 2.92Å; Q5-K8 PolarHBondContact O-N 3.41Å; L6-K8 VanDerWaalsContact C-N 3.34Å; L6-K8 PolarHBondContact O-N 3.22Å; K8-N12 VanDerWaalsContact O-CB 3.27Å; K8-N12 WeakPolarHBondContact O-CB 3.36Å; K8-N12 PolarHBondContact O-N 3.36Å; K8-N12 PolarHBondContact O-ND2 2.98Å; K8-N12 PolarHBondContact O-OD1 3.35Å
9	I	83.4	Confident	79.8	Confident	112 Å²	112	113.3 Å²	113.3	57%	0.574	57%	0.571	S	S	*	*	H	α-helix	trans	-63.4	-44.9	177.9	-66.8	166.5	0	0	0	110.6	Q5 L6 N12 A13	Q5-I9 WeakPolarHBondContact O-CG1 3.49Å; Q5-I9 PolarHBondContact O-N 3.14Å; Q5-I9 VanDerWaalsContact O-N 3.14Å; L6-I9 PolarHBondContact O-N 3.4Å; I9-N12 PolarHBondContact O-N 3.04Å; I9-A13 WeakPolarHBondContact O-CB 3.28Å; I9-A13 PolarHBondContact O-N 3.02Å
10	V	85	Confident	79.6	Confident	87 Å²	87	112.9 Å²	112.9	53%	0.527	57%	0.566	S	S	.	*	H	α-helix	trans	-63.9	-45.9	179	172.3	0	0	0	0	111.3	L6 F7 A13 G14	L6-V10 WeakPolarHBondContact O-CG2 3.5Å; L6-V10 PolarHBondContact O-N 3.38Å; F7-V10 PolarHBondContact O-N 3.42Å; V10-A13 PolarHBondContact O-N 3.03Å; V10-G14 PolarHBondContact O-N 2.9Å
11	M	81.6	Confident	79.1	Confident	100 Å²	100	114.3 Å²	114.3	49%	0.493	57%	0.565	S	S	.	*	H	α-helix	trans	-65.4	-40.3	178.1	-67.1	-58.5	-71.7	0	0	111.8	F7 A13 G14 E15	F7-M11 HydrophobicContact CD1-CG 4.1Å; F7-M11 HydrophobicContact CE1-CG 3.77Å; F7-M11 HydrophobicContact CE2-CG 4.4Å; F7-M11 HydrophobicContact CZ-CG 3.94Å; F7-M11 HydrophobicContact CZ-SD 4.16Å; F7-M11 WeakPolarHBondContact O-CB 3.3Å; F7-M11 VanDerWaalsContact O-CG 3.3Å; F7-M11 WeakPolarHBondContact O-CG 3.39Å; F7-M11 PolarHBondContact O-N 2.96Å; M11-A13 PolarHBondContact O-N 3.3Å; M11-G14 PolarHBondContact O-N 3.47Å; M11-E15 PolarHBondContact O-N 3.35Å
12	N	85.2	Confident	79.8	Confident	108 Å²	108	108.3 Å²	108.3	58%	0.578	54%	0.537	S	S	*	.	H	α-helix	trans	-63.9	-40.6	175.2	-72.8	-10.5	0	0	0	112.4	K8 I9 W16	K8-N12 VanDerWaalsContact O-CB 3.27Å; K8-N12 WeakPolarHBondContact O-CB 3.36Å; K8-N12 PolarHBondContact O-N 3.36Å; K8-N12 PolarHBondContact O-ND2 2.98Å; K8-N12 PolarHBondContact O-OD1 3.35Å; I9-N12 PolarHBondContact O-N 3.04Å; N12-W16 WeakPolarHBondContact O-CB 3.23Å; N12-W16 PolarHBondContact O-N 2.98Å
13	A	85.2	Confident	79.5	Confident	48 Å²	48	106.7 Å²	106.7	40%	0.397	53%	0.531	S	S	.	.	H	α-helix	trans	-66.4	-39.9	174.4	0	0	0	0	0	111.5	I9 V10 M11 W16 I17	I9-A13 WeakPolarHBondContact O-CB 3.28Å; I9-A13 PolarHBondContact O-N 3.02Å; V10-A13 PolarHBondContact O-N 3.03Å; M11-A13 PolarHBondContact O-N 3.3Å; A13-W16 WeakPolarHBondContact O-CB 3.34Å; A13-W16 PolarHBondContact O-N 3.25Å; A13-I17 WeakPolarHBondContact O-CG1 3.33Å; A13-I17 PolarHBondContact O-N 3.04Å
14	G	84.8	Confident	78.7	Confident	37 Å²	37	108.9 Å²	108.9	38%	0.381	53%	0.531	S	S	.	.	H	α-helix	trans	-59.4	-46.9	174.6	0	0	0	0	0	112.3	V10 M11 W16 I17 W18	V10-G14 PolarHBondContact O-N 2.9Å; M11-G14 PolarHBondContact O-N 3.47Å; G14-W16 VanDerWaalsContact C-N 3.34Å; G14-W16 PolarHBondContact O-N 3.38Å; G14-I17 PolarHBondContact O-N 2.92Å; G14-W18 WeakPolarHBondContact O-CB 3.49Å; G14-W18 PolarHBondContact O-N 2.93Å
15	E	81.5	Confident	77.8	Confident	102 Å²	102	109 Å²	109	48%	0.477	53%	0.528	S	S	.	.	H	α-helix	trans	-62	-40.4	174.6	-75.4	-161.2	-172.5	0	0	112.7	M11 W18 K19	M11-E15 PolarHBondContact O-N 3.35Å; E15-W18 PolarHBondContact O-N 3.45Å; E15-K19 WeakPolarHBondContact O-CB 3.34Å; E15-K19 VanDerWaalsContact O-CG 3.28Å; E15-K19 WeakPolarHBondContact O-CG 3.37Å; E15-K19 PolarHBondContact O-N 3.25Å; E15-K19 IonicContact OE2-NZ 2.82Å; E15-K19 PolarHBondContact OE2-NZ 3.5Å
16	W	81.4	Confident	76.9	Confident	146 Å²	146	108.3 Å²	108.3	55%	0.553	53%	0.525	S	S	*	.	H	α-helix	trans	-61.8	-44.4	177.5	179.9	88.8	0	0	0	111.8	N12 A13 G14 K20	N12-W16 WeakPolarHBondContact O-CB 3.23Å; N12-W16 PolarHBondContact O-N 2.98Å; A13-W16 WeakPolarHBondContact O-CB 3.34Å; A13-W16 PolarHBondContact O-N 3.25Å; G14-W16 VanDerWaalsContact C-N 3.34Å; G14-W16 PolarHBondContact O-N 3.38Å; W16-K20 HydrophobicContact CH2-CD 3.81Å; W16-K20 HydrophobicContact CZ2-CD 3.62Å; W16-K20 HydrophobicContact CZ3-CD 4.36Å; W16-K20 VanDerWaalsContact O-CB 3.23Å; W16-K20 WeakPolarHBondContact O-CB 3.49Å; W16-K20 PolarHBondContact O-N 3.35Å
17	I	83.6	Confident	75.9	Confident	86 Å²	86	108.2 Å²	108.2	44%	0.441	52%	0.524	S	S	.	.	H	α-helix	trans	-64.3	-46.2	176.3	-66.4	170.7	0	0	0	110.5	A13 G14 K19 K20 Y21	A13-I17 WeakPolarHBondContact O-CG1 3.33Å; A13-I17 PolarHBondContact O-N 3.04Å; G14-I17 PolarHBondContact O-N 2.92Å; I17-K19 PolarHBondContact O-N 2.86Å; I17-K20 PolarHBondContact O-N 2.91Å; I17-Y21 HydrophobicContact CG2-CD2 4.32Å; I17-Y21 PolarHBondContact O-N 3.02Å
18	W	77.1	Confident	75	Confident	146 Å²	146	105.4 Å²	105.4	55%	0.553	54%	0.535	S	S	*	.	I	π-helix	trans	-61.5	-44.6	-178.7	-166.1	81.7	0	0	0	111.9	G14 E15 L22 M23	G14-W18 WeakPolarHBondContact O-CB 3.49Å; G14-W18 PolarHBondContact O-N 2.93Å; E15-W18 PolarHBondContact O-N 3.45Å; W18-L22 VanDerWaalsContact CD1-CD1 3.41Å; W18-L22 HydrophobicContact CG-CB 4.42Å; W18-L22 HydrophobicContact CG-CD1 4.29Å; W18-L22 PolarHBondContact O-N 3.12Å; W18-L22 VanDerWaalsContact O-N 3.15Å; W18-M23 HydrophobicContact CD2-CG 4.39Å; W18-M23 HydrophobicContact CE3-CE 4.48Å; W18-M23 HydrophobicContact CE3-CG 3.97Å; W18-M23 HydrophobicContact CE3-SD 4.16Å; W18-M23 HydrophobicContact CH2-CG 4.05Å; W18-M23 HydrophobicContact CH2-SD 4.04Å; W18-M23 HydrophobicContact CZ2-CG 4.45Å; W18-M23 HydrophobicContact CZ3-CE 4.3Å; W18-M23 HydrophobicContact CZ3-CG 3.79Å; W18-M23 HydrophobicContact CZ3-SD 3.57Å; W18-M23 VanDerWaalsContact CZ3-SD 3.57Å; W18-M23 PolarHBondContact O-N 3.02Å; W18-M23 VanDerWaalsContact O-N 3.12Å
19	K	76.4	Confident	74.3	Confident	113 Å²	113	103.9 Å²	103.9	49%	0.491	53%	0.533	S	S	.	.	I	π-helix	trans	-65.9	-39.3	176.5	-72.9	165.6	176.6	161.3	0	112.6	E15 I17 M23	E15-K19 WeakPolarHBondContact O-CB 3.34Å; E15-K19 VanDerWaalsContact O-CG 3.28Å; E15-K19 WeakPolarHBondContact O-CG 3.37Å; E15-K19 PolarHBondContact O-N 3.25Å; E15-K19 IonicContact OE2-NZ 2.82Å; E15-K19 PolarHBondContact OE2-NZ 3.5Å; I17-K19 PolarHBondContact O-N 2.86Å; K19-M23 HydrophobicContact CB-CE 3.99Å; K19-M23 HydrophobicContact CG-CE 3.64Å
20	K	75.8	Confident	73.6	Confident	105 Å²	105	103 Å²	103	46%	0.457	53%	0.528	S	S	.	.	I	π-helix	trans	-78.5	-37.7	-174.4	-170.3	170.8	-178.3	-178.7	0	113.8	W16 I17	W16-K20 HydrophobicContact CH2-CD 3.81Å; W16-K20 HydrophobicContact CZ2-CD 3.62Å; W16-K20 HydrophobicContact CZ3-CD 4.36Å; W16-K20 VanDerWaalsContact O-CB 3.23Å; W16-K20 WeakPolarHBondContact O-CB 3.49Å; W16-K20 PolarHBondContact O-N 3.35Å; I17-K20 PolarHBondContact O-N 2.91Å
21	Y	70.2	Confident	72.9	Confident	144 Å²	144	99.6 Å²	99.6	57%	0.565	51%	0.509	S	S	*	.	I	π-helix	trans	-113.7	-46.6	-171	-66.3	-81.5	0	0	0	114	I17	I17-Y21 HydrophobicContact CG2-CD2 4.32Å; I17-Y21 PolarHBondContact O-N 3.02Å
22	L	69	Low	72.4	Confident	100 Å²	100	104 Å²	104	52%	0.524	53%	0.525	S	S	.	.	I	π-helix	trans	-78.7	-45.8	-171.2	-78.1	163.3	0	0	0	112.3	W18 K24 S25	W18-L22 VanDerWaalsContact CD1-CD1 3.41Å; W18-L22 HydrophobicContact CG-CB 4.42Å; W18-L22 HydrophobicContact CG-CD1 4.29Å; W18-L22 PolarHBondContact O-N 3.12Å; W18-L22 VanDerWaalsContact O-N 3.15Å; L22-K24 PolarHBondContact O-N 2.77Å; L22-S25 WeakPolarHBondContact O-CB 3.42Å; L22-S25 PolarHBondContact O-N 3.38Å; L22-S25 VanDerWaalsContact O-N 3.07Å; L22-S25 PolarHBondContact O-OG 3.27Å
23	M	64.1	Low	71.8	Confident	111 Å²	111	100.7 Å²	100.7	55%	0.547	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-26.1	176.9	-72.5	-153.8	-64.7	0	0	113.5	W18 K19 S25	W18-M23 HydrophobicContact CD2-CG 4.39Å; W18-M23 HydrophobicContact CE3-CE 4.48Å; W18-M23 HydrophobicContact CE3-CG 3.97Å; W18-M23 HydrophobicContact CE3-SD 4.16Å; W18-M23 HydrophobicContact CH2-CG 4.05Å; W18-M23 HydrophobicContact CH2-SD 4.04Å; W18-M23 HydrophobicContact CZ2-CG 4.45Å; W18-M23 HydrophobicContact CZ3-CE 4.3Å; W18-M23 HydrophobicContact CZ3-CG 3.79Å; W18-M23 HydrophobicContact CZ3-SD 3.57Å; W18-M23 VanDerWaalsContact CZ3-SD 3.57Å; W18-M23 PolarHBondContact O-N 3.02Å; W18-M23 VanDerWaalsContact O-N 3.12Å; K19-M23 HydrophobicContact CB-CE 3.99Å; K19-M23 HydrophobicContact CG-CE 3.64Å; M23-S25 PolarHBondContact O-N 3.42Å
24	K	63.5	Low	71	Confident	170 Å²	170	100.3 Å²	100.3	74%	0.739	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-9.3	176.8	-164.9	168.1	-178	175.3	0	112.9	L22 E26	L22-K24 PolarHBondContact O-N 2.77Å; K24-E26 PolarHBondContact O-N 3.12Å
25	S	60.8	Low	70.7	Confident	57 Å²	57	102 Å²	102	40%	0.399	50%	0.495	S	S	.	.			trans	-72.7	97.4	173.1	74.6	0	0	0	0	108.8	L22 M23 L27	L22-S25 WeakPolarHBondContact O-CB 3.42Å; L22-S25 PolarHBondContact O-N 3.38Å; L22-S25 VanDerWaalsContact O-N 3.07Å; L22-S25 PolarHBondContact O-OG 3.27Å; M23-S25 PolarHBondContact O-N 3.42Å; S25-L27 PolarHBondContact O-N 3.07Å
26	E	61.4	Low	70.4	Confident	110 Å²	110	104.9 Å²	104.9	51%	0.514	51%	0.506	S	S	.	.			trans	-70.5	40.9	174.8	-61.2	-174.2	157.9	0	0	112.4	K24 G28 L29 K75	K24-E26 PolarHBondContact O-N 3.12Å; E26-G28 PolarHBondContact O-N 3.15Å; E26-L29 HydrophobicContact CB-CD1 4.34Å; E26-K75 HydrophobicContact CB-CD 4.02Å; E26-K75 WeakPolarHBondContact OE2-CD 3.46Å; E26-K75 IonicContact OE2-NZ 3.94Å; E26-K75 PolarHBondContact OE2-NZ 3.16Å
27	L	59.3	Low	70.2	Confident	108 Å²	108	107.4 Å²	107.4	57%	0.565	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	112.7	-179.3	-65.4	173.9	0	0	0	108.5	S25 F74	S25-L27 PolarHBondContact O-N 3.07Å; L27-F74 HydrophobicContact CD2-CD1 4.46Å
28	G	63.3	Low	69.9	Low	81 Å²	81	109.3 Å²	109.3	84%	0.835	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.5	-9.5	176.1	0	0	0	0	0	115.6	E26	E26-G28 PolarHBondContact O-N 3.15Å
29	L	68.3	Low	69.7	Low	110 Å²	110	104.2 Å²	104.2	58%	0.576	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-75	138.1	171.1	-73.7	85.3	0	0	0	110.1	E26	E26-L29 HydrophobicContact CB-CD1 4.34Å
30	L	68.3	Low	69.7	Low	93 Å²	93	100.7 Å²	100.7	49%	0.487	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-54	149.4	169.8	-75.9	91.9	0	0	0	109.8	K32 Y34 Y42	L30-K32 PolarHBondContact O-N 2.94Å; L30-Y34 HydrophobicContact CB-CD1 4.42Å; L30-Y34 HydrophobicContact CD2-CD1 3.35Å; L30-Y34 HydrophobicContact CD2-CE1 3.43Å; L30-Y34 VanDerWaalsContact CD2-CE1 3.43Å; L30-Y34 HydrophobicContact CD2-CG 4.16Å; L30-Y42 HydrophobicContact CD2-CD2 3.93Å; L30-Y42 HydrophobicContact CD2-CG 4.02Å
31	P	69.7	Low	69.6	Low	17 Å²	17	100.8 Å²	100.8	11%	0.11	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-53.4	136.7	174.3	19.6	-28.9	0	0	0	109.7	E33 Y34 Y42	P31-E33 WeakPolarHBondContact CB-OE2 3.5Å; P31-E33 PolarHBondContact O-N 2.99Å; P31-Y34 WeakPolarHBondContact O-CB 3.36Å; P31-Y34 PolarHBondContact O-N 2.74Å; P31-Y42 HydrophobicContact CG-CE2 3.72Å
32	K	71.7	Confident	69.4	Low	192 Å²	192	98.1 Å²	98.1	84%	0.835	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.2	-176.3	-178.2	178.9	179.2	-179.6	0	112	L30 Y34	L30-K32 PolarHBondContact O-N 2.94Å; K32-Y34 VanDerWaalsContact C-N 3.33Å
33	E	72.4	Confident	69.5	Low	39 Å²	39	93.7 Å²	93.7	18%	0.182	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-17.9	178.4	-50.1	75.7	-112.3	0	0	112.7	P31 N35 R113	P31-E33 WeakPolarHBondContact CB-OE2 3.5Å; P31-E33 PolarHBondContact O-N 2.99Å; E33-N35 PolarHBondContact O-N 3.47Å; E33-R113 VanDerWaalsContact CD-NH1 3.33Å; E33-R113 IonicContact OE1-CZ 2.92Å; E33-R113 IonicContact OE1-NE 3.65Å; E33-R113 IonicContact OE1-NH1 3.34Å; E33-R113 PolarHBondContact OE1-NH1 3.26Å; E33-R113 IonicContact OE1-NH2 2.6Å; E33-R113 PolarHBondContact OE1-NH2 3.3Å; E33-R113 IonicContact OE2-CZ 3.94Å; E33-R113 IonicContact OE2-NH1 2.99Å
34	Y	69.4	Low	69.7	Low	40 Å²	40	91.2 Å²	91.2	16%	0.157	48%	0.477	C	S	.	.			trans	-79.2	110.3	-178.9	172.7	-98.1	0	0	0	111.2	L30 P31 K32 K36 H39 G40 Y42 Y48	L30-Y34 HydrophobicContact CB-CD1 4.42Å; L30-Y34 HydrophobicContact CD2-CD1 3.35Å; L30-Y34 HydrophobicContact CD2-CE1 3.43Å; L30-Y34 VanDerWaalsContact CD2-CE1 3.43Å; L30-Y34 HydrophobicContact CD2-CG 4.16Å; P31-Y34 WeakPolarHBondContact O-CB 3.36Å; P31-Y34 PolarHBondContact O-N 2.74Å; K32-Y34 VanDerWaalsContact C-N 3.33Å; Y34-K36 HydrophobicContact CE1-CB 4Å; Y34-H39 HydrophobicContact CD2-CB 3.91Å; Y34-H39 HydrophobicContact CE2-CB 3.86Å; Y34-G40 PolarHBondContact OH-O 2.84Å; Y34-Y42 AromaticContact CD2-CD2 3.88Å; Y34-Y42 HydrophobicContact CD2-CD2 3.88Å; Y34-Y42 HydrophobicContact CE2-CD2 4.07Å; Y34-Y42 HydrophobicContact CG-CD2 4.08Å; Y34-Y42 PolarHBondContact OH-N 2.98Å; Y34-Y48 HydrophobicContact CD2-CD1 4.35Å; Y34-Y48 HydrophobicContact CD2-CD2 4.03Å; Y34-Y48 HydrophobicContact CD2-CE1 4.18Å; Y34-Y48 AromaticContact CD2-CE2 3.84Å; Y34-Y48 HydrophobicContact CD2-CE2 3.84Å; Y34-Y48 HydrophobicContact CD2-CG 4.26Å; Y34-Y48 AromaticContact CD2-CZ 3.89Å; Y34-Y48 HydrophobicContact CE2-CE2 4.46Å
35	N	78	Confident	69.7	Low	71 Å²	71	85.3 Å²	85.3	38%	0.38	45%	0.45	S	S	.	.			trans	-101.9	112.5	165.9	-171.8	-19.8	0	0	0	110.4	E33 K37 I38 H39	E33-N35 PolarHBondContact O-N 3.47Å; N35-K37 PolarHBondContact O-N 2.91Å; N35-K37 VanDerWaalsContact O-N 3.12Å; N35-K37 WeakPolarHBondContact OD1-CB 3.45Å; N35-K37 PolarHBondContact OD1-N 3.03Å; N35-I38 HydrophobicContact CB-CB 4.3Å; N35-I38 HydrophobicContact CB-CD1 4.1Å; N35-I38 HydrophobicContact CB-CG1 4.21Å; N35-I38 WeakPolarHBondContact ND2-CD1 3.46Å; N35-I38 PolarHBondContact O-N 2.6Å; N35-H39 PolarHBondContact N-CD2 3.36Å; N35-H39 WeakPolarHBondContact O-CB 3.45Å; N35-H39 PolarHBondContact O-N 2.84Å
36	K	75.5	Confident	70	Confident	164 Å²	164	87.7 Å²	87.7	71%	0.713	45%	0.45	S	S	*	.	H	α-helix	trans	-52.9	-33.1	178.1	-174.9	178.7	178.5	-177.9	0	113	Y34 G40	Y34-K36 HydrophobicContact CE1-CB 4Å; K36-G40 PolarHBondContact O-N 3.25Å
37	K	75.5	Confident	70.3	Confident	199 Å²	199	84.8 Å²	84.8	87%	0.865	44%	0.435	S	S	*	.	H	α-helix	trans	-70.3	-33.5	-180	-65	-174.9	176.3	-176.5	0	112.9	N35	N35-K37 PolarHBondContact O-N 2.91Å; N35-K37 VanDerWaalsContact O-N 3.12Å; N35-K37 WeakPolarHBondContact OD1-CB 3.45Å; N35-K37 PolarHBondContact OD1-N 3.03Å
38	I	78.4	Confident	70.8	Confident	126 Å²	126	80.3 Å²	80.3	65%	0.646	41%	0.411	S	S	*	.	H	α-helix	trans	-94.4	-34.7	-174.3	-57.8	174.9	0	0	0	110.8	N35	N35-I38 HydrophobicContact CB-CB 4.3Å; N35-I38 HydrophobicContact CB-CD1 4.1Å; N35-I38 HydrophobicContact CB-CG1 4.21Å; N35-I38 WeakPolarHBondContact ND2-CD1 3.46Å; N35-I38 PolarHBondContact O-N 2.6Å
39	H	72.9	Confident	71.2	Confident	38 Å²	38	77.6 Å²	77.6	18%	0.176	38%	0.383	C	S	.	.	H	α-helix	trans	-103.7	-4.3	-166.9	-68.6	-40.5	0	0	0	115.6	Y34 N35 Y48	Y34-H39 HydrophobicContact CD2-CB 3.91Å; Y34-H39 HydrophobicContact CE2-CB 3.86Å; N35-H39 PolarHBondContact N-CD2 3.36Å; N35-H39 WeakPolarHBondContact O-CB 3.45Å; N35-H39 PolarHBondContact O-N 2.84Å; H39-Y48 HydrophobicContact CB-CD1 3.76Å; H39-Y48 HydrophobicContact CB-CE1 3.49Å; H39-Y48 VanDerWaalsContact CB-CE1 3.49Å; H39-Y48 AromaticContact CD2-CD1 3.45Å; H39-Y48 VanDerWaalsContact CD2-CD1 3.45Å; H39-Y48 WeakPolarHBondContact CD2-CD1 3.37Å; H39-Y48 AromaticContact CE1-CD1 3.92Å; H39-Y48 AromaticContact CG-CD1 3.32Å; H39-Y48 AromaticContact CG-CE1 3.61Å; H39-Y48 AromaticContact ND1-CD1 3.63Å; H39-Y48 AromaticContact NE2-CD1 3.84Å
40	G	76.1	Confident	71.1	Confident	40 Å²	40	78.2 Å²	78.2	41%	0.412	38%	0.381	S	S	.	.			trans	66.8	-145	-175	0	0	0	0	0	111.4	Y34 K36	Y34-G40 PolarHBondContact OH-O 2.84Å; K36-G40 PolarHBondContact O-N 3.25Å
41	V	73.1	Confident	71	Confident	107 Å²	107	79.2 Å²	79.2	65%	0.648	38%	0.381	S	S	*	.	S	Bend	trans	-64.2	143.8	178.4	-179.9	0	0	0	0	110.9	C43 Y48	V41-C43 PolarHBondContact O-N 3.28Å; V41-Y48 PolarHBondContact O-OH 2.76Å
42	Y	67.7	Low	70.7	Confident	87 Å²	87	79.2 Å²	79.2	34%	0.341	38%	0.38	S	S	.	.			trans	-67.9	118.6	177.5	180	-107.9	0	0	0	111.5	L30 P31 Y34 P44 Y48	L30-Y42 HydrophobicContact CD2-CD2 3.93Å; L30-Y42 HydrophobicContact CD2-CG 4.02Å; P31-Y42 HydrophobicContact CG-CE2 3.72Å; Y34-Y42 AromaticContact CD2-CD2 3.88Å; Y34-Y42 HydrophobicContact CD2-CD2 3.88Å; Y34-Y42 HydrophobicContact CE2-CD2 4.07Å; Y34-Y42 HydrophobicContact CG-CD2 4.08Å; Y34-Y42 PolarHBondContact OH-N 2.98Å; Y42-P44 HydrophobicContact CE1-CB 3.93Å; Y42-Y48 HydrophobicContact CD2-CD2 4.4Å; Y42-Y48 AromaticContact CD2-CE2 3.7Å; Y42-Y48 HydrophobicContact CD2-CE2 3.7Å; Y42-Y48 HydrophobicContact CE2-CD2 4.21Å; Y42-Y48 AromaticContact CE2-CE2 3.8Å; Y42-Y48 HydrophobicContact CE2-CE2 3.8Å
43	C	69.6	Low	70.8	Confident	8 Å²	8	73.5 Å²	73.5	5%	0.054	36%	0.358	C	S	.	.			trans	-106.9	105.3	176.4	-61.8	0	0	0	0	108.3	V41 W45 R46 Y48	V41-C43 PolarHBondContact O-N 3.28Å; C43-W45 HydrophobicContact CB-CD2 4.01Å; C43-W45 HydrophobicContact CB-CE3 4.27Å; C43-W45 HydrophobicContact CB-CH2 3.85Å; C43-W45 HydrophobicContact CB-CZ2 3.51Å; C43-W45 HydrophobicContact CB-CZ3 4.22Å; C43-W45 PolarHBondContact O-N 2.7Å; C43-W45 VanDerWaalsContact O-N 3.13Å; C43-R46 HydrophobicContact CB-CB 3.96Å; C43-R46 PolarHBondContact O-N 3.02Å; C43-Y48 WeakPolarHBondContact CA-OH 3.27Å; C43-Y48 VanDerWaalsContact CB-OH 3.27Å; C43-Y48 WeakPolarHBondContact CB-OH 3.5Å; C43-Y48 PolarHBondContact N-OH 2.98Å; C43-Y48 WeakPolarHBondContact O-CE2 3.4Å
44	P	68.7	Low	70.8	Confident	58 Å²	58	74.1 Å²	74.1	38%	0.377	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.3	-173.9	21.5	-32.7	0	0	0	114.5	Y42 R83	Y42-P44 HydrophobicContact CE1-CB 3.93Å; P44-R83 WeakPolarHBondContact O-CG 3.39Å
45	W	63.9	Low	71.3	Confident	47 Å²	47	77.3 Å²	77.3	18%	0.178	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-19.8	175.5	60.6	96.5	0	0	0	113.3	C43 R83 S90 T93 C94	C43-W45 HydrophobicContact CB-CD2 4.01Å; C43-W45 HydrophobicContact CB-CE3 4.27Å; C43-W45 HydrophobicContact CB-CH2 3.85Å; C43-W45 HydrophobicContact CB-CZ2 3.51Å; C43-W45 HydrophobicContact CB-CZ3 4.22Å; C43-W45 PolarHBondContact O-N 2.7Å; C43-W45 VanDerWaalsContact O-N 3.13Å; W45-R83 WeakPolarHBondContact O-CG 3.27Å; W45-S90 WeakPolarHBondContact CB-OG 3.42Å; W45-T93 WeakPolarHBondContact CH2-OG1 3.45Å; W45-C94 HydrophobicContact CH2-CB 4.38Å; W45-C94 HydrophobicContact CZ2-CB 3.43Å; W45-C94 VanDerWaalsContact CZ2-CB 3.43Å; W45-C94 VanDerWaalsContact CZ2-SG 3.56Å
46	R	67.1	Low	71.3	Confident	106 Å²	106	82.8 Å²	82.8	40%	0.4	40%	0.398	S	S	.	.	S	Bend	trans	-81.5	132.8	-175.6	-169.2	167.9	-177	174.5	4.1	110.5	C43 Y48 R83	C43-R46 HydrophobicContact CB-CB 3.96Å; C43-R46 PolarHBondContact O-N 3.02Å; R46-Y48 HydrophobicContact CB-CE1 4.22Å; R46-Y48 HydrophobicContact CB-CE2 4.14Å; R46-Y48 HydrophobicContact CG-CD1 4.26Å; R46-Y48 HydrophobicContact CG-CE1 4.01Å; R46-Y48 PolarHBondContact O-N 3.11Å; R46-R83 PolarHBondContact O-NH1 2.77Å
47	Y	68.1	Low	71.7	Confident	50 Å²	50	80.2 Å²	80.2	20%	0.196	39%	0.392	C	S	.	.			trans	-81.9	112.9	166	-168.2	-97.4	0	0	0	108.8	G49 K50 G111 R113	Y47-G49 WeakPolarHBondContact CD1-O 3.45Å; Y47-G49 VanDerWaalsContact CE1-N 3.32Å; Y47-G49 WeakPolarHBondContact CE1-O 3.49Å; Y47-K50 WeakPolarHBondContact CE1-O 3.45Å; Y47-G111 WeakPolarHBondContact CD1-O 3.45Å; Y47-R113 HydrophobicContact CE1-CB 4.28Å; Y47-R113 HydrophobicContact CE2-CB 4.22Å; Y47-R113 WeakPolarHBondContact OH-CB 3.11Å; Y47-R113 WeakPolarHBondContact OH-CD 3.49Å; Y47-R113 WeakPolarHBondContact OH-CG 3.39Å
48	Y	68.9	Low	71.9	Confident	14 Å²	14	71.4 Å²	71.4	6%	0.055	36%	0.355	C	S	.	.			trans	-90.3	-4.6	-177.7	-69	-69	0	0	0	114.2	Y34 H39 V41 Y42 C43 R46	Y34-Y48 HydrophobicContact CD2-CD1 4.35Å; Y34-Y48 HydrophobicContact CD2-CD2 4.03Å; Y34-Y48 HydrophobicContact CD2-CE1 4.18Å; Y34-Y48 AromaticContact CD2-CE2 3.84Å; Y34-Y48 HydrophobicContact CD2-CE2 3.84Å; Y34-Y48 HydrophobicContact CD2-CG 4.26Å; Y34-Y48 AromaticContact CD2-CZ 3.89Å; Y34-Y48 HydrophobicContact CE2-CE2 4.46Å; H39-Y48 HydrophobicContact CB-CD1 3.76Å; H39-Y48 HydrophobicContact CB-CE1 3.49Å; H39-Y48 VanDerWaalsContact CB-CE1 3.49Å; H39-Y48 AromaticContact CD2-CD1 3.45Å; H39-Y48 VanDerWaalsContact CD2-CD1 3.45Å; H39-Y48 WeakPolarHBondContact CD2-CD1 3.37Å; H39-Y48 AromaticContact CE1-CD1 3.92Å; H39-Y48 AromaticContact CG-CD1 3.32Å; H39-Y48 AromaticContact CG-CE1 3.61Å; H39-Y48 AromaticContact ND1-CD1 3.63Å; H39-Y48 AromaticContact NE2-CD1 3.84Å; V41-Y48 PolarHBondContact O-OH 2.76Å; Y42-Y48 HydrophobicContact CD2-CD2 4.4Å; Y42-Y48 AromaticContact CD2-CE2 3.7Å; Y42-Y48 HydrophobicContact CD2-CE2 3.7Å; Y42-Y48 HydrophobicContact CE2-CD2 4.21Å; Y42-Y48 AromaticContact CE2-CE2 3.8Å; Y42-Y48 HydrophobicContact CE2-CE2 3.8Å; C43-Y48 WeakPolarHBondContact CA-OH 3.27Å; C43-Y48 VanDerWaalsContact CB-OH 3.27Å; C43-Y48 WeakPolarHBondContact CB-OH 3.5Å; C43-Y48 PolarHBondContact N-OH 2.98Å; C43-Y48 WeakPolarHBondContact O-CE2 3.4Å; R46-Y48 HydrophobicContact CB-CE1 4.22Å; R46-Y48 HydrophobicContact CB-CE2 4.14Å; R46-Y48 HydrophobicContact CG-CD1 4.26Å; R46-Y48 HydrophobicContact CG-CE1 4.01Å; R46-Y48 PolarHBondContact O-N 3.11Å
49	G	71.2	Confident	72.1	Confident	24 Å²	24	73.8 Å²	73.8	25%	0.247	36%	0.361	C	S	.	.	S	Bend	trans	-90.1	-173.2	176.2	0	0	0	0	0	113.3	Y47	Y47-G49 WeakPolarHBondContact CD1-O 3.45Å; Y47-G49 VanDerWaalsContact CE1-N 3.32Å; Y47-G49 WeakPolarHBondContact CE1-O 3.49Å
50	K	67.3	Low	72.6	Confident	123 Å²	123	79.3 Å²	79.3	54%	0.535	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-63.1	131.3	174.6	-172	176	176.7	179.6	0	110.7	Y47 V116	Y47-K50 WeakPolarHBondContact CE1-O 3.45Å; K50-V116 PolarHBondContact NZ-OXT 3.03Å
51	K	66	Low	72.8	Confident	113 Å²	113	81 Å²	81	49%	0.491	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-77.6	121.7	176.3	-175.2	178.5	-177.2	171.7	0	109.5	G107 T109	K51-G107 PolarHBondContact NZ-O 3.11Å; K51-T109 WeakPolarHBondContact CE-OG1 3.28Å; K51-T109 PolarHBondContact NZ-OG1 2.87Å
52	D	63.4	Low	73.3	Confident	18 Å²	18	78.8 Å²	78.8	10%	0.096	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-88.1	168.6	173.8	-67.9	-12.7	0	0	0	112.6	N54 R70 F112 H114	D52-N54 PolarHBondContact O-N 3.21Å; D52-R70 IonicContact OD2-CZ 3.64Å; D52-R70 IonicContact OD2-NH2 3.93Å; D52-F112 WeakPolarHBondContact CB-O 3.15Å; D52-H114 VanDerWaalsContact CG-CG 3.41Å; D52-H114 WeakPolarHBondContact OD1-CA 3.2Å; D52-H114 WeakPolarHBondContact OD1-CB 2.93Å; D52-H114 IonicContact OD1-CG 3.55Å; D52-H114 PolarHBondContact OD1-N 3.2Å; D52-H114 IonicContact OD1-ND1 2.89Å; D52-H114 WeakPolarHBondContact OD2-CB 3.22Å; D52-H114 IonicContact OD2-CD2 3.86Å; D52-H114 PolarHBondContact OD2-CD2 3.32Å; D52-H114 IonicContact OD2-CE1 3.67Å; D52-H114 IonicContact OD2-CG 3.51Å; D52-H114 PolarHBondContact OD2-N 3.48Å; D52-H114 IonicContact OD2-ND1 3.81Å; D52-H114 PolarHBondContact OD2-ND1 2.85Å; D52-H114 IonicContact OD2-NE2 2.76Å; D52-H114 PolarHBondContact OD2-NE2 2.9Å
53	I	73.7	Confident	74.1	Confident	71 Å²	71	77.3 Å²	77.3	36%	0.364	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-55.9	130.2	162.7	53.6	178.4	0	0	0	110.1	V58 W66	I53-V58 HydrophobicContact CD1-CB 4.29Å; I53-V58 HydrophobicContact CD1-CG1 4.26Å; I53-V58 HydrophobicContact CD1-CG2 3.73Å; I53-V58 HydrophobicContact CG1-CG2 3.91Å; I53-W66 VanDerWaalsContact CG1-CD1 3.44Å; I53-W66 PolarHBondContact O-NE1 2.88Å
54	N	72.8	Confident	74.6	Confident	52 Å²	52	81.2 Å²	81.2	28%	0.278	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-61.8	150.7	175.3	-65.5	-4.9	0	0	0	108.9	D52 F56 D57 V58	D52-N54 PolarHBondContact O-N 3.21Å; N54-F56 PolarHBondContact O-N 3.26Å; N54-D57 PolarHBondContact O-N 2.76Å; N54-V58 WeakPolarHBondContact O-CG2 2.98Å; N54-V58 PolarHBondContact O-N 3.01Å
55	F	79	Confident	75.3	Confident	108 Å²	108	80.4 Å²	80.4	47%	0.474	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-50.8	-36.3	-179	178	-112.8	0	0	0	113.5	L63 W66	F55-L63 HydrophobicContact CE2-CD1 4.35Å; F55-W66 HydrophobicContact CB-CH2 3.89Å; F55-W66 HydrophobicContact CB-CZ2 3.72Å; F55-W66 HydrophobicContact CD2-CE3 4.31Å; F55-W66 AromaticContact CD2-CH2 3.38Å; F55-W66 HydrophobicContact CD2-CH2 3.38Å; F55-W66 AromaticContact CD2-CZ2 3.87Å; F55-W66 HydrophobicContact CD2-CZ2 3.87Å; F55-W66 AromaticContact CD2-CZ3 3.61Å; F55-W66 HydrophobicContact CD2-CZ3 3.61Å; F55-W66 HydrophobicContact CE2-CH2 4.31Å; F55-W66 HydrophobicContact CE2-CZ3 4.15Å; F55-W66 HydrophobicContact CG-CH2 4.05Å; F55-W66 HydrophobicContact CG-CZ2 4.3Å
56	F	78.8	Confident	76.1	Confident	185 Å²	185	79.3 Å²	79.3	81%	0.811	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-78.8	-14.4	-179.6	-61.5	-71.1	0	0	0	114.7	N54	N54-F56 PolarHBondContact O-N 3.26Å
57	D	82.4	Confident	76.8	Confident	111 Å²	111	81 Å²	81	59%	0.594	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-96.7	-1.2	178.1	-59.6	-33.6	0	0	0	112	N54	N54-D57 PolarHBondContact O-N 2.76Å
58	V	79.9	Confident	77.4	Confident	14 Å²	14	81.6 Å²	81.6	9%	0.085	43%	0.432	C	S	.	.	S	Bend	trans	-78.5	124.7	-179.7	-173	0	0	0	0	109.7	I53 N54 L60 D62 L63 W66	I53-V58 HydrophobicContact CD1-CB 4.29Å; I53-V58 HydrophobicContact CD1-CG1 4.26Å; I53-V58 HydrophobicContact CD1-CG2 3.73Å; I53-V58 HydrophobicContact CG1-CG2 3.91Å; N54-V58 WeakPolarHBondContact O-CG2 2.98Å; N54-V58 PolarHBondContact O-N 3.01Å; V58-L60 PolarHBondContact O-N 3.5Å; V58-D62 HydrophobicContact CG1-CB 4.45Å; V58-L63 HydrophobicContact CB-CD1 4.17Å; V58-L63 HydrophobicContact CG1-CB 4.4Å; V58-L63 HydrophobicContact CG1-CD1 3.97Å; V58-L63 HydrophobicContact CG1-CG 4.42Å; V58-W66 HydrophobicContact CB-CG 4.44Å; V58-W66 HydrophobicContact CG1-CB 3.8Å; V58-W66 HydrophobicContact CG1-CG 3.97Å; V58-W66 HydrophobicContact CG2-CB 4.27Å; V58-W66 HydrophobicContact CG2-CD2 3.76Å; V58-W66 HydrophobicContact CG2-CG 3.53Å; V58-W66 HydrophobicContact CG2-CZ2 4.45Å
59	K	82.5	Confident	77.6	Confident	176 Å²	176	85.3 Å²	85.3	77%	0.765	45%	0.446	S	S	*	.			trans	-61.5	131.8	167.8	-64.3	178.9	179.5	178.3	0	108.6	G61 D62 L63	K59-G61 PolarHBondContact O-N 3.13Å; K59-D62 PolarHBondContact O-N 3.45Å; K59-L63 PolarHBondContact O-N 3Å
60	L	83.6	Confident	77.6	Confident	154 Å²	154	85.2 Å²	85.2	81%	0.806	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-52.3	-30.5	-176.5	-70.4	166	0	0	0	113.8	V58 L63	V58-L60 PolarHBondContact O-N 3.5Å; L60-L63 HydrophobicContact CD2-CD1 4.44Å; L60-L63 WeakPolarHBondContact O-CB 3.5Å; L60-L63 PolarHBondContact O-N 3.48Å
61	G	81.6	Confident	77.8	Confident	74 Å²	74	82.6 Å²	82.6	76%	0.763	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-70.7	-26.4	174.6	0	0	0	0	0	115.4	K59	K59-G61 PolarHBondContact O-N 3.13Å
62	D	82.7	Confident	78.2	Confident	61 Å²	61	83.2 Å²	83.2	33%	0.326	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-96.1	1	177.5	-169.5	30.1	0	0	0	111.8	V58 K59 A65 W66 R69	V58-D62 HydrophobicContact CG1-CB 4.45Å; K59-D62 PolarHBondContact O-N 3.45Å; D62-A65 PolarHBondContact O-N 2.66Å; D62-A65 WeakPolarHBondContact OD1-CB 3.37Å; D62-W66 VanDerWaalsContact O-CB 3.22Å; D62-W66 WeakPolarHBondContact O-CB 3.19Å; D62-W66 PolarHBondContact O-N 3.27Å; D62-R69 IonicContact OD1-NH1 3.5Å
63	L	84.2	Confident	78.5	Confident	56 Å²	56	85.1 Å²	85.1	29%	0.293	45%	0.447	S	S	.	.	H	α-helix	trans	-55.7	-43.6	176.6	-140.6	105.2	0	0	0	114.5	F55 V58 K59 L60 W66 Y67	F55-L63 HydrophobicContact CE2-CD1 4.35Å; V58-L63 HydrophobicContact CB-CD1 4.17Å; V58-L63 HydrophobicContact CG1-CB 4.4Å; V58-L63 HydrophobicContact CG1-CD1 3.97Å; V58-L63 HydrophobicContact CG1-CG 4.42Å; K59-L63 PolarHBondContact O-N 3Å; L60-L63 HydrophobicContact CD2-CD1 4.44Å; L60-L63 WeakPolarHBondContact O-CB 3.5Å; L60-L63 PolarHBondContact O-N 3.48Å; L63-W66 WeakPolarHBondContact O-CB 3.38Å; L63-W66 PolarHBondContact O-N 3.16Å; L63-Y67 WeakPolarHBondContact O-CB 3.44Å; L63-Y67 PolarHBondContact O-N 3.45Å
64	P	81.6	Confident	78.3	Confident	91 Å²	91	88.8 Å²	88.8	59%	0.591	46%	0.461	S	S	*	.	H	α-helix	trans	-66.3	-40.7	178.4	23	-32.1	0	0	0	112.3	W66 Y67 A68	P64-W66 VanDerWaalsContact C-N 3.34Å; P64-Y67 PolarHBondContact O-N 3.06Å; P64-A68 WeakPolarHBondContact O-CB 3.47Å; P64-A68 PolarHBondContact O-N 3.22Å
65	A	83	Confident	78.1	Confident	40 Å²	40	88.8 Å²	88.8	33%	0.331	46%	0.459	S	S	.	.	H	α-helix	trans	-69.4	-34.7	174.9	0	0	0	0	0	111.3	D62 Y67 A68 R69	D62-A65 PolarHBondContact O-N 2.66Å; D62-A65 WeakPolarHBondContact OD1-CB 3.37Å; A65-Y67 VanDerWaalsContact C-N 3.34Å; A65-Y67 PolarHBondContact O-N 3.5Å; A65-A68 PolarHBondContact O-N 3.26Å; A65-R69 WeakPolarHBondContact O-CG 3.33Å; A65-R69 PolarHBondContact O-N 3.44Å; A65-R69 PolarHBondContact O-NH1 3.43Å
66	W	80.8	Confident	77.6	Confident	24 Å²	24	84.7 Å²	84.7	9%	0.091	44%	0.444	C	S	.	.	H	α-helix	trans	-64	-38.2	172.5	176.5	89.6	0	0	0	112.3	I53 F55 V58 D62 L63 P64 R70 H114	I53-W66 VanDerWaalsContact CG1-CD1 3.44Å; I53-W66 PolarHBondContact O-NE1 2.88Å; F55-W66 HydrophobicContact CB-CH2 3.89Å; F55-W66 HydrophobicContact CB-CZ2 3.72Å; F55-W66 HydrophobicContact CD2-CE3 4.31Å; F55-W66 AromaticContact CD2-CH2 3.38Å; F55-W66 HydrophobicContact CD2-CH2 3.38Å; F55-W66 AromaticContact CD2-CZ2 3.87Å; F55-W66 HydrophobicContact CD2-CZ2 3.87Å; F55-W66 AromaticContact CD2-CZ3 3.61Å; F55-W66 HydrophobicContact CD2-CZ3 3.61Å; F55-W66 HydrophobicContact CE2-CH2 4.31Å; F55-W66 HydrophobicContact CE2-CZ3 4.15Å; F55-W66 HydrophobicContact CG-CH2 4.05Å; F55-W66 HydrophobicContact CG-CZ2 4.3Å; V58-W66 HydrophobicContact CB-CG 4.44Å; V58-W66 HydrophobicContact CG1-CB 3.8Å; V58-W66 HydrophobicContact CG1-CG 3.97Å; V58-W66 HydrophobicContact CG2-CB 4.27Å; V58-W66 HydrophobicContact CG2-CD2 3.76Å; V58-W66 HydrophobicContact CG2-CG 3.53Å; V58-W66 HydrophobicContact CG2-CZ2 4.45Å; D62-W66 VanDerWaalsContact O-CB 3.22Å; D62-W66 WeakPolarHBondContact O-CB 3.19Å; D62-W66 PolarHBondContact O-N 3.27Å; L63-W66 WeakPolarHBondContact O-CB 3.38Å; L63-W66 PolarHBondContact O-N 3.16Å; P64-W66 VanDerWaalsContact C-N 3.34Å; W66-R70 VanDerWaalsContact CD1-NH1 3.26Å; W66-R70 VanDerWaalsContact CG-NH1 3.33Å; W66-R70 VanDerWaalsContact NE1-NH2 3.17Å; W66-R70 PolarHBondContact O-NH1 3.3Å; W66-H114 PolarHBondContact O-CE1 3.3Å; W66-H114 PolarHBondContact O-NE2 3.05Å
67	Y	81.6	Confident	77.4	Confident	142 Å²	142	81.9 Å²	81.9	56%	0.557	43%	0.432	S	S	*	.	H	α-helix	trans	-74.9	-35.8	177.3	-174.7	-106.8	0	0	0	112.1	L63 P64 A65 R69 R70 K72	L63-Y67 WeakPolarHBondContact O-CB 3.44Å; L63-Y67 PolarHBondContact O-N 3.45Å; P64-Y67 PolarHBondContact O-N 3.06Å; A65-Y67 VanDerWaalsContact C-N 3.34Å; A65-Y67 PolarHBondContact O-N 3.5Å; Y67-R69 PolarHBondContact O-N 3.34Å; Y67-R70 PolarHBondContact O-N 3.3Å; Y67-K72 HydrophobicContact CE1-CD 4.35Å; Y67-K72 PolarHBondContact O-NZ 2.81Å
68	A	81.1	Confident	76.8	Confident	63 Å²	63	84.7 Å²	84.7	52%	0.521	43%	0.434	S	S	.	.	H	α-helix	trans	-61.4	-46.6	-177.9	0	0	0	0	0	112.8	P64 A65 R70 K72	P64-A68 WeakPolarHBondContact O-CB 3.47Å; P64-A68 PolarHBondContact O-N 3.22Å; A65-A68 PolarHBondContact O-N 3.26Å; A68-R70 PolarHBondContact O-N 3.45Å; A68-R70 VanDerWaalsContact O-N 3.16Å; A68-K72 PolarHBondContact O-NZ 3.5Å
69	R	72.7	Confident	76.4	Confident	91 Å²	91	85.7 Å²	85.7	34%	0.343	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-7.3	-172.5	-61.7	179.8	-50.9	-99.8	3.3	113.9	D62 A65 Y67 H114	D62-R69 IonicContact OD1-NH1 3.5Å; A65-R69 WeakPolarHBondContact O-CG 3.33Å; A65-R69 PolarHBondContact O-N 3.44Å; A65-R69 PolarHBondContact O-NH1 3.43Å; Y67-R69 PolarHBondContact O-N 3.34Å; R69-H114 HydrophobicContact CB-CB 3.86Å; R69-H114 WeakPolarHBondContact CB-CD2 3.43Å; R69-H114 WeakPolarHBondContact CB-CE1 3.4Å; R69-H114 WeakPolarHBondContact CB-ND1 3.49Å; R69-H114 WeakPolarHBondContact CB-NE2 3.37Å; R69-H114 PolarHBondContact NE-CE1 3.48Å; R69-H114 PolarHBondContact NE-ND1 3.33Å; R69-H114 PolarHBondContact NH2-CE1 3.08Å; R69-H114 PolarHBondContact NH2-ND1 3.42Å; R69-H114 PolarHBondContact O-CD2 2.75Å
70	R	71.8	Confident	75.7	Confident	22 Å²	22	78.4 Å²	78.4	8%	0.083	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-79.9	138.8	179.4	-79	179.9	169.4	55.4	18.8	113.5	D52 W66 Y67 A68 K72 F112 H114	D52-R70 IonicContact OD2-CZ 3.64Å; D52-R70 IonicContact OD2-NH2 3.93Å; W66-R70 VanDerWaalsContact CD1-NH1 3.26Å; W66-R70 VanDerWaalsContact CG-NH1 3.33Å; W66-R70 VanDerWaalsContact NE1-NH2 3.17Å; W66-R70 PolarHBondContact O-NH1 3.3Å; Y67-R70 PolarHBondContact O-N 3.3Å; A68-R70 PolarHBondContact O-N 3.45Å; A68-R70 VanDerWaalsContact O-N 3.16Å; R70-K72 PolarHBondContact O-N 2.92Å; R70-K72 PolarHBondContact O-NZ 2.88Å; R70-F112 HydrophobicContact CG-CB 4.27Å; R70-F112 PolarHBondContact NH2-O 2.8Å; R70-H114 PolarHBondContact N-CD2 2.81Å; R70-H114 VanDerWaalsContact N-CD2 3.3Å; R70-H114 PolarHBondContact N-NE2 3.41Å; R70-H114 PolarHBondContact NH1-NE2 2.98Å; R70-H114 VanDerWaalsContact NH1-NE2 3.12Å
71	D	71.6	Confident	75.2	Confident	69 Å²	69	74.6 Å²	74.6	37%	0.369	40%	0.396	S	S	.	.			trans	-68.6	111.6	168.9	-77.8	-28.1	0	0	0	111	S73 A76 R113	D71-S73 VanDerWaalsContact C-N 3.3Å; D71-A76 HydrophobicContact CB-CB 3.89Å; D71-A76 WeakPolarHBondContact O-CB 3.17Å; D71-R113 WeakPolarHBondContact OD2-CD 3.46Å; D71-R113 IonicContact OD2-CZ 3.52Å; D71-R113 IonicContact OD2-NE 2.84Å; D71-R113 IonicContact OD2-NH1 2.84Å; D71-R113 PolarHBondContact OD2-NH1 2.91Å
72	K	72.9	Confident	74.6	Confident	126 Å²	126	72.1 Å²	72.1	55%	0.548	37%	0.371	S	S	.	.			trans	-93.7	17.7	178.1	-67.8	161.5	-77.9	-73	0	112.6	Y67 A68 R70	Y67-K72 HydrophobicContact CE1-CD 4.35Å; Y67-K72 PolarHBondContact O-NZ 2.81Å; A68-K72 PolarHBondContact O-NZ 3.5Å; R70-K72 PolarHBondContact O-N 2.92Å; R70-K72 PolarHBondContact O-NZ 2.88Å
73	S	69.9	Low	73.9	Confident	57 Å²	57	70.9 Å²	70.9	40%	0.399	36%	0.362	S	S	.	.	S	Bend	trans	-72.5	149.4	-179.6	69.7	0	0	0	0	111.2	D71 K75 A76 F77	D71-S73 VanDerWaalsContact C-N 3.3Å; S73-K75 PolarHBondContact O-N 3.37Å; S73-K75 VanDerWaalsContact O-N 3.16Å; S73-A76 PolarHBondContact O-N 3.02Å; S73-A76 WeakPolarHBondContact OG-CB 3.06Å; S73-A76 PolarHBondContact OG-N 2.82Å; S73-F77 PolarHBondContact O-N 3.43Å
74	F	70	Confident	73.1	Confident	149 Å²	149	70.4 Å²	70.4	65%	0.654	37%	0.37	S	S	*	.	H	α-helix	trans	-56.4	-33.3	176.9	-172.7	-101.5	0	0	0	112.3	L27 F77 R78	L27-F74 HydrophobicContact CD2-CD1 4.46Å; F74-F77 PolarHBondContact O-N 3.12Å; F74-R78 WeakPolarHBondContact O-CB 3.39Å; F74-R78 PolarHBondContact O-N 2.81Å
75	K	68.9	Low	72.4	Confident	52 Å²	52	72.2 Å²	72.2	23%	0.226	37%	0.374	C	S	.	.	H	α-helix	trans	-62.3	-46.9	173.5	-179	176.7	176.2	173.4	0	112.1	E26 S73 F77 R78 A79	E26-K75 HydrophobicContact CB-CD 4.02Å; E26-K75 WeakPolarHBondContact OE2-CD 3.46Å; E26-K75 IonicContact OE2-NZ 3.94Å; E26-K75 PolarHBondContact OE2-NZ 3.16Å; S73-K75 PolarHBondContact O-N 3.37Å; S73-K75 VanDerWaalsContact O-N 3.16Å; K75-F77 VanDerWaalsContact C-N 3.33Å; K75-F77 PolarHBondContact O-N 2.86Å; K75-R78 PolarHBondContact O-N 3.45Å; K75-A79 WeakPolarHBondContact O-CB 3.3Å; K75-A79 PolarHBondContact O-N 3.5Å
76	A	67.9	Low	71.4	Confident	21 Å²	21	74.4 Å²	74.4	17%	0.174	38%	0.38	C	S	.	.	H	α-helix	trans	-64.1	-40.5	178.6	0	0	0	0	0	111.3	D71 S73 A79 A80	D71-A76 HydrophobicContact CB-CB 3.89Å; D71-A76 WeakPolarHBondContact O-CB 3.17Å; S73-A76 PolarHBondContact O-N 3.02Å; S73-A76 WeakPolarHBondContact OG-CB 3.06Å; S73-A76 PolarHBondContact OG-N 2.82Å; A76-A79 PolarHBondContact O-N 3.12Å; A76-A80 VanDerWaalsContact O-CB 3.27Å; A76-A80 WeakPolarHBondContact O-CB 3.12Å; A76-A80 PolarHBondContact O-N 3.4Å
77	F	73.8	Confident	70.2	Confident	127 Å²	127	74.6 Å²	74.6	56%	0.557	39%	0.39	S	S	*	.	H	α-helix	trans	-64.3	-50.4	175.7	-174	-108	0	0	0	112.3	S73 F74 K75 A79 A80 I81	S73-F77 PolarHBondContact O-N 3.43Å; F74-F77 PolarHBondContact O-N 3.12Å; K75-F77 VanDerWaalsContact C-N 3.33Å; K75-F77 PolarHBondContact O-N 2.86Å; F77-A79 VanDerWaalsContact C-N 3.3Å; F77-A79 PolarHBondContact O-N 2.69Å; F77-A80 PolarHBondContact O-N 3.01Å; F77-A80 VanDerWaalsContact O-N 3.12Å; F77-I81 HydrophobicContact CD1-CD1 3.65Å; F77-I81 HydrophobicContact CE1-CD1 3.18Å; F77-I81 HydrophobicContact CE1-CG1 4.3Å; F77-I81 HydrophobicContact CE2-CD1 4.15Å; F77-I81 HydrophobicContact CG-CD1 4.33Å; F77-I81 HydrophobicContact CZ-CD1 3.47Å; F77-I81 VanDerWaalsContact CZ-CD1 3.47Å; F77-I81 HydrophobicContact CZ-CG1 4.31Å; F77-I81 WeakPolarHBondContact O-CG1 3.45Å; F77-I81 PolarHBondContact O-N 3.14Å
78	R	71.1	Confident	68.9	Low	170 Å²	170	72.1 Å²	72.1	64%	0.642	40%	0.399	S	S	*	.	H	α-helix	trans	-59.4	-41.2	175.4	-177.9	-179.5	172.6	85.7	-0	111.7	F74 K75 G82	F74-R78 WeakPolarHBondContact O-CB 3.39Å; F74-R78 PolarHBondContact O-N 2.81Å; K75-R78 PolarHBondContact O-N 3.45Å; R78-G82 PolarHBondContact O-N 3.34Å
79	A	70.4	Confident	67.2	Low	35 Å²	35	77.8 Å²	77.8	29%	0.289	41%	0.412	S	S	.	.	H	α-helix	trans	-68.5	-35.3	176.6	0	0	0	0	0	112	K75 A76 F77 R83	K75-A79 WeakPolarHBondContact O-CB 3.3Å; K75-A79 PolarHBondContact O-N 3.5Å; A76-A79 PolarHBondContact O-N 3.12Å; F77-A79 VanDerWaalsContact C-N 3.3Å; F77-A79 PolarHBondContact O-N 2.69Å; A79-R83 VanDerWaalsContact O-CB 3.3Å; A79-R83 WeakPolarHBondContact O-CB 3.33Å; A79-R83 WeakPolarHBondContact O-CG 3.21Å; A79-R83 PolarHBondContact O-N 2.69Å; A79-R83 PolarHBondContact O-NE 3.3Å; A79-R83 VanDerWaalsContact O-NE 3.08Å
80	A	68.9	Low	66.3	Low	22 Å²	22	73.8 Å²	73.8	18%	0.182	40%	0.398	C	S	.	.	H	α-helix	trans	-68.2	-44.2	175.1	0	0	0	0	0	111.5	A76 F77 R83 G84 F112	A76-A80 VanDerWaalsContact O-CB 3.27Å; A76-A80 WeakPolarHBondContact O-CB 3.12Å; A76-A80 PolarHBondContact O-N 3.4Å; F77-A80 PolarHBondContact O-N 3.01Å; F77-A80 VanDerWaalsContact O-N 3.12Å; A80-R83 PolarHBondContact O-N 2.99Å; A80-G84 PolarHBondContact O-N 3.38Å; A80-F112 HydrophobicContact CB-CD1 4.45Å; A80-F112 HydrophobicContact CB-CE1 3.53Å; A80-F112 HydrophobicContact CB-CZ 3.59Å
81	I	72.6	Confident	65.3	Low	74 Å²	74	77.8 Å²	77.8	38%	0.379	42%	0.421	S	S	.	.	H	α-helix	trans	-61.3	-47.9	172.7	-69.4	173.3	0	0	0	110.4	F77 R83 G84 L85	F77-I81 HydrophobicContact CD1-CD1 3.65Å; F77-I81 HydrophobicContact CE1-CD1 3.18Å; F77-I81 HydrophobicContact CE1-CG1 4.3Å; F77-I81 HydrophobicContact CE2-CD1 4.15Å; F77-I81 HydrophobicContact CG-CD1 4.33Å; F77-I81 HydrophobicContact CZ-CD1 3.47Å; F77-I81 VanDerWaalsContact CZ-CD1 3.47Å; F77-I81 HydrophobicContact CZ-CG1 4.31Å; F77-I81 WeakPolarHBondContact O-CG1 3.45Å; F77-I81 PolarHBondContact O-N 3.14Å; I81-R83 VanDerWaalsContact C-N 3.25Å; I81-R83 PolarHBondContact O-N 3.13Å; I81-G84 PolarHBondContact O-N 3.33Å; I81-G84 VanDerWaalsContact O-N 3.11Å; I81-L85 HydrophobicContact CG2-CD1 3.55Å; I81-L85 HydrophobicContact CG2-CG 4.07Å; I81-L85 WeakPolarHBondContact O-CB 3.4Å; I81-L85 WeakPolarHBondContact O-CG 3.4Å; I81-L85 PolarHBondContact O-N 3.49Å
82	G	70	Confident	64	Low	23 Å²	23	77.7 Å²	77.7	24%	0.237	43%	0.43	C	S	.	.	H	α-helix	trans	-57.6	-39.7	177.7	0	0	0	0	0	112.1	R78 N86	R78-G82 PolarHBondContact O-N 3.34Å; G82-N86 VanDerWaalsContact O-CB 3.28Å; G82-N86 WeakPolarHBondContact O-CB 3.07Å; G82-N86 PolarHBondContact O-N 3.05Å; G82-N86 VanDerWaalsContact O-N 3.09Å; G82-N86 PolarHBondContact O-ND2 2.93Å
83	R	67.7	Low	62.8	Low	34 Å²	34	75.8 Å²	75.8	13%	0.128	43%	0.429	C	S	.	.	H	α-helix	trans	-69.1	-40.6	173.9	-76	-178.6	-89.4	-145.7	6.6	113.1	P44 W45 R46 A79 A80 I81 G87	P44-R83 WeakPolarHBondContact O-CG 3.39Å; W45-R83 WeakPolarHBondContact O-CG 3.27Å; R46-R83 PolarHBondContact O-NH1 2.77Å; A79-R83 VanDerWaalsContact O-CB 3.3Å; A79-R83 WeakPolarHBondContact O-CB 3.33Å; A79-R83 WeakPolarHBondContact O-CG 3.21Å; A79-R83 PolarHBondContact O-N 2.69Å; A79-R83 PolarHBondContact O-NE 3.3Å; A79-R83 VanDerWaalsContact O-NE 3.08Å; A80-R83 PolarHBondContact O-N 2.99Å; I81-R83 VanDerWaalsContact C-N 3.25Å; I81-R83 PolarHBondContact O-N 3.13Å; R83-G87 VanDerWaalsContact O-CA 3.27Å; R83-G87 WeakPolarHBondContact O-CA 3.34Å; R83-G87 PolarHBondContact O-N 3.48Å
84	G	66.9	Low	61.5	Low	46 Å²	46	74.1 Å²	74.1	47%	0.474	42%	0.417	S	S	.	.	H	α-helix	trans	-66.3	-44.7	178.6	0	0	0	0	0	112.7	A80 I81	A80-G84 PolarHBondContact O-N 3.38Å; I81-G84 PolarHBondContact O-N 3.33Å; I81-G84 VanDerWaalsContact O-N 3.11Å
85	L	66.6	Low	60.2	Low	130 Å²	130	74 Å²	74	68%	0.681	42%	0.416	S	S	*	.	H	α-helix	trans	-72.5	-42.2	-179.5	-65	175.3	0	0	0	112.3	I81	I81-L85 HydrophobicContact CG2-CD1 3.55Å; I81-L85 HydrophobicContact CG2-CG 4.07Å; I81-L85 WeakPolarHBondContact O-CB 3.4Å; I81-L85 WeakPolarHBondContact O-CG 3.4Å; I81-L85 PolarHBondContact O-N 3.49Å
86	N	61.7	Low	59.1	Low	85 Å²	85	78.3 Å²	78.3	46%	0.455	44%	0.44	S	S	.	.	H	α-helix	trans	-88.2	-13.6	-178.4	-64.5	-73	0	0	0	113.9	G82 A88 F89 S90	G82-N86 VanDerWaalsContact O-CB 3.28Å; G82-N86 WeakPolarHBondContact O-CB 3.07Å; G82-N86 PolarHBondContact O-N 3.05Å; G82-N86 VanDerWaalsContact O-N 3.09Å; G82-N86 PolarHBondContact O-ND2 2.93Å; N86-A88 PolarHBondContact O-N 3.16Å; N86-F89 PolarHBondContact O-N 3.38Å; N86-F89 VanDerWaalsContact O-N 3.08Å; N86-S90 WeakPolarHBondContact O-CB 3.22Å; N86-S90 PolarHBondContact O-N 2.76Å; N86-S90 PolarHBondContact O-OG 3.32Å
87	G	56.4	Low	58	Low	28 Å²	28	80.3 Å²	80.3	29%	0.289	46%	0.457	S	S	.	.	H	α-helix	trans	-62.8	-26.6	177.8	0	0	0	0	0	113	R83	R83-G87 VanDerWaalsContact O-CA 3.27Å; R83-G87 WeakPolarHBondContact O-CA 3.34Å; R83-G87 PolarHBondContact O-N 3.48Å
88	A	53.6	Low	56.3	Low	90 Å²	90	77.7 Å²	77.7	74%	0.744	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-23.5	174.3	0	0	0	0	0	113.5	N86	N86-A88 PolarHBondContact O-N 3.16Å
89	F	46.6	Very low	54.9	Low	183 Å²	183	75.4 Å²	75.4	80%	0.803	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-13.6	-169.7	-139.3	-95.9	0	0	0	114.7	N86	N86-F89 PolarHBondContact O-N 3.38Å; N86-F89 VanDerWaalsContact O-N 3.08Å
90	S	52.4	Low	53.4	Low	6 Å²	6	81.3 Å²	81.3	4%	0.042	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	2.3	-165.7	58.2	0	0	0	0	116.6	W45 N86 A92 T93 C94	W45-S90 WeakPolarHBondContact CB-OG 3.42Å; N86-S90 WeakPolarHBondContact O-CB 3.22Å; N86-S90 PolarHBondContact O-N 2.76Å; N86-S90 PolarHBondContact O-OG 3.32Å; S90-A92 PolarHBondContact O-N 3.49Å; S90-A92 VanDerWaalsContact O-N 3.08Å; S90-T93 PolarHBondContact O-N 3.3Å; S90-T93 PolarHBondContact O-OG1 3.08Å; S90-C94 PolarHBondContact O-N 3.22Å
91	N	50.5	Low	51.7	Low	106 Å²	106	87.2 Å²	87.2	57%	0.567	49%	0.494	S	S	*	.	H	α-helix	trans	-61.7	-16.5	173.4	-80.5	-25.6	0	0	0	113.1
92	A	46	Very low	49.7	Very low	67 Å²	67	91.8 Å²	91.8	55%	0.554	51%	0.514	S	S	*	.	H	α-helix	trans	-84.7	-40.5	176.4	0	0	0	0	0	113.8	S90	S90-A92 PolarHBondContact O-N 3.49Å; S90-A92 VanDerWaalsContact O-N 3.08Å
93	T	47.2	Very low	48	Very low	86 Å²	86	96.3 Å²	96.3	53%	0.528	54%	0.537	S	S	.	.	H	α-helix	trans	-80.8	-25.8	-174	48.6	0	0	0	0	113.5	W45 S90	W45-T93 WeakPolarHBondContact CH2-OG1 3.45Å; S90-T93 PolarHBondContact O-N 3.3Å; S90-T93 PolarHBondContact O-OG1 3.08Å
94	C	43.1	Very low	46.4	Very low	23 Å²	23	99 Å²	99	16%	0.155	56%	0.557	C	S	.	*	H	α-helix	trans	-68.2	-39.1	172.7	-142.8	0	0	0	0	112.5	W45 S90 I96 A97 F98	W45-C94 HydrophobicContact CH2-CB 4.38Å; W45-C94 HydrophobicContact CZ2-CB 3.43Å; W45-C94 VanDerWaalsContact CZ2-CB 3.43Å; W45-C94 VanDerWaalsContact CZ2-SG 3.56Å; S90-C94 PolarHBondContact O-N 3.22Å; C94-I96 VanDerWaalsContact C-N 3.29Å; C94-I96 PolarHBondContact O-N 2.98Å; C94-A97 PolarHBondContact O-N 2.84Å; C94-F98 WeakPolarHBondContact O-CB 3.35Å; C94-F98 WeakPolarHBondContact O-CD2 3.48Å; C94-F98 PolarHBondContact O-N 3.08Å; C94-F98 WeakPolarHBondContact SG-CD2 3.27Å; C94-F98 VanDerWaalsContact SG-CE2 3.52Å
95	K	42	Very low	44.8	Very low	147 Å²	147	102.1 Å²	102.1	64%	0.639	57%	0.567	S	S	*	*	H	α-helix	trans	-63.8	-33.5	-175	-87.7	-178.6	173.2	-177.2	0	112.8	A97 F98 N99	K95-A97 VanDerWaalsContact C-N 3.3Å; K95-A97 PolarHBondContact O-N 3.4Å; K95-F98 PolarHBondContact O-N 2.87Å; K95-N99 VanDerWaalsContact O-CG 3.3Å; K95-N99 PolarHBondContact O-N 3.29Å; K95-N99 PolarHBondContact O-ND2 2.93Å
96	I	45.6	Very low	43.1	Very low	141 Å²	141	103.5 Å²	103.5	72%	0.723	58%	0.575	S	S	*	*	H	α-helix	trans	-70.1	-28.3	-179.8	-58.3	168.5	0	0	0	111.3	C94	C94-I96 VanDerWaalsContact C-N 3.29Å; C94-I96 PolarHBondContact O-N 2.98Å
97	A	44	Very low	41.8	Very low	63 Å²	63	101.8 Å²	101.8	52%	0.521	58%	0.578	S	S	.	*	H	α-helix	trans	-94.6	-18.7	177.5	0	0	0	0	0	114.3	C94 K95	C94-A97 PolarHBondContact O-N 2.84Å; K95-A97 VanDerWaalsContact C-N 3.3Å; K95-A97 PolarHBondContact O-N 3.4Å
98	F	38.2	Very low	40.4	Very low	72 Å²	72	106 Å²	106	32%	0.316	60%	0.601	S	S	.	*	H	α-helix	trans	-98.4	-9.1	-177.4	-92.1	-89	0	0	0	114.7	C94 K95 D100 F101	C94-F98 WeakPolarHBondContact O-CB 3.35Å; C94-F98 WeakPolarHBondContact O-CD2 3.48Å; C94-F98 PolarHBondContact O-N 3.08Å; C94-F98 WeakPolarHBondContact SG-CD2 3.27Å; C94-F98 VanDerWaalsContact SG-CE2 3.52Å; K95-F98 PolarHBondContact O-N 2.87Å; F98-D100 PolarHBondContact O-N 2.79Å; F98-D100 VanDerWaalsContact O-N 3.11Å; F98-F101 CarbonylContact O-C 3.55Å; F98-F101 PolarHBondContact O-N 3.09Å
99	N	41.4	Very low	39.6	Very low	122 Å²	122	104.7 Å²	104.7	65%	0.652	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-13	177	-84.5	-16.6	0	0	0	113.8	K95	K95-N99 VanDerWaalsContact O-CG 3.3Å; K95-N99 PolarHBondContact O-N 3.29Å; K95-N99 PolarHBondContact O-ND2 2.93Å
100	D	40.2	Very low	39	Very low	159 Å²	159	101.9 Å²	101.9	85%	0.85	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-7	173	-66.7	-32.8	0	0	0	114.1	F98	F98-D100 PolarHBondContact O-N 2.79Å; F98-D100 VanDerWaalsContact O-N 3.11Å
101	F	33.8	Very low	38	Very low	147 Å²	147	102 Å²	102	65%	0.645	58%	0.584	S	S	*	*	S	Bend	trans	-140.5	90.7	-179.5	-160.6	-99.8	0	0	0	111.4	F98 V103	F98-F101 CarbonylContact O-C 3.55Å; F98-F101 PolarHBondContact O-N 3.09Å; F101-V103 HydrophobicContact CD1-CG2 4.13Å; F101-V103 HydrophobicContact CE1-CG2 3.77Å; F101-V103 PolarHBondContact O-N 2.86Å
102	Q	29.3	Very low	37.2	Very low	169 Å²	169	101.7 Å²	101.7	79%	0.79	58%	0.578	S	S	*	*			trans	-66.4	93.6	176.2	-67.6	-114.8	-30.8	0	0	111.2
103	V	34.6	Very low	36.6	Very low	119 Å²	119	101.1 Å²	101.1	72%	0.721	56%	0.562	S	S	*	*			trans	-118.9	96.3	148.8	-179.7	0	0	0	0	107.5	F101	F101-V103 HydrophobicContact CD1-CG2 4.13Å; F101-V103 HydrophobicContact CE1-CG2 3.77Å; F101-V103 PolarHBondContact O-N 2.86Å
104	T	34.6	Very low	35.8	Very low	91 Å²	91	97.3 Å²	97.3	56%	0.558	54%	0.538	S	S	*	.			trans	-62.3	158.4	170.7	49.7	0	0	0	0	110.7
105	T	33.5	Very low	35.1	Very low	111 Å²	111	100.5 Å²	100.5	68%	0.681	56%	0.556	S	S	*	*			trans	94	103.8	155.8	75.2	0	0	0	0	119
106	N	31.3	Very low	34.7	Very low	159 Å²	159	101.2 Å²	101.2	85%	0.85	57%	0.572	S	S	*	*			trans	80.7	109.7	131.7	-52.8	-19	0	0	0	119.7
107	G	33.1	Very low	34.2	Very low	49 Å²	49	99.2 Å²	99.2	51%	0.505	57%	0.565	S	S	.	*			trans	113.7	59.9	146.7	0	0	0	0	0	116.2	K51 T109	K51-G107 PolarHBondContact NZ-O 3.11Å; G107-T109 PolarHBondContact O-N 2.83Å
108	C	28.3	Very low	33.7	Very low	116 Å²	116	101.1 Å²	101.1	78%	0.784	57%	0.567	S	S	*	*			trans	-65.7	77.2	156.1	-153.6	0	0	0	0	108.3
109	T	36	Very low	33.4	Very low	62 Å²	62	102.7 Å²	102.7	38%	0.38	58%	0.581	S	S	.	*			trans	-121	126.9	168	61	0	0	0	0	108	K51 G107 G111	K51-T109 WeakPolarHBondContact CE-OG1 3.28Å; K51-T109 PolarHBondContact NZ-OG1 2.87Å; G107-T109 PolarHBondContact O-N 2.83Å; T109-G111 VanDerWaalsContact C-N 3.29Å; T109-G111 PolarHBondContact O-N 3.41Å
110	T	35	Very low	33	Very low	124 Å²	124	101.6 Å²	101.6	76%	0.761	58%	0.577	S	S	*	*			trans	-51.5	78.8	177.8	36.4	0	0	0	0	112.3
111	G	31.1	Very low	32.5	Very low	8 Å²	8	98 Å²	98	8%	0.082	56%	0.56	C	S	.	*			trans	-97	102.4	177.6	0	0	0	0	0	111.3	Y47 T109	Y47-G111 WeakPolarHBondContact CD1-O 3.45Å; T109-G111 VanDerWaalsContact C-N 3.29Å; T109-G111 PolarHBondContact O-N 3.41Å
112	F	32.2	Very low	32.4	Very low	100 Å²	100	94.7 Å²	94.7	44%	0.439	55%	0.554	S	S	.	*			trans	-54.1	140.9	159.5	-76.2	-97.3	0	0	0	109.8	D52 R70 A80	D52-F112 WeakPolarHBondContact CB-O 3.15Å; R70-F112 HydrophobicContact CG-CB 4.27Å; R70-F112 PolarHBondContact NH2-O 2.8Å; A80-F112 HydrophobicContact CB-CD1 4.45Å; A80-F112 HydrophobicContact CB-CE1 3.53Å; A80-F112 HydrophobicContact CB-CZ 3.59Å
113	R	34.6	Very low	32.6	Very low	56 Å²	56	89.4 Å²	89.4	21%	0.211	54%	0.537	C	S	.	.	B	Isolated β-bridge	trans	-63.3	138.4	-175.5	-167.7	179.7	-168	176.7	5.4	116.2	E33 Y47 D71 V115	E33-R113 VanDerWaalsContact CD-NH1 3.33Å; E33-R113 IonicContact OE1-CZ 2.92Å; E33-R113 IonicContact OE1-NE 3.65Å; E33-R113 IonicContact OE1-NH1 3.34Å; E33-R113 PolarHBondContact OE1-NH1 3.26Å; E33-R113 IonicContact OE1-NH2 2.6Å; E33-R113 PolarHBondContact OE1-NH2 3.3Å; E33-R113 IonicContact OE2-CZ 3.94Å; E33-R113 IonicContact OE2-NH1 2.99Å; Y47-R113 HydrophobicContact CE1-CB 4.28Å; Y47-R113 HydrophobicContact CE2-CB 4.22Å; Y47-R113 WeakPolarHBondContact OH-CB 3.11Å; Y47-R113 WeakPolarHBondContact OH-CD 3.49Å; Y47-R113 WeakPolarHBondContact OH-CG 3.39Å; D71-R113 WeakPolarHBondContact OD2-CD 3.46Å; D71-R113 IonicContact OD2-CZ 3.52Å; D71-R113 IonicContact OD2-NE 2.84Å; D71-R113 IonicContact OD2-NH1 2.84Å; D71-R113 PolarHBondContact OD2-NH1 2.91Å; R113-V115 HydrophobicContact CG-CG2 4.37Å
114	H	29.1	Very low	32.5	Very low	6 Å²	6	87.2 Å²	87.2	3%	0.028	52%	0.523	C	S	.	.	B	Isolated β-bridge	trans	-124.9	140.3	147.6	-68.5	166.1	0	0	0	111.6	D52 W66 R69 R70	D52-H114 VanDerWaalsContact CG-CG 3.41Å; D52-H114 WeakPolarHBondContact OD1-CA 3.2Å; D52-H114 WeakPolarHBondContact OD1-CB 2.93Å; D52-H114 IonicContact OD1-CG 3.55Å; D52-H114 PolarHBondContact OD1-N 3.2Å; D52-H114 IonicContact OD1-ND1 2.89Å; D52-H114 WeakPolarHBondContact OD2-CB 3.22Å; D52-H114 IonicContact OD2-CD2 3.86Å; D52-H114 PolarHBondContact OD2-CD2 3.32Å; D52-H114 IonicContact OD2-CE1 3.67Å; D52-H114 IonicContact OD2-CG 3.51Å; D52-H114 PolarHBondContact OD2-N 3.48Å; D52-H114 IonicContact OD2-ND1 3.81Å; D52-H114 PolarHBondContact OD2-ND1 2.85Å; D52-H114 IonicContact OD2-NE2 2.76Å; D52-H114 PolarHBondContact OD2-NE2 2.9Å; W66-H114 PolarHBondContact O-CE1 3.3Å; W66-H114 PolarHBondContact O-NE2 3.05Å; R69-H114 HydrophobicContact CB-CB 3.86Å; R69-H114 WeakPolarHBondContact CB-CD2 3.43Å; R69-H114 WeakPolarHBondContact CB-CE1 3.4Å; R69-H114 WeakPolarHBondContact CB-ND1 3.49Å; R69-H114 WeakPolarHBondContact CB-NE2 3.37Å; R69-H114 PolarHBondContact NE-CE1 3.48Å; R69-H114 PolarHBondContact NE-ND1 3.33Å; R69-H114 PolarHBondContact NH2-CE1 3.08Å; R69-H114 PolarHBondContact NH2-ND1 3.42Å; R69-H114 PolarHBondContact O-CD2 2.75Å; R70-H114 PolarHBondContact N-CD2 2.81Å; R70-H114 VanDerWaalsContact N-CD2 3.3Å; R70-H114 PolarHBondContact N-NE2 3.41Å; R70-H114 PolarHBondContact NH1-NE2 2.98Å; R70-H114 VanDerWaalsContact NH1-NE2 3.12Å
115	V	30.2	Very low	32.3	Very low	89 Å²	89	86.8 Å²	86.8	54%	0.539	52%	0.52	S	S	.	.			trans	-96.1	131	171	172.3	0	0	0	0	106.2	R113	R113-V115 HydrophobicContact CG-CG2 4.37Å
116	V	33.5	Very low	32.2	Very low	162 Å²	162	84.6 Å²	84.6	98%	0.982	51%	0.506	S	S	*	.			trans	68.2	0	-172.4	-168.7	0	0	0	0	113.7	K50	K50-V116 PolarHBondContact NZ-OXT 3.03Å

Retrieved 116 of 116 residues in 420.7 ms (Link to these results)

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