A0A077ZFG6_TRITR Loading...

Centrin

AlphaFold DB , UniProt , Accession A0A077ZFG6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 114 aa.

						>A0A077ZFG6_TRITR|A0A077ZFG6
MRALGFEPKTEDVKTVLNEFNIEGEVSSSEFLDIIAAKYAENGSRNEIMKAYTMFIGGHCGKITFDDLKRVAKELGETISDEELREMIEEADCNKDGMIDQEEFYQLMKKTNIY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	40	Very low	46.3	Very low	249 Å²	249	139.1 Å²	139.1	100%	1.227	72%	0.72	S	S	*	*				0	109.8	0	-66.7	-172.1	-163.1	0	0	108.3
2	R	41.5	Very low	47.6	Very low	246 Å²	246	133.9 Å²	133.9	93%	0.928	69%	0.694	S	S	*	*			trans	-156.9	90.5	166.6	-139.2	177.5	-174.3	176.5	0.4	103.4
3	A	44	Very low	48.6	Very low	91 Å²	91	124.2 Å²	124.2	75%	0.752	64%	0.644	S	S	*	*				70.3	124	106	0	0	0	0	0	111.3	G5	A3-G5 PolarHBondContact O-N 2.95Å; A3-G5 VanDerWaalsContact O-N 3.08Å
4	L	43.4	Very low	49.5	Very low	165 Å²	165	125.9 Å²	125.9	86%	0.864	64%	0.644	S	S	*	*			trans	-40.7	109.6	-169.8	-78.2	88.8	0	0	0	112.8	F6	L4-F6 PolarHBondContact O-N 3.5Å
5	G	45.6	Very low	50.6	Low	72 Å²	72	123.1 Å²	123.1	74%	0.742	64%	0.635	S	S	*	*			trans	-79.6	64.4	174.2	0	0	0	0	0	112.1	A3 E7	A3-G5 PolarHBondContact O-N 2.95Å; A3-G5 VanDerWaalsContact O-N 3.08Å; G5-E7 PolarHBondContact O-N 2.89Å; G5-E7 VanDerWaalsContact O-N 3.16Å
6	F	43.5	Very low	51.5	Low	157 Å²	157	116.4 Å²	116.4	69%	0.689	60%	0.602	S	S	*	*			trans	-79.7	78	155.2	-98.3	-91.2	0	0	0	106.8	L4 P8 M54	L4-F6 PolarHBondContact O-N 3.5Å; F6-P8 WeakPolarHBondContact O-CD 3.01Å; F6-M54 HydrophobicContact CB-CE 3.76Å
7	E	44.2	Very low	52.2	Low	169 Å²	169	111.5 Å²	111.5	79%	0.79	58%	0.577	S	S	*	*			trans	-69.7	110.1	151.9	-83.6	173.6	88.1	0	0	104.7	G5 K9	G5-E7 PolarHBondContact O-N 2.89Å; G5-E7 VanDerWaalsContact O-N 3.16Å; E7-K9 PolarHBondContact O-N 3.23Å
8	P	43.8	Very low	53	Low	30 Å²	30	112.7 Å²	112.7	20%	0.195	58%	0.584	C	S	.	*			trans	-56.5	115.8	166.8	24.1	-30.9	0	0	0	106.2	F6 T10	F6-P8 WeakPolarHBondContact O-CD 3.01Å; P8-T10 PolarHBondContact O-N 3.48Å
9	K	49.1	Very low	53.6	Low	132 Å²	132	114.8 Å²	114.8	57%	0.574	59%	0.591	S	S	*	*			trans	-63.1	142.8	175.1	-71.7	177.9	177.5	-176.3	0	106.2	E7 E11 D12 V13	E7-K9 PolarHBondContact O-N 3.23Å; K9-E11 HydrophobicContact CB-CB 4.21Å; K9-E11 PolarHBondContact O-N 3.16Å; K9-D12 PolarHBondContact N-OD2 3.28Å; K9-D12 WeakPolarHBondContact O-CB 3.01Å; K9-D12 PolarHBondContact O-N 3.01Å; K9-V13 PolarHBondContact O-N 3.01Å
10	T	57.8	Low	54.1	Low	92 Å²	92	112.9 Å²	112.9	56%	0.564	58%	0.578	S	S	*	*	H	α-helix	trans	-51.5	-25.6	171.6	42.9	0	0	0	0	111.9	P8 V13 K14	P8-T10 PolarHBondContact O-N 3.48Å; T10-V13 PolarHBondContact O-N 3.43Å; T10-K14 WeakPolarHBondContact O-CG 3.38Å; T10-K14 PolarHBondContact O-N 3.19Å; T10-K14 VanDerWaalsContact O-N 3.08Å
11	E	56.2	Low	54.5	Low	127 Å²	127	113.4 Å²	113.4	59%	0.593	58%	0.582	S	S	*	*	H	α-helix	trans	-58.8	-45.8	169.6	-62.9	-178	91.5	0	0	113.2	K9 V13 K14 T15	K9-E11 HydrophobicContact CB-CB 4.21Å; K9-E11 PolarHBondContact O-N 3.16Å; E11-V13 PolarHBondContact O-N 3.14Å; E11-K14 PolarHBondContact O-N 2.84Å; E11-T15 PolarHBondContact O-N 2.9Å; E11-T15 PolarHBondContact O-OG1 2.99Å
12	D	62.3	Low	55.5	Low	77 Å²	77	103 Å²	103	41%	0.412	53%	0.531	S	S	.	.	H	α-helix	trans	-66.7	-28.9	179.2	-55.8	-54.8	0	0	0	111.1	K9 V16 K38	K9-D12 PolarHBondContact N-OD2 3.28Å; K9-D12 WeakPolarHBondContact O-CB 3.01Å; K9-D12 PolarHBondContact O-N 3.01Å; D12-V16 VanDerWaalsContact O-CG2 3.25Å; D12-V16 WeakPolarHBondContact O-CG2 3.43Å; D12-V16 PolarHBondContact O-N 3.04Å; D12-K38 VanDerWaalsContact C-NZ 3.26Å; D12-K38 VanDerWaalsContact CB-NZ 3.33Å
13	V	60	Low	56.4	Low	8 Å²	8	100 Å²	100	5%	0.048	53%	0.527	C	S	.	.	H	α-helix	trans	-69.7	-49.5	174.9	-169.4	0	0	0	0	109.9	K9 T10 E11 T15 V16 L17 L75	K9-V13 PolarHBondContact O-N 3.01Å; T10-V13 PolarHBondContact O-N 3.43Å; E11-V13 PolarHBondContact O-N 3.14Å; V13-T15 VanDerWaalsContact C-N 3.3Å; V13-T15 PolarHBondContact O-N 2.85Å; V13-V16 PolarHBondContact O-N 3.42Å; V13-V16 VanDerWaalsContact O-N 3.16Å; V13-L17 HydrophobicContact CG1-CD1 4.06Å; V13-L17 HydrophobicContact CG1-CG 4.31Å; V13-L17 WeakPolarHBondContact O-CG 3.3Å; V13-L17 PolarHBondContact O-N 2.87Å; V13-L75 HydrophobicContact CB-CD2 4.24Å; V13-L75 HydrophobicContact CG1-CB 4.34Å; V13-L75 HydrophobicContact CG1-CD2 3.94Å; V13-L75 HydrophobicContact CG2-CD2 3.27Å; V13-L75 HydrophobicContact CG2-CG 4.47Å
14	K	61.8	Low	57.5	Low	148 Å²	148	98.7 Å²	98.7	64%	0.643	52%	0.523	S	S	*	.	H	α-helix	trans	-61.5	-38.1	179.7	-73.5	-178.7	178.5	-175.5	0	112.7	T10 E11 V16 L17 N18	T10-K14 WeakPolarHBondContact O-CG 3.38Å; T10-K14 PolarHBondContact O-N 3.19Å; T10-K14 VanDerWaalsContact O-N 3.08Å; E11-K14 PolarHBondContact O-N 2.84Å; K14-V16 VanDerWaalsContact C-N 3.34Å; K14-L17 PolarHBondContact O-N 3Å; K14-N18 VanDerWaalsContact O-CB 3.3Å; K14-N18 WeakPolarHBondContact O-CB 3.37Å; K14-N18 PolarHBondContact O-N 3.45Å
15	T	65.6	Low	58.4	Low	83 Å²	83	100 Å²	100	51%	0.509	53%	0.525	S	S	.	.	H	α-helix	trans	-60.4	-47.3	175.3	-58.2	0	0	0	0	110.3	E11 V13 N18 E19	E11-T15 PolarHBondContact O-N 2.9Å; E11-T15 PolarHBondContact O-OG1 2.99Å; V13-T15 VanDerWaalsContact C-N 3.3Å; V13-T15 PolarHBondContact O-N 2.85Å; T15-N18 PolarHBondContact O-N 3.13Å; T15-E19 HydrophobicContact CG2-CG 4.43Å; T15-E19 WeakPolarHBondContact O-CG 3.36Å; T15-E19 PolarHBondContact O-N 3.3Å
16	V	64.6	Low	59.3	Low	17 Å²	17	96.9 Å²	96.9	10%	0.103	49%	0.491	C	S	.	.	H	α-helix	trans	-68.3	-42.6	179.3	-178.4	0	0	0	0	111.4	D12 V13 K14 N18 E19 F20 I34 K38	D12-V16 VanDerWaalsContact O-CG2 3.25Å; D12-V16 WeakPolarHBondContact O-CG2 3.43Å; D12-V16 PolarHBondContact O-N 3.04Å; V13-V16 PolarHBondContact O-N 3.42Å; V13-V16 VanDerWaalsContact O-N 3.16Å; K14-V16 VanDerWaalsContact C-N 3.34Å; V16-N18 PolarHBondContact O-N 2.89Å; V16-E19 WeakPolarHBondContact O-CB 3.32Å; V16-E19 PolarHBondContact O-N 3.49Å; V16-F20 HydrophobicContact CG1-CD2 3.69Å; V16-F20 HydrophobicContact CG1-CE2 3.8Å; V16-F20 VanDerWaalsContact O-CD2 3.3Å; V16-F20 WeakPolarHBondContact O-CD2 3.45Å; V16-F20 PolarHBondContact O-N 2.56Å; V16-I34 HydrophobicContact CB-CG2 4.24Å; V16-I34 HydrophobicContact CG1-CB 4.21Å; V16-I34 HydrophobicContact CG1-CG2 3.67Å; V16-K38 HydrophobicContact CB-CB 4.48Å; V16-K38 HydrophobicContact CG1-CB 4.29Å; V16-K38 HydrophobicContact CG2-CB 3.8Å; V16-K38 HydrophobicContact CG2-CD 4.05Å; V16-K38 HydrophobicContact CG2-CG 3.87Å
17	L	64.3	Low	60.5	Low	33 Å²	33	91.7 Å²	91.7	17%	0.173	48%	0.475	C	S	.	.	H	α-helix	trans	-54.7	-41.9	173.6	-70.9	172.3	0	0	0	112.1	V13 K14 N21 I22 V26 I34	V13-L17 HydrophobicContact CG1-CD1 4.06Å; V13-L17 HydrophobicContact CG1-CG 4.31Å; V13-L17 WeakPolarHBondContact O-CG 3.3Å; V13-L17 PolarHBondContact O-N 2.87Å; K14-L17 PolarHBondContact O-N 3Å; L17-N21 PolarHBondContact O-N 3.39Å; L17-I22 PolarHBondContact O-N 2.92Å; L17-V26 HydrophobicContact CD2-CG2 3.54Å; L17-I34 HydrophobicContact CD2-CD1 3.38Å; L17-I34 HydrophobicContact CD2-CG1 4.12Å
18	N	65.7	Low	61.5	Low	132 Å²	132	84.2 Å²	84.2	71%	0.706	44%	0.441	S	S	*	.	H	α-helix	trans	-71.2	-35.5	176.8	-170.4	60	0	0	0	112.6	K14 T15 V16 F20 N21	K14-N18 VanDerWaalsContact O-CB 3.3Å; K14-N18 WeakPolarHBondContact O-CB 3.37Å; K14-N18 PolarHBondContact O-N 3.45Å; T15-N18 PolarHBondContact O-N 3.13Å; V16-N18 PolarHBondContact O-N 2.89Å; N18-F20 VanDerWaalsContact C-N 3.32Å; N18-N21 PolarHBondContact O-N 3.05Å; N18-N21 VanDerWaalsContact O-N 3.16Å
19	E	65.9	Low	62.7	Low	154 Å²	154	84.9 Å²	84.9	72%	0.72	45%	0.446	S	S	*	.	H	α-helix	trans	-64.1	-37.9	174.8	-66.4	-119.4	102.5	0	0	111.9	T15 V16 N21	T15-E19 HydrophobicContact CG2-CG 4.43Å; T15-E19 WeakPolarHBondContact O-CG 3.36Å; T15-E19 PolarHBondContact O-N 3.3Å; V16-E19 WeakPolarHBondContact O-CB 3.32Å; V16-E19 PolarHBondContact O-N 3.49Å; E19-N21 PolarHBondContact O-N 2.69Å
20	F	62.7	Low	63.7	Low	76 Å²	76	82.1 Å²	82.1	33%	0.333	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-0.5	175.8	-79.4	-97.3	0	0	0	113.4	V16 N18 I22 D33 A37 T111	V16-F20 HydrophobicContact CG1-CD2 3.69Å; V16-F20 HydrophobicContact CG1-CE2 3.8Å; V16-F20 VanDerWaalsContact O-CD2 3.3Å; V16-F20 WeakPolarHBondContact O-CD2 3.45Å; V16-F20 PolarHBondContact O-N 2.56Å; N18-F20 VanDerWaalsContact C-N 3.32Å; F20-I22 HydrophobicContact CB-CD1 3.53Å; F20-I22 HydrophobicContact CB-CG1 3.68Å; F20-I22 HydrophobicContact CG-CD1 4.33Å; F20-I22 PolarHBondContact O-N 3.2Å; F20-D33 HydrophobicContact CD1-CB 4.48Å; F20-D33 HydrophobicContact CE1-CB 4.06Å; F20-A37 HydrophobicContact CE1-CB 4.48Å; F20-A37 HydrophobicContact CE2-CB 3.2Å; F20-A37 HydrophobicContact CZ-CB 3.2Å; F20-T111 HydrophobicContact CE1-CG2 4.36Å; F20-T111 HydrophobicContact CZ-CG2 4.49Å
21	N	63.1	Low	64.3	Low	123 Å²	123	77.9 Å²	77.9	66%	0.658	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	38.8	-176.1	-165.1	81.8	0	0	0	112.2	L17 N18 E19 E23	L17-N21 PolarHBondContact O-N 3.39Å; N18-N21 PolarHBondContact O-N 3.05Å; N18-N21 VanDerWaalsContact O-N 3.16Å; E19-N21 PolarHBondContact O-N 2.69Å; N21-E23 PolarHBondContact O-N 3.12Å
22	I	61	Low	65	Low	30 Å²	30	72.1 Å²	72.1	15%	0.154	38%	0.382	C	S	.	.			trans	-85.6	102.9	-179.9	-61.8	169.2	0	0	0	107.9	L17 F20 V26 E30 I34	L17-I22 PolarHBondContact O-N 2.92Å; F20-I22 HydrophobicContact CB-CD1 3.53Å; F20-I22 HydrophobicContact CB-CG1 3.68Å; F20-I22 HydrophobicContact CG-CD1 4.33Å; F20-I22 PolarHBondContact O-N 3.2Å; I22-V26 HydrophobicContact CG2-CG2 4.1Å; I22-E30 HydrophobicContact CD1-CB 4.05Å; I22-E30 HydrophobicContact CD1-CG 4.48Å; I22-I34 HydrophobicContact CD1-CD1 3.43Å; I22-I34 VanDerWaalsContact CD1-CD1 3.43Å; I22-I34 HydrophobicContact CD1-CG1 3.56Å
23	E	60	Low	65.3	Low	183 Å²	183	70.9 Å²	70.9	86%	0.855	38%	0.376	S	S	*	.			trans	-95.6	98.1	172.8	-64.4	-163.9	105.3	0	0	109.7	N21	N21-E23 PolarHBondContact O-N 3.12Å
24	G	66.1	Low	65.9	Low	64 Å²	64	70.7 Å²	70.7	66%	0.66	38%	0.375	S	S	*	.	S	Bend	trans	126.7	-142.4	171.1	0	0	0	0	0	115
25	E	63.1	Low	66.2	Low	192 Å²	192	63.9 Å²	63.9	90%	0.897	35%	0.345	S	S	*	.	S	Bend	trans	-73.2	128.1	176.1	-64.1	178.6	109.7	0	0	109.2	S27	E25-S27 PolarHBondContact O-N 3.14Å
26	V	65.5	Low	66.3	Low	7 Å²	7	60 Å²	60	4%	0.042	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-74.3	121	176.3	177	0	0	0	0	108.9	L17 I22 E30 F31 I34 E77	L17-V26 HydrophobicContact CD2-CG2 3.54Å; I22-V26 HydrophobicContact CG2-CG2 4.1Å; V26-E30 HydrophobicContact CG1-CB 3.93Å; V26-F31 HydrophobicContact CG1-CB 3.68Å; V26-F31 HydrophobicContact CG1-CD2 4.32Å; V26-F31 VanDerWaalsContact CG1-N 3.33Å; V26-I34 HydrophobicContact CB-CD1 4.32Å; V26-I34 HydrophobicContact CG1-CD1 3.44Å; V26-I34 VanDerWaalsContact CG1-CD1 3.44Å; V26-I34 HydrophobicContact CG2-CD1 3.81Å; V26-E77 WeakPolarHBondContact CB-OE2 3.23Å; V26-E77 WeakPolarHBondContact CG2-OE2 3.3Å
27	S	67.7	Low	66.5	Low	49 Å²	49	60.8 Å²	60.8	34%	0.343	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-67.7	155.6	172.5	172.6	0	0	0	0	111.7	E25 S29 E30 F31	E25-S27 PolarHBondContact O-N 3.14Å; S27-S29 VanDerWaalsContact C-N 3.33Å; S27-S29 PolarHBondContact O-N 2.93Å; S27-E30 PolarHBondContact N-OE2 3.27Å; S27-E30 CarbonylContact O-C 3.51Å; S27-E30 WeakPolarHBondContact O-CB 3.48Å; S27-E30 PolarHBondContact O-N 2.88Å; S27-F31 PolarHBondContact O-N 2.97Å
28	S	65.1	Low	66.6	Low	12 Å²	12	60.7 Å²	60.7	8%	0.084	33%	0.328	C	S	.	.	H	α-helix	trans	-44.8	-53	173.3	34.5	0	0	0	0	113.1	E30 F31 L32 M87	S28-E30 PolarHBondContact O-N 3.25Å; S28-F31 PolarHBondContact O-N 2.8Å; S28-L32 PolarHBondContact O-N 3.25Å; S28-M87 VanDerWaalsContact CA-CG 3.5Å; S28-M87 VanDerWaalsContact O-CG 3.29Å; S28-M87 WeakPolarHBondContact O-CG 3.21Å
29	S	69	Low	66.5	Low	43 Å²	43	56.2 Å²	56.2	30%	0.301	30%	0.302	S	S	.	.	H	α-helix	trans	-67	-37.8	179.6	-40.5	0	0	0	0	112	S27 F31 L32 D33 E90	S27-S29 VanDerWaalsContact C-N 3.33Å; S27-S29 PolarHBondContact O-N 2.93Å; S29-F31 PolarHBondContact O-N 2.83Å; S29-L32 PolarHBondContact O-N 2.9Å; S29-D33 PolarHBondContact O-N 3.08Å; S29-D33 VanDerWaalsContact O-N 3.17Å; S29-E90 PolarHBondContact OG-OE2 3.06Å
30	E	70.2	Confident	66.3	Low	75 Å²	75	49.3 Å²	49.3	35%	0.35	27%	0.271	S	S	.	.	H	α-helix	trans	-68.1	-35.7	179.3	-68.8	175.5	166.2	0	0	112	I22 V26 S27 S28 L32 D33 I34	I22-E30 HydrophobicContact CD1-CB 4.05Å; I22-E30 HydrophobicContact CD1-CG 4.48Å; V26-E30 HydrophobicContact CG1-CB 3.93Å; S27-E30 PolarHBondContact N-OE2 3.27Å; S27-E30 CarbonylContact O-C 3.51Å; S27-E30 WeakPolarHBondContact O-CB 3.48Å; S27-E30 PolarHBondContact O-N 2.88Å; S28-E30 PolarHBondContact O-N 3.25Å; E30-L32 VanDerWaalsContact C-N 3.32Å; E30-L32 PolarHBondContact O-N 3.33Å; E30-D33 WeakPolarHBondContact O-CB 3.44Å; E30-D33 PolarHBondContact O-N 3.39Å; E30-D33 VanDerWaalsContact O-N 3.1Å; E30-I34 WeakPolarHBondContact O-CD1 3.24Å; E30-I34 VanDerWaalsContact O-CG1 3.31Å; E30-I34 WeakPolarHBondContact O-CG1 3.13Å; E30-I34 PolarHBondContact O-N 3.17Å
31	F	71.3	Confident	66.1	Low	2 Å²	2	53.1 Å²	53.1	1%	0.009	29%	0.29	C	S	.	.	H	α-helix	trans	-60.1	-46.6	175.5	-175.8	-91.9	0	0	0	110.3	V26 S27 S28 S29 D33 I34 I35 V71 A72 L75 I79 M87	V26-F31 HydrophobicContact CG1-CB 3.68Å; V26-F31 HydrophobicContact CG1-CD2 4.32Å; V26-F31 VanDerWaalsContact CG1-N 3.33Å; S27-F31 PolarHBondContact O-N 2.97Å; S28-F31 PolarHBondContact O-N 2.8Å; S29-F31 PolarHBondContact O-N 2.83Å; F31-D33 PolarHBondContact O-N 2.86Å; F31-I34 PolarHBondContact O-N 3.33Å; F31-I35 HydrophobicContact CD1-CD1 3.89Å; F31-I35 HydrophobicContact CD1-CG1 3.52Å; F31-I35 HydrophobicContact CE1-CD1 3.3Å; F31-I35 HydrophobicContact CE1-CG1 3.51Å; F31-I35 HydrophobicContact CE2-CD1 4.18Å; F31-I35 HydrophobicContact CE2-CG1 4.49Å; F31-I35 HydrophobicContact CG-CG1 4.15Å; F31-I35 HydrophobicContact CZ-CD1 3.5Å; F31-I35 VanDerWaalsContact CZ-CD1 3.5Å; F31-I35 HydrophobicContact CZ-CG1 4.04Å; F31-I35 VanDerWaalsContact O-CB 3.24Å; F31-I35 WeakPolarHBondContact O-CB 3.46Å; F31-I35 WeakPolarHBondContact O-CG1 3.13Å; F31-I35 PolarHBondContact O-N 2.85Å; F31-V71 HydrophobicContact CZ-CG1 4.23Å; F31-A72 HydrophobicContact CE2-CB 4.17Å; F31-A72 HydrophobicContact CZ-CB 3.91Å; F31-L75 HydrophobicContact CD2-CD1 4.35Å; F31-L75 HydrophobicContact CE2-CD1 3.34Å; F31-L75 HydrophobicContact CZ-CD1 3.51Å; F31-I79 HydrophobicContact CB-CD1 4.05Å; F31-I79 HydrophobicContact CD1-CD1 4.25Å; F31-I79 HydrophobicContact CD2-CD1 3.28Å; F31-I79 HydrophobicContact CE1-CD1 4.44Å; F31-I79 HydrophobicContact CE2-CD1 3.53Å; F31-I79 HydrophobicContact CG-CD1 3.61Å; F31-I79 HydrophobicContact CZ-CD1 4.08Å; F31-M87 HydrophobicContact CB-CE 3.93Å; F31-M87 HydrophobicContact CB-SD 4.41Å; F31-M87 HydrophobicContact CD1-CE 3.16Å; F31-M87 HydrophobicContact CD1-SD 4.34Å; F31-M87 HydrophobicContact CE1-CE 3.85Å; F31-M87 HydrophobicContact CG-CE 3.89Å
32	L	70	Confident	65.9	Low	6 Å²	6	52.4 Å²	52.4	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-58.4	-37.9	175.4	-66.8	-178.3	0	0	0	111.6	S28 S29 E30 A36 M87 L107	S28-L32 PolarHBondContact O-N 3.25Å; S29-L32 PolarHBondContact O-N 2.9Å; E30-L32 VanDerWaalsContact C-N 3.32Å; E30-L32 PolarHBondContact O-N 3.33Å; L32-A36 WeakPolarHBondContact O-CB 3.32Å; L32-A36 PolarHBondContact O-N 3.13Å; L32-M87 HydrophobicContact CD1-CB 4.09Å; L32-M87 HydrophobicContact CD1-CG 4.42Å; L32-M87 HydrophobicContact CD2-CB 4.45Å; L32-M87 HydrophobicContact CD2-CE 3.38Å; L32-M87 HydrophobicContact CG-CB 4.34Å; L32-M87 HydrophobicContact CG-CE 3.68Å; L32-M87 HydrophobicContact CG-CG 4.35Å; L32-L107 HydrophobicContact CB-CD1 4.27Å; L32-L107 HydrophobicContact CB-CD2 4.02Å; L32-L107 HydrophobicContact CB-CG 4.42Å; L32-L107 HydrophobicContact CD1-CD1 3.75Å; L32-L107 HydrophobicContact CD1-CD2 3.83Å; L32-L107 HydrophobicContact CD1-CG 4.38Å; L32-L107 HydrophobicContact CD2-CD2 3.88Å; L32-L107 HydrophobicContact CG-CD2 4.1Å
33	D	69.7	Low	65.8	Low	52 Å²	52	52 Å²	52	28%	0.278	29%	0.289	S	S	.	.	H	α-helix	trans	-69.6	-44.5	178	-69.6	-32.9	0	0	0	113	F20 S29 E30 F31 A36 A37 T111	F20-D33 HydrophobicContact CD1-CB 4.48Å; F20-D33 HydrophobicContact CE1-CB 4.06Å; S29-D33 PolarHBondContact O-N 3.08Å; S29-D33 VanDerWaalsContact O-N 3.17Å; E30-D33 WeakPolarHBondContact O-CB 3.44Å; E30-D33 PolarHBondContact O-N 3.39Å; E30-D33 VanDerWaalsContact O-N 3.1Å; F31-D33 PolarHBondContact O-N 2.86Å; D33-A36 PolarHBondContact O-N 3.07Å; D33-A36 VanDerWaalsContact O-N 3.13Å; D33-A37 WeakPolarHBondContact O-CB 3.46Å; D33-A37 PolarHBondContact O-N 3.35Å; D33-T111 HydrophobicContact CB-CG2 3.59Å; D33-T111 VanDerWaalsContact OD1-CB 3.24Å; D33-T111 WeakPolarHBondContact OD1-CB 3.4Å; D33-T111 WeakPolarHBondContact OD1-CG2 3.46Å; D33-T111 PolarHBondContact OD1-OG1 2.75Å
34	I	70.9	Confident	66.3	Low	4 Å²	4	46.1 Å²	46.1	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-58.6	-50.9	174.6	-70.3	153.3	0	0	0	109.8	V16 L17 I22 V26 E30 F31 A36 A37 K38	V16-I34 HydrophobicContact CB-CG2 4.24Å; V16-I34 HydrophobicContact CG1-CB 4.21Å; V16-I34 HydrophobicContact CG1-CG2 3.67Å; L17-I34 HydrophobicContact CD2-CD1 3.38Å; L17-I34 HydrophobicContact CD2-CG1 4.12Å; I22-I34 HydrophobicContact CD1-CD1 3.43Å; I22-I34 VanDerWaalsContact CD1-CD1 3.43Å; I22-I34 HydrophobicContact CD1-CG1 3.56Å; V26-I34 HydrophobicContact CB-CD1 4.32Å; V26-I34 HydrophobicContact CG1-CD1 3.44Å; V26-I34 VanDerWaalsContact CG1-CD1 3.44Å; V26-I34 HydrophobicContact CG2-CD1 3.81Å; E30-I34 WeakPolarHBondContact O-CD1 3.24Å; E30-I34 VanDerWaalsContact O-CG1 3.31Å; E30-I34 WeakPolarHBondContact O-CG1 3.13Å; E30-I34 PolarHBondContact O-N 3.17Å; F31-I34 PolarHBondContact O-N 3.33Å; I34-A36 PolarHBondContact O-N 3.45Å; I34-A37 PolarHBondContact O-N 3.42Å; I34-K38 WeakPolarHBondContact O-CB 3.12Å; I34-K38 PolarHBondContact O-N 3.3Å
35	I	69.2	Low	66.8	Low	4 Å²	4	50.1 Å²	50.1	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-55.7	-46.2	176.4	-66	-91	0	0	0	108.7	F31 K38 Y39 F55 V71 L75	F31-I35 HydrophobicContact CD1-CD1 3.89Å; F31-I35 HydrophobicContact CD1-CG1 3.52Å; F31-I35 HydrophobicContact CE1-CD1 3.3Å; F31-I35 HydrophobicContact CE1-CG1 3.51Å; F31-I35 HydrophobicContact CE2-CD1 4.18Å; F31-I35 HydrophobicContact CE2-CG1 4.49Å; F31-I35 HydrophobicContact CG-CG1 4.15Å; F31-I35 HydrophobicContact CZ-CD1 3.5Å; F31-I35 VanDerWaalsContact CZ-CD1 3.5Å; F31-I35 HydrophobicContact CZ-CG1 4.04Å; F31-I35 VanDerWaalsContact O-CB 3.24Å; F31-I35 WeakPolarHBondContact O-CB 3.46Å; F31-I35 WeakPolarHBondContact O-CG1 3.13Å; F31-I35 PolarHBondContact O-N 2.85Å; I35-K38 PolarHBondContact O-N 2.94Å; I35-Y39 HydrophobicContact CG2-CD2 4.09Å; I35-Y39 HydrophobicContact CG2-CE2 4.49Å; I35-Y39 WeakPolarHBondContact O-CD2 3.3Å; I35-Y39 PolarHBondContact O-N 3.26Å; I35-F55 HydrophobicContact CB-CZ 4.11Å; I35-F55 HydrophobicContact CD1-CE1 3.72Å; I35-F55 HydrophobicContact CD1-CZ 3.36Å; I35-F55 HydrophobicContact CG1-CZ 4.12Å; I35-F55 HydrophobicContact CG2-CE1 3.92Å; I35-F55 HydrophobicContact CG2-CE2 3.35Å; I35-F55 HydrophobicContact CG2-CZ 3.03Å; I35-V71 HydrophobicContact CD1-CG1 3.67Å; I35-L75 HydrophobicContact CD1-CD1 3.62Å
36	A	68.3	Low	67.6	Low	2 Å²	2	47.1 Å²	47.1	2%	0.017	25%	0.253	C	S	.	.	H	α-helix	trans	-63.4	-49.7	-175.6	0	0	0	0	0	112.5	L32 D33 I34 A40 M108 T111	L32-A36 WeakPolarHBondContact O-CB 3.32Å; L32-A36 PolarHBondContact O-N 3.13Å; D33-A36 PolarHBondContact O-N 3.07Å; D33-A36 VanDerWaalsContact O-N 3.13Å; I34-A36 PolarHBondContact O-N 3.45Å; A36-A40 WeakPolarHBondContact O-CA 3.49Å; A36-A40 VanDerWaalsContact O-CB 3.24Å; A36-A40 WeakPolarHBondContact O-CB 3.1Å; A36-A40 PolarHBondContact O-N 2.83Å; A36-M108 WeakPolarHBondContact CA-SD 3.43Å; A36-M108 HydrophobicContact CB-CB 4.35Å; A36-M108 HydrophobicContact CB-CE 3.86Å; A36-M108 HydrophobicContact CB-CG 4.31Å; A36-M108 HydrophobicContact CB-SD 3.32Å; A36-M108 WeakPolarHBondContact CB-SD 3.49Å; A36-M108 WeakPolarHBondContact O-CE 3.42Å; A36-T111 HydrophobicContact CB-CG2 4.16Å
37	A	67.1	Low	68	Low	34 Å²	34	49 Å²	49	28%	0.281	26%	0.262	S	S	.	.	H	α-helix	trans	-69.3	-36.4	178.9	0	0	0	0	0	113.1	F20 D33 I34 Y39	F20-A37 HydrophobicContact CE1-CB 4.48Å; F20-A37 HydrophobicContact CE2-CB 3.2Å; F20-A37 HydrophobicContact CZ-CB 3.2Å; D33-A37 WeakPolarHBondContact O-CB 3.46Å; D33-A37 PolarHBondContact O-N 3.35Å; I34-A37 PolarHBondContact O-N 3.42Å; A37-Y39 VanDerWaalsContact C-N 3.33Å; A37-Y39 PolarHBondContact O-N 3Å
38	K	66.8	Low	68.4	Low	30 Å²	30	47 Å²	47	13%	0.13	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-40.3	178.1	-173.1	164.1	-175.8	-176.3	0	112.7	D12 V16 I34 I35	D12-K38 VanDerWaalsContact C-NZ 3.26Å; D12-K38 VanDerWaalsContact CB-NZ 3.33Å; V16-K38 HydrophobicContact CB-CB 4.48Å; V16-K38 HydrophobicContact CG1-CB 4.29Å; V16-K38 HydrophobicContact CG2-CB 3.8Å; V16-K38 HydrophobicContact CG2-CD 4.05Å; V16-K38 HydrophobicContact CG2-CG 3.87Å; I34-K38 WeakPolarHBondContact O-CB 3.12Å; I34-K38 PolarHBondContact O-N 3.3Å; I35-K38 PolarHBondContact O-N 2.94Å
39	Y	64.4	Low	69.1	Low	39 Å²	39	49.5 Å²	49.5	15%	0.153	26%	0.259	C	S	.	.	H	α-helix	trans	-103.7	-12.9	-174	-63.3	-73.2	0	0	0	114.3	I35 A37 A51 M54 F55	I35-Y39 HydrophobicContact CG2-CD2 4.09Å; I35-Y39 HydrophobicContact CG2-CE2 4.49Å; I35-Y39 WeakPolarHBondContact O-CD2 3.3Å; I35-Y39 PolarHBondContact O-N 3.26Å; A37-Y39 VanDerWaalsContact C-N 3.33Å; A37-Y39 PolarHBondContact O-N 3Å; Y39-A51 HydrophobicContact CG-CB 4.08Å; Y39-M54 HydrophobicContact CD1-SD 4.12Å; Y39-M54 HydrophobicContact CE1-CE 4.19Å; Y39-M54 HydrophobicContact CE1-SD 3.29Å; Y39-M54 WeakPolarHBondContact CE1-SD 2.95Å; Y39-F55 AromaticContact CD2-CE2 3.99Å; Y39-F55 HydrophobicContact CD2-CE2 3.99Å; Y39-F55 HydrophobicContact CD2-CZ 4.35Å; Y39-F55 HydrophobicContact CE2-CE2 4.1Å; Y39-F55 HydrophobicContact CE2-CZ 4.13Å
40	A	61.4	Low	69.6	Low	8 Å²	8	54.5 Å²	54.5	7%	0.066	28%	0.275	C	S	.	.			trans	-114.4	53	170.9	0	0	0	0	0	111.8	A36 N42 G43 I48 M108	A36-A40 WeakPolarHBondContact O-CA 3.49Å; A36-A40 VanDerWaalsContact O-CB 3.24Å; A36-A40 WeakPolarHBondContact O-CB 3.1Å; A36-A40 PolarHBondContact O-N 2.83Å; A40-N42 PolarHBondContact O-N 2.92Å; A40-G43 PolarHBondContact O-N 3.42Å; A40-I48 HydrophobicContact CB-CD1 4.49Å; A40-I48 HydrophobicContact CB-CG1 3.69Å; A40-M108 HydrophobicContact CB-CE 3.29Å
41	E	57.4	Low	70	Confident	157 Å²	157	51 Å²	51	73%	0.734	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	-27.9	177.4	-154.7	-176.7	98.5	0	0	113.3
42	N	59.1	Low	70.5	Confident	107 Å²	107	51.6 Å²	51.6	57%	0.572	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.1	13.6	172	-53	-86.5	0	0	0	115.3	A40 S44 E47	A40-N42 PolarHBondContact O-N 2.92Å; N42-S44 PolarHBondContact O-N 3Å; N42-E47 WeakPolarHBondContact CA-OE2 3.44Å; N42-E47 WeakPolarHBondContact CB-OE2 3.39Å; N42-E47 PolarHBondContact N-OE2 2.74Å; N42-E47 VanDerWaalsContact N-OE2 3.13Å; N42-E47 PolarHBondContact ND2-OE1 2.82Å; N42-E47 PolarHBondContact ND2-OE2 3.13Å
43	G	60.4	Low	71.1	Confident	22 Å²	22	54.3 Å²	54.3	23%	0.227	28%	0.278	C	S	.	.			trans	59	10.9	-178.4	0	0	0	0	0	114.6	A40	A40-G43 PolarHBondContact O-N 3.42Å
44	S	70.3	Confident	71.5	Confident	60 Å²	60	54.9 Å²	54.9	42%	0.42	28%	0.28	S	S	.	.			trans	-75.6	137.5	-173.8	-78.8	0	0	0	0	110.2	N42 N46 E47 I48	N42-S44 PolarHBondContact O-N 3Å; S44-N46 PolarHBondContact O-N 3.3Å; S44-E47 PolarHBondContact O-N 3.04Å; S44-I48 PolarHBondContact O-N 2.7Å
45	R	75.4	Confident	71.8	Confident	147 Å²	147	54.8 Å²	54.8	56%	0.555	28%	0.279	S	S	*	.	H	α-helix	trans	-50.3	-35.4	-179.3	-172	179.8	-178.8	111.5	2.6	112.9	M49 Y105	R45-M49 VanDerWaalsContact O-CB 3.3Å; R45-M49 WeakPolarHBondContact O-CB 3.47Å; R45-M49 PolarHBondContact O-N 3.31Å; R45-Y105 HydrophobicContact CB-CE2 4.23Å; R45-Y105 HydrophobicContact CG-CE2 4.28Å
46	N	79.5	Confident	72.5	Confident	129 Å²	129	55.1 Å²	55.1	69%	0.69	28%	0.281	S	S	*	.	H	α-helix	trans	-68.4	-37.4	177.6	-71.7	-45.3	0	0	0	113.4	S44 K50	S44-N46 PolarHBondContact O-N 3.3Å; N46-K50 WeakPolarHBondContact O-CG 3.39Å; N46-K50 PolarHBondContact O-N 3.32Å
47	E	74.3	Confident	72.7	Confident	48 Å²	48	57.3 Å²	57.3	22%	0.224	30%	0.304	C	S	.	.	H	α-helix	trans	-74	-44.2	178.1	-68.6	179.7	123.6	0	0	110.8	N42 S44 M49 K50 A51	N42-E47 WeakPolarHBondContact CA-OE2 3.44Å; N42-E47 WeakPolarHBondContact CB-OE2 3.39Å; N42-E47 PolarHBondContact N-OE2 2.74Å; N42-E47 VanDerWaalsContact N-OE2 3.13Å; N42-E47 PolarHBondContact ND2-OE1 2.82Å; N42-E47 PolarHBondContact ND2-OE2 3.13Å; S44-E47 PolarHBondContact O-N 3.04Å; E47-M49 PolarHBondContact O-N 2.9Å; E47-K50 WeakPolarHBondContact O-CA 3.36Å; E47-K50 WeakPolarHBondContact O-CB 3.27Å; E47-K50 PolarHBondContact O-N 2.88Å; E47-A51 WeakPolarHBondContact O-CB 3.24Å; E47-A51 PolarHBondContact O-N 3.21Å
48	I	77.2	Confident	72.7	Confident	5 Å²	5	59.1 Å²	59.1	3%	0.026	33%	0.326	C	S	.	.	H	α-helix	trans	-56.4	-40.4	172.7	-65.7	166.8	0	0	0	110.6	A40 S44 A51 Y52 F104 Y105 M108	A40-I48 HydrophobicContact CB-CD1 4.49Å; A40-I48 HydrophobicContact CB-CG1 3.69Å; S44-I48 PolarHBondContact O-N 2.7Å; I48-A51 WeakPolarHBondContact O-CB 3.36Å; I48-A51 PolarHBondContact O-N 3.27Å; I48-Y52 WeakPolarHBondContact O-CB 3.48Å; I48-Y52 PolarHBondContact O-N 3.18Å; I48-F104 HydrophobicContact CG2-CD1 3.8Å; I48-F104 HydrophobicContact CG2-CE1 4.02Å; I48-Y105 HydrophobicContact CB-CD2 4.22Å; I48-Y105 HydrophobicContact CD1-CD2 3.49Å; I48-Y105 VanDerWaalsContact CD1-CD2 3.49Å; I48-Y105 HydrophobicContact CD1-CE2 3.55Å; I48-Y105 HydrophobicContact CG1-CD2 4.43Å; I48-Y105 HydrophobicContact CG2-CD2 3.87Å; I48-M108 HydrophobicContact CD1-CB 4.05Å; I48-M108 HydrophobicContact CG1-CB 4.09Å; I48-M108 HydrophobicContact CG1-CE 4.18Å; I48-M108 HydrophobicContact CG1-CG 4.4Å; I48-M108 HydrophobicContact CG2-CB 4.34Å; I48-M108 HydrophobicContact CG2-CG 3.99Å
49	M	79.5	Confident	72.8	Confident	66 Å²	66	61.4 Å²	61.4	33%	0.325	34%	0.337	S	S	.	.	H	α-helix	trans	-67.8	-38.1	176	-172.1	55.5	168.1	0	0	112.7	R45 E47 Y52 T53 Q101	R45-M49 VanDerWaalsContact O-CB 3.3Å; R45-M49 WeakPolarHBondContact O-CB 3.47Å; R45-M49 PolarHBondContact O-N 3.31Å; E47-M49 PolarHBondContact O-N 2.9Å; M49-Y52 WeakPolarHBondContact O-CB 3.41Å; M49-Y52 PolarHBondContact O-N 3.28Å; M49-Y52 HydrophobicContact SD-CD1 4.12Å; M49-T53 WeakPolarHBondContact O-CG2 3.42Å; M49-T53 PolarHBondContact O-N 2.83Å; M49-T53 PolarHBondContact O-OG1 3.39Å; M49-Q101 HydrophobicContact CE-CG 4.41Å; M49-Q101 HydrophobicContact SD-CG 3.76Å; M49-Q101 PolarHBondContact SD-NE2 3.4Å
50	K	79.9	Confident	73	Confident	147 Å²	147	66 Å²	66	64%	0.639	37%	0.373	S	S	*	.	H	α-helix	trans	-63.7	-44.7	174	-74.7	172.8	-179.2	-179.4	0	111.2	N46 E47 T53 M54	N46-K50 WeakPolarHBondContact O-CG 3.39Å; N46-K50 PolarHBondContact O-N 3.32Å; E47-K50 WeakPolarHBondContact O-CA 3.36Å; E47-K50 WeakPolarHBondContact O-CB 3.27Å; E47-K50 PolarHBondContact O-N 2.88Å; K50-T53 WeakPolarHBondContact CA-OG1 3.48Å; K50-T53 PolarHBondContact O-N 2.83Å; K50-T53 PolarHBondContact O-OG1 3.46Å; K50-M54 PolarHBondContact O-N 3.02Å
51	A	78.1	Confident	74	Confident	2 Å²	2	67.5 Å²	67.5	2%	0.017	39%	0.389	C	S	.	.	H	α-helix	trans	-53.9	-55.1	174	0	0	0	0	0	110.1	Y39 E47 I48 T53 M54 F55 F104 M108	Y39-A51 HydrophobicContact CG-CB 4.08Å; E47-A51 WeakPolarHBondContact O-CB 3.24Å; E47-A51 PolarHBondContact O-N 3.21Å; I48-A51 WeakPolarHBondContact O-CB 3.36Å; I48-A51 PolarHBondContact O-N 3.27Å; A51-T53 VanDerWaalsContact C-N 3.3Å; A51-T53 PolarHBondContact O-N 3.1Å; A51-M54 WeakPolarHBondContact O-CA 3.33Å; A51-M54 VanDerWaalsContact O-CB 3.26Å; A51-M54 WeakPolarHBondContact O-CB 3.44Å; A51-M54 PolarHBondContact O-N 3.17Å; A51-F55 WeakPolarHBondContact O-CD2 3.33Å; A51-F55 PolarHBondContact O-N 3.49Å; A51-F104 HydrophobicContact CB-CE1 3.88Å; A51-F104 HydrophobicContact CB-CZ 4.1Å; A51-M108 HydrophobicContact CB-CE 4.42Å
52	Y	82.4	Confident	75.4	Confident	14 Å²	14	62.5 Å²	62.5	6%	0.055	37%	0.365	C	S	.	.	H	α-helix	trans	-51.7	-46.5	176.9	-177.8	-95.3	0	0	0	112.6	I48 M49 M54 F55 I56 G61 K62 I63 Q101 F104	I48-Y52 WeakPolarHBondContact O-CB 3.48Å; I48-Y52 PolarHBondContact O-N 3.18Å; M49-Y52 WeakPolarHBondContact O-CB 3.41Å; M49-Y52 PolarHBondContact O-N 3.28Å; M49-Y52 HydrophobicContact SD-CD1 4.12Å; Y52-M54 PolarHBondContact O-N 3.41Å; Y52-F55 WeakPolarHBondContact O-CB 3.12Å; Y52-F55 PolarHBondContact O-N 3.43Å; Y52-I56 HydrophobicContact CD1-CD1 4.23Å; Y52-I56 HydrophobicContact CE1-CD1 4.11Å; Y52-I56 HydrophobicContact CE1-CG2 4.42Å; Y52-I56 PolarHBondContact O-N 3.49Å; Y52-G61 WeakPolarHBondContact CE1-O 3.29Å; Y52-G61 PolarHBondContact OH-O 2.91Å; Y52-K62 VanDerWaalsContact OH-CA 3.3Å; Y52-K62 WeakPolarHBondContact OH-CA 3.39Å; Y52-I63 HydrophobicContact CD2-CD1 3.66Å; Y52-I63 HydrophobicContact CD2-CG1 3.91Å; Y52-I63 HydrophobicContact CE2-CD1 3.9Å; Y52-I63 HydrophobicContact CE2-CG1 3.72Å; Y52-Q101 HydrophobicContact CE1-CB 4.28Å; Y52-Q101 HydrophobicContact CE2-CB 4.28Å; Y52-Q101 PolarHBondContact OH-N 3.46Å; Y52-F104 HydrophobicContact CD2-CB 3.72Å; Y52-F104 AromaticContact CD2-CD1 3.95Å; Y52-F104 HydrophobicContact CD2-CD1 3.95Å; Y52-F104 HydrophobicContact CD2-CD2 4.47Å; Y52-F104 AromaticContact CD2-CG 3.8Å; Y52-F104 HydrophobicContact CD2-CG 3.8Å; Y52-F104 HydrophobicContact CE2-CB 4.15Å; Y52-F104 HydrophobicContact CG-CD1 4.43Å
53	T	80.9	Confident	76.7	Confident	64 Å²	64	57.4 Å²	57.4	39%	0.393	34%	0.338	S	S	.	.	H	α-helix	trans	-66.4	-24.4	176.9	57.4	0	0	0	0	114.2	M49 K50 A51 I56	M49-T53 WeakPolarHBondContact O-CG2 3.42Å; M49-T53 PolarHBondContact O-N 2.83Å; M49-T53 PolarHBondContact O-OG1 3.39Å; K50-T53 WeakPolarHBondContact CA-OG1 3.48Å; K50-T53 PolarHBondContact O-N 2.83Å; K50-T53 PolarHBondContact O-OG1 3.46Å; A51-T53 VanDerWaalsContact C-N 3.3Å; A51-T53 PolarHBondContact O-N 3.1Å; T53-I56 HydrophobicContact CG2-CD1 4.35Å; T53-I56 VanDerWaalsContact O-CG1 3.29Å; T53-I56 WeakPolarHBondContact O-CG1 3.03Å
54	M	78.1	Confident	78	Confident	64 Å²	64	58 Å²	58	32%	0.315	34%	0.337	S	S	.	.	H	α-helix	trans	-76.9	-39.9	174.1	-169.5	178.2	-72.8	0	0	111.1	F6 Y39 K50 A51 Y52 I56 G57 R70	F6-M54 HydrophobicContact CB-CE 3.76Å; Y39-M54 HydrophobicContact CD1-SD 4.12Å; Y39-M54 HydrophobicContact CE1-CE 4.19Å; Y39-M54 HydrophobicContact CE1-SD 3.29Å; Y39-M54 WeakPolarHBondContact CE1-SD 2.95Å; K50-M54 PolarHBondContact O-N 3.02Å; A51-M54 WeakPolarHBondContact O-CA 3.33Å; A51-M54 VanDerWaalsContact O-CB 3.26Å; A51-M54 WeakPolarHBondContact O-CB 3.44Å; A51-M54 PolarHBondContact O-N 3.17Å; Y52-M54 PolarHBondContact O-N 3.41Å; M54-I56 PolarHBondContact O-N 3.16Å; M54-G57 PolarHBondContact O-N 2.7Å; M54-R70 PolarHBondContact O-NH2 3.24Å
55	F	78.7	Confident	78.8	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.009	33%	0.325	C	S	.	.	H	α-helix	trans	-55.1	-52.2	173.8	-85.5	-82.7	0	0	0	111.6	I35 Y39 A51 Y52 G57 I63 D67 L68 R70 V71 F104	I35-F55 HydrophobicContact CB-CZ 4.11Å; I35-F55 HydrophobicContact CD1-CE1 3.72Å; I35-F55 HydrophobicContact CD1-CZ 3.36Å; I35-F55 HydrophobicContact CG1-CZ 4.12Å; I35-F55 HydrophobicContact CG2-CE1 3.92Å; I35-F55 HydrophobicContact CG2-CE2 3.35Å; I35-F55 HydrophobicContact CG2-CZ 3.03Å; Y39-F55 AromaticContact CD2-CE2 3.99Å; Y39-F55 HydrophobicContact CD2-CE2 3.99Å; Y39-F55 HydrophobicContact CD2-CZ 4.35Å; Y39-F55 HydrophobicContact CE2-CE2 4.1Å; Y39-F55 HydrophobicContact CE2-CZ 4.13Å; A51-F55 WeakPolarHBondContact O-CD2 3.33Å; A51-F55 PolarHBondContact O-N 3.49Å; Y52-F55 WeakPolarHBondContact O-CB 3.12Å; Y52-F55 PolarHBondContact O-N 3.43Å; F55-G57 PolarHBondContact O-N 3.15Å; F55-I63 HydrophobicContact CB-CD1 3.61Å; F55-I63 HydrophobicContact CB-CG1 3.77Å; F55-I63 HydrophobicContact CB-CG2 4.32Å; F55-I63 HydrophobicContact CD1-CD1 4.46Å; F55-I63 HydrophobicContact CD2-CD1 4.46Å; F55-I63 HydrophobicContact CG-CD1 3.89Å; F55-D67 WeakPolarHBondContact O-CB 3.46Å; F55-L68 HydrophobicContact CD1-CD2 4.1Å; F55-L68 HydrophobicContact CE1-CD2 4.21Å; F55-R70 PolarHBondContact O-NH2 3.07Å; F55-V71 HydrophobicContact CD1-CB 4.28Å; F55-V71 HydrophobicContact CD1-CG1 4.46Å; F55-V71 HydrophobicContact CD1-CG2 3.73Å; F55-V71 HydrophobicContact CE1-CB 3.82Å; F55-V71 HydrophobicContact CE1-CG1 3.59Å; F55-V71 HydrophobicContact CE1-CG2 3.7Å; F55-V71 HydrophobicContact CZ-CG1 3.89Å; F55-V71 HydrophobicContact CZ-CG2 4.41Å; F55-F104 AromaticContact CD2-CE2 3.93Å; F55-F104 HydrophobicContact CD2-CE2 3.93Å; F55-F104 AromaticContact CD2-CZ 3.76Å; F55-F104 HydrophobicContact CD2-CZ 3.76Å; F55-F104 HydrophobicContact CE2-CE2 4.24Å; F55-F104 AromaticContact CE2-CZ 3.97Å; F55-F104 HydrophobicContact CE2-CZ 3.97Å; F55-F104 HydrophobicContact CG-CE2 4.42Å
56	I	83.2	Confident	79.4	Confident	10 Å²	10	55.8 Å²	55.8	5%	0.051	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-6.9	179.4	68.3	-166.8	0	0	0	113	Y52 T53 M54 G58 H59 I63	Y52-I56 HydrophobicContact CD1-CD1 4.23Å; Y52-I56 HydrophobicContact CE1-CD1 4.11Å; Y52-I56 HydrophobicContact CE1-CG2 4.42Å; Y52-I56 PolarHBondContact O-N 3.49Å; T53-I56 HydrophobicContact CG2-CD1 4.35Å; T53-I56 VanDerWaalsContact O-CG1 3.29Å; T53-I56 WeakPolarHBondContact O-CG1 3.03Å; M54-I56 PolarHBondContact O-N 3.16Å; I56-G58 PolarHBondContact O-N 3.29Å; I56-H59 WeakPolarHBondContact CD1-O 3.47Å; I56-H59 WeakPolarHBondContact CG1-O 3.47Å; I56-H59 PolarHBondContact O-CE1 3.34Å; I56-H59 PolarHBondContact O-N 3.38Å; I56-H59 PolarHBondContact O-ND1 3.03Å; I56-I63 HydrophobicContact CG2-CG1 3.89Å
57	G	72.3	Confident	79.8	Confident	49 Å²	49	50 Å²	50	51%	0.505	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	24.9	175.9	0	0	0	0	0	114.7	M54 F55	M54-G57 PolarHBondContact O-N 2.7Å; F55-G57 PolarHBondContact O-N 3.15Å
58	G	67.5	Low	80.2	Confident	71 Å²	71	47.8 Å²	47.8	73%	0.732	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.2	4.3	176.3	0	0	0	0	0	117	I56	I56-G58 PolarHBondContact O-N 3.29Å
59	H	68.7	Low	80.7	Confident	78 Å²	78	51.7 Å²	51.7	36%	0.361	31%	0.305	S	S	.	.			trans	-82.8	144.2	163	72.9	-90.3	0	0	0	109.9	I56 K62 D67	I56-H59 WeakPolarHBondContact CD1-O 3.47Å; I56-H59 WeakPolarHBondContact CG1-O 3.47Å; I56-H59 PolarHBondContact O-CE1 3.34Å; I56-H59 PolarHBondContact O-N 3.38Å; I56-H59 PolarHBondContact O-ND1 3.03Å; H59-K62 PolarHBondContact NE2-O 3.32Å; H59-D67 IonicContact CE1-OD1 3.59Å; H59-D67 PolarHBondContact CE1-OD1 2.83Å; H59-D67 VanDerWaalsContact CE1-OD1 3.27Å; H59-D67 IonicContact CE1-OD2 3.48Å; H59-D67 PolarHBondContact CE1-OD2 2.66Å; H59-D67 IonicContact ND1-OD1 3.15Å; H59-D67 IonicContact NE2-OD2 3.82Å
60	C	68.7	Low	81	Confident	136 Å²	136	52.7 Å²	52.7	92%	0.919	31%	0.305	S	S	*	.	S	Bend	trans	-78.5	124	171.2	-72.5	0	0	0	0	108.5
61	G	81.6	Confident	81.1	Confident	39 Å²	39	46 Å²	46	40%	0.402	28%	0.277	S	S	.	.	S	Bend	trans	164.5	-153.4	179.6	0	0	0	0	0	113.4	Y52	Y52-G61 WeakPolarHBondContact CE1-O 3.29Å; Y52-G61 PolarHBondContact OH-O 2.91Å
62	K	87.2	Confident	81.3	Confident	53 Å²	53	46.1 Å²	46.1	23%	0.23	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-99.2	153.5	174.6	-61.1	-171.1	172.5	-151.1	0	109.9	Y52 H59 T64 N94 D96 M98 I99 D100	Y52-K62 VanDerWaalsContact OH-CA 3.3Å; Y52-K62 WeakPolarHBondContact OH-CA 3.39Å; H59-K62 PolarHBondContact NE2-O 3.32Å; K62-T64 PolarHBondContact O-N 3.32Å; K62-N94 PolarHBondContact NZ-ND2 2.76Å; K62-N94 VanDerWaalsContact NZ-ND2 3.14Å; K62-D96 VanDerWaalsContact CD-OD2 3.27Å; K62-D96 WeakPolarHBondContact CD-OD2 3.41Å; K62-D96 WeakPolarHBondContact CE-OD2 3.31Å; K62-D96 IonicContact NZ-OD1 3.16Å; K62-D96 PolarHBondContact NZ-OD1 2.96Å; K62-D96 VanDerWaalsContact NZ-OD1 3.15Å; K62-D96 IonicContact NZ-OD2 3.27Å; K62-D96 PolarHBondContact NZ-OD2 2.99Å; K62-M98 HydrophobicContact CB-CB 3.54Å; K62-M98 HydrophobicContact CB-CG 4.42Å; K62-M98 HydrophobicContact CB-SD 4.15Å; K62-M98 HydrophobicContact CD-CB 3.69Å; K62-M98 HydrophobicContact CD-SD 4.43Å; K62-M98 HydrophobicContact CG-CB 4.29Å; K62-I99 CarbonylContact C-O 3.59Å; K62-D100 HydrophobicContact CD-CB 3.87Å; K62-D100 HydrophobicContact CG-CB 3.89Å; K62-D100 IonicContact NZ-OD1 3.73Å
63	I	86.8	Confident	81.3	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-68.7	121.2	173.4	-58.1	171.7	0	0	0	107.7	Y52 F55 I56 D67 L68 M98 I99 F104	Y52-I63 HydrophobicContact CD2-CD1 3.66Å; Y52-I63 HydrophobicContact CD2-CG1 3.91Å; Y52-I63 HydrophobicContact CE2-CD1 3.9Å; Y52-I63 HydrophobicContact CE2-CG1 3.72Å; F55-I63 HydrophobicContact CB-CD1 3.61Å; F55-I63 HydrophobicContact CB-CG1 3.77Å; F55-I63 HydrophobicContact CB-CG2 4.32Å; F55-I63 HydrophobicContact CD1-CD1 4.46Å; F55-I63 HydrophobicContact CD2-CD1 4.46Å; F55-I63 HydrophobicContact CG-CD1 3.89Å; I56-I63 HydrophobicContact CG2-CG1 3.89Å; I63-D67 HydrophobicContact CG2-CB 4Å; I63-L68 HydrophobicContact CG2-CD2 4.09Å; I63-L68 HydrophobicContact CG2-CG 3.88Å; I63-M98 WeakPolarHBondContact O-CA 3.29Å; I63-I99 HydrophobicContact CB-CB 4.14Å; I63-I99 PolarHBondContact N-O 3.17Å; I63-I99 PolarHBondContact O-N 2.95Å; I63-F104 HydrophobicContact CD1-CB 4.41Å; I63-F104 HydrophobicContact CD1-CD2 3.34Å; I63-F104 HydrophobicContact CD1-CE2 3.7Å; I63-F104 HydrophobicContact CD1-CG 3.97Å
64	T	87.4	Confident	81.3	Confident	33 Å²	33	56 Å²	56	20%	0.202	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-96.9	168.1	177.9	68.5	0	0	0	0	111.3	K62 D66 D67 L68 M98	K62-T64 PolarHBondContact O-N 3.32Å; T64-D66 PolarHBondContact O-N 2.96Å; T64-D66 PolarHBondContact OG1-N 3.48Å; T64-D67 WeakPolarHBondContact CB-OD2 3.3Å; T64-D67 PolarHBondContact N-OD2 2.8Å; T64-D67 WeakPolarHBondContact O-CB 3.31Å; T64-D67 PolarHBondContact O-N 3.06Å; T64-D67 VanDerWaalsContact O-N 3.08Å; T64-D67 PolarHBondContact OG1-N 3.25Å; T64-D67 PolarHBondContact OG1-OD2 2.92Å; T64-L68 PolarHBondContact O-N 2.88Å; T64-L68 VanDerWaalsContact O-N 3.14Å; T64-M98 HydrophobicContact CG2-CE 4.43Å; T64-M98 HydrophobicContact CG2-CG 4.42Å; T64-M98 HydrophobicContact CG2-SD 4.17Å
65	F	88	Confident	81.2	Confident	42 Å²	42	53.6 Å²	53.6	18%	0.184	31%	0.305	C	S	.	.	H	α-helix	trans	-53.3	-41.7	170.2	179.5	-92	0	0	0	113.2	D67 L68 K69 D81 L84 R85 I88	F65-D67 VanDerWaalsContact C-N 3.29Å; F65-D67 PolarHBondContact O-N 3.29Å; F65-L68 PolarHBondContact O-N 2.97Å; F65-K69 HydrophobicContact CE1-CD 4.05Å; F65-K69 WeakPolarHBondContact O-CB 3.45Å; F65-K69 PolarHBondContact O-N 3.06Å; F65-D81 WeakPolarHBondContact CE2-O 3.25Å; F65-D81 HydrophobicContact CZ-CB 3.75Å; F65-L84 HydrophobicContact CD2-CB 3.93Å; F65-L84 HydrophobicContact CE2-CB 3.33Å; F65-L84 HydrophobicContact CE2-CD1 4.14Å; F65-L84 HydrophobicContact CE2-CG 4.4Å; F65-L84 HydrophobicContact CZ-CB 4.01Å; F65-L84 HydrophobicContact CZ-CD1 4.02Å; F65-R85 HydrophobicContact CD2-CG 4.03Å; F65-R85 HydrophobicContact CE2-CG 3.8Å; F65-I88 HydrophobicContact CB-CD1 3.6Å; F65-I88 HydrophobicContact CD2-CD1 3.81Å; F65-I88 HydrophobicContact CG-CD1 4.21Å
66	D	87.8	Confident	81.2	Confident	119 Å²	119	56.4 Å²	56.4	64%	0.636	34%	0.335	S	S	*	.	H	α-helix	trans	-64.4	-33.3	177.4	-75	-86.3	0	0	0	112.6	T64 R70	T64-D66 PolarHBondContact O-N 2.96Å; T64-D66 PolarHBondContact OG1-N 3.48Å; D66-R70 WeakPolarHBondContact O-CB 3.24Å; D66-R70 PolarHBondContact O-N 3.42Å
67	D	87.1	Confident	81	Confident	8 Å²	8	58.3 Å²	58.3	4%	0.043	34%	0.344	C	S	.	.	H	α-helix	trans	-68.4	-46.8	175.8	-65	-62.3	0	0	0	111.9	F55 H59 I63 T64 F65 K69 R70 V71	F55-D67 WeakPolarHBondContact O-CB 3.46Å; H59-D67 IonicContact CE1-OD1 3.59Å; H59-D67 PolarHBondContact CE1-OD1 2.83Å; H59-D67 VanDerWaalsContact CE1-OD1 3.27Å; H59-D67 IonicContact CE1-OD2 3.48Å; H59-D67 PolarHBondContact CE1-OD2 2.66Å; H59-D67 IonicContact ND1-OD1 3.15Å; H59-D67 IonicContact NE2-OD2 3.82Å; I63-D67 HydrophobicContact CG2-CB 4Å; T64-D67 WeakPolarHBondContact CB-OD2 3.3Å; T64-D67 PolarHBondContact N-OD2 2.8Å; T64-D67 WeakPolarHBondContact O-CB 3.31Å; T64-D67 PolarHBondContact O-N 3.06Å; T64-D67 VanDerWaalsContact O-N 3.08Å; T64-D67 PolarHBondContact OG1-N 3.25Å; T64-D67 PolarHBondContact OG1-OD2 2.92Å; F65-D67 VanDerWaalsContact C-N 3.29Å; F65-D67 PolarHBondContact O-N 3.29Å; D67-K69 VanDerWaalsContact C-N 3.31Å; D67-K69 PolarHBondContact O-N 3.36Å; D67-R70 WeakPolarHBondContact O-CB 3.3Å; D67-R70 PolarHBondContact O-N 2.86Å; D67-R70 IonicContact OD1-NH1 2.66Å; D67-R70 PolarHBondContact OD1-NH1 2.99Å; D67-V71 WeakPolarHBondContact O-CG2 3.27Å; D67-V71 PolarHBondContact O-N 2.86Å
68	L	84.1	Confident	81.3	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-60.8	-43.6	175.4	-71.7	174.6	0	0	0	111	F55 I63 T64 F65 R70 V71 A72 L84 M87 I88 I99	F55-L68 HydrophobicContact CD1-CD2 4.1Å; F55-L68 HydrophobicContact CE1-CD2 4.21Å; I63-L68 HydrophobicContact CG2-CD2 4.09Å; I63-L68 HydrophobicContact CG2-CG 3.88Å; T64-L68 PolarHBondContact O-N 2.88Å; T64-L68 VanDerWaalsContact O-N 3.14Å; F65-L68 PolarHBondContact O-N 2.97Å; L68-R70 VanDerWaalsContact C-N 3.3Å; L68-R70 PolarHBondContact O-N 3.33Å; L68-V71 PolarHBondContact O-N 3.23Å; L68-A72 WeakPolarHBondContact O-CB 3.2Å; L68-A72 PolarHBondContact O-N 3.25Å; L68-L84 HydrophobicContact CB-CD2 3.99Å; L68-M87 HydrophobicContact CD2-CE 4.44Å; L68-I88 HydrophobicContact CD1-CD1 4.04Å; L68-I88 HydrophobicContact CD1-CG1 3.49Å; L68-I88 VanDerWaalsContact CD1-CG1 3.49Å; L68-I99 HydrophobicContact CD1-CD1 4.23Å
69	K	86.7	Confident	82	Confident	87 Å²	87	60.2 Å²	60.2	38%	0.378	33%	0.33	S	S	.	.	H	α-helix	trans	-60.2	-39.9	176	-171.3	165.8	-175.6	159.3	0	112.3	F65 D67 K73 D81 L84	F65-K69 HydrophobicContact CE1-CD 4.05Å; F65-K69 WeakPolarHBondContact O-CB 3.45Å; F65-K69 PolarHBondContact O-N 3.06Å; D67-K69 VanDerWaalsContact C-N 3.31Å; D67-K69 PolarHBondContact O-N 3.36Å; K69-K73 WeakPolarHBondContact O-CB 2.88Å; K69-K73 PolarHBondContact O-N 2.97Å; K69-K73 VanDerWaalsContact O-N 3.16Å; K69-D81 WeakPolarHBondContact CE-OD1 3.3Å; K69-D81 IonicContact NZ-OD1 2.69Å; K69-D81 PolarHBondContact NZ-OD1 2.97Å; K69-D81 IonicContact NZ-OD2 3.38Å; K69-D81 PolarHBondContact NZ-OD2 3.18Å; K69-L84 HydrophobicContact CB-CD1 3.72Å; K69-L84 HydrophobicContact CD-CD1 4.39Å; K69-L84 HydrophobicContact CG-CD1 3.97Å
70	R	85.7	Confident	82.9	Confident	86 Å²	86	59.3 Å²	59.3	33%	0.325	33%	0.333	S	S	.	.	H	α-helix	trans	-63.1	-49.7	174.5	-169.9	-173.3	76.1	-128.9	-9	110.4	M54 F55 D66 D67 L68 A72 K73 E74	M54-R70 PolarHBondContact O-NH2 3.24Å; F55-R70 PolarHBondContact O-NH2 3.07Å; D66-R70 WeakPolarHBondContact O-CB 3.24Å; D66-R70 PolarHBondContact O-N 3.42Å; D67-R70 WeakPolarHBondContact O-CB 3.3Å; D67-R70 PolarHBondContact O-N 2.86Å; D67-R70 IonicContact OD1-NH1 2.66Å; D67-R70 PolarHBondContact OD1-NH1 2.99Å; L68-R70 VanDerWaalsContact C-N 3.3Å; L68-R70 PolarHBondContact O-N 3.33Å; R70-A72 PolarHBondContact O-N 3.22Å; R70-K73 WeakPolarHBondContact O-CB 3.14Å; R70-K73 PolarHBondContact O-N 2.86Å; R70-E74 HydrophobicContact CG-CG 4.5Å; R70-E74 IonicContact NE-OE2 3.18Å; R70-E74 PolarHBondContact NE-OE2 3.01Å; R70-E74 WeakPolarHBondContact O-CG 3.3Å; R70-E74 PolarHBondContact O-N 2.6Å
71	V	83.1	Confident	83.9	Confident	7 Å²	7	56 Å²	56	4%	0.042	31%	0.307	C	S	.	.	H	α-helix	trans	-64	-43.1	-178.1	176.6	0	0	0	0	111.6	F31 I35 F55 D67 L68 K73 E74 L75	F31-V71 HydrophobicContact CZ-CG1 4.23Å; I35-V71 HydrophobicContact CD1-CG1 3.67Å; F55-V71 HydrophobicContact CD1-CB 4.28Å; F55-V71 HydrophobicContact CD1-CG1 4.46Å; F55-V71 HydrophobicContact CD1-CG2 3.73Å; F55-V71 HydrophobicContact CE1-CB 3.82Å; F55-V71 HydrophobicContact CE1-CG1 3.59Å; F55-V71 HydrophobicContact CE1-CG2 3.7Å; F55-V71 HydrophobicContact CZ-CG1 3.89Å; F55-V71 HydrophobicContact CZ-CG2 4.41Å; D67-V71 WeakPolarHBondContact O-CG2 3.27Å; D67-V71 PolarHBondContact O-N 2.86Å; L68-V71 PolarHBondContact O-N 3.23Å; V71-K73 VanDerWaalsContact C-N 3.28Å; V71-K73 PolarHBondContact O-N 3.02Å; V71-E74 WeakPolarHBondContact O-CB 3.19Å; V71-E74 PolarHBondContact O-N 2.73Å; V71-L75 HydrophobicContact CG1-CD1 3.92Å; V71-L75 HydrophobicContact CG1-CG 4.26Å; V71-L75 VanDerWaalsContact O-CG 3.31Å; V71-L75 WeakPolarHBondContact O-CG 3.2Å; V71-L75 PolarHBondContact O-N 3.43Å
72	A	81.9	Confident	84.2	Confident	4 Å²	4	61 Å²	61	3%	0.033	32%	0.319	C	S	.	.	H	α-helix	trans	-54.9	-46.1	174.4	0	0	0	0	0	111.3	F31 L68 R70 E74 L75 G76 E77 I79	F31-A72 HydrophobicContact CE2-CB 4.17Å; F31-A72 HydrophobicContact CZ-CB 3.91Å; L68-A72 WeakPolarHBondContact O-CB 3.2Å; L68-A72 PolarHBondContact O-N 3.25Å; R70-A72 PolarHBondContact O-N 3.22Å; A72-E74 PolarHBondContact O-N 3.23Å; A72-L75 PolarHBondContact O-N 3.3Å; A72-G76 PolarHBondContact O-N 3.45Å; A72-E77 CarbonylContact C-O 3.58Å; A72-E77 PolarHBondContact O-N 3.34Å; A72-I79 HydrophobicContact CB-CB 4.36Å; A72-I79 HydrophobicContact CB-CD1 3.9Å; A72-I79 HydrophobicContact CB-CG1 4.14Å
73	K	82.8	Confident	84.2	Confident	172 Å²	172	61.1 Å²	61.1	75%	0.748	32%	0.32	S	S	*	.	H	α-helix	trans	-64.3	-37.1	175.5	-172.6	176.9	-178.9	178.1	0	113.3	K69 R70 V71 L75 G76	K69-K73 WeakPolarHBondContact O-CB 2.88Å; K69-K73 PolarHBondContact O-N 2.97Å; K69-K73 VanDerWaalsContact O-N 3.16Å; R70-K73 WeakPolarHBondContact O-CB 3.14Å; R70-K73 PolarHBondContact O-N 2.86Å; V71-K73 VanDerWaalsContact C-N 3.28Å; V71-K73 PolarHBondContact O-N 3.02Å; K73-L75 VanDerWaalsContact C-N 3.31Å; K73-G76 PolarHBondContact O-N 3.06Å
74	E	80.4	Confident	84.1	Confident	113 Å²	113	61.1 Å²	61.1	53%	0.528	32%	0.321	S	S	.	.	H	α-helix	trans	-66.9	-32.9	175.4	-72	-174.9	92.8	0	0	112.1	R70 V71 A72 G76	R70-E74 HydrophobicContact CG-CG 4.5Å; R70-E74 IonicContact NE-OE2 3.18Å; R70-E74 PolarHBondContact NE-OE2 3.01Å; R70-E74 WeakPolarHBondContact O-CG 3.3Å; R70-E74 PolarHBondContact O-N 2.6Å; V71-E74 WeakPolarHBondContact O-CB 3.19Å; V71-E74 PolarHBondContact O-N 2.73Å; A72-E74 PolarHBondContact O-N 3.23Å; E74-G76 PolarHBondContact O-N 3.33Å
75	L	75.6	Confident	84.1	Confident	14 Å²	14	66 Å²	66	7%	0.073	34%	0.335	C	S	.	.	H	α-helix	trans	-76.2	-12.7	174.9	-63.9	172.3	0	0	0	112.9	V13 F31 I35 V71 A72 K73 E77	V13-L75 HydrophobicContact CB-CD2 4.24Å; V13-L75 HydrophobicContact CG1-CB 4.34Å; V13-L75 HydrophobicContact CG1-CD2 3.94Å; V13-L75 HydrophobicContact CG2-CD2 3.27Å; V13-L75 HydrophobicContact CG2-CG 4.47Å; F31-L75 HydrophobicContact CD2-CD1 4.35Å; F31-L75 HydrophobicContact CE2-CD1 3.34Å; F31-L75 HydrophobicContact CZ-CD1 3.51Å; I35-L75 HydrophobicContact CD1-CD1 3.62Å; V71-L75 HydrophobicContact CG1-CD1 3.92Å; V71-L75 HydrophobicContact CG1-CG 4.26Å; V71-L75 VanDerWaalsContact O-CG 3.31Å; V71-L75 WeakPolarHBondContact O-CG 3.2Å; V71-L75 PolarHBondContact O-N 3.43Å; A72-L75 PolarHBondContact O-N 3.3Å; K73-L75 VanDerWaalsContact C-N 3.31Å; L75-E77 VanDerWaalsContact C-N 3.29Å; L75-E77 HydrophobicContact CB-CG 4.23Å
76	G	78.5	Confident	84.1	Confident	61 Å²	61	69 Å²	69	63%	0.629	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	8.6	-176.3	0	0	0	0	0	113.7	A72 K73 E74	A72-G76 PolarHBondContact O-N 3.45Å; K73-G76 PolarHBondContact O-N 3.06Å; E74-G76 PolarHBondContact O-N 3.33Å
77	E	78.3	Confident	83.9	Confident	51 Å²	51	63.3 Å²	63.3	24%	0.238	32%	0.319	C	S	.	.			trans	-85.5	136.4	179	-67.2	-74.3	104.4	0	0	109.7	V26 A72 L75 I79	V26-E77 WeakPolarHBondContact CB-OE2 3.23Å; V26-E77 WeakPolarHBondContact CG2-OE2 3.3Å; A72-E77 CarbonylContact C-O 3.58Å; A72-E77 PolarHBondContact O-N 3.34Å; L75-E77 VanDerWaalsContact C-N 3.29Å; L75-E77 HydrophobicContact CB-CG 4.23Å; E77-I79 HydrophobicContact CB-CD1 4.38Å; E77-I79 HydrophobicContact CB-CG1 4.11Å
78	T	80.4	Confident	83.9	Confident	140 Å²	140	63.4 Å²	63.4	86%	0.859	32%	0.32	S	S	*	.			trans	-101.5	83.3	175.4	-50.4	0	0	0	0	108.6
79	I	81.7	Confident	84	Confident	19 Å²	19	70.1 Å²	70.1	10%	0.097	35%	0.351	C	S	.	.			trans	-90.8	133.6	177.6	-53	-179.1	0	0	0	108.8	F31 A72 E77 E83 L84 M87	F31-I79 HydrophobicContact CB-CD1 4.05Å; F31-I79 HydrophobicContact CD1-CD1 4.25Å; F31-I79 HydrophobicContact CD2-CD1 3.28Å; F31-I79 HydrophobicContact CE1-CD1 4.44Å; F31-I79 HydrophobicContact CE2-CD1 3.53Å; F31-I79 HydrophobicContact CG-CD1 3.61Å; F31-I79 HydrophobicContact CZ-CD1 4.08Å; A72-I79 HydrophobicContact CB-CB 4.36Å; A72-I79 HydrophobicContact CB-CD1 3.9Å; A72-I79 HydrophobicContact CB-CG1 4.14Å; E77-I79 HydrophobicContact CB-CD1 4.38Å; E77-I79 HydrophobicContact CB-CG1 4.11Å; I79-E83 HydrophobicContact CG2-CB 3.51Å; I79-E83 HydrophobicContact CG2-CG 4.5Å; I79-L84 HydrophobicContact CB-CD2 4.16Å; I79-L84 HydrophobicContact CB-CG 4.18Å; I79-L84 HydrophobicContact CG2-CD2 3.86Å; I79-L84 HydrophobicContact CG2-CG 3.76Å; I79-M87 HydrophobicContact CG2-SD 4.46Å
80	S	88	Confident	83.9	Confident	60 Å²	60	71 Å²	71	42%	0.42	36%	0.357	S	S	.	.			trans	-69.7	153.9	-179.3	-51.2	0	0	0	0	111.5	E82 E83 L84	S80-E82 PolarHBondContact O-N 3.32Å; S80-E83 WeakPolarHBondContact CB-OE2 3.26Å; S80-E83 PolarHBondContact N-OE2 2.63Å; S80-E83 PolarHBondContact O-N 2.92Å; S80-E83 PolarHBondContact OG-OE2 3.16Å; S80-L84 WeakPolarHBondContact O-CG 3.12Å; S80-L84 PolarHBondContact O-N 3.33Å
81	D	88.7	Confident	83.9	Confident	67 Å²	67	67.2 Å²	67.2	36%	0.358	34%	0.344	S	S	.	.	H	α-helix	trans	-61.6	-25.8	176	-74	-10.1	0	0	0	112.4	F65 K69 R85	F65-D81 WeakPolarHBondContact CE2-O 3.25Å; F65-D81 HydrophobicContact CZ-CB 3.75Å; K69-D81 WeakPolarHBondContact CE-OD1 3.3Å; K69-D81 IonicContact NZ-OD1 2.69Å; K69-D81 PolarHBondContact NZ-OD1 2.97Å; K69-D81 IonicContact NZ-OD2 3.38Å; K69-D81 PolarHBondContact NZ-OD2 3.18Å; D81-R85 WeakPolarHBondContact O-CG 3.29Å; D81-R85 PolarHBondContact O-N 3.08Å
82	E	89.1	Confident	84.1	Confident	143 Å²	143	67.3 Å²	67.3	67%	0.668	34%	0.344	S	S	*	.	H	α-helix	trans	-71.1	-50.5	173.9	-71.1	170.9	95.9	0	0	110.9	S80 L84 R85 E86	S80-E82 PolarHBondContact O-N 3.32Å; E82-L84 VanDerWaalsContact C-N 3.34Å; E82-L84 PolarHBondContact O-N 3.3Å; E82-R85 WeakPolarHBondContact O-CA 3.49Å; E82-R85 WeakPolarHBondContact O-CB 3.48Å; E82-R85 PolarHBondContact O-N 3.38Å; E82-E86 PolarHBondContact O-N 3.16Å
83	E	85.4	Confident	84.3	Confident	55 Å²	55	72.1 Å²	72.1	26%	0.257	38%	0.376	S	S	.	.	H	α-helix	trans	-60.2	-43	178.2	-65.6	171.7	104.9	0	0	111.7	I79 S80 R85 E86 M87	I79-E83 HydrophobicContact CG2-CB 3.51Å; I79-E83 HydrophobicContact CG2-CG 4.5Å; S80-E83 WeakPolarHBondContact CB-OE2 3.26Å; S80-E83 PolarHBondContact N-OE2 2.63Å; S80-E83 PolarHBondContact O-N 2.92Å; S80-E83 PolarHBondContact OG-OE2 3.16Å; E83-R85 VanDerWaalsContact C-N 3.25Å; E83-R85 PolarHBondContact O-N 3.14Å; E83-E86 PolarHBondContact O-N 3.33Å; E83-M87 VanDerWaalsContact O-CG 3.25Å; E83-M87 WeakPolarHBondContact O-CG 3.49Å; E83-M87 PolarHBondContact O-N 2.96Å
84	L	85.8	Confident	84.6	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-61.7	-32	174.7	-72.5	176	0	0	0	112.7	F65 L68 K69 I79 S80 E82 M87 I88	F65-L84 HydrophobicContact CD2-CB 3.93Å; F65-L84 HydrophobicContact CE2-CB 3.33Å; F65-L84 HydrophobicContact CE2-CD1 4.14Å; F65-L84 HydrophobicContact CE2-CG 4.4Å; F65-L84 HydrophobicContact CZ-CB 4.01Å; F65-L84 HydrophobicContact CZ-CD1 4.02Å; L68-L84 HydrophobicContact CB-CD2 3.99Å; K69-L84 HydrophobicContact CB-CD1 3.72Å; K69-L84 HydrophobicContact CD-CD1 4.39Å; K69-L84 HydrophobicContact CG-CD1 3.97Å; I79-L84 HydrophobicContact CB-CD2 4.16Å; I79-L84 HydrophobicContact CB-CG 4.18Å; I79-L84 HydrophobicContact CG2-CD2 3.86Å; I79-L84 HydrophobicContact CG2-CG 3.76Å; S80-L84 WeakPolarHBondContact O-CG 3.12Å; S80-L84 PolarHBondContact O-N 3.33Å; E82-L84 VanDerWaalsContact C-N 3.34Å; E82-L84 PolarHBondContact O-N 3.3Å; L84-M87 HydrophobicContact CD2-SD 3.91Å; L84-I88 WeakPolarHBondContact O-CG1 3.36Å; L84-I88 PolarHBondContact O-N 2.94Å
85	R	87.6	Confident	84.8	Confident	134 Å²	134	70.6 Å²	70.6	51%	0.506	37%	0.372	S	S	.	.	H	α-helix	trans	-72.5	-42.8	173.8	-77.9	-175	-162.6	114.3	5.6	111.3	F65 D81 E82 E83 M87 I88 E89	F65-R85 HydrophobicContact CD2-CG 4.03Å; F65-R85 HydrophobicContact CE2-CG 3.8Å; D81-R85 WeakPolarHBondContact O-CG 3.29Å; D81-R85 PolarHBondContact O-N 3.08Å; E82-R85 WeakPolarHBondContact O-CA 3.49Å; E82-R85 WeakPolarHBondContact O-CB 3.48Å; E82-R85 PolarHBondContact O-N 3.38Å; E83-R85 VanDerWaalsContact C-N 3.25Å; E83-R85 PolarHBondContact O-N 3.14Å; R85-M87 PolarHBondContact O-N 3.3Å; R85-I88 PolarHBondContact O-N 3.45Å; R85-E89 PolarHBondContact O-N 3.27Å
86	E	88	Confident	85.5	Confident	105 Å²	105	73.3 Å²	73.3	49%	0.491	39%	0.386	S	S	.	.	H	α-helix	trans	-57.4	-41	176.2	-68.1	-177.9	107	0	0	110.6	E82 E83 I88 E89 E90	E82-E86 PolarHBondContact O-N 3.16Å; E83-E86 PolarHBondContact O-N 3.33Å; E86-I88 VanDerWaalsContact C-N 3.34Å; E86-I88 PolarHBondContact O-N 3.33Å; E86-E89 PolarHBondContact O-N 3.18Å; E86-E90 WeakPolarHBondContact O-CG 3.2Å; E86-E90 PolarHBondContact O-N 2.63Å
87	M	82.5	Confident	85.9	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-58.6	-43.1	174.3	-67.6	168.3	63.8	0	0	113.3	S28 F31 L32 L68 I79 E83 L84 R85 A91	S28-M87 VanDerWaalsContact CA-CG 3.5Å; S28-M87 VanDerWaalsContact O-CG 3.29Å; S28-M87 WeakPolarHBondContact O-CG 3.21Å; F31-M87 HydrophobicContact CB-CE 3.93Å; F31-M87 HydrophobicContact CB-SD 4.41Å; F31-M87 HydrophobicContact CD1-CE 3.16Å; F31-M87 HydrophobicContact CD1-SD 4.34Å; F31-M87 HydrophobicContact CE1-CE 3.85Å; F31-M87 HydrophobicContact CG-CE 3.89Å; L32-M87 HydrophobicContact CD1-CB 4.09Å; L32-M87 HydrophobicContact CD1-CG 4.42Å; L32-M87 HydrophobicContact CD2-CB 4.45Å; L32-M87 HydrophobicContact CD2-CE 3.38Å; L32-M87 HydrophobicContact CG-CB 4.34Å; L32-M87 HydrophobicContact CG-CE 3.68Å; L32-M87 HydrophobicContact CG-CG 4.35Å; L68-M87 HydrophobicContact CD2-CE 4.44Å; I79-M87 HydrophobicContact CG2-SD 4.46Å; E83-M87 VanDerWaalsContact O-CG 3.25Å; E83-M87 WeakPolarHBondContact O-CG 3.49Å; E83-M87 PolarHBondContact O-N 2.96Å; L84-M87 HydrophobicContact CD2-SD 3.91Å; R85-M87 PolarHBondContact O-N 3.3Å; M87-A91 WeakPolarHBondContact O-CB 2.99Å; M87-A91 PolarHBondContact O-N 3.03Å
88	I	87	Confident	86.3	Confident	10 Å²	10	73.6 Å²	73.6	5%	0.051	38%	0.383	C	S	.	.	H	α-helix	trans	-67.1	-46.4	177.2	-64.8	169	0	0	0	109.1	F65 L68 L84 R85 E86 E90 A91 D92 I99	F65-I88 HydrophobicContact CB-CD1 3.6Å; F65-I88 HydrophobicContact CD2-CD1 3.81Å; F65-I88 HydrophobicContact CG-CD1 4.21Å; L68-I88 HydrophobicContact CD1-CD1 4.04Å; L68-I88 HydrophobicContact CD1-CG1 3.49Å; L68-I88 VanDerWaalsContact CD1-CG1 3.49Å; L84-I88 WeakPolarHBondContact O-CG1 3.36Å; L84-I88 PolarHBondContact O-N 2.94Å; R85-I88 PolarHBondContact O-N 3.45Å; E86-I88 VanDerWaalsContact C-N 3.34Å; E86-I88 PolarHBondContact O-N 3.33Å; I88-E90 PolarHBondContact O-N 3.28Å; I88-A91 PolarHBondContact O-N 3.08Å; I88-A91 VanDerWaalsContact O-N 3.13Å; I88-D92 HydrophobicContact CG2-CB 4.11Å; I88-D92 WeakPolarHBondContact O-CA 3.4Å; I88-D92 WeakPolarHBondContact O-CB 3.25Å; I88-D92 PolarHBondContact O-N 3.47Å; I88-I99 HydrophobicContact CG1-CD1 4.44Å; I88-I99 HydrophobicContact CG2-CG1 4.45Å
89	E	86.9	Confident	86.7	Confident	143 Å²	143	67 Å²	67	67%	0.668	34%	0.342	S	S	*	.	H	α-helix	trans	-60.6	-32.4	179.2	-72	-172	86.3	0	0	113.1	R85 E86	R85-E89 PolarHBondContact O-N 3.27Å; E86-E89 PolarHBondContact O-N 3.18Å
90	E	85.1	Confident	87.1	Confident	107 Å²	107	67.9 Å²	67.9	50%	0.5	35%	0.347	S	S	.	.	H	α-helix	trans	-73.3	-34.6	175.5	-74	-158.8	93.6	0	0	113.3	S29 E86 I88	S29-E90 PolarHBondContact OG-OE2 3.06Å; E86-E90 WeakPolarHBondContact O-CG 3.2Å; E86-E90 PolarHBondContact O-N 2.63Å; I88-E90 PolarHBondContact O-N 3.28Å
91	A	84.5	Confident	86.9	Confident	5 Å²	5	68.6 Å²	68.6	4%	0.041	34%	0.344	C	S	.	.	H	α-helix	trans	-89.3	-35.4	-177.9	0	0	0	0	0	113.2	M87 I88 C93 I99 L107	M87-A91 WeakPolarHBondContact O-CB 2.99Å; M87-A91 PolarHBondContact O-N 3.03Å; I88-A91 PolarHBondContact O-N 3.08Å; I88-A91 VanDerWaalsContact O-N 3.13Å; A91-C93 PolarHBondContact O-N 3Å; A91-C93 VanDerWaalsContact O-N 3.08Å; A91-I99 HydrophobicContact CB-CD1 3.55Å; A91-I99 HydrophobicContact CB-CG1 3.81Å; A91-I99 HydrophobicContact CB-CG2 4.14Å; A91-L107 HydrophobicContact CB-CD1 4.3Å; A91-L107 HydrophobicContact CB-CD2 4.17Å
92	D	88.3	Confident	86.8	Confident	10 Å²	10	71.8 Å²	71.8	5%	0.053	36%	0.357	C	S	.	.			trans	-76.6	90	-178	179.8	12.5	0	0	0	110.8	I88 N94 K95 D96 G97	I88-D92 HydrophobicContact CG2-CB 4.11Å; I88-D92 WeakPolarHBondContact O-CA 3.4Å; I88-D92 WeakPolarHBondContact O-CB 3.25Å; I88-D92 PolarHBondContact O-N 3.47Å; D92-N94 VanDerWaalsContact C-N 3.3Å; D92-N94 PolarHBondContact OD1-N 3.29Å; D92-N94 PolarHBondContact OD1-ND2 3.21Å; D92-K95 VanDerWaalsContact CG-CA 3.48Å; D92-K95 VanDerWaalsContact CG-N 3.32Å; D92-K95 WeakPolarHBondContact OD1-CA 3.41Å; D92-K95 PolarHBondContact OD1-N 3.02Å; D92-K95 VanDerWaalsContact OD2-C 3.26Å; D92-K95 WeakPolarHBondContact OD2-CA 3.43Å; D92-K95 PolarHBondContact OD2-N 3.08Å; D92-D96 PolarHBondContact OD1-N 3.17Å; D92-D96 PolarHBondContact OD2-N 3.38Å; D92-G97 VanDerWaalsContact OD2-CA 3.3Å; D92-G97 WeakPolarHBondContact OD2-CA 2.99Å; D92-G97 PolarHBondContact OD2-N 2.81Å
93	C	86.2	Confident	86.7	Confident	105 Å²	105	65.5 Å²	65.5	71%	0.709	33%	0.327	S	S	*	.	S	Bend	trans	-72.2	-29.1	177.4	-68.6	0	0	0	0	111.7	A91 E103	A91-C93 PolarHBondContact O-N 3Å; A91-C93 VanDerWaalsContact O-N 3.08Å; C93-E103 HydrophobicContact CB-CG 4.43Å; C93-E103 PolarHBondContact N-OE1 3.21Å
94	N	89.3	Confident	86.6	Confident	77 Å²	77	63 Å²	63	41%	0.412	32%	0.316	S	S	.	.	S	Bend	trans	-87	-15.1	-175.2	89	74	0	0	0	113	K62 D92 D96 E103	K62-N94 PolarHBondContact NZ-ND2 2.76Å; K62-N94 VanDerWaalsContact NZ-ND2 3.14Å; D92-N94 VanDerWaalsContact C-N 3.3Å; D92-N94 PolarHBondContact OD1-N 3.29Å; D92-N94 PolarHBondContact OD1-ND2 3.21Å; N94-D96 PolarHBondContact ND2-OD1 3.07Å; N94-D96 WeakPolarHBondContact OD1-CB 3.43Å; N94-D96 PolarHBondContact OD1-N 2.97Å; N94-D96 VanDerWaalsContact OD1-N 3.12Å; N94-D96 PolarHBondContact OD1-OD1 3.16Å; N94-D96 VanDerWaalsContact OD1-OD1 3.05Å; N94-E103 WeakPolarHBondContact CB-OE1 3.35Å; N94-E103 PolarHBondContact N-OE1 3.46Å; N94-E103 VanDerWaalsContact ND2-CD 3.3Å; N94-E103 PolarHBondContact ND2-OE1 2.99Å; N94-E103 PolarHBondContact ND2-OE2 2.82Å
95	K	84.9	Confident	86.5	Confident	176 Å²	176	65.1 Å²	65.1	77%	0.765	32%	0.324	S	S	*	.			trans	63.1	36.5	179.1	-57.4	-164.5	176.5	-157.7	0	114.6	D92 G97	D92-K95 VanDerWaalsContact CG-CA 3.48Å; D92-K95 VanDerWaalsContact CG-N 3.32Å; D92-K95 WeakPolarHBondContact OD1-CA 3.41Å; D92-K95 PolarHBondContact OD1-N 3.02Å; D92-K95 VanDerWaalsContact OD2-C 3.26Å; D92-K95 WeakPolarHBondContact OD2-CA 3.43Å; D92-K95 PolarHBondContact OD2-N 3.08Å; K95-G97 VanDerWaalsContact C-N 3.33Å
96	D	90	Very high	86.2	Confident	70 Å²	70	64 Å²	64	37%	0.374	32%	0.324	S	S	.	.	S	Bend	trans	-89.4	1.1	171.7	76.4	-34.7	0	0	0	114.2	K62 D92 N94 M98	K62-D96 VanDerWaalsContact CD-OD2 3.27Å; K62-D96 WeakPolarHBondContact CD-OD2 3.41Å; K62-D96 WeakPolarHBondContact CE-OD2 3.31Å; K62-D96 IonicContact NZ-OD1 3.16Å; K62-D96 PolarHBondContact NZ-OD1 2.96Å; K62-D96 VanDerWaalsContact NZ-OD1 3.15Å; K62-D96 IonicContact NZ-OD2 3.27Å; K62-D96 PolarHBondContact NZ-OD2 2.99Å; D92-D96 PolarHBondContact OD1-N 3.17Å; D92-D96 PolarHBondContact OD2-N 3.38Å; N94-D96 PolarHBondContact ND2-OD1 3.07Å; N94-D96 WeakPolarHBondContact OD1-CB 3.43Å; N94-D96 PolarHBondContact OD1-N 2.97Å; N94-D96 VanDerWaalsContact OD1-N 3.12Å; N94-D96 PolarHBondContact OD1-OD1 3.16Å; N94-D96 VanDerWaalsContact OD1-OD1 3.05Å; D96-M98 VanDerWaalsContact C-N 3.31Å; D96-M98 PolarHBondContact OD1-N 2.84Å
97	G	86	Confident	85.8	Confident	41 Å²	41	60 Å²	60	42%	0.423	31%	0.307	S	S	.	.	S	Bend	trans	78.6	14.5	-178.9	0	0	0	0	0	113.4	D92 K95	D92-G97 VanDerWaalsContact OD2-CA 3.3Å; D92-G97 WeakPolarHBondContact OD2-CA 2.99Å; D92-G97 PolarHBondContact OD2-N 2.81Å; K95-G97 VanDerWaalsContact C-N 3.33Å
98	M	87.9	Confident	85.4	Confident	78 Å²	78	60.3 Å²	60.3	38%	0.384	31%	0.308	S	S	.	.	S	Bend	trans	-140.9	149.1	-178.8	-54.9	-176.5	-175.7	0	0	109.9	K62 I63 T64 D96	K62-M98 HydrophobicContact CB-CB 3.54Å; K62-M98 HydrophobicContact CB-CG 4.42Å; K62-M98 HydrophobicContact CB-SD 4.15Å; K62-M98 HydrophobicContact CD-CB 3.69Å; K62-M98 HydrophobicContact CD-SD 4.43Å; K62-M98 HydrophobicContact CG-CB 4.29Å; I63-M98 WeakPolarHBondContact O-CA 3.29Å; T64-M98 HydrophobicContact CG2-CE 4.43Å; T64-M98 HydrophobicContact CG2-CG 4.42Å; T64-M98 HydrophobicContact CG2-SD 4.17Å; D96-M98 VanDerWaalsContact C-N 3.31Å; D96-M98 PolarHBondContact OD1-N 2.84Å
99	I	88.8	Confident	84.6	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.005	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-98	113.9	179.9	-50.2	167.8	0	0	0	108.6	K62 I63 L68 I88 A91 E103 F104	K62-I99 CarbonylContact C-O 3.59Å; I63-I99 HydrophobicContact CB-CB 4.14Å; I63-I99 PolarHBondContact N-O 3.17Å; I63-I99 PolarHBondContact O-N 2.95Å; L68-I99 HydrophobicContact CD1-CD1 4.23Å; I88-I99 HydrophobicContact CG1-CD1 4.44Å; I88-I99 HydrophobicContact CG2-CG1 4.45Å; A91-I99 HydrophobicContact CB-CD1 3.55Å; A91-I99 HydrophobicContact CB-CG1 3.81Å; A91-I99 HydrophobicContact CB-CG2 4.14Å; I99-E103 WeakPolarHBondContact CA-OE2 3.38Å; I99-E103 HydrophobicContact CG2-CB 3.72Å; I99-F104 HydrophobicContact CG2-CB 3.95Å
100	D	88.9	Confident	83.8	Confident	37 Å²	37	65.2 Å²	65.2	20%	0.198	33%	0.326	C	S	.	.			trans	-81.2	174.3	175	74.4	-129.4	0	0	0	113.4	K62 E102 E103 F104	K62-D100 HydrophobicContact CD-CB 3.87Å; K62-D100 HydrophobicContact CG-CB 3.89Å; K62-D100 IonicContact NZ-OD1 3.73Å; D100-E102 VanDerWaalsContact C-N 3.27Å; D100-E102 PolarHBondContact O-N 3.39Å; D100-E102 WeakPolarHBondContact OD2-CA 3.19Å; D100-E102 WeakPolarHBondContact OD2-CB 3.47Å; D100-E102 PolarHBondContact OD2-N 3.03Å; D100-E103 PolarHBondContact N-OE2 2.92Å; D100-E103 PolarHBondContact O-N 3.21Å; D100-E103 PolarHBondContact OD2-N 3.45Å; D100-E103 VanDerWaalsContact OD2-N 3.07Å; D100-F104 VanDerWaalsContact O-CB 3.3Å; D100-F104 WeakPolarHBondContact O-CB 3.2Å; D100-F104 PolarHBondContact O-N 2.94Å
101	Q	84.9	Confident	82.7	Confident	75 Å²	75	61.6 Å²	61.6	35%	0.35	31%	0.312	S	S	.	.	H	α-helix	trans	-58.8	-38.7	-177.6	-174.3	-169.4	1.9	0	0	112.7	M49 Y52 Y105	M49-Q101 HydrophobicContact CE-CG 4.41Å; M49-Q101 HydrophobicContact SD-CG 3.76Å; M49-Q101 PolarHBondContact SD-NE2 3.4Å; Y52-Q101 HydrophobicContact CE1-CB 4.28Å; Y52-Q101 HydrophobicContact CE2-CB 4.28Å; Y52-Q101 PolarHBondContact OH-N 3.46Å; Q101-Y105 VanDerWaalsContact O-CB 3.23Å; Q101-Y105 WeakPolarHBondContact O-CB 3.1Å; Q101-Y105 PolarHBondContact O-N 3.38Å
102	E	86.2	Confident	81.2	Confident	134 Å²	134	66.3 Å²	66.3	63%	0.626	34%	0.336	S	S	*	.	H	α-helix	trans	-74.2	-41.6	-178.7	-169	154.6	98.5	0	0	110.6	D100 Y105 Q106	D100-E102 VanDerWaalsContact C-N 3.27Å; D100-E102 PolarHBondContact O-N 3.39Å; D100-E102 WeakPolarHBondContact OD2-CA 3.19Å; D100-E102 WeakPolarHBondContact OD2-CB 3.47Å; D100-E102 PolarHBondContact OD2-N 3.03Å; E102-Y105 WeakPolarHBondContact O-CB 3.34Å; E102-Y105 PolarHBondContact O-N 3.17Å; E102-Q106 VanDerWaalsContact O-CG 3.3Å; E102-Q106 WeakPolarHBondContact O-CG 3.33Å; E102-Q106 PolarHBondContact O-N 2.93Å
103	E	87	Confident	79	Confident	11 Å²	11	71.5 Å²	71.5	5%	0.051	36%	0.363	C	S	.	.	H	α-helix	trans	-61.9	-47.3	174	-69.5	171.8	147.9	0	0	112	C93 N94 I99 D100 Y105 Q106 L107	C93-E103 HydrophobicContact CB-CG 4.43Å; C93-E103 PolarHBondContact N-OE1 3.21Å; N94-E103 WeakPolarHBondContact CB-OE1 3.35Å; N94-E103 PolarHBondContact N-OE1 3.46Å; N94-E103 VanDerWaalsContact ND2-CD 3.3Å; N94-E103 PolarHBondContact ND2-OE1 2.99Å; N94-E103 PolarHBondContact ND2-OE2 2.82Å; I99-E103 WeakPolarHBondContact CA-OE2 3.38Å; I99-E103 HydrophobicContact CG2-CB 3.72Å; D100-E103 PolarHBondContact N-OE2 2.92Å; D100-E103 PolarHBondContact O-N 3.21Å; D100-E103 PolarHBondContact OD2-N 3.45Å; D100-E103 VanDerWaalsContact OD2-N 3.07Å; E103-Y105 VanDerWaalsContact C-N 3.28Å; E103-Y105 PolarHBondContact O-N 3.49Å; E103-Q106 PolarHBondContact O-N 3.39Å; E103-L107 WeakPolarHBondContact O-CB 3.46Å; E103-L107 PolarHBondContact O-N 2.84Å
104	F	83.8	Confident	76.7	Confident	4 Å²	4	80.7 Å²	80.7	2%	0.018	39%	0.385	C	S	.	.	H	α-helix	trans	-59.7	-42.5	173.3	-170.8	-99.1	0	0	0	110.4	I48 A51 Y52 F55 I63 I99 D100 Q106 L107 M108	I48-F104 HydrophobicContact CG2-CD1 3.8Å; I48-F104 HydrophobicContact CG2-CE1 4.02Å; A51-F104 HydrophobicContact CB-CE1 3.88Å; A51-F104 HydrophobicContact CB-CZ 4.1Å; Y52-F104 HydrophobicContact CD2-CB 3.72Å; Y52-F104 AromaticContact CD2-CD1 3.95Å; Y52-F104 HydrophobicContact CD2-CD1 3.95Å; Y52-F104 HydrophobicContact CD2-CD2 4.47Å; Y52-F104 AromaticContact CD2-CG 3.8Å; Y52-F104 HydrophobicContact CD2-CG 3.8Å; Y52-F104 HydrophobicContact CE2-CB 4.15Å; Y52-F104 HydrophobicContact CG-CD1 4.43Å; F55-F104 AromaticContact CD2-CE2 3.93Å; F55-F104 HydrophobicContact CD2-CE2 3.93Å; F55-F104 AromaticContact CD2-CZ 3.76Å; F55-F104 HydrophobicContact CD2-CZ 3.76Å; F55-F104 HydrophobicContact CE2-CE2 4.24Å; F55-F104 AromaticContact CE2-CZ 3.97Å; F55-F104 HydrophobicContact CE2-CZ 3.97Å; F55-F104 HydrophobicContact CG-CE2 4.42Å; I63-F104 HydrophobicContact CD1-CB 4.41Å; I63-F104 HydrophobicContact CD1-CD2 3.34Å; I63-F104 HydrophobicContact CD1-CE2 3.7Å; I63-F104 HydrophobicContact CD1-CG 3.97Å; I99-F104 HydrophobicContact CG2-CB 3.95Å; D100-F104 VanDerWaalsContact O-CB 3.3Å; D100-F104 WeakPolarHBondContact O-CB 3.2Å; D100-F104 PolarHBondContact O-N 2.94Å; F104-Q106 PolarHBondContact O-N 3.21Å; F104-L107 WeakPolarHBondContact O-CB 3.35Å; F104-L107 PolarHBondContact O-N 3.19Å; F104-M108 HydrophobicContact CD1-CG 3.81Å; F104-M108 HydrophobicContact CD1-SD 4.22Å; F104-M108 HydrophobicContact CE1-CE 4.06Å; F104-M108 HydrophobicContact CE1-CG 3.64Å; F104-M108 HydrophobicContact CE1-SD 3.47Å; F104-M108 WeakPolarHBondContact CE1-SD 3.48Å; F104-M108 HydrophobicContact CE2-SD 4.01Å; F104-M108 HydrophobicContact CG-CG 4.35Å; F104-M108 HydrophobicContact CZ-CE 4.22Å; F104-M108 HydrophobicContact CZ-CG 4.06Å; F104-M108 HydrophobicContact CZ-SD 3.36Å; F104-M108 WeakPolarHBondContact CZ-SD 3.46Å; F104-M108 WeakPolarHBondContact O-CG 3.48Å; F104-M108 PolarHBondContact O-N 2.9Å
105	Y	83	Confident	76.1	Confident	45 Å²	45	80.9 Å²	80.9	18%	0.176	38%	0.383	C	S	.	.	H	α-helix	trans	-62.8	-39.1	176.2	179.4	-98.9	0	0	0	113.4	R45 I48 Q101 E102 E103 K109	R45-Y105 HydrophobicContact CB-CE2 4.23Å; R45-Y105 HydrophobicContact CG-CE2 4.28Å; I48-Y105 HydrophobicContact CB-CD2 4.22Å; I48-Y105 HydrophobicContact CD1-CD2 3.49Å; I48-Y105 VanDerWaalsContact CD1-CD2 3.49Å; I48-Y105 HydrophobicContact CD1-CE2 3.55Å; I48-Y105 HydrophobicContact CG1-CD2 4.43Å; I48-Y105 HydrophobicContact CG2-CD2 3.87Å; Q101-Y105 VanDerWaalsContact O-CB 3.23Å; Q101-Y105 WeakPolarHBondContact O-CB 3.1Å; Q101-Y105 PolarHBondContact O-N 3.38Å; E102-Y105 WeakPolarHBondContact O-CB 3.34Å; E102-Y105 PolarHBondContact O-N 3.17Å; E103-Y105 VanDerWaalsContact C-N 3.28Å; E103-Y105 PolarHBondContact O-N 3.49Å; Y105-K109 HydrophobicContact CD1-CD 4.33Å; Y105-K109 HydrophobicContact CE1-CD 3.6Å; Y105-K109 HydrophobicContact CE1-CG 4.24Å; Y105-K109 WeakPolarHBondContact O-CB 3.44Å; Y105-K109 PolarHBondContact O-N 3.23Å; Y105-K109 WeakPolarHBondContact OH-CE 3.41Å; Y105-K109 PolarHBondContact OH-NZ 3.48Å
106	Q	81.7	Confident	75.6	Confident	109 Å²	109	75.8 Å²	75.8	51%	0.509	36%	0.363	S	S	.	.	H	α-helix	trans	-66.1	-44	175.4	-69.2	-66.6	-6.9	0	0	111.5	E102 E103 F104 M108 K109 K110	E102-Q106 VanDerWaalsContact O-CG 3.3Å; E102-Q106 WeakPolarHBondContact O-CG 3.33Å; E102-Q106 PolarHBondContact O-N 2.93Å; E103-Q106 PolarHBondContact O-N 3.39Å; F104-Q106 PolarHBondContact O-N 3.21Å; Q106-M108 PolarHBondContact O-N 3.16Å; Q106-K109 PolarHBondContact O-N 3.33Å; Q106-K110 WeakPolarHBondContact O-CB 3.43Å; Q106-K110 PolarHBondContact O-N 3.5Å
107	L	78.5	Confident	74.8	Confident	23 Å²	23	76.2 Å²	76.2	12%	0.12	36%	0.363	C	S	.	.	H	α-helix	trans	-56.1	-52.6	176	-178.5	73.8	0	0	0	110.8	L32 A91 E103 F104 K109 K110 T111	L32-L107 HydrophobicContact CB-CD1 4.27Å; L32-L107 HydrophobicContact CB-CD2 4.02Å; L32-L107 HydrophobicContact CB-CG 4.42Å; L32-L107 HydrophobicContact CD1-CD1 3.75Å; L32-L107 HydrophobicContact CD1-CD2 3.83Å; L32-L107 HydrophobicContact CD1-CG 4.38Å; L32-L107 HydrophobicContact CD2-CD2 3.88Å; L32-L107 HydrophobicContact CG-CD2 4.1Å; A91-L107 HydrophobicContact CB-CD1 4.3Å; A91-L107 HydrophobicContact CB-CD2 4.17Å; E103-L107 WeakPolarHBondContact O-CB 3.46Å; E103-L107 PolarHBondContact O-N 2.84Å; F104-L107 WeakPolarHBondContact O-CB 3.35Å; F104-L107 PolarHBondContact O-N 3.19Å; L107-K109 VanDerWaalsContact C-N 3.25Å; L107-K109 PolarHBondContact O-N 2.91Å; L107-K110 WeakPolarHBondContact O-CB 3.5Å; L107-K110 PolarHBondContact O-N 3.18Å; L107-T111 PolarHBondContact O-N 3.44Å; L107-T111 VanDerWaalsContact O-N 3.16Å; L107-T111 PolarHBondContact O-OG1 3.38Å
108	M	74.2	Confident	74.2	Confident	5 Å²	5	78.2 Å²	78.2	3%	0.025	36%	0.359	C	S	.	.	H	α-helix	trans	-63.5	-33.9	-179.6	-55.6	-82.2	-61.7	0	0	111.9	A36 A40 I48 A51 F104 Q106 N112	A36-M108 WeakPolarHBondContact CA-SD 3.43Å; A36-M108 HydrophobicContact CB-CB 4.35Å; A36-M108 HydrophobicContact CB-CE 3.86Å; A36-M108 HydrophobicContact CB-CG 4.31Å; A36-M108 HydrophobicContact CB-SD 3.32Å; A36-M108 WeakPolarHBondContact CB-SD 3.49Å; A36-M108 WeakPolarHBondContact O-CE 3.42Å; A40-M108 HydrophobicContact CB-CE 3.29Å; I48-M108 HydrophobicContact CD1-CB 4.05Å; I48-M108 HydrophobicContact CG1-CB 4.09Å; I48-M108 HydrophobicContact CG1-CE 4.18Å; I48-M108 HydrophobicContact CG1-CG 4.4Å; I48-M108 HydrophobicContact CG2-CB 4.34Å; I48-M108 HydrophobicContact CG2-CG 3.99Å; A51-M108 HydrophobicContact CB-CE 4.42Å; F104-M108 HydrophobicContact CD1-CG 3.81Å; F104-M108 HydrophobicContact CD1-SD 4.22Å; F104-M108 HydrophobicContact CE1-CE 4.06Å; F104-M108 HydrophobicContact CE1-CG 3.64Å; F104-M108 HydrophobicContact CE1-SD 3.47Å; F104-M108 WeakPolarHBondContact CE1-SD 3.48Å; F104-M108 HydrophobicContact CE2-SD 4.01Å; F104-M108 HydrophobicContact CG-CG 4.35Å; F104-M108 HydrophobicContact CZ-CE 4.22Å; F104-M108 HydrophobicContact CZ-CG 4.06Å; F104-M108 HydrophobicContact CZ-SD 3.36Å; F104-M108 WeakPolarHBondContact CZ-SD 3.46Å; F104-M108 WeakPolarHBondContact O-CG 3.48Å; F104-M108 PolarHBondContact O-N 2.9Å; Q106-M108 PolarHBondContact O-N 3.16Å; M108-N112 PolarHBondContact O-N 3.45Å
109	K	71.4	Confident	73.3	Confident	102 Å²	102	78.3 Å²	78.3	44%	0.443	36%	0.357	S	S	.	.	H	α-helix	trans	-69.5	-34.6	174.1	-96.7	-165.2	158	172.3	0	113	Y105 Q106 L107 N112 I113	Y105-K109 HydrophobicContact CD1-CD 4.33Å; Y105-K109 HydrophobicContact CE1-CD 3.6Å; Y105-K109 HydrophobicContact CE1-CG 4.24Å; Y105-K109 WeakPolarHBondContact O-CB 3.44Å; Y105-K109 PolarHBondContact O-N 3.23Å; Y105-K109 WeakPolarHBondContact OH-CE 3.41Å; Y105-K109 PolarHBondContact OH-NZ 3.48Å; Q106-K109 PolarHBondContact O-N 3.33Å; L107-K109 VanDerWaalsContact C-N 3.25Å; L107-K109 PolarHBondContact O-N 2.91Å; K109-N112 PolarHBondContact O-N 3.06Å; K109-I113 WeakPolarHBondContact O-CG1 3.48Å
110	K	69	Low	72.3	Confident	154 Å²	154	83.4 Å²	83.4	67%	0.67	38%	0.381	S	S	*	.	H	α-helix	trans	-69.8	-38.7	-179	-168.5	-177	177	-167.4	0	111.3	Q106 L107	Q106-K110 WeakPolarHBondContact O-CB 3.43Å; Q106-K110 PolarHBondContact O-N 3.5Å; L107-K110 WeakPolarHBondContact O-CB 3.5Å; L107-K110 PolarHBondContact O-N 3.18Å
111	T	62.5	Low	71.1	Confident	32 Å²	32	86.7 Å²	86.7	20%	0.196	39%	0.394	C	S	.	.	H	α-helix	trans	-63.9	-39	174	-49.1	0	0	0	0	112.3	F20 D33 A36 L107 I113	F20-T111 HydrophobicContact CE1-CG2 4.36Å; F20-T111 HydrophobicContact CZ-CG2 4.49Å; D33-T111 HydrophobicContact CB-CG2 3.59Å; D33-T111 VanDerWaalsContact OD1-CB 3.24Å; D33-T111 WeakPolarHBondContact OD1-CB 3.4Å; D33-T111 WeakPolarHBondContact OD1-CG2 3.46Å; D33-T111 PolarHBondContact OD1-OG1 2.75Å; A36-T111 HydrophobicContact CB-CG2 4.16Å; L107-T111 PolarHBondContact O-N 3.44Å; L107-T111 VanDerWaalsContact O-N 3.16Å; L107-T111 PolarHBondContact O-OG1 3.38Å; T111-I113 PolarHBondContact O-N 2.69Å; T111-I113 VanDerWaalsContact O-N 3.14Å
112	N	52.6	Low	70	Confident	104 Å²	104	87.6 Å²	87.6	56%	0.556	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	15.8	-174.5	-152.6	37.6	0	0	0	114.2	M108 K109	M108-N112 PolarHBondContact O-N 3.45Å; K109-N112 PolarHBondContact O-N 3.06Å
113	I	42.7	Very low	68.7	Low	119 Å²	119	83.8 Å²	83.8	61%	0.61	38%	0.378	S	S	*	.			trans	-98.4	95.1	179	-42.2	-175	0	0	0	109.5	K109 T111	K109-I113 WeakPolarHBondContact O-CG1 3.48Å; T111-I113 PolarHBondContact O-N 2.69Å; T111-I113 VanDerWaalsContact O-N 3.14Å
114	Y	37.7	Very low	67	Low	297 Å²	297	90.4 Å²	90.4	100%	1.165	41%	0.408	S	S	*	.			trans	28.1	0	149.8	-67.2	-84.5	0	0	0	120.1

Retrieved 114 of 114 residues in 322.7 ms (Link to these results)

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