A0A077Z882_TRITR Loading...

Ga isoform

AlphaFold DB , UniProt , Accession A0A077Z882, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 125 aa.

						>A0A077Z882_TRITR|A0A077Z882
MNEEIATGSNDLDNDYYAILGCDETSSTEQIIAEYRVRALRLHPDKTGNTRKWYHSWEQMNMIIVADAHFAALSQAKEVLSDPEKRKAYNAWRRCPTFMSFEEWLLRKDFIGMVNDLLCSFFVYA
					

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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	46.9	Very low	46.7	Very low	224 Å²	224	133.6 Å²	133.6	100%	1.103	75%	0.745	S	S	*	*				0	116	0	-72.2	78.5	173.1	0	0	106.8	E3	M1-E3 PolarHBondContact O-N 3.21Å; M1-E3 VanDerWaalsContact O-N 3.09Å
2	N	46.2	Very low	47.1	Very low	170 Å²	170	129.8 Å²	129.8	91%	0.909	72%	0.721	S	S	*	*			trans	-77.2	88.1	164.4	-66.9	-17.5	0	0	0	105.1	E4	N2-E4 VanDerWaalsContact C-N 3.34Å; N2-E4 PolarHBondContact O-N 3.33Å
3	E	44.2	Very low	48.1	Very low	170 Å²	170	127.9 Å²	127.9	79%	0.794	71%	0.709	S	S	*	*			trans	-77.9	99.8	167.5	-161.2	151.4	-158.1	0	0	104.8	M1 I5	M1-E3 PolarHBondContact O-N 3.21Å; M1-E3 VanDerWaalsContact O-N 3.09Å; E3-I5 VanDerWaalsContact C-N 3.31Å; E3-I5 PolarHBondContact O-N 2.88Å
4	E	47.5	Very low	49.5	Very low	178 Å²	178	126.5 Å²	126.5	83%	0.832	70%	0.699	S	S	*	*			trans	-47.9	103.6	164.4	-77.4	179.3	148.5	0	0	106.4	N2 A6	N2-E4 VanDerWaalsContact C-N 3.34Å; N2-E4 PolarHBondContact O-N 3.33Å; E4-A6 PolarHBondContact O-N 2.63Å
5	I	47.7	Very low	51.8	Low	143 Å²	143	120.7 Å²	120.7	73%	0.733	67%	0.667	S	S	*	*			trans	-59.7	98.2	159.8	-60.1	-72.3	0	0	0	102.8	E3 T7	E3-I5 VanDerWaalsContact C-N 3.31Å; E3-I5 PolarHBondContact O-N 2.88Å; I5-T7 HydrophobicContact CG2-CG2 4.47Å; I5-T7 PolarHBondContact O-N 2.89Å
6	A	46.5	Very low	54	Low	79 Å²	79	114.3 Å²	114.3	65%	0.653	63%	0.63	S	S	*	*			trans	-55.8	93.3	167.7	0	0	0	0	0	105.7	E4 G8	E4-A6 PolarHBondContact O-N 2.63Å; A6-G8 PolarHBondContact O-N 3.16Å
7	T	43.5	Very low	56	Low	130 Å²	130	108.1 Å²	108.1	80%	0.798	60%	0.595	S	S	*	*			trans	-67.6	66.3	167.7	51.6	0	0	0	0	107.1	I5	I5-T7 HydrophobicContact CG2-CG2 4.47Å; I5-T7 PolarHBondContact O-N 2.89Å
8	G	45.3	Very low	57.7	Low	45 Å²	45	104.1 Å²	104.1	46%	0.464	58%	0.578	S	S	.	*			trans	-117	8.5	168.9	0	0	0	0	0	111.9	A6	A6-G8 PolarHBondContact O-N 3.16Å
9	S	46.9	Very low	59.2	Low	82 Å²	82	99.7 Å²	99.7	57%	0.573	55%	0.553	S	S	*	*	S	Bend	trans	-105.9	-5.3	-169.6	-52	0	0	0	0	115.1
10	N	49.9	Very low	60.5	Low	133 Å²	133	94.8 Å²	94.8	71%	0.711	53%	0.526	S	S	*	.	S	Bend	trans	-94.9	-17.4	175.9	-85.4	-27.5	0	0	0	113.4	L12	N10-L12 PolarHBondContact O-N 3.21Å
11	D	49.3	Very low	61.7	Low	116 Å²	116	92.5 Å²	92.5	62%	0.62	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-75.5	-16.7	174.6	-61.3	-58.4	0	0	0	112.3	D13 N14 D15	D11-D13 PolarHBondContact O-N 2.99Å; D11-N14 PolarHBondContact O-N 3.38Å; D11-D15 PolarHBondContact O-N 2.99Å; D11-D15 VanDerWaalsContact O-N 3.1Å
12	L	51.7	Low	63.5	Low	88 Å²	88	82.3 Å²	82.3	46%	0.461	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-61.3	-29.5	177.7	-62.9	178	0	0	0	112.6	N10 N14 A18 I19	N10-L12 PolarHBondContact O-N 3.21Å; L12-N14 VanDerWaalsContact C-N 3.29Å; L12-N14 PolarHBondContact O-N 3.47Å; L12-A18 HydrophobicContact CD2-CB 3.71Å; L12-I19 WeakPolarHBondContact O-CG1 3.25Å
13	D	59.2	Low	65.4	Low	105 Å²	105	78.6 Å²	78.6	56%	0.561	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-76.9	-17.8	-178.3	-72.6	-17.9	0	0	0	112.8	D11	D11-D13 PolarHBondContact O-N 2.99Å
14	N	68.4	Low	67.1	Low	108 Å²	108	74.6 Å²	74.6	58%	0.578	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	-20.2	-175.2	-65	-71.8	0	0	0	113.7	D11 L12 Y89	D11-N14 PolarHBondContact O-N 3.38Å; L12-N14 VanDerWaalsContact C-N 3.29Å; L12-N14 PolarHBondContact O-N 3.47Å; N14-Y89 PolarHBondContact O-OH 3.29Å
15	D	83.8	Confident	68.9	Low	39 Å²	39	71.8 Å²	71.8	21%	0.209	43%	0.431	C	S	.	.			trans	-90.1	108.3	178	-161.9	-21.3	0	0	0	112.1	D11 Y17 A18 I19 Y89 R93	D11-D15 PolarHBondContact O-N 2.99Å; D11-D15 VanDerWaalsContact O-N 3.1Å; D15-Y17 PolarHBondContact O-N 3.16Å; D15-Y17 WeakPolarHBondContact OD1-CB 3.38Å; D15-Y17 VanDerWaalsContact OD1-CD2 3.28Å; D15-Y17 WeakPolarHBondContact OD1-CD2 3.47Å; D15-Y17 PolarHBondContact OD1-N 2.9Å; D15-A18 HydrophobicContact CB-CB 3.98Å; D15-A18 WeakPolarHBondContact O-CB 3.25Å; D15-A18 PolarHBondContact O-N 3.41Å; D15-I19 VanDerWaalsContact O-CG1 3.26Å; D15-I19 WeakPolarHBondContact O-CG1 3.39Å; D15-I19 PolarHBondContact O-N 3.32Å; D15-Y89 WeakPolarHBondContact CA-OH 3.43Å; D15-Y89 PolarHBondContact OD1-OH 2.75Å; D15-R93 IonicContact OD2-NH2 2.76Å
16	Y	86.3	Confident	70.7	Confident	19 Å²	19	65.8 Å²	65.8	8%	0.075	40%	0.402	C	S	.	.	H	α-helix	trans	-58.8	-31	177.7	-64.9	-46.1	0	0	0	113.1	I19 L20 Q75 A76 V79 Y89 F101	Y16-I19 HydrophobicContact CD1-CD1 4.09Å; Y16-I19 PolarHBondContact O-N 3.04Å; Y16-L20 WeakPolarHBondContact O-CB 3.34Å; Y16-L20 PolarHBondContact O-N 3.42Å; Y16-Q75 HydrophobicContact CE1-CB 4.21Å; Y16-A76 HydrophobicContact CD1-CB 3.48Å; Y16-A76 VanDerWaalsContact CD1-CB 3.48Å; Y16-A76 HydrophobicContact CE1-CB 4.41Å; Y16-A76 HydrophobicContact CG-CB 3.91Å; Y16-V79 HydrophobicContact CD2-CB 4.14Å; Y16-V79 HydrophobicContact CD2-CG1 3.91Å; Y16-V79 HydrophobicContact CD2-CG2 4.44Å; Y16-V79 HydrophobicContact CE2-CB 4.15Å; Y16-V79 HydrophobicContact CE2-CG1 3.97Å; Y16-V79 HydrophobicContact CE2-CG2 3.96Å; Y16-Y89 HydrophobicContact CD2-CD1 4.24Å; Y16-Y89 AromaticContact CD2-CD2 3.52Å; Y16-Y89 HydrophobicContact CD2-CD2 3.52Å; Y16-Y89 AromaticContact CD2-CE1 3.94Å; Y16-Y89 HydrophobicContact CD2-CE1 3.94Å; Y16-Y89 AromaticContact CD2-CE2 3.2Å; Y16-Y89 HydrophobicContact CD2-CE2 3.2Å; Y16-Y89 HydrophobicContact CD2-CG 4.03Å; Y16-Y89 AromaticContact CD2-CZ 3.42Å; Y16-Y89 VanDerWaalsContact CD2-CZ 3.42Å; Y16-Y89 AromaticContact CE2-CD2 3.57Å; Y16-Y89 HydrophobicContact CE2-CD2 3.57Å; Y16-Y89 AromaticContact CE2-CE2 3.38Å; Y16-Y89 HydrophobicContact CE2-CE2 3.38Å; Y16-Y89 HydrophobicContact CE2-CG 4.42Å; Y16-Y89 HydrophobicContact CG-CE2 4.23Å; Y16-Y89 PolarHBondContact N-OH 3.47Å; Y16-Y89 VanDerWaalsContact N-OH 3.14Å; Y16-F101 HydrophobicContact CD2-CD1 4.49Å; Y16-F101 HydrophobicContact CE2-CB 4.14Å; Y16-F101 AromaticContact CE2-CD1 3.38Å; Y16-F101 HydrophobicContact CE2-CD1 3.38Å; Y16-F101 HydrophobicContact CE2-CE1 4.05Å; Y16-F101 AromaticContact CE2-CG 3.93Å; Y16-F101 HydrophobicContact CE2-CG 3.93Å; Y16-F101 AromaticContact CZ-CD1 3.9Å
17	Y	88.7	Confident	72.7	Confident	9 Å²	9	64.3 Å²	64.3	4%	0.035	39%	0.387	C	S	.	.	H	α-helix	trans	-65.3	-43.3	175.4	-65.8	-67.9	0	0	0	110.6	D15 G21 C22 E24 L80 Y89 N90	D15-Y17 PolarHBondContact O-N 3.16Å; D15-Y17 WeakPolarHBondContact OD1-CB 3.38Å; D15-Y17 VanDerWaalsContact OD1-CD2 3.28Å; D15-Y17 WeakPolarHBondContact OD1-CD2 3.47Å; D15-Y17 PolarHBondContact OD1-N 2.9Å; Y17-G21 CarbonylContact O-C 3.54Å; Y17-G21 WeakPolarHBondContact O-CA 3Å; Y17-G21 PolarHBondContact O-N 3.46Å; Y17-C22 CarbonylContact C-O 3.5Å; Y17-C22 WeakPolarHBondContact CA-O 3.48Å; Y17-C22 VanDerWaalsContact CB-O 3.23Å; Y17-C22 WeakPolarHBondContact CB-O 3.44Å; Y17-C22 PolarHBondContact O-N 3.34Å; Y17-E24 HydrophobicContact CD1-CG 4.24Å; Y17-E24 HydrophobicContact CD2-CG 3.82Å; Y17-E24 HydrophobicContact CE1-CB 4.3Å; Y17-E24 HydrophobicContact CE1-CG 4.07Å; Y17-E24 HydrophobicContact CE2-CG 3.62Å; Y17-E24 HydrophobicContact CG-CG 4.13Å; Y17-L80 HydrophobicContact CD1-CD1 3.66Å; Y17-L80 HydrophobicContact CD1-CD2 4.3Å; Y17-L80 HydrophobicContact CE1-CD1 3.71Å; Y17-L80 HydrophobicContact CE1-CD2 3.59Å; Y17-L80 HydrophobicContact CE1-CG 4.32Å; Y17-L80 HydrophobicContact CE2-CD2 4.26Å; Y17-L80 HydrophobicContact CG-CD1 4.33Å; Y17-Y89 AromaticContact CD2-CE1 3.86Å; Y17-Y89 HydrophobicContact CD2-CE1 3.86Å; Y17-Y89 AromaticContact CE2-CD1 3.82Å; Y17-Y89 HydrophobicContact CE2-CD1 3.82Å; Y17-Y89 AromaticContact CE2-CE1 3.57Å; Y17-Y89 HydrophobicContact CE2-CE1 3.57Å; Y17-N90 PolarHBondContact OH-OD1 3.49Å; Y17-N90 VanDerWaalsContact OH-OD1 3.13Å
18	A	86.7	Confident	74.9	Confident	36 Å²	36	60.8 Å²	60.8	30%	0.298	37%	0.365	S	S	.	.	H	α-helix	trans	-68.3	-40.9	175.9	0	0	0	0	0	112.5	L12 D15 L20 G21	L12-A18 HydrophobicContact CD2-CB 3.71Å; D15-A18 HydrophobicContact CB-CB 3.98Å; D15-A18 WeakPolarHBondContact O-CB 3.25Å; D15-A18 PolarHBondContact O-N 3.41Å; A18-L20 VanDerWaalsContact C-N 3.31Å; A18-L20 PolarHBondContact O-N 3.03Å; A18-G21 PolarHBondContact O-N 2.99Å
19	I	86.6	Confident	77	Confident	21 Å²	21	66.3 Å²	66.3	11%	0.108	38%	0.379	C	S	.	.	H	α-helix	trans	-62.6	-36.5	179.1	-64.4	165.8	0	0	0	111.6	L12 D15 Y16 R38 A72 L73 A76	L12-I19 WeakPolarHBondContact O-CG1 3.25Å; D15-I19 VanDerWaalsContact O-CG1 3.26Å; D15-I19 WeakPolarHBondContact O-CG1 3.39Å; D15-I19 PolarHBondContact O-N 3.32Å; Y16-I19 HydrophobicContact CD1-CD1 4.09Å; Y16-I19 PolarHBondContact O-N 3.04Å; I19-R38 VanDerWaalsContact C-NH1 3.34Å; I19-R38 PolarHBondContact O-NH1 2.96Å; I19-A72 HydrophobicContact CD1-CB 4.28Å; I19-A72 HydrophobicContact CG2-CB 4.16Å; I19-L73 HydrophobicContact CG2-CD2 3.95Å; I19-L73 HydrophobicContact CG2-CG 4.05Å; I19-L73 WeakPolarHBondContact O-CD2 3.46Å; I19-A76 HydrophobicContact CB-CB 4.38Å; I19-A76 HydrophobicContact CG2-CB 4.17Å
20	L	85.8	Confident	79.1	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-87.1	-16.4	172.2	-78.3	155.7	0	0	0	113.1	Y16 A18 C22 I31 R38 L73 A76 L80	Y16-L20 WeakPolarHBondContact O-CB 3.34Å; Y16-L20 PolarHBondContact O-N 3.42Å; A18-L20 VanDerWaalsContact C-N 3.31Å; A18-L20 PolarHBondContact O-N 3.03Å; L20-C22 HydrophobicContact CB-CB 4.28Å; L20-C22 VanDerWaalsContact CB-SG 3.53Å; L20-C22 PolarHBondContact O-N 3.49Å; L20-I31 HydrophobicContact CD1-CG2 3.91Å; L20-R38 PolarHBondContact O-NE 2.85Å; L20-R38 PolarHBondContact O-NH1 3.1Å; L20-R38 PolarHBondContact O-NH2 2.85Å; L20-R38 VanDerWaalsContact O-NH2 3.11Å; L20-L73 HydrophobicContact CD2-CD2 4.34Å; L20-A76 HydrophobicContact CD1-CB 3.51Å; L20-A76 HydrophobicContact CG-CB 3.8Å; L20-L80 HydrophobicContact CD1-CD1 3.63Å; L20-L80 HydrophobicContact CD1-CG 4.41Å
21	G	83.7	Confident	81	Confident	47 Å²	47	61.1 Å²	61.1	49%	0.485	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	31.6	-168.8	0	0	0	0	0	112.9	Y17 A18 R38	Y17-G21 CarbonylContact O-C 3.54Å; Y17-G21 WeakPolarHBondContact O-CA 3Å; Y17-G21 PolarHBondContact O-N 3.46Å; A18-G21 PolarHBondContact O-N 2.99Å; G21-R38 VanDerWaalsContact CA-NH2 3.25Å
22	C	86.1	Confident	83	Confident	11 Å²	11	57.8 Å²	57.8	7%	0.074	32%	0.323	C	S	.	.			trans	-103.4	148.5	172.9	64.9	0	0	0	0	108.7	Y17 L20 S26 I31	Y17-C22 CarbonylContact C-O 3.5Å; Y17-C22 WeakPolarHBondContact CA-O 3.48Å; Y17-C22 VanDerWaalsContact CB-O 3.23Å; Y17-C22 WeakPolarHBondContact CB-O 3.44Å; Y17-C22 PolarHBondContact O-N 3.34Å; L20-C22 HydrophobicContact CB-CB 4.28Å; L20-C22 VanDerWaalsContact CB-SG 3.53Å; L20-C22 PolarHBondContact O-N 3.49Å; C22-S26 WeakPolarHBondContact CB-OG 3.5Å; C22-I31 HydrophobicContact CB-CG1 4.32Å
23	D	84.9	Confident	84.8	Confident	91 Å²	91	55.9 Å²	55.9	49%	0.487	32%	0.32	S	S	.	.			trans	-82.7	162.6	173.7	-176.3	50.8	0	0	0	112.1	T25 S26	D23-T25 PolarHBondContact O-N 2.99Å; D23-T25 WeakPolarHBondContact OD2-CB 3.42Å; D23-T25 WeakPolarHBondContact OD2-CG2 3.44Å; D23-T25 PolarHBondContact OD2-N 3.4Å; D23-T25 VanDerWaalsContact OD2-N 3.1Å; D23-T25 PolarHBondContact OD2-OG1 3.03Å; D23-S26 PolarHBondContact N-OG 2.6Å; D23-S26 WeakPolarHBondContact O-CB 3.43Å; D23-S26 PolarHBondContact O-N 2.91Å; D23-S26 PolarHBondContact O-OG 3.13Å
24	E	81.4	Confident	86.3	Confident	87 Å²	87	54.6 Å²	54.6	41%	0.407	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-15.1	171.8	-66.3	-171.6	-158.9	0	0	113.9	Y17 R86 R93	Y17-E24 HydrophobicContact CD1-CG 4.24Å; Y17-E24 HydrophobicContact CD2-CG 3.82Å; Y17-E24 HydrophobicContact CE1-CB 4.3Å; Y17-E24 HydrophobicContact CE1-CG 4.07Å; Y17-E24 HydrophobicContact CE2-CG 3.62Å; Y17-E24 HydrophobicContact CG-CG 4.13Å; E24-R86 PolarHBondContact O-NH2 2.88Å; E24-R93 IonicContact OE1-CZ 3.47Å; E24-R93 IonicContact OE1-NH1 3.8Å; E24-R93 PolarHBondContact OE1-NH1 2.8Å; E24-R93 IonicContact OE1-NH2 2.65Å; E24-R93 PolarHBondContact OE1-NH2 2.91Å; E24-R93 IonicContact OE2-NH1 3.49Å
25	T	83.7	Confident	87.3	Confident	119 Å²	119	51.5 Å²	51.5	73%	0.73	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-5.9	174.6	60.7	0	0	0	0	113.8	D23	D23-T25 PolarHBondContact O-N 2.99Å; D23-T25 WeakPolarHBondContact OD2-CB 3.42Å; D23-T25 WeakPolarHBondContact OD2-CG2 3.44Å; D23-T25 PolarHBondContact OD2-N 3.4Å; D23-T25 VanDerWaalsContact OD2-N 3.1Å; D23-T25 PolarHBondContact OD2-OG1 3.03Å
26	S	86	Confident	87.6	Confident	16 Å²	16	57.5 Å²	57.5	11%	0.112	31%	0.311	C	S	.	.			trans	-65.4	141.4	-176.2	-52.1	0	0	0	0	111.8	C22 D23 R86	C22-S26 WeakPolarHBondContact CB-OG 3.5Å; D23-S26 PolarHBondContact N-OG 2.6Å; D23-S26 WeakPolarHBondContact O-CB 3.43Å; D23-S26 PolarHBondContact O-N 2.91Å; D23-S26 PolarHBondContact O-OG 3.13Å; S26-R86 PolarHBondContact O-NH1 3.42Å; S26-R86 PolarHBondContact O-NH2 3.06Å
27	S	89.2	Confident	87.7	Confident	48 Å²	48	59.6 Å²	59.6	34%	0.336	33%	0.326	S	S	.	.			trans	-72	154.6	173.9	61.9	0	0	0	0	111.6	E29 Q30 I31	S27-E29 PolarHBondContact O-N 2.92Å; S27-Q30 PolarHBondContact O-N 2.76Å; S27-Q30 VanDerWaalsContact O-N 3.1Å; S27-Q30 VanDerWaalsContact OG-CG 3.25Å; S27-Q30 WeakPolarHBondContact OG-CG 3.47Å; S27-Q30 PolarHBondContact OG-N 3.1Å; S27-Q30 PolarHBondContact OG-OE1 2.87Å; S27-I31 PolarHBondContact O-N 2.98Å
28	T	88.9	Confident	87.5	Confident	57 Å²	57	62.8 Å²	62.8	35%	0.35	34%	0.338	S	S	.	.	H	α-helix	trans	-54.6	-36.4	175	-59.6	0	0	0	0	112	I31 I32 S81	T28-I31 PolarHBondContact O-N 3.14Å; T28-I32 HydrophobicContact CG2-CD1 3.92Å; T28-I32 WeakPolarHBondContact O-CD1 3.31Å; T28-I32 VanDerWaalsContact O-CG1 3.25Å; T28-I32 WeakPolarHBondContact O-CG1 3.28Å; T28-I32 PolarHBondContact O-N 3.32Å; T28-S81 WeakPolarHBondContact CG2-O 3.38Å
29	E	90.4	Very high	87.5	Confident	160 Å²	160	62 Å²	62	75%	0.748	33%	0.331	S	S	*	.	H	α-helix	trans	-64.8	-44.1	177.3	-64.1	175.3	177.5	0	0	112.1	S27 I32 A33	S27-E29 PolarHBondContact O-N 2.92Å; E29-I32 PolarHBondContact O-N 3.07Å; E29-A33 WeakPolarHBondContact O-CB 3.48Å; E29-A33 PolarHBondContact O-N 2.9Å
30	Q	90.7	Very high	87.3	Confident	107 Å²	107	66.1 Å²	66.1	50%	0.5	35%	0.353	S	S	.	.	H	α-helix	trans	-63.6	-42.2	175.7	-75	167.8	-46.1	0	0	111.6	S27 I32 A33 E34	S27-Q30 PolarHBondContact O-N 2.76Å; S27-Q30 VanDerWaalsContact O-N 3.1Å; S27-Q30 VanDerWaalsContact OG-CG 3.25Å; S27-Q30 WeakPolarHBondContact OG-CG 3.47Å; S27-Q30 PolarHBondContact OG-N 3.1Å; S27-Q30 PolarHBondContact OG-OE1 2.87Å; Q30-I32 VanDerWaalsContact C-N 3.31Å; Q30-I32 PolarHBondContact O-N 2.94Å; Q30-A33 PolarHBondContact O-N 3.4Å; Q30-A33 VanDerWaalsContact O-N 3.16Å; Q30-E34 WeakPolarHBondContact O-CG 3.2Å; Q30-E34 PolarHBondContact O-N 2.94Å
31	I	90.3	Very high	87	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-57.2	-46.7	175.2	-72.3	154.3	0	0	0	110.8	L20 C22 S27 T28 A33 Y35 L80	L20-I31 HydrophobicContact CD1-CG2 3.91Å; C22-I31 HydrophobicContact CB-CG1 4.32Å; S27-I31 PolarHBondContact O-N 2.98Å; T28-I31 PolarHBondContact O-N 3.14Å; I31-A33 VanDerWaalsContact C-N 3.33Å; I31-A33 PolarHBondContact O-N 3.02Å; I31-Y35 WeakPolarHBondContact O-CB 3.46Å; I31-Y35 PolarHBondContact O-N 3.09Å; I31-L80 HydrophobicContact CD1-CB 3.77Å; I31-L80 HydrophobicContact CG1-CB 4.34Å; I31-L80 HydrophobicContact CG2-CB 3.97Å
32	I	89.8	Confident	86.5	Confident	46 Å²	46	75.1 Å²	75.1	24%	0.236	38%	0.376	C	S	.	.	H	α-helix	trans	-65.9	-38.2	178.4	-66.4	164.7	0	0	0	110.9	T28 E29 Q30 R36	T28-I32 HydrophobicContact CG2-CD1 3.92Å; T28-I32 WeakPolarHBondContact O-CD1 3.31Å; T28-I32 VanDerWaalsContact O-CG1 3.25Å; T28-I32 WeakPolarHBondContact O-CG1 3.28Å; T28-I32 PolarHBondContact O-N 3.32Å; E29-I32 PolarHBondContact O-N 3.07Å; Q30-I32 VanDerWaalsContact C-N 3.31Å; Q30-I32 PolarHBondContact O-N 2.94Å; I32-R36 VanDerWaalsContact O-CG 3.25Å; I32-R36 WeakPolarHBondContact O-CG 3.36Å; I32-R36 PolarHBondContact O-N 2.85Å
33	A	91.2	Very high	85.7	Confident	48 Å²	48	79.3 Å²	79.3	40%	0.397	39%	0.394	S	S	.	.	H	α-helix	trans	-65.1	-48.9	177.6	0	0	0	0	0	111.9	E29 Q30 I31 Y35 R36 V37	E29-A33 WeakPolarHBondContact O-CB 3.48Å; E29-A33 PolarHBondContact O-N 2.9Å; Q30-A33 PolarHBondContact O-N 3.4Å; Q30-A33 VanDerWaalsContact O-N 3.16Å; I31-A33 VanDerWaalsContact C-N 3.33Å; I31-A33 PolarHBondContact O-N 3.02Å; A33-Y35 VanDerWaalsContact C-N 3.35Å; A33-Y35 PolarHBondContact O-N 3.05Å; A33-R36 WeakPolarHBondContact O-CB 3.24Å; A33-R36 PolarHBondContact O-N 3Å; A33-R36 VanDerWaalsContact O-N 3.16Å; A33-V37 WeakPolarHBondContact O-CG2 3.45Å; A33-V37 PolarHBondContact O-N 3.49Å
34	E	89.7	Confident	84.6	Confident	78 Å²	78	78.4 Å²	78.4	36%	0.364	39%	0.393	S	S	.	.	H	α-helix	trans	-61.5	-43	177.7	-74.3	-56.6	140.4	0	0	111.8	Q30 R36 V37 R38	Q30-E34 WeakPolarHBondContact O-CG 3.2Å; Q30-E34 PolarHBondContact O-N 2.94Å; E34-R36 VanDerWaalsContact C-N 3.34Å; E34-R36 PolarHBondContact O-N 3.49Å; E34-V37 PolarHBondContact O-N 3.24Å; E34-R38 WeakPolarHBondContact O-CG 3.25Å; E34-R38 PolarHBondContact O-N 3.49Å
35	Y	90.2	Very high	83.8	Confident	43 Å²	43	80.8 Å²	80.8	17%	0.169	41%	0.409	C	S	.	.	H	α-helix	trans	-54.8	-49.2	172.8	171	-103	0	0	0	111.6	I31 A33 V37 R38 A39 L73 K77	I31-Y35 WeakPolarHBondContact O-CB 3.46Å; I31-Y35 PolarHBondContact O-N 3.09Å; A33-Y35 VanDerWaalsContact C-N 3.35Å; A33-Y35 PolarHBondContact O-N 3.05Å; Y35-V37 VanDerWaalsContact C-N 3.34Å; Y35-V37 PolarHBondContact O-N 3Å; Y35-R38 PolarHBondContact O-N 3.42Å; Y35-A39 HydrophobicContact CE2-CB 4.46Å; Y35-A39 WeakPolarHBondContact O-CB 3.36Å; Y35-A39 PolarHBondContact O-N 3.46Å; Y35-L73 HydrophobicContact CD2-CB 4.2Å; Y35-L73 WeakPolarHBondContact CD2-O 3.41Å; Y35-L73 HydrophobicContact CE2-CB 4.19Å; Y35-K77 HydrophobicContact CD1-CB 4.41Å; Y35-K77 HydrophobicContact CD1-CD 4.43Å; Y35-K77 HydrophobicContact CD1-CG 3.96Å; Y35-K77 HydrophobicContact CD2-CB 3.67Å; Y35-K77 HydrophobicContact CD2-CG 4.14Å; Y35-K77 HydrophobicContact CE2-CB 4.25Å; Y35-K77 HydrophobicContact CG-CB 3.76Å; Y35-K77 HydrophobicContact CG-CG 3.74Å
36	R	88.8	Confident	82.6	Confident	164 Å²	164	83 Å²	83	62%	0.619	41%	0.408	S	S	*	.	H	α-helix	trans	-59.9	-44.7	179.1	-73.8	170.2	-178.7	-177.3	2.6	111.4	I32 A33 E34 R38 L40	I32-R36 VanDerWaalsContact O-CG 3.25Å; I32-R36 WeakPolarHBondContact O-CG 3.36Å; I32-R36 PolarHBondContact O-N 2.85Å; A33-R36 WeakPolarHBondContact O-CB 3.24Å; A33-R36 PolarHBondContact O-N 3Å; A33-R36 VanDerWaalsContact O-N 3.16Å; E34-R36 VanDerWaalsContact C-N 3.34Å; E34-R36 PolarHBondContact O-N 3.49Å; R36-R38 PolarHBondContact O-N 3.4Å; R36-L40 WeakPolarHBondContact O-CB 3.36Å; R36-L40 WeakPolarHBondContact O-CD1 3.49Å; R36-L40 WeakPolarHBondContact O-CG 3.4Å; R36-L40 PolarHBondContact O-N 2.79Å
37	V	88.2	Confident	81.2	Confident	64 Å²	64	84.9 Å²	84.9	39%	0.388	42%	0.42	S	S	.	.	H	α-helix	trans	-62	-43.7	179.5	173.3	0	0	0	0	111.2	A33 E34 Y35 R41	A33-V37 WeakPolarHBondContact O-CG2 3.45Å; A33-V37 PolarHBondContact O-N 3.49Å; E34-V37 PolarHBondContact O-N 3.24Å; Y35-V37 VanDerWaalsContact C-N 3.34Å; Y35-V37 PolarHBondContact O-N 3Å; V37-R41 WeakPolarHBondContact O-CG 3.41Å; V37-R41 PolarHBondContact O-N 2.85Å
38	R	85.6	Confident	79.6	Confident	76 Å²	76	85.8 Å²	85.8	29%	0.287	44%	0.437	S	S	.	.	H	α-helix	trans	-72.4	-43.7	-179.8	-68.4	-177.5	-176.3	-146.9	-7.4	112.7	I19 L20 G21 E34 Y35 R36 L40 R41 L42 L73	I19-R38 VanDerWaalsContact C-NH1 3.34Å; I19-R38 PolarHBondContact O-NH1 2.96Å; L20-R38 PolarHBondContact O-NE 2.85Å; L20-R38 PolarHBondContact O-NH1 3.1Å; L20-R38 PolarHBondContact O-NH2 2.85Å; L20-R38 VanDerWaalsContact O-NH2 3.11Å; G21-R38 VanDerWaalsContact CA-NH2 3.25Å; E34-R38 WeakPolarHBondContact O-CG 3.25Å; E34-R38 PolarHBondContact O-N 3.49Å; Y35-R38 PolarHBondContact O-N 3.42Å; R36-R38 PolarHBondContact O-N 3.4Å; R38-L40 VanDerWaalsContact C-N 3.26Å; R38-L40 PolarHBondContact O-N 3.12Å; R38-R41 WeakPolarHBondContact O-CB 3.48Å; R38-R41 PolarHBondContact O-N 3.21Å; R38-L42 PolarHBondContact O-N 3.16Å; R38-L42 VanDerWaalsContact O-N 3.1Å; R38-L73 HydrophobicContact CB-CD1 3.9Å; R38-L73 HydrophobicContact CB-CD2 4.06Å; R38-L73 HydrophobicContact CG-CD2 4.49Å
39	A	86.3	Confident	77.8	Confident	18 Å²	18	85.2 Å²	85.2	15%	0.149	43%	0.431	C	S	.	.	H	α-helix	trans	-58.3	-39.6	175.8	0	0	0	0	0	111.8	Y35 R41 L42 H43 F70	Y35-A39 HydrophobicContact CE2-CB 4.46Å; Y35-A39 WeakPolarHBondContact O-CB 3.36Å; Y35-A39 PolarHBondContact O-N 3.46Å; A39-R41 VanDerWaalsContact C-N 3.3Å; A39-R41 PolarHBondContact O-N 3Å; A39-L42 PolarHBondContact O-N 2.96Å; A39-H43 PolarHBondContact O-N 3.22Å; A39-H43 VanDerWaalsContact O-N 3.09Å; A39-F70 HydrophobicContact CB-CE2 4.05Å
40	L	83.5	Confident	76	Confident	109 Å²	109	82.8 Å²	82.8	57%	0.571	43%	0.427	S	S	*	.	H	α-helix	trans	-67.3	-27.4	175.2	-72.3	171.8	0	0	0	113.5	R36 R38 H43	R36-L40 WeakPolarHBondContact O-CB 3.36Å; R36-L40 WeakPolarHBondContact O-CD1 3.49Å; R36-L40 WeakPolarHBondContact O-CG 3.4Å; R36-L40 PolarHBondContact O-N 2.79Å; R38-L40 VanDerWaalsContact C-N 3.26Å; R38-L40 PolarHBondContact O-N 3.12Å; L40-H43 WeakPolarHBondContact O-CB 3.48Å
41	R	78.2	Confident	74.4	Confident	174 Å²	174	87.7 Å²	87.7	66%	0.657	44%	0.441	S	S	*	.	H	α-helix	trans	-74.3	-35.7	174.3	-69	172.7	-173.7	-166.4	2.9	111.9	V37 R38 A39 H43	V37-R41 WeakPolarHBondContact O-CG 3.41Å; V37-R41 PolarHBondContact O-N 2.85Å; R38-R41 WeakPolarHBondContact O-CB 3.48Å; R38-R41 PolarHBondContact O-N 3.21Å; A39-R41 VanDerWaalsContact C-N 3.3Å; A39-R41 PolarHBondContact O-N 3Å; R41-H43 PolarHBondContact O-N 3.42Å
42	L	72.8	Confident	72.7	Confident	61 Å²	61	96.3 Å²	96.3	32%	0.319	48%	0.479	S	S	.	.	H	α-helix	trans	-79.6	-6.2	175.8	-67.7	170.1	0	0	0	113	R38 A39 H69 F70 L73	R38-L42 PolarHBondContact O-N 3.16Å; R38-L42 VanDerWaalsContact O-N 3.1Å; A39-L42 PolarHBondContact O-N 2.96Å; L42-H69 HydrophobicContact CD1-CB 4.28Å; L42-F70 HydrophobicContact CD1-CB 4.27Å; L42-L73 HydrophobicContact CD1-CD1 3.42Å; L42-L73 VanDerWaalsContact CD1-CD1 3.42Å
43	H	69.3	Low	70.8	Confident	99 Å²	99	102.9 Å²	102.9	46%	0.458	50%	0.501	S	S	.	.			trans	-63.5	131.4	-177.6	-164	-90.9	0	0	0	111.1	A39 L40 R41 D45 K46	A39-H43 PolarHBondContact O-N 3.22Å; A39-H43 VanDerWaalsContact O-N 3.09Å; L40-H43 WeakPolarHBondContact O-CB 3.48Å; R41-H43 PolarHBondContact O-N 3.42Å; H43-D45 WeakPolarHBondContact ND1-CB 3.47Å; H43-D45 PolarHBondContact ND1-N 3.01Å; H43-D45 PolarHBondContact O-N 2.95Å; H43-K46 PolarHBondContact O-N 2.79Å
44	P	63.2	Low	69	Low	72 Å²	72	103.4 Å²	103.4	47%	0.468	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-0.1	-176.1	29.1	-38.3	0	0	0	114.4	T47	P44-T47 CarbonylContact C-O 3.3Å; P44-T47 CarbonylContact O-C 3.06Å
45	D	65	Low	67.4	Low	137 Å²	137	107.2 Å²	107.2	73%	0.733	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-29.6	174.7	-168	54.1	0	0	0	111.8	H43	H43-D45 WeakPolarHBondContact ND1-CB 3.47Å; H43-D45 PolarHBondContact ND1-N 3.01Å; H43-D45 PolarHBondContact O-N 2.95Å
46	K	57.1	Low	66.2	Low	165 Å²	165	107.3 Å²	107.3	72%	0.717	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-38.7	175.9	-68.6	-167.9	179.9	-173.6	0	112.6	H43 G48	H43-K46 PolarHBondContact O-N 2.79Å; K46-G48 VanDerWaalsContact C-N 3.31Å; K46-G48 PolarHBondContact O-N 3.5Å; K46-G48 VanDerWaalsContact O-N 3.09Å
47	T	56.2	Low	65.3	Low	57 Å²	57	110 Å²	110	35%	0.35	53%	0.528	S	S	.	.	S	Bend	trans	-80.8	88.6	169.1	-45.7	0	0	0	0	105.2	P44 N49 M62	P44-T47 CarbonylContact C-O 3.3Å; P44-T47 CarbonylContact O-C 3.06Å; T47-N49 HydrophobicContact CG2-CB 4.12Å; T47-N49 PolarHBondContact O-N 3.11Å; T47-M62 HydrophobicContact CG2-CE 4.06Å
48	G	55.8	Low	64.3	Low	67 Å²	67	113.9 Å²	113.9	69%	0.691	54%	0.542	S	S	*	.			trans	-60.2	32.4	-178.8	0	0	0	0	0	115.4	K46 T50	K46-G48 VanDerWaalsContact C-N 3.31Å; K46-G48 PolarHBondContact O-N 3.5Å; K46-G48 VanDerWaalsContact O-N 3.09Å; G48-T50 PolarHBondContact O-N 2.88Å
49	N	52.2	Low	63.3	Low	45 Å²	45	114.4 Å²	114.4	24%	0.241	55%	0.547	C	S	.	.			trans	-78	78.7	174.5	-148.6	-2.8	0	0	0	107.3	T47 R51 Y54	T47-N49 HydrophobicContact CG2-CB 4.12Å; T47-N49 PolarHBondContact O-N 3.11Å; N49-R51 PolarHBondContact O-N 3.32Å; N49-Y54 PolarHBondContact ND2-OH 3.49Å; N49-Y54 WeakPolarHBondContact OD1-CE1 3.21Å; N49-Y54 PolarHBondContact OD1-OH 3.04Å
50	T	52.9	Low	62.4	Low	108 Å²	108	117.9 Å²	117.9	66%	0.663	56%	0.561	S	S	*	*			trans	-27.1	105	148.6	48.1	0	0	0	0	109.5	G48 K52	G48-T50 PolarHBondContact O-N 2.88Å; T50-K52 PolarHBondContact O-N 3.12Å
51	R	55.5	Low	61.9	Low	210 Å²	210	117.6 Å²	117.6	79%	0.792	56%	0.56	S	S	*	*	S	Bend	trans	-68	57.7	175.2	-171.1	-169.7	-67	153.6	-1.8	110.3	N49	N49-R51 PolarHBondContact O-N 3.32Å
52	K	55.6	Low	61.6	Low	181 Å²	181	114.1 Å²	114.1	79%	0.787	55%	0.553	S	S	*	*	S	Bend	trans	-146.1	97.8	-177.2	-99.4	-179.5	175.9	177.2	0	108.2	T50	T50-K52 PolarHBondContact O-N 3.12Å
53	W	49.5	Very low	61.7	Low	185 Å²	185	113 Å²	113	70%	0.701	55%	0.547	S	S	*	.			trans	77	96.3	158	-139.4	109.4	0	0	0	115	H55	W53-H55 AromaticContact CD2-CE1 3.74Å; W53-H55 HydrophobicContact CE3-CB 4.41Å; W53-H55 AromaticContact CE3-CD2 3.84Å; W53-H55 AromaticContact CE3-CE1 3.06Å; W53-H55 AromaticContact CE3-CG 3.52Å; W53-H55 AromaticContact CE3-ND1 3.02Å; W53-H55 AromaticContact CE3-NE2 3.6Å; W53-H55 AromaticContact CH2-CD2 3.28Å; W53-H55 WeakPolarHBondContact CH2-CD2 3.23Å; W53-H55 AromaticContact CH2-CE1 3.38Å; W53-H55 WeakPolarHBondContact CH2-CE1 3.33Å; W53-H55 AromaticContact CH2-CG 3.85Å; W53-H55 AromaticContact CH2-ND1 3.91Å; W53-H55 AromaticContact CH2-NE2 2.96Å; W53-H55 WeakPolarHBondContact CH2-NE2 3.46Å; W53-H55 AromaticContact CZ2-CE1 3.96Å; W53-H55 AromaticContact CZ2-NE2 3.75Å; W53-H55 HydrophobicContact CZ3-CB 3.95Å; W53-H55 AromaticContact CZ3-CD2 2.96Å; W53-H55 WeakPolarHBondContact CZ3-CD2 3.49Å; W53-H55 AromaticContact CZ3-CE1 2.97Å; W53-H55 WeakPolarHBondContact CZ3-CE1 3.47Å; W53-H55 AromaticContact CZ3-CG 3.02Å; W53-H55 AromaticContact CZ3-ND1 3.04Å; W53-H55 WeakPolarHBondContact CZ3-ND1 3.28Å; W53-H55 AromaticContact CZ3-NE2 2.96Å; W53-H55 WeakPolarHBondContact CZ3-NE2 3.44Å
54	Y	53.9	Low	62.1	Low	58 Å²	58	113 Å²	113	23%	0.227	55%	0.549	C	S	.	.			trans	-92.9	119.9	176.3	-62.9	-71.9	0	0	0	111.2	N49 Q59 M60 I63	N49-Y54 PolarHBondContact ND2-OH 3.49Å; N49-Y54 WeakPolarHBondContact OD1-CE1 3.21Å; N49-Y54 PolarHBondContact OD1-OH 3.04Å; Y54-Q59 HydrophobicContact CD1-CB 3.67Å; Y54-Q59 HydrophobicContact CE1-CB 4.22Å; Y54-M60 HydrophobicContact CD2-CE 4.24Å; Y54-I63 HydrophobicContact CD1-CD1 4.12Å; Y54-I63 HydrophobicContact CD2-CD1 4.13Å; Y54-I63 HydrophobicContact CE1-CD1 3.41Å; Y54-I63 VanDerWaalsContact CE1-CD1 3.41Å; Y54-I63 HydrophobicContact CE2-CD1 3.42Å; Y54-I63 VanDerWaalsContact CE2-CD1 3.42Å; Y54-I63 HydrophobicContact CG-CD1 4.45Å; Y54-I63 WeakPolarHBondContact OH-CD1 3.39Å
55	H	56.2	Low	62.9	Low	158 Å²	158	112.3 Å²	112.3	73%	0.731	54%	0.544	S	S	*	.			trans	-93.6	-3.6	173	-78.5	95	0	0	0	113.9	W53	W53-H55 AromaticContact CD2-CE1 3.74Å; W53-H55 HydrophobicContact CE3-CB 4.41Å; W53-H55 AromaticContact CE3-CD2 3.84Å; W53-H55 AromaticContact CE3-CE1 3.06Å; W53-H55 AromaticContact CE3-CG 3.52Å; W53-H55 AromaticContact CE3-ND1 3.02Å; W53-H55 AromaticContact CE3-NE2 3.6Å; W53-H55 AromaticContact CH2-CD2 3.28Å; W53-H55 WeakPolarHBondContact CH2-CD2 3.23Å; W53-H55 AromaticContact CH2-CE1 3.38Å; W53-H55 WeakPolarHBondContact CH2-CE1 3.33Å; W53-H55 AromaticContact CH2-CG 3.85Å; W53-H55 AromaticContact CH2-ND1 3.91Å; W53-H55 AromaticContact CH2-NE2 2.96Å; W53-H55 WeakPolarHBondContact CH2-NE2 3.46Å; W53-H55 AromaticContact CZ2-CE1 3.96Å; W53-H55 AromaticContact CZ2-NE2 3.75Å; W53-H55 HydrophobicContact CZ3-CB 3.95Å; W53-H55 AromaticContact CZ3-CD2 2.96Å; W53-H55 WeakPolarHBondContact CZ3-CD2 3.49Å; W53-H55 AromaticContact CZ3-CE1 2.97Å; W53-H55 WeakPolarHBondContact CZ3-CE1 3.47Å; W53-H55 AromaticContact CZ3-CG 3.02Å; W53-H55 AromaticContact CZ3-ND1 3.04Å; W53-H55 WeakPolarHBondContact CZ3-ND1 3.28Å; W53-H55 AromaticContact CZ3-NE2 2.96Å; W53-H55 WeakPolarHBondContact CZ3-NE2 3.44Å
56	S	65.3	Low	63.6	Low	45 Å²	45	107.2 Å²	107.2	32%	0.315	52%	0.521	S	S	.	.	S	Bend	trans	-139.5	137.7	-172.9	-177.1	0	0	0	0	113.2	E58 Q59 M60	S56-E58 PolarHBondContact O-N 3.18Å; S56-Q59 PolarHBondContact O-N 3.49Å; S56-M60 PolarHBondContact O-N 3.2Å
57	W	68.7	Low	64.8	Low	222 Å²	222	104.5 Å²	104.5	84%	0.841	51%	0.514	S	S	*	.	H	α-helix	trans	-55.6	-28.5	-179.5	65	-11.1	0	0	0	115	M60 N61	W57-M60 PolarHBondContact O-N 3.47Å; W57-N61 PolarHBondContact O-N 2.65Å
58	E	67.6	Low	66.2	Low	145 Å²	145	104.5 Å²	104.5	68%	0.678	52%	0.519	S	S	*	.	H	α-helix	trans	-74.9	-39.5	-174.5	-177.5	174	-152	0	0	110.1	S56 M60 N61 M62	S56-E58 PolarHBondContact O-N 3.18Å; E58-M60 VanDerWaalsContact C-N 3.34Å; E58-N61 PolarHBondContact O-N 3.43Å; E58-M62 PolarHBondContact O-N 2.9Å; E58-M62 VanDerWaalsContact O-N 3.08Å
59	Q	64.2	Low	67.5	Low	87 Å²	87	105.8 Å²	105.8	41%	0.407	51%	0.507	S	S	.	.	H	α-helix	trans	-67.8	-36.8	174.7	-62.4	179.9	75.9	0	0	111.2	Y54 S56 I63	Y54-Q59 HydrophobicContact CD1-CB 3.67Å; Y54-Q59 HydrophobicContact CE1-CB 4.22Å; S56-Q59 PolarHBondContact O-N 3.49Å; Q59-I63 VanDerWaalsContact O-CD1 3.28Å; Q59-I63 WeakPolarHBondContact O-CD1 3.45Å; Q59-I63 WeakPolarHBondContact O-CG1 3.09Å; Q59-I63 PolarHBondContact O-N 3.06Å
60	M	66.8	Low	69.1	Low	90 Å²	90	107.8 Å²	107.8	44%	0.443	51%	0.514	S	S	.	.	H	α-helix	trans	-66.1	-47.1	174.9	-175.4	63.2	69.1	0	0	111.3	Y54 S56 W57 E58 M62 I63 I64	Y54-M60 HydrophobicContact CD2-CE 4.24Å; S56-M60 PolarHBondContact O-N 3.2Å; W57-M60 PolarHBondContact O-N 3.47Å; E58-M60 VanDerWaalsContact C-N 3.34Å; M60-M62 VanDerWaalsContact C-N 3.32Å; M60-M62 PolarHBondContact O-N 2.79Å; M60-I63 PolarHBondContact O-N 3.49Å; M60-I64 HydrophobicContact CG-CD1 3.88Å; M60-I64 WeakPolarHBondContact O-CG1 3.36Å; M60-I64 PolarHBondContact O-N 2.72Å; M60-I64 VanDerWaalsContact O-N 3.11Å; M60-I64 HydrophobicContact SD-CD1 4.38Å
61	N	73.3	Confident	70.6	Confident	103 Å²	103	104.8 Å²	104.8	55%	0.551	50%	0.5	S	S	*	.	H	α-helix	trans	-56.7	-48.2	177.9	-172	65.7	0	0	0	110.5	W57 E58 I63 I64 V65	W57-N61 PolarHBondContact O-N 2.65Å; E58-N61 PolarHBondContact O-N 3.43Å; N61-I63 VanDerWaalsContact C-N 3.3Å; N61-I63 PolarHBondContact O-N 2.92Å; N61-I64 PolarHBondContact O-N 3.36Å; N61-I64 VanDerWaalsContact O-N 3.13Å; N61-V65 WeakPolarHBondContact O-CG2 3.33Å; N61-V65 PolarHBondContact O-N 2.98Å
62	M	72.4	Confident	72.1	Confident	101 Å²	101	95.8 Å²	95.8	50%	0.498	47%	0.471	S	S	.	.	H	α-helix	trans	-52.5	-43.5	178.3	-171.6	-159	177.6	0	0	113.3	T47 E58 M60 V65 A66	T47-M62 HydrophobicContact CG2-CE 4.06Å; E58-M62 PolarHBondContact O-N 2.9Å; E58-M62 VanDerWaalsContact O-N 3.08Å; M60-M62 VanDerWaalsContact C-N 3.32Å; M60-M62 PolarHBondContact O-N 2.79Å; M62-V65 PolarHBondContact O-N 3.24Å; M62-A66 WeakPolarHBondContact O-CB 3.06Å; M62-A66 PolarHBondContact O-N 2.96Å
63	I	74.8	Confident	73.7	Confident	37 Å²	37	87.6 Å²	87.6	19%	0.19	44%	0.436	C	S	.	.	H	α-helix	trans	-69.5	-43	-179.3	-65.6	155	0	0	0	110.7	Y54 Q59 M60 N61 V65 A66 D67	Y54-I63 HydrophobicContact CD1-CD1 4.12Å; Y54-I63 HydrophobicContact CD2-CD1 4.13Å; Y54-I63 HydrophobicContact CE1-CD1 3.41Å; Y54-I63 VanDerWaalsContact CE1-CD1 3.41Å; Y54-I63 HydrophobicContact CE2-CD1 3.42Å; Y54-I63 VanDerWaalsContact CE2-CD1 3.42Å; Y54-I63 HydrophobicContact CG-CD1 4.45Å; Y54-I63 WeakPolarHBondContact OH-CD1 3.39Å; Q59-I63 VanDerWaalsContact O-CD1 3.28Å; Q59-I63 WeakPolarHBondContact O-CD1 3.45Å; Q59-I63 WeakPolarHBondContact O-CG1 3.09Å; Q59-I63 PolarHBondContact O-N 3.06Å; M60-I63 PolarHBondContact O-N 3.49Å; N61-I63 VanDerWaalsContact C-N 3.3Å; N61-I63 PolarHBondContact O-N 2.92Å; I63-V65 VanDerWaalsContact C-N 3.29Å; I63-V65 PolarHBondContact O-N 3.09Å; I63-A66 PolarHBondContact O-N 3.16Å; I63-D67 WeakPolarHBondContact O-CB 3.09Å; I63-D67 PolarHBondContact O-N 3.49Å
64	I	78.2	Confident	75.5	Confident	99 Å²	99	80.9 Å²	80.9	51%	0.508	42%	0.417	S	S	.	.	H	α-helix	trans	-59.1	-44	175.7	-64.7	165.7	0	0	0	110	M60 N61 A68	M60-I64 HydrophobicContact CG-CD1 3.88Å; M60-I64 WeakPolarHBondContact O-CG1 3.36Å; M60-I64 PolarHBondContact O-N 2.72Å; M60-I64 VanDerWaalsContact O-N 3.11Å; M60-I64 HydrophobicContact SD-CD1 4.38Å; N61-I64 PolarHBondContact O-N 3.36Å; N61-I64 VanDerWaalsContact O-N 3.13Å; I64-A68 VanDerWaalsContact O-CB 3.28Å; I64-A68 WeakPolarHBondContact O-CB 3.17Å; I64-A68 PolarHBondContact O-N 2.96Å
65	V	79.3	Confident	77.1	Confident	59 Å²	59	81 Å²	81	36%	0.358	42%	0.419	S	S	.	.	H	α-helix	trans	-66.3	-41.1	177	-138.6	0	0	0	0	111.3	N61 M62 I63 A68 H69	N61-V65 WeakPolarHBondContact O-CG2 3.33Å; N61-V65 PolarHBondContact O-N 2.98Å; M62-V65 PolarHBondContact O-N 3.24Å; I63-V65 VanDerWaalsContact C-N 3.29Å; I63-V65 PolarHBondContact O-N 3.09Å; V65-A68 PolarHBondContact O-N 3.4Å; V65-H69 WeakPolarHBondContact O-CB 3.22Å; V65-H69 PolarHBondContact O-CD2 2.91Å; V65-H69 PolarHBondContact O-N 3.43Å
66	A	81.1	Confident	78.6	Confident	30 Å²	30	73.5 Å²	73.5	25%	0.248	39%	0.385	C	S	.	.	H	α-helix	trans	-64	-43.2	178.9	0	0	0	0	0	112.5	M62 I63 H69 F70	M62-A66 WeakPolarHBondContact O-CB 3.06Å; M62-A66 PolarHBondContact O-N 2.96Å; I63-A66 PolarHBondContact O-N 3.16Å; A66-H69 PolarHBondContact O-N 3.32Å; A66-F70 WeakPolarHBondContact O-CB 3.46Å; A66-F70 PolarHBondContact O-N 3.13Å
67	D	82.3	Confident	79.8	Confident	108 Å²	108	74.3 Å²	74.3	58%	0.578	38%	0.383	S	S	*	.	H	α-helix	trans	-65.5	-41.4	175.8	-75.9	-14.1	0	0	0	110.9	I63 F70 A71	I63-D67 WeakPolarHBondContact O-CB 3.09Å; I63-D67 PolarHBondContact O-N 3.49Å; D67-F70 PolarHBondContact O-N 3.26Å; D67-A71 WeakPolarHBondContact O-CB 3.49Å; D67-A71 PolarHBondContact O-N 3.34Å
68	A	83.7	Confident	80.7	Confident	56 Å²	56	68.2 Å²	68.2	46%	0.463	36%	0.364	S	S	.	.	H	α-helix	trans	-63	-45.5	175.2	0	0	0	0	0	112	I64 V65 F70 A71 A72	I64-A68 VanDerWaalsContact O-CB 3.28Å; I64-A68 WeakPolarHBondContact O-CB 3.17Å; I64-A68 PolarHBondContact O-N 2.96Å; V65-A68 PolarHBondContact O-N 3.4Å; A68-F70 VanDerWaalsContact C-N 3.32Å; A68-F70 PolarHBondContact O-N 3Å; A68-A71 PolarHBondContact O-N 3Å; A68-A72 WeakPolarHBondContact O-CB 3.45Å; A68-A72 PolarHBondContact O-N 3.05Å
69	H	83.5	Confident	81.6	Confident	94 Å²	94	61.7 Å²	61.7	44%	0.435	33%	0.333	S	S	.	.	H	α-helix	trans	-61.3	-40.2	174.5	-78.3	-60.2	0	0	0	112.1	L42 V65 A66 L73	L42-H69 HydrophobicContact CD1-CB 4.28Å; V65-H69 WeakPolarHBondContact O-CB 3.22Å; V65-H69 PolarHBondContact O-CD2 2.91Å; V65-H69 PolarHBondContact O-N 3.43Å; A66-H69 PolarHBondContact O-N 3.32Å; H69-L73 WeakPolarHBondContact O-CB 3.45Å; H69-L73 WeakPolarHBondContact O-CD1 3.36Å; H69-L73 VanDerWaalsContact O-CG 3.27Å; H69-L73 WeakPolarHBondContact O-CG 3.32Å; H69-L73 PolarHBondContact O-N 2.83Å
70	F	85.5	Confident	82.7	Confident	87 Å²	87	57.5 Å²	57.5	38%	0.382	31%	0.314	S	S	.	.	H	α-helix	trans	-65.9	-43.2	176.9	-177	-96.5	0	0	0	112	A39 L42 A66 D67 A68 L73 S74	A39-F70 HydrophobicContact CB-CE2 4.05Å; L42-F70 HydrophobicContact CD1-CB 4.27Å; A66-F70 WeakPolarHBondContact O-CB 3.46Å; A66-F70 PolarHBondContact O-N 3.13Å; D67-F70 PolarHBondContact O-N 3.26Å; A68-F70 VanDerWaalsContact C-N 3.32Å; A68-F70 PolarHBondContact O-N 3Å; F70-L73 PolarHBondContact O-N 3.44Å; F70-S74 WeakPolarHBondContact O-CB 3.43Å; F70-S74 PolarHBondContact O-N 2.84Å
71	A	86	Confident	83.7	Confident	45 Å²	45	54 Å²	54	37%	0.372	30%	0.298	S	S	.	.	H	α-helix	trans	-59.5	-49.6	175.1	0	0	0	0	0	111.1	D67 A68 L73 S74 Q75	D67-A71 WeakPolarHBondContact O-CB 3.49Å; D67-A71 PolarHBondContact O-N 3.34Å; A68-A71 PolarHBondContact O-N 3Å; A71-L73 PolarHBondContact O-N 3.33Å; A71-S74 WeakPolarHBondContact O-CB 3.4Å; A71-S74 PolarHBondContact O-N 3.1Å; A71-S74 VanDerWaalsContact O-N 3.16Å; A71-Q75 WeakPolarHBondContact O-CG 3.39Å; A71-Q75 PolarHBondContact O-N 3.01Å
72	A	86.3	Confident	84.4	Confident	21 Å²	21	52.1 Å²	52.1	17%	0.174	29%	0.288	C	S	.	.	H	α-helix	trans	-60.2	-42.6	177.9	0	0	0	0	0	112.5	I19 A68 S74 Q75 A76	I19-A72 HydrophobicContact CD1-CB 4.28Å; I19-A72 HydrophobicContact CG2-CB 4.16Å; A68-A72 WeakPolarHBondContact O-CB 3.45Å; A68-A72 PolarHBondContact O-N 3.05Å; A72-S74 PolarHBondContact O-N 3.48Å; A72-Q75 PolarHBondContact O-N 3.5Å; A72-A76 VanDerWaalsContact O-CB 3.29Å; A72-A76 WeakPolarHBondContact O-CB 3.15Å; A72-A76 PolarHBondContact O-N 3.35Å
73	L	88.5	Confident	85.1	Confident	10 Å²	10	52 Å²	52	5%	0.052	30%	0.295	C	S	.	.	H	α-helix	trans	-60.9	-43.1	174.3	-81.7	166.2	0	0	0	112.5	I19 L20 Y35 R38 L42 H69 F70 A71 A76 K77	I19-L73 HydrophobicContact CG2-CD2 3.95Å; I19-L73 HydrophobicContact CG2-CG 4.05Å; I19-L73 WeakPolarHBondContact O-CD2 3.46Å; L20-L73 HydrophobicContact CD2-CD2 4.34Å; Y35-L73 HydrophobicContact CD2-CB 4.2Å; Y35-L73 WeakPolarHBondContact CD2-O 3.41Å; Y35-L73 HydrophobicContact CE2-CB 4.19Å; R38-L73 HydrophobicContact CB-CD1 3.9Å; R38-L73 HydrophobicContact CB-CD2 4.06Å; R38-L73 HydrophobicContact CG-CD2 4.49Å; L42-L73 HydrophobicContact CD1-CD1 3.42Å; L42-L73 VanDerWaalsContact CD1-CD1 3.42Å; H69-L73 WeakPolarHBondContact O-CB 3.45Å; H69-L73 WeakPolarHBondContact O-CD1 3.36Å; H69-L73 VanDerWaalsContact O-CG 3.27Å; H69-L73 WeakPolarHBondContact O-CG 3.32Å; H69-L73 PolarHBondContact O-N 2.83Å; F70-L73 PolarHBondContact O-N 3.44Å; A71-L73 PolarHBondContact O-N 3.33Å; L73-A76 PolarHBondContact O-N 2.95Å; L73-K77 WeakPolarHBondContact O-CB 3.35Å; L73-K77 PolarHBondContact O-N 3.45Å
74	S	88.1	Confident	85.7	Confident	44 Å²	44	57.5 Å²	57.5	31%	0.308	32%	0.32	S	S	.	.	H	α-helix	trans	-63.5	-44.5	178.8	-168.8	0	0	0	0	111.2	F70 A71 A72 K77 E78	F70-S74 WeakPolarHBondContact O-CB 3.43Å; F70-S74 PolarHBondContact O-N 2.84Å; A71-S74 WeakPolarHBondContact O-CB 3.4Å; A71-S74 PolarHBondContact O-N 3.1Å; A71-S74 VanDerWaalsContact O-N 3.16Å; A72-S74 PolarHBondContact O-N 3.48Å; S74-K77 PolarHBondContact O-N 3.3Å; S74-E78 PolarHBondContact O-N 3.49Å
75	Q	86.6	Confident	86.1	Confident	60 Å²	60	55 Å²	55	28%	0.28	31%	0.305	S	S	.	.	H	α-helix	trans	-61.9	-51	176	-71	171.8	-21.4	0	0	111.1	Y16 A71 A72 K77 E78 V79 E102	Y16-Q75 HydrophobicContact CE1-CB 4.21Å; A71-Q75 WeakPolarHBondContact O-CG 3.39Å; A71-Q75 PolarHBondContact O-N 3.01Å; A72-Q75 PolarHBondContact O-N 3.5Å; Q75-K77 VanDerWaalsContact C-N 3.26Å; Q75-K77 PolarHBondContact O-N 2.88Å; Q75-E78 PolarHBondContact O-N 2.63Å; Q75-V79 WeakPolarHBondContact O-CG2 3.38Å; Q75-V79 PolarHBondContact O-N 3.05Å; Q75-E102 PolarHBondContact NE2-OE1 3.46Å; Q75-E102 PolarHBondContact NE2-OE2 2.86Å
76	A	88.6	Confident	86.4	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-53.3	-45.9	178	0	0	0	0	0	111.8	Y16 I19 L20 A72 L73 E78 V79 L80	Y16-A76 HydrophobicContact CD1-CB 3.48Å; Y16-A76 VanDerWaalsContact CD1-CB 3.48Å; Y16-A76 HydrophobicContact CE1-CB 4.41Å; Y16-A76 HydrophobicContact CG-CB 3.91Å; I19-A76 HydrophobicContact CB-CB 4.38Å; I19-A76 HydrophobicContact CG2-CB 4.17Å; L20-A76 HydrophobicContact CD1-CB 3.51Å; L20-A76 HydrophobicContact CG-CB 3.8Å; A72-A76 VanDerWaalsContact O-CB 3.29Å; A72-A76 WeakPolarHBondContact O-CB 3.15Å; A72-A76 PolarHBondContact O-N 3.35Å; L73-A76 PolarHBondContact O-N 2.95Å; A76-E78 PolarHBondContact O-N 3.38Å; A76-V79 PolarHBondContact O-N 3.48Å; A76-L80 WeakPolarHBondContact O-CB 3.26Å; A76-L80 WeakPolarHBondContact O-CG 3.27Å; A76-L80 PolarHBondContact O-N 3.43Å
77	K	89.4	Confident	86.7	Confident	63 Å²	63	60.6 Å²	60.6	27%	0.274	32%	0.318	S	S	.	.	H	α-helix	trans	-61.5	-44.2	177.2	174.1	-95.2	165.3	-166.8	0	111.3	Y35 L73 S74 Q75 S81	Y35-K77 HydrophobicContact CD1-CB 4.41Å; Y35-K77 HydrophobicContact CD1-CD 4.43Å; Y35-K77 HydrophobicContact CD1-CG 3.96Å; Y35-K77 HydrophobicContact CD2-CB 3.67Å; Y35-K77 HydrophobicContact CD2-CG 4.14Å; Y35-K77 HydrophobicContact CE2-CB 4.25Å; Y35-K77 HydrophobicContact CG-CB 3.76Å; Y35-K77 HydrophobicContact CG-CG 3.74Å; L73-K77 WeakPolarHBondContact O-CB 3.35Å; L73-K77 PolarHBondContact O-N 3.45Å; S74-K77 PolarHBondContact O-N 3.3Å; Q75-K77 VanDerWaalsContact C-N 3.26Å; Q75-K77 PolarHBondContact O-N 2.88Å; K77-S81 WeakPolarHBondContact O-CA 3.47Å; K77-S81 WeakPolarHBondContact O-CB 3.35Å; K77-S81 PolarHBondContact O-N 3.01Å; K77-S81 PolarHBondContact O-OG 2.95Å
78	E	87.9	Confident	86.8	Confident	94 Å²	94	55.7 Å²	55.7	44%	0.439	29%	0.293	S	S	.	.	H	α-helix	trans	-62.7	-48.6	-178.7	-171.4	-178.9	155.1	0	0	111.1	S74 Q75 A76 S81 D82 K85	S74-E78 PolarHBondContact O-N 3.49Å; Q75-E78 PolarHBondContact O-N 2.63Å; A76-E78 PolarHBondContact O-N 3.38Å; E78-S81 PolarHBondContact O-N 3.18Å; E78-S81 PolarHBondContact O-OG 3.14Å; E78-D82 PolarHBondContact O-N 3.3Å; E78-K85 IonicContact OE1-NZ 2.92Å; E78-K85 PolarHBondContact OE1-NZ 3.28Å
79	V	87.7	Confident	86.9	Confident	7 Å²	7	53.1 Å²	53.1	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-64.5	-45.6	-178.4	175.8	0	0	0	0	112.3	Y16 Q75 A76 K85 R86 Y89 F101	Y16-V79 HydrophobicContact CD2-CB 4.14Å; Y16-V79 HydrophobicContact CD2-CG1 3.91Å; Y16-V79 HydrophobicContact CD2-CG2 4.44Å; Y16-V79 HydrophobicContact CE2-CB 4.15Å; Y16-V79 HydrophobicContact CE2-CG1 3.97Å; Y16-V79 HydrophobicContact CE2-CG2 3.96Å; Q75-V79 WeakPolarHBondContact O-CG2 3.38Å; Q75-V79 PolarHBondContact O-N 3.05Å; A76-V79 PolarHBondContact O-N 3.48Å; V79-K85 HydrophobicContact CG1-CB 4.32Å; V79-K85 CarbonylContact O-C 3.5Å; V79-K85 VanDerWaalsContact O-CB 3.24Å; V79-K85 WeakPolarHBondContact O-CB 3.29Å; V79-R86 PolarHBondContact O-N 2.91Å; V79-R86 VanDerWaalsContact O-N 3.09Å; V79-Y89 HydrophobicContact CG1-CD2 4.42Å; V79-Y89 HydrophobicContact CG1-CG 4.15Å; V79-F101 HydrophobicContact CB-CE1 3.94Å; V79-F101 HydrophobicContact CG1-CD1 4.07Å; V79-F101 HydrophobicContact CG1-CE1 3.24Å; V79-F101 HydrophobicContact CG1-CZ 3.64Å; V79-F101 HydrophobicContact CG2-CD1 3.93Å; V79-F101 HydrophobicContact CG2-CE1 3.39Å; V79-F101 HydrophobicContact CG2-CZ 4.45Å
80	L	87.8	Confident	87	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-81.5	-17.7	-178.2	-63.2	-173.8	0	0	0	112.9	Y17 L20 I31 A76 R86 Y89	Y17-L80 HydrophobicContact CD1-CD1 3.66Å; Y17-L80 HydrophobicContact CD1-CD2 4.3Å; Y17-L80 HydrophobicContact CE1-CD1 3.71Å; Y17-L80 HydrophobicContact CE1-CD2 3.59Å; Y17-L80 HydrophobicContact CE1-CG 4.32Å; Y17-L80 HydrophobicContact CE2-CD2 4.26Å; Y17-L80 HydrophobicContact CG-CD1 4.33Å; L20-L80 HydrophobicContact CD1-CD1 3.63Å; L20-L80 HydrophobicContact CD1-CG 4.41Å; I31-L80 HydrophobicContact CD1-CB 3.77Å; I31-L80 HydrophobicContact CG1-CB 4.34Å; I31-L80 HydrophobicContact CG2-CB 3.97Å; A76-L80 WeakPolarHBondContact O-CB 3.26Å; A76-L80 WeakPolarHBondContact O-CG 3.27Å; A76-L80 PolarHBondContact O-N 3.43Å; L80-R86 HydrophobicContact CD2-CG 4.09Å; L80-Y89 HydrophobicContact CD2-CD1 4.32Å
81	S	87	Confident	87	Confident	16 Å²	16	49.2 Å²	49.2	11%	0.112	26%	0.264	C	S	.	.	H	α-helix	trans	-71	-39	176.4	65	0	0	0	0	113	T28 K77 E78	T28-S81 WeakPolarHBondContact CG2-O 3.38Å; K77-S81 WeakPolarHBondContact O-CA 3.47Å; K77-S81 WeakPolarHBondContact O-CB 3.35Å; K77-S81 PolarHBondContact O-N 3.01Å; K77-S81 PolarHBondContact O-OG 2.95Å; E78-S81 PolarHBondContact O-N 3.18Å; E78-S81 PolarHBondContact O-OG 3.14Å
82	D	87.7	Confident	86.8	Confident	63 Å²	63	49.1 Å²	49.1	34%	0.337	25%	0.254	S	S	.	.	S	Bend	trans	-89.5	123	179.7	-65.4	-43.9	0	0	0	110.1	E78 E84 K85 R86	E78-D82 PolarHBondContact O-N 3.3Å; D82-E84 PolarHBondContact O-N 3.14Å; D82-K85 HydrophobicContact CB-CB 3.97Å; D82-K85 HydrophobicContact CB-CD 3.95Å; D82-K85 HydrophobicContact CB-CG 3.84Å; D82-K85 PolarHBondContact O-N 3.1Å; D82-K85 VanDerWaalsContact O-N 3.16Å; D82-K85 VanDerWaalsContact OD2-CD 3.31Å; D82-K85 WeakPolarHBondContact OD2-CD 3.14Å; D82-K85 VanDerWaalsContact OD2-CE 3.28Å; D82-K85 WeakPolarHBondContact OD2-CE 3.41Å; D82-K85 IonicContact OD2-NZ 3.99Å; D82-K85 PolarHBondContact OD2-NZ 2.93Å; D82-R86 WeakPolarHBondContact O-CB 3.45Å; D82-R86 PolarHBondContact O-N 2.96Å
83	P	86.9	Confident	86.5	Confident	99 Å²	99	52.9 Å²	52.9	64%	0.643	26%	0.263	S	S	*	.	H	α-helix	trans	-61.6	-31.2	-179	24.1	-33.3	0	0	0	112.5	K87	P83-K87 WeakPolarHBondContact O-CB 3.27Å; P83-K87 PolarHBondContact O-N 2.9Å
84	E	87	Confident	86	Confident	153 Å²	153	62.8 Å²	62.8	72%	0.715	30%	0.3	S	S	*	.	H	α-helix	trans	-68.4	-44.9	175.7	-62.7	-166.3	150.5	0	0	112.3	D82 K87 A88	D82-E84 PolarHBondContact O-N 3.14Å; E84-K87 PolarHBondContact O-N 3.03Å; E84-A88 WeakPolarHBondContact O-CB 3.21Å; E84-A88 PolarHBondContact O-N 3.19Å
85	K	86.7	Confident	85.4	Confident	45 Å²	45	64.3 Å²	64.3	20%	0.196	31%	0.31	C	S	.	.	H	α-helix	trans	-66.8	-40.1	176.6	-65.9	-177	-178.8	157.1	0	110.8	E78 V79 D82 K87 A88 Y89 L105	E78-K85 IonicContact OE1-NZ 2.92Å; E78-K85 PolarHBondContact OE1-NZ 3.28Å; V79-K85 HydrophobicContact CG1-CB 4.32Å; V79-K85 CarbonylContact O-C 3.5Å; V79-K85 VanDerWaalsContact O-CB 3.24Å; V79-K85 WeakPolarHBondContact O-CB 3.29Å; D82-K85 HydrophobicContact CB-CB 3.97Å; D82-K85 HydrophobicContact CB-CD 3.95Å; D82-K85 HydrophobicContact CB-CG 3.84Å; D82-K85 PolarHBondContact O-N 3.1Å; D82-K85 VanDerWaalsContact O-N 3.16Å; D82-K85 VanDerWaalsContact OD2-CD 3.31Å; D82-K85 WeakPolarHBondContact OD2-CD 3.14Å; D82-K85 VanDerWaalsContact OD2-CE 3.28Å; D82-K85 WeakPolarHBondContact OD2-CE 3.41Å; D82-K85 IonicContact OD2-NZ 3.99Å; D82-K85 PolarHBondContact OD2-NZ 2.93Å; K85-K87 PolarHBondContact O-N 3.31Å; K85-A88 CarbonylContact O-C 3.55Å; K85-A88 WeakPolarHBondContact O-CA 3.46Å; K85-A88 WeakPolarHBondContact O-CB 3.33Å; K85-A88 PolarHBondContact O-N 2.76Å; K85-A88 VanDerWaalsContact O-N 3.12Å; K85-Y89 WeakPolarHBondContact O-CB 3.42Å; K85-Y89 PolarHBondContact O-N 3.26Å; K85-L105 HydrophobicContact CB-CD2 4.44Å; K85-L105 HydrophobicContact CD-CD2 3.75Å; K85-L105 HydrophobicContact CG-CD1 4.26Å; K85-L105 HydrophobicContact CG-CD2 3.89Å
86	R	87.2	Confident	84.4	Confident	43 Å²	43	67.3 Å²	67.3	16%	0.162	34%	0.335	C	S	.	.	H	α-helix	trans	-60.3	-42.9	174	-177.1	170.9	176	170.8	-6	112.5	E24 S26 V79 L80 D82 A88 Y89 N90	E24-R86 PolarHBondContact O-NH2 2.88Å; S26-R86 PolarHBondContact O-NH1 3.42Å; S26-R86 PolarHBondContact O-NH2 3.06Å; V79-R86 PolarHBondContact O-N 2.91Å; V79-R86 VanDerWaalsContact O-N 3.09Å; L80-R86 HydrophobicContact CD2-CG 4.09Å; D82-R86 WeakPolarHBondContact O-CB 3.45Å; D82-R86 PolarHBondContact O-N 2.96Å; R86-A88 VanDerWaalsContact C-N 3.32Å; R86-A88 PolarHBondContact O-N 3.5Å; R86-Y89 PolarHBondContact O-N 3.09Å; R86-N90 PolarHBondContact O-N 3.3Å
87	K	86.5	Confident	83.4	Confident	164 Å²	164	69.9 Å²	69.9	71%	0.713	35%	0.351	S	S	*	.	H	α-helix	trans	-62.6	-41.7	173.4	-174.7	-179.9	179.6	-177.2	0	111.3	P83 E84 K85 Y89 N90 A91	P83-K87 WeakPolarHBondContact O-CB 3.27Å; P83-K87 PolarHBondContact O-N 2.9Å; E84-K87 PolarHBondContact O-N 3.03Å; K85-K87 PolarHBondContact O-N 3.31Å; K87-Y89 VanDerWaalsContact C-N 3.34Å; K87-N90 PolarHBondContact O-N 3.4Å; K87-A91 PolarHBondContact O-N 3.42Å
88	A	84.8	Confident	82.7	Confident	6 Å²	6	77.1 Å²	77.1	5%	0.05	38%	0.382	C	S	.	.	H	α-helix	trans	-64.3	-40	177.9	0	0	0	0	0	111.3	E84 K85 R86 A91 W92 F101 W104 L105	E84-A88 WeakPolarHBondContact O-CB 3.21Å; E84-A88 PolarHBondContact O-N 3.19Å; K85-A88 CarbonylContact O-C 3.55Å; K85-A88 WeakPolarHBondContact O-CA 3.46Å; K85-A88 WeakPolarHBondContact O-CB 3.33Å; K85-A88 PolarHBondContact O-N 2.76Å; K85-A88 VanDerWaalsContact O-N 3.12Å; R86-A88 VanDerWaalsContact C-N 3.32Å; R86-A88 PolarHBondContact O-N 3.5Å; A88-A91 WeakPolarHBondContact O-CB 3.37Å; A88-A91 PolarHBondContact O-N 3.19Å; A88-W92 WeakPolarHBondContact O-CB 3.2Å; A88-W92 PolarHBondContact O-N 3.43Å; A88-F101 HydrophobicContact CB-CE2 4.34Å; A88-F101 HydrophobicContact CB-CZ 4.45Å; A88-W104 HydrophobicContact CB-CH2 3.89Å; A88-W104 HydrophobicContact CB-CZ3 3.54Å; A88-L105 HydrophobicContact CB-CD1 4.31Å
89	Y	85.9	Confident	82.2	Confident	2 Å²	2	75.6 Å²	75.6	1%	0.008	38%	0.376	C	S	.	.	H	α-helix	trans	-61.6	-47.2	174.2	-176.6	-114.9	0	0	0	112.2	N14 D15 Y16 Y17 V79 L80 K85 R86 K87 A91 W92 R93 F101	N14-Y89 PolarHBondContact O-OH 3.29Å; D15-Y89 WeakPolarHBondContact CA-OH 3.43Å; D15-Y89 PolarHBondContact OD1-OH 2.75Å; Y16-Y89 HydrophobicContact CD2-CD1 4.24Å; Y16-Y89 AromaticContact CD2-CD2 3.52Å; Y16-Y89 HydrophobicContact CD2-CD2 3.52Å; Y16-Y89 AromaticContact CD2-CE1 3.94Å; Y16-Y89 HydrophobicContact CD2-CE1 3.94Å; Y16-Y89 AromaticContact CD2-CE2 3.2Å; Y16-Y89 HydrophobicContact CD2-CE2 3.2Å; Y16-Y89 HydrophobicContact CD2-CG 4.03Å; Y16-Y89 AromaticContact CD2-CZ 3.42Å; Y16-Y89 VanDerWaalsContact CD2-CZ 3.42Å; Y16-Y89 AromaticContact CE2-CD2 3.57Å; Y16-Y89 HydrophobicContact CE2-CD2 3.57Å; Y16-Y89 AromaticContact CE2-CE2 3.38Å; Y16-Y89 HydrophobicContact CE2-CE2 3.38Å; Y16-Y89 HydrophobicContact CE2-CG 4.42Å; Y16-Y89 HydrophobicContact CG-CE2 4.23Å; Y16-Y89 PolarHBondContact N-OH 3.47Å; Y16-Y89 VanDerWaalsContact N-OH 3.14Å; Y17-Y89 AromaticContact CD2-CE1 3.86Å; Y17-Y89 HydrophobicContact CD2-CE1 3.86Å; Y17-Y89 AromaticContact CE2-CD1 3.82Å; Y17-Y89 HydrophobicContact CE2-CD1 3.82Å; Y17-Y89 AromaticContact CE2-CE1 3.57Å; Y17-Y89 HydrophobicContact CE2-CE1 3.57Å; V79-Y89 HydrophobicContact CG1-CD2 4.42Å; V79-Y89 HydrophobicContact CG1-CG 4.15Å; L80-Y89 HydrophobicContact CD2-CD1 4.32Å; K85-Y89 WeakPolarHBondContact O-CB 3.42Å; K85-Y89 PolarHBondContact O-N 3.26Å; R86-Y89 PolarHBondContact O-N 3.09Å; K87-Y89 VanDerWaalsContact C-N 3.34Å; Y89-A91 VanDerWaalsContact C-N 3.25Å; Y89-A91 PolarHBondContact O-N 3.31Å; Y89-W92 HydrophobicContact CD2-CE3 4.19Å; Y89-W92 AromaticContact CE2-CE3 3.96Å; Y89-W92 HydrophobicContact CE2-CE3 3.96Å; Y89-W92 HydrophobicContact CE2-CZ3 4.01Å; Y89-W92 PolarHBondContact O-N 2.93Å; Y89-R93 VanDerWaalsContact CE1-CD 3.49Å; Y89-R93 HydrophobicContact CE1-CG 4.24Å; Y89-R93 HydrophobicContact CE2-CG 4.34Å; Y89-R93 WeakPolarHBondContact O-CG 3.5Å; Y89-R93 PolarHBondContact O-N 3.35Å; Y89-F101 HydrophobicContact CD2-CB 4.13Å; Y89-F101 AromaticContact CD2-CD1 3.95Å; Y89-F101 HydrophobicContact CD2-CD1 3.95Å; Y89-F101 AromaticContact CD2-CD2 3.6Å; Y89-F101 HydrophobicContact CD2-CD2 3.6Å; Y89-F101 HydrophobicContact CD2-CE1 4.25Å; Y89-F101 AromaticContact CD2-CE2 3.95Å; Y89-F101 HydrophobicContact CD2-CE2 3.95Å; Y89-F101 AromaticContact CD2-CG 3.56Å; Y89-F101 HydrophobicContact CD2-CG 3.56Å; Y89-F101 HydrophobicContact CD2-CZ 4.22Å; Y89-F101 HydrophobicContact CE2-CB 4.27Å; Y89-F101 HydrophobicContact CE2-CD2 4.49Å; Y89-F101 HydrophobicContact CE2-CG 4.16Å; Y89-F101 HydrophobicContact CG-CD2 4.42Å; Y89-F101 HydrophobicContact CG-CE2 4.36Å; Y89-F101 HydrophobicContact CG-CZ 4.48Å; Y89-F101 VanDerWaalsContact N-CE2 3.28Å
90	N	85.5	Confident	81.7	Confident	51 Å²	51	77.6 Å²	77.6	27%	0.273	39%	0.39	S	S	.	.	H	α-helix	trans	-63.1	-32.2	175.8	-69.3	-3.9	0	0	0	112.4	Y17 R86 K87 R94	Y17-N90 PolarHBondContact OH-OD1 3.49Å; Y17-N90 VanDerWaalsContact OH-OD1 3.13Å; R86-N90 PolarHBondContact O-N 3.3Å; K87-N90 PolarHBondContact O-N 3.4Å; N90-R94 WeakPolarHBondContact O-CG 3.05Å; N90-R94 PolarHBondContact O-N 3.27Å
91	A	84.3	Confident	81.2	Confident	47 Å²	47	77.9 Å²	77.9	39%	0.388	39%	0.392	S	S	.	.	H	α-helix	trans	-71.8	-42.8	173.8	0	0	0	0	0	112.1	K87 A88 Y89 R93 R94 C95	K87-A91 PolarHBondContact O-N 3.42Å; A88-A91 WeakPolarHBondContact O-CB 3.37Å; A88-A91 PolarHBondContact O-N 3.19Å; Y89-A91 VanDerWaalsContact C-N 3.25Å; Y89-A91 PolarHBondContact O-N 3.31Å; A91-R93 PolarHBondContact O-N 3Å; A91-R94 WeakPolarHBondContact O-CB 3.47Å; A91-R94 PolarHBondContact O-N 3.47Å; A91-R94 VanDerWaalsContact O-N 3.12Å; A91-C95 PolarHBondContact O-N 2.92Å
92	W	82.5	Confident	80.6	Confident	43 Å²	43	80.8 Å²	80.8	16%	0.163	40%	0.404	C	S	.	.	H	α-helix	trans	-61.2	-41	174.6	176.1	88.4	0	0	0	111.9	A88 Y89 R94 C95 T97 M99 F101 W104	A88-W92 WeakPolarHBondContact O-CB 3.2Å; A88-W92 PolarHBondContact O-N 3.43Å; Y89-W92 HydrophobicContact CD2-CE3 4.19Å; Y89-W92 AromaticContact CE2-CE3 3.96Å; Y89-W92 HydrophobicContact CE2-CE3 3.96Å; Y89-W92 HydrophobicContact CE2-CZ3 4.01Å; Y89-W92 PolarHBondContact O-N 2.93Å; W92-R94 PolarHBondContact O-N 3.19Å; W92-C95 CarbonylContact O-C 3.38Å; W92-C95 PolarHBondContact O-N 2.92Å; W92-T97 PolarHBondContact NE1-OG1 3.04Å; W92-M99 PolarHBondContact NE1-O 3.14Å; W92-F101 HydrophobicContact CB-CD2 3.75Å; W92-F101 HydrophobicContact CB-CE2 4.23Å; W92-F101 HydrophobicContact CD2-CB 3.9Å; W92-F101 HydrophobicContact CD2-CD2 4.05Å; W92-F101 HydrophobicContact CD2-CG 4.47Å; W92-F101 HydrophobicContact CE3-CB 4.03Å; W92-F101 HydrophobicContact CE3-CD2 4.34Å; W92-F101 HydrophobicContact CG-CB 4.39Å; W92-F101 AromaticContact CG-CD2 3.78Å; W92-F101 HydrophobicContact CG-CD2 3.78Å; W92-F101 HydrophobicContact CH2-CB 4.44Å; W92-F101 HydrophobicContact CZ2-CB 4.31Å; W92-F101 HydrophobicContact CZ3-CB 4.3Å; W92-W104 HydrophobicContact CB-CE3 4.43Å; W92-W104 AromaticContact CD1-CG 3.96Å
93	R	79.5	Confident	80	Confident	100 Å²	100	82.2 Å²	82.2	38%	0.377	41%	0.408	S	S	.	.	H	α-helix	trans	-60.3	-27.7	174.2	-74.4	-177.4	69.8	-139.4	14.6	113.6	D15 E24 Y89 A91	D15-R93 IonicContact OD2-NH2 2.76Å; E24-R93 IonicContact OE1-CZ 3.47Å; E24-R93 IonicContact OE1-NH1 3.8Å; E24-R93 PolarHBondContact OE1-NH1 2.8Å; E24-R93 IonicContact OE1-NH2 2.65Å; E24-R93 PolarHBondContact OE1-NH2 2.91Å; E24-R93 IonicContact OE2-NH1 3.49Å; Y89-R93 VanDerWaalsContact CE1-CD 3.49Å; Y89-R93 HydrophobicContact CE1-CG 4.24Å; Y89-R93 HydrophobicContact CE2-CG 4.34Å; Y89-R93 WeakPolarHBondContact O-CG 3.5Å; Y89-R93 PolarHBondContact O-N 3.35Å; A91-R93 PolarHBondContact O-N 3Å
94	R	78.9	Confident	79.7	Confident	219 Å²	219	80.1 Å²	80.1	83%	0.826	39%	0.387	S	S	*	.	H	α-helix	trans	-80.8	-23.3	174.5	-68.6	175.6	179	-170.3	-1.3	112.9	N90 A91 W92	N90-R94 WeakPolarHBondContact O-CG 3.05Å; N90-R94 PolarHBondContact O-N 3.27Å; A91-R94 WeakPolarHBondContact O-CB 3.47Å; A91-R94 PolarHBondContact O-N 3.47Å; A91-R94 VanDerWaalsContact O-N 3.12Å; W92-R94 PolarHBondContact O-N 3.19Å
95	C	74.9	Confident	79	Confident	76 Å²	76	74 Å²	74	51%	0.514	36%	0.36	S	S	.	.	S	Bend	trans	-123.4	84.5	-178.9	-64.6	0	0	0	0	109.2	A91 W92 T97	A91-C95 PolarHBondContact O-N 2.92Å; W92-C95 CarbonylContact O-C 3.38Å; W92-C95 PolarHBondContact O-N 2.92Å; C95-T97 WeakPolarHBondContact O-CG2 3.42Å; C95-T97 PolarHBondContact O-N 3.46Å
96	P	66.7	Low	78.3	Confident	123 Å²	123	77.4 Å²	77.4	80%	0.799	38%	0.379	S	S	*	.			trans	-56.7	108.2	177.6	-19.8	30.6	0	0	0	109.7
97	T	67.1	Low	77.4	Confident	54 Å²	54	81.1 Å²	81.1	33%	0.331	39%	0.393	S	S	.	.			trans	-93.6	158.3	173.2	63.4	0	0	0	0	109.9	W92 C95 M99	W92-T97 PolarHBondContact NE1-OG1 3.04Å; C95-T97 WeakPolarHBondContact O-CG2 3.42Å; C95-T97 PolarHBondContact O-N 3.46Å; T97-M99 PolarHBondContact O-N 2.75Å; T97-M99 VanDerWaalsContact O-N 3.14Å; T97-M99 PolarHBondContact OG1-O 2.63Å; T97-M99 VanDerWaalsContact OG1-O 3.04Å
98	F	75.3	Confident	76.2	Confident	214 Å²	214	77 Å²	77	94%	0.939	38%	0.375	S	S	*	.	S	Bend	trans	-62.7	-14.6	170.7	177.9	-99.6	0	0	0	113.7
99	M	75.4	Confident	74.8	Confident	62 Å²	62	83.8 Å²	83.8	31%	0.305	41%	0.411	S	S	.	.	S	Bend	trans	-100	153.9	-176.9	-58.4	175.4	-161.8	0	0	111.4	W92 T97 E103 R107	W92-M99 PolarHBondContact NE1-O 3.14Å; T97-M99 PolarHBondContact O-N 2.75Å; T97-M99 VanDerWaalsContact O-N 3.14Å; T97-M99 PolarHBondContact OG1-O 2.63Å; T97-M99 VanDerWaalsContact OG1-O 3.04Å; M99-E103 HydrophobicContact CB-CB 4.21Å; M99-R107 VanDerWaalsContact SD-CZ 3.52Å; M99-R107 PolarHBondContact SD-NE 2.97Å
100	S	77.7	Confident	73.2	Confident	50 Å²	50	92.2 Å²	92.2	35%	0.35	45%	0.448	S	S	.	.			trans	-62.1	155.9	168.8	64.9	0	0	0	0	111	E102 E103 W104	S100-E102 PolarHBondContact O-N 3.19Å; S100-E103 WeakPolarHBondContact CB-OE2 3.38Å; S100-E103 PolarHBondContact N-OE2 2.85Å; S100-E103 PolarHBondContact O-N 3.36Å; S100-E103 WeakPolarHBondContact OG-CB 3.43Å; S100-E103 WeakPolarHBondContact OG-CG 3.48Å; S100-E103 PolarHBondContact OG-N 2.94Å; S100-E103 PolarHBondContact OG-OE2 3.3Å; S100-W104 WeakPolarHBondContact O-CB 3.28Å; S100-W104 PolarHBondContact O-N 2.99Å
101	F	77.6	Confident	71.2	Confident	5 Å²	5	91.3 Å²	91.3	2%	0.022	44%	0.442	C	S	.	.	H	α-helix	trans	-56.8	-39.8	177.1	172.5	-99	0	0	0	112.1	Y16 V79 A88 Y89 W92 W104 L105	Y16-F101 HydrophobicContact CD2-CD1 4.49Å; Y16-F101 HydrophobicContact CE2-CB 4.14Å; Y16-F101 AromaticContact CE2-CD1 3.38Å; Y16-F101 HydrophobicContact CE2-CD1 3.38Å; Y16-F101 HydrophobicContact CE2-CE1 4.05Å; Y16-F101 AromaticContact CE2-CG 3.93Å; Y16-F101 HydrophobicContact CE2-CG 3.93Å; Y16-F101 AromaticContact CZ-CD1 3.9Å; V79-F101 HydrophobicContact CB-CE1 3.94Å; V79-F101 HydrophobicContact CG1-CD1 4.07Å; V79-F101 HydrophobicContact CG1-CE1 3.24Å; V79-F101 HydrophobicContact CG1-CZ 3.64Å; V79-F101 HydrophobicContact CG2-CD1 3.93Å; V79-F101 HydrophobicContact CG2-CE1 3.39Å; V79-F101 HydrophobicContact CG2-CZ 4.45Å; A88-F101 HydrophobicContact CB-CE2 4.34Å; A88-F101 HydrophobicContact CB-CZ 4.45Å; Y89-F101 HydrophobicContact CD2-CB 4.13Å; Y89-F101 AromaticContact CD2-CD1 3.95Å; Y89-F101 HydrophobicContact CD2-CD1 3.95Å; Y89-F101 AromaticContact CD2-CD2 3.6Å; Y89-F101 HydrophobicContact CD2-CD2 3.6Å; Y89-F101 HydrophobicContact CD2-CE1 4.25Å; Y89-F101 AromaticContact CD2-CE2 3.95Å; Y89-F101 HydrophobicContact CD2-CE2 3.95Å; Y89-F101 AromaticContact CD2-CG 3.56Å; Y89-F101 HydrophobicContact CD2-CG 3.56Å; Y89-F101 HydrophobicContact CD2-CZ 4.22Å; Y89-F101 HydrophobicContact CE2-CB 4.27Å; Y89-F101 HydrophobicContact CE2-CD2 4.49Å; Y89-F101 HydrophobicContact CE2-CG 4.16Å; Y89-F101 HydrophobicContact CG-CD2 4.42Å; Y89-F101 HydrophobicContact CG-CE2 4.36Å; Y89-F101 HydrophobicContact CG-CZ 4.48Å; Y89-F101 VanDerWaalsContact N-CE2 3.28Å; W92-F101 HydrophobicContact CB-CD2 3.75Å; W92-F101 HydrophobicContact CB-CE2 4.23Å; W92-F101 HydrophobicContact CD2-CB 3.9Å; W92-F101 HydrophobicContact CD2-CD2 4.05Å; W92-F101 HydrophobicContact CD2-CG 4.47Å; W92-F101 HydrophobicContact CE3-CB 4.03Å; W92-F101 HydrophobicContact CE3-CD2 4.34Å; W92-F101 HydrophobicContact CG-CB 4.39Å; W92-F101 AromaticContact CG-CD2 3.78Å; W92-F101 HydrophobicContact CG-CD2 3.78Å; W92-F101 HydrophobicContact CH2-CB 4.44Å; W92-F101 HydrophobicContact CZ2-CB 4.31Å; W92-F101 HydrophobicContact CZ3-CB 4.3Å; F101-W104 HydrophobicContact CD2-CE3 4.06Å; F101-W104 HydrophobicContact CD2-CZ3 4.46Å; F101-W104 AromaticContact CE2-CE3 3.82Å; F101-W104 HydrophobicContact CE2-CE3 3.82Å; F101-W104 AromaticContact CE2-CZ3 3.84Å; F101-W104 HydrophobicContact CE2-CZ3 3.84Å; F101-W104 PolarHBondContact O-N 3.03Å; F101-L105 HydrophobicContact CE1-CB 4.17Å; F101-L105 HydrophobicContact CE1-CD2 3.94Å; F101-L105 HydrophobicContact CE1-CG 4.48Å; F101-L105 HydrophobicContact CZ-CB 4.22Å; F101-L105 HydrophobicContact CZ-CD1 4.11Å; F101-L105 HydrophobicContact CZ-CD2 4.18Å; F101-L105 HydrophobicContact CZ-CG 4.4Å; F101-L105 WeakPolarHBondContact O-CB 3.41Å; F101-L105 PolarHBondContact O-N 3.09Å
102	E	74.5	Confident	69.6	Low	78 Å²	78	92.8 Å²	92.8	36%	0.364	46%	0.462	S	S	.	.	H	α-helix	trans	-65.2	-47	-179.9	-176.1	-177.5	-158.2	0	0	111.7	Q75 S100 W104 L105 L106	Q75-E102 PolarHBondContact NE2-OE1 3.46Å; Q75-E102 PolarHBondContact NE2-OE2 2.86Å; S100-E102 PolarHBondContact O-N 3.19Å; E102-W104 PolarHBondContact O-N 2.92Å; E102-L105 PolarHBondContact O-N 2.77Å; E102-L105 VanDerWaalsContact O-N 3.13Å; E102-L106 HydrophobicContact CG-CD1 4.06Å; E102-L106 HydrophobicContact CG-CG 4.36Å; E102-L106 WeakPolarHBondContact O-CB 3.14Å; E102-L106 WeakPolarHBondContact O-CG 3.28Å; E102-L106 PolarHBondContact O-N 2.87Å
103	E	76.2	Confident	67.9	Low	92 Å²	92	98.5 Å²	98.5	43%	0.43	49%	0.493	S	S	.	.	H	α-helix	trans	-61	-38.1	175.5	-73.1	169.9	121.5	0	0	111.5	M99 S100 R107	M99-E103 HydrophobicContact CB-CB 4.21Å; S100-E103 WeakPolarHBondContact CB-OE2 3.38Å; S100-E103 PolarHBondContact N-OE2 2.85Å; S100-E103 PolarHBondContact O-N 3.36Å; S100-E103 WeakPolarHBondContact OG-CB 3.43Å; S100-E103 WeakPolarHBondContact OG-CG 3.48Å; S100-E103 PolarHBondContact OG-N 2.94Å; S100-E103 PolarHBondContact OG-OE2 3.3Å; E103-R107 VanDerWaalsContact O-CB 3.27Å; E103-R107 WeakPolarHBondContact O-CB 3.41Å; E103-R107 WeakPolarHBondContact O-CG 2.96Å; E103-R107 PolarHBondContact O-N 3.17Å
104	W	78.8	Confident	66.3	Low	55 Å²	55	96.1 Å²	96.1	21%	0.208	49%	0.489	C	S	.	.	H	α-helix	trans	-65.9	-39.9	175.4	-179.5	88.6	0	0	0	111.7	A88 W92 S100 F101 E102 K108	A88-W104 HydrophobicContact CB-CH2 3.89Å; A88-W104 HydrophobicContact CB-CZ3 3.54Å; W92-W104 HydrophobicContact CB-CE3 4.43Å; W92-W104 AromaticContact CD1-CG 3.96Å; S100-W104 WeakPolarHBondContact O-CB 3.28Å; S100-W104 PolarHBondContact O-N 2.99Å; F101-W104 HydrophobicContact CD2-CE3 4.06Å; F101-W104 HydrophobicContact CD2-CZ3 4.46Å; F101-W104 AromaticContact CE2-CE3 3.82Å; F101-W104 HydrophobicContact CE2-CE3 3.82Å; F101-W104 AromaticContact CE2-CZ3 3.84Å; F101-W104 HydrophobicContact CE2-CZ3 3.84Å; F101-W104 PolarHBondContact O-N 3.03Å; E102-W104 PolarHBondContact O-N 2.92Å; W104-K108 PolarHBondContact O-N 3.39Å; W104-K108 VanDerWaalsContact O-N 3.09Å
105	L	73.1	Confident	64.9	Low	26 Å²	26	88.7 Å²	88.7	14%	0.136	47%	0.466	C	S	.	.	H	α-helix	trans	-71.3	-45.2	177.9	-170.8	72.9	0	0	0	112.4	K85 A88 F101 E102 R107 K108	K85-L105 HydrophobicContact CB-CD2 4.44Å; K85-L105 HydrophobicContact CD-CD2 3.75Å; K85-L105 HydrophobicContact CG-CD1 4.26Å; K85-L105 HydrophobicContact CG-CD2 3.89Å; A88-L105 HydrophobicContact CB-CD1 4.31Å; F101-L105 HydrophobicContact CE1-CB 4.17Å; F101-L105 HydrophobicContact CE1-CD2 3.94Å; F101-L105 HydrophobicContact CE1-CG 4.48Å; F101-L105 HydrophobicContact CZ-CB 4.22Å; F101-L105 HydrophobicContact CZ-CD1 4.11Å; F101-L105 HydrophobicContact CZ-CD2 4.18Å; F101-L105 HydrophobicContact CZ-CG 4.4Å; F101-L105 WeakPolarHBondContact O-CB 3.41Å; F101-L105 PolarHBondContact O-N 3.09Å; E102-L105 PolarHBondContact O-N 2.77Å; E102-L105 VanDerWaalsContact O-N 3.13Å; L105-R107 PolarHBondContact O-N 2.71Å; L105-K108 HydrophobicContact CD1-CD 4.39Å; L105-K108 WeakPolarHBondContact O-CA 2.96Å; L105-K108 WeakPolarHBondContact O-CB 2.97Å; L105-K108 PolarHBondContact O-N 3.46Å
106	L	72.7	Confident	63.6	Low	115 Å²	115	92.1 Å²	92.1	60%	0.602	48%	0.479	S	S	*	.	H	α-helix	trans	-61.5	-36.4	175.7	-72.7	173.6	0	0	0	111.4	E102 K108	E102-L106 HydrophobicContact CG-CD1 4.06Å; E102-L106 HydrophobicContact CG-CG 4.36Å; E102-L106 WeakPolarHBondContact O-CB 3.14Å; E102-L106 WeakPolarHBondContact O-CG 3.28Å; E102-L106 PolarHBondContact O-N 2.87Å; L106-K108 VanDerWaalsContact C-N 3.29Å; L106-K108 PolarHBondContact O-N 3.42Å
107	R	68.3	Low	62.6	Low	121 Å²	121	91.6 Å²	91.6	46%	0.457	47%	0.469	S	S	.	.	H	α-helix	trans	-67.1	-30.5	171.9	-74.9	176.3	-168.6	-129.2	6.9	111.5	M99 E103 L105 D109 F110 I111	M99-R107 VanDerWaalsContact SD-CZ 3.52Å; M99-R107 PolarHBondContact SD-NE 2.97Å; E103-R107 VanDerWaalsContact O-CB 3.27Å; E103-R107 WeakPolarHBondContact O-CB 3.41Å; E103-R107 WeakPolarHBondContact O-CG 2.96Å; E103-R107 PolarHBondContact O-N 3.17Å; L105-R107 PolarHBondContact O-N 2.71Å; R107-D109 VanDerWaalsContact C-N 3.26Å; R107-D109 PolarHBondContact O-N 3.36Å; R107-F110 CarbonylContact O-C 3.59Å; R107-F110 WeakPolarHBondContact O-CA 3.38Å; R107-F110 WeakPolarHBondContact O-CB 2.96Å; R107-F110 PolarHBondContact O-N 3.24Å; R107-I111 HydrophobicContact CB-CD1 3.65Å; R107-I111 HydrophobicContact CB-CG1 4.22Å; R107-I111 WeakPolarHBondContact O-CA 2.91Å; R107-I111 WeakPolarHBondContact O-CB 3.39Å; R107-I111 WeakPolarHBondContact O-CG1 3.04Å; R107-I111 PolarHBondContact O-N 2.9Å
108	K	60.5	Low	61.7	Low	78 Å²	78	94 Å²	94	34%	0.339	48%	0.48	S	S	.	.	H	α-helix	trans	-55.4	-38.3	178.2	-170.6	177.7	168.2	177.2	0	113.1	W104 L105 L106 F110 I111 G112	W104-K108 PolarHBondContact O-N 3.39Å; W104-K108 VanDerWaalsContact O-N 3.09Å; L105-K108 HydrophobicContact CD1-CD 4.39Å; L105-K108 WeakPolarHBondContact O-CA 2.96Å; L105-K108 WeakPolarHBondContact O-CB 2.97Å; L105-K108 PolarHBondContact O-N 3.46Å; L106-K108 VanDerWaalsContact C-N 3.29Å; L106-K108 PolarHBondContact O-N 3.42Å; K108-F110 VanDerWaalsContact C-N 3.27Å; K108-F110 PolarHBondContact O-N 3.43Å; K108-I111 CarbonylContact O-C 3.41Å; K108-I111 VanDerWaalsContact O-C 3.3Å; K108-I111 PolarHBondContact O-N 3.22Å; K108-G112 PolarHBondContact O-N 2.92Å
109	D	56.1	Low	60.3	Low	148 Å²	148	87.9 Å²	87.9	79%	0.791	46%	0.462	S	S	*	.	H	α-helix	trans	-68.5	-27.7	175.7	-69.9	-24.3	0	0	0	112.4	R107	R107-D109 VanDerWaalsContact C-N 3.26Å; R107-D109 PolarHBondContact O-N 3.36Å
110	F	50.7	Low	58.8	Low	179 Å²	179	89 Å²	89	79%	0.785	48%	0.476	S	S	*	.	H	α-helix	trans	-82.9	-21.9	169.7	-143.5	-94.6	0	0	0	112.7	R107 K108	R107-F110 CarbonylContact O-C 3.59Å; R107-F110 WeakPolarHBondContact O-CA 3.38Å; R107-F110 WeakPolarHBondContact O-CB 2.96Å; R107-F110 PolarHBondContact O-N 3.24Å; K108-F110 VanDerWaalsContact C-N 3.27Å; K108-F110 PolarHBondContact O-N 3.43Å
111	I	45.2	Very low	57.1	Low	32 Å²	32	93.7 Å²	93.7	16%	0.164	49%	0.49	C	S	.	.			trans	-105.7	11.8	-170.5	-66.8	-177.2	0	0	0	112.1	R107 K108 M113 V114 N115	R107-I111 HydrophobicContact CB-CD1 3.65Å; R107-I111 HydrophobicContact CB-CG1 4.22Å; R107-I111 WeakPolarHBondContact O-CA 2.91Å; R107-I111 WeakPolarHBondContact O-CB 3.39Å; R107-I111 WeakPolarHBondContact O-CG1 3.04Å; R107-I111 PolarHBondContact O-N 2.9Å; K108-I111 CarbonylContact O-C 3.41Å; K108-I111 VanDerWaalsContact O-C 3.3Å; K108-I111 PolarHBondContact O-N 3.22Å; I111-M113 PolarHBondContact O-N 3.13Å; I111-V114 HydrophobicContact CB-CG2 3.79Å; I111-V114 HydrophobicContact CD1-CG2 3.92Å; I111-V114 HydrophobicContact CG1-CG2 3.45Å; I111-V114 VanDerWaalsContact CG1-CG2 3.45Å; I111-V114 HydrophobicContact CG2-CB 4.4Å; I111-V114 HydrophobicContact CG2-CG2 3.47Å; I111-V114 VanDerWaalsContact CG2-CG2 3.47Å; I111-V114 PolarHBondContact O-N 3.39Å; I111-N115 HydrophobicContact CG2-CB 3.73Å; I111-N115 PolarHBondContact O-N 3.08Å; I111-N115 VanDerWaalsContact O-N 3.14Å
112	G	50.6	Low	55.3	Low	78 Å²	78	102.5 Å²	102.5	80%	0.804	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	-17.1	155.3	0	0	0	0	0	113	K108	K108-G112 PolarHBondContact O-N 2.92Å
113	M	45.1	Very low	53.9	Low	163 Å²	163	104.6 Å²	104.6	80%	0.803	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-14	172.6	-81.3	-173.9	-73.1	0	0	117.4	I111	I111-M113 PolarHBondContact O-N 3.13Å
114	V	47.3	Very low	52.3	Low	51 Å²	51	110.5 Å²	110.5	31%	0.309	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-130.2	3.9	-175.2	-54.7	0	0	0	0	115.6	I111 D116 L117 L118	I111-V114 HydrophobicContact CB-CG2 3.79Å; I111-V114 HydrophobicContact CD1-CG2 3.92Å; I111-V114 HydrophobicContact CG1-CG2 3.45Å; I111-V114 VanDerWaalsContact CG1-CG2 3.45Å; I111-V114 HydrophobicContact CG2-CB 4.4Å; I111-V114 HydrophobicContact CG2-CG2 3.47Å; I111-V114 VanDerWaalsContact CG2-CG2 3.47Å; I111-V114 PolarHBondContact O-N 3.39Å; V114-D116 PolarHBondContact O-N 2.71Å; V114-L117 PolarHBondContact O-N 3.11Å; V114-L118 HydrophobicContact CG2-CD1 3.93Å; V114-L118 HydrophobicContact CG2-CG 4.45Å; V114-L118 PolarHBondContact O-N 3.09Å
115	N	48.8	Very low	50.6	Low	63 Å²	63	114.6 Å²	114.6	34%	0.337	61%	0.612	S	S	.	*	H	α-helix	trans	-69.9	-19.1	174.2	-132.2	-13	0	0	0	112	I111 L117	I111-N115 HydrophobicContact CG2-CB 3.73Å; I111-N115 PolarHBondContact O-N 3.08Å; I111-N115 VanDerWaalsContact O-N 3.14Å; N115-L117 VanDerWaalsContact C-N 3.26Å; N115-L117 PolarHBondContact O-N 3.3Å
116	D	48	Very low	49.5	Very low	148 Å²	148	119 Å²	119	79%	0.791	64%	0.636	S	S	*	*	H	α-helix	trans	-70.8	-18.1	166.3	-86.6	-13.6	0	0	0	113.2	V114	V114-D116 PolarHBondContact O-N 2.71Å
117	L	46	Very low	48.3	Very low	112 Å²	112	119.2 Å²	119.2	59%	0.586	64%	0.638	S	S	*	*	H	α-helix	trans	-110.9	-38.1	-174	-76	165.5	0	0	0	113.9	V114 N115 S120 F121	V114-L117 PolarHBondContact O-N 3.11Å; N115-L117 VanDerWaalsContact C-N 3.26Å; N115-L117 PolarHBondContact O-N 3.3Å; L117-S120 PolarHBondContact O-N 2.93Å; L117-F121 WeakPolarHBondContact O-CB 3.28Å; L117-F121 PolarHBondContact O-N 3.44Å
118	L	47.2	Very low	47.1	Very low	105 Å²	105	119.1 Å²	119.1	55%	0.55	65%	0.648	S	S	.	*	H	α-helix	trans	-82.3	-31.5	-171.6	-68.4	177.4	0	0	0	114.5	V114 S120 F121	V114-L118 HydrophobicContact CG2-CD1 3.93Å; V114-L118 HydrophobicContact CG2-CG 4.45Å; V114-L118 PolarHBondContact O-N 3.09Å; L118-S120 VanDerWaalsContact C-N 3.29Å; L118-F121 PolarHBondContact O-N 3.4Å
119	C	47.4	Very low	46.4	Very low	84 Å²	84	121.5 Å²	121.5	57%	0.568	67%	0.666	S	S	*	*	H	α-helix	trans	-70.5	-28.2	169.3	-90	0	0	0	0	112.2
120	S	42.1	Very low	45.8	Very low	85 Å²	85	119.9 Å²	119.9	59%	0.594	66%	0.658	S	S	*	*	H	α-helix	trans	-76.5	-28.6	173.6	-101	0	0	0	0	113.2	L117 L118	L117-S120 PolarHBondContact O-N 2.93Å; L118-S120 VanDerWaalsContact C-N 3.29Å
121	F	43.5	Very low	45.4	Very low	150 Å²	150	115.9 Å²	115.9	66%	0.658	65%	0.65	S	S	*	*	H	α-helix	trans	-77.5	-32.7	-173.8	-146.2	-96.5	0	0	0	113.6	L117 L118 V123 Y124	L117-F121 WeakPolarHBondContact O-CB 3.28Å; L117-F121 PolarHBondContact O-N 3.44Å; L118-F121 PolarHBondContact O-N 3.4Å; F121-V123 PolarHBondContact O-N 3.44Å; F121-Y124 PolarHBondContact O-N 3.2Å
122	F	39.3	Very low	45.4	Very low	189 Å²	189	121.9 Å²	121.9	83%	0.829	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-11.1	-176.8	-142.6	-96.1	0	0	0	114.4
123	V	46.1	Very low	45	Very low	123 Å²	123	125.3 Å²	125.3	75%	0.745	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-9.3	173.3	179.4	0	0	0	0	111.7	F121	F121-V123 PolarHBondContact O-N 3.44Å
124	Y	41.9	Very low	45	Very low	215 Å²	215	122.2 Å²	122.2	84%	0.843	67%	0.665	S	S	*	*			trans	-126.8	26.3	-172.7	-120.3	-81.6	0	0	0	115.7	F121	F121-Y124 PolarHBondContact O-N 3.2Å
125	A	43	Very low	44.8	Very low	141 Å²	141	128.6 Å²	128.6	100%	1.165	70%	0.697	S	S	*	*			trans	-131.6	0	165.6	0	0	0	0	0	109.9

Retrieved 125 of 125 residues in 80 ms (Link to these results)

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