A0A077ZLB5_TRITR Loading...

HTH marR-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZLB5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 166 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	74	Confident	85.2	Confident	121 Å²	121	84.8 Å²	84.8	60%	0.596	40%	0.403	S	S	*	.				0	-55.2	0	-60.3	-166	-169.1	0	0	116	S4 N5 D6 V7 E162	M1-S4 VanDerWaalsContact C-OG 3.29Å; M1-S4 WeakPolarHBondContact CA-OG 3.41Å; M1-S4 PolarHBondContact N-OG 2.62Å; M1-S4 PolarHBondContact O-OG 3.19Å; M1-N5 PolarHBondContact O-N 3.48Å; M1-D6 PolarHBondContact O-N 3.46Å; M1-V7 HydrophobicContact CB-CB 4.17Å; M1-V7 HydrophobicContact CB-CG2 4.32Å; M1-V7 PolarHBondContact O-N 3.42Å; M1-V7 HydrophobicContact SD-CG2 4.42Å; M1-E162 PolarHBondContact N-OE1 3.23Å; M1-E162 VanDerWaalsContact N-OE1 3.1Å
2	E	79.9	Confident	85.2	Confident	78 Å²	78	81.7 Å²	81.7	36%	0.364	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-48.1	179.8	-170	167.4	-158.2	0	0	111.5	S4 N5 R9	E2-S4 PolarHBondContact O-N 3.14Å; E2-N5 WeakPolarHBondContact O-CA 3.06Å; E2-N5 PolarHBondContact O-N 2.94Å; E2-R9 WeakPolarHBondContact OE1-CB 3.46Å; E2-R9 WeakPolarHBondContact OE1-CG 3.45Å; E2-R9 WeakPolarHBondContact OE2-CD 3.31Å; E2-R9 IonicContact OE2-CZ 2.82Å; E2-R9 VanDerWaalsContact OE2-CZ 3.29Å; E2-R9 IonicContact OE2-NE 3.2Å; E2-R9 PolarHBondContact OE2-NE 2.92Å; E2-R9 IonicContact OE2-NH1 2.88Å; E2-R9 PolarHBondContact OE2-NH1 3.32Å
3	K	82.8	Confident	85	Confident	137 Å²	137	89.2 Å²	89.2	60%	0.596	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-35.6	171.3	-78.2	-179.9	176.8	154.3	0	113.8	N5 D165	K3-N5 PolarHBondContact O-N 2.88Å; K3-D165 WeakPolarHBondContact CD-OD2 3.5Å; K3-D165 VanDerWaalsContact CE-CG 3.47Å; K3-D165 VanDerWaalsContact CE-OD1 3.27Å; K3-D165 WeakPolarHBondContact CE-OD1 3.37Å; K3-D165 WeakPolarHBondContact CE-OD2 3.39Å; K3-D165 VanDerWaalsContact CG-OD2 3.23Å; K3-D165 WeakPolarHBondContact CG-OD2 3.5Å; K3-D165 IonicContact NZ-OD1 2.77Å; K3-D165 PolarHBondContact NZ-OD1 2.77Å; K3-D165 IonicContact NZ-OD2 3.26Å; K3-D165 PolarHBondContact NZ-OD2 3.22Å
4	S	84.4	Confident	84.6	Confident	32 Å²	32	95 Å²	95	22%	0.224	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-1	178.4	57.9	0	0	0	0	113.2	M1 E2 D6 K26	M1-S4 VanDerWaalsContact C-OG 3.29Å; M1-S4 WeakPolarHBondContact CA-OG 3.41Å; M1-S4 PolarHBondContact N-OG 2.62Å; M1-S4 PolarHBondContact O-OG 3.19Å; E2-S4 PolarHBondContact O-N 3.14Å; S4-D6 WeakPolarHBondContact CB-OD2 3.48Å; S4-D6 PolarHBondContact O-N 3.48Å; S4-D6 VanDerWaalsContact OG-CG 3.26Å; S4-D6 PolarHBondContact OG-OD2 2.96Å; S4-K26 WeakPolarHBondContact O-CD 3.45Å; S4-K26 WeakPolarHBondContact O-CE 3.46Å; S4-K26 PolarHBondContact O-NZ 3.49Å
5	N	86	Confident	84.6	Confident	110 Å²	110	89.9 Å²	89.9	59%	0.588	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	26.1	-172.3	-70.2	-50.8	0	0	0	113.7	M1 E2 K3 T24 K26	M1-N5 PolarHBondContact O-N 3.48Å; E2-N5 WeakPolarHBondContact O-CA 3.06Å; E2-N5 PolarHBondContact O-N 2.94Å; K3-N5 PolarHBondContact O-N 2.88Å; N5-T24 WeakPolarHBondContact O-CB 3.43Å; N5-T24 WeakPolarHBondContact O-CG2 3.44Å; N5-T24 PolarHBondContact O-OG1 3.22Å; N5-K26 HydrophobicContact CB-CD 4.41Å
6	D	88.5	Confident	84.5	Confident	7 Å²	7	94.5 Å²	94.5	4%	0.037	44%	0.443	C	S	.	.	S	Bend	trans	-82.6	-25.6	174.5	-63.2	-33.8	0	0	0	111.1	M1 S4 T24 G27 K30	M1-D6 PolarHBondContact O-N 3.46Å; S4-D6 WeakPolarHBondContact CB-OD2 3.48Å; S4-D6 PolarHBondContact O-N 3.48Å; S4-D6 VanDerWaalsContact OG-CG 3.26Å; S4-D6 PolarHBondContact OG-OD2 2.96Å; D6-T24 VanDerWaalsContact C-OG1 3.3Å; D6-T24 WeakPolarHBondContact CA-OG1 3.05Å; D6-T24 PolarHBondContact O-N 3.39Å; D6-T24 PolarHBondContact O-OG1 3.25Å; D6-T24 VanDerWaalsContact O-OG1 3.09Å; D6-G27 VanDerWaalsContact O-CA 3.31Å; D6-G27 WeakPolarHBondContact O-CA 3.22Å; D6-K30 WeakPolarHBondContact OD2-CD 3.28Å; D6-K30 IonicContact OD2-NZ 3.16Å; D6-K30 PolarHBondContact OD2-NZ 3.01Å
7	V	91.6	Very high	84.4	Confident	17 Å²	17	98.3 Å²	98.3	10%	0.103	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146	-179.8	152.1	0	0	0	0	109.8	M1 V21 F22 L23	M1-V7 HydrophobicContact CB-CB 4.17Å; M1-V7 HydrophobicContact CB-CG2 4.32Å; M1-V7 PolarHBondContact O-N 3.42Å; M1-V7 HydrophobicContact SD-CG2 4.42Å; V7-V21 HydrophobicContact CB-CG1 4.33Å; V7-V21 HydrophobicContact CG1-CB 4.49Å; V7-V21 HydrophobicContact CG1-CG1 3.12Å; V7-V21 HydrophobicContact CG2-CG1 4.27Å; V7-F22 CarbonylContact C-O 3.54Å; V7-F22 VanDerWaalsContact CA-O 3.24Å; V7-F22 WeakPolarHBondContact CA-O 3.43Å; V7-L23 HydrophobicContact CG2-CD1 4Å
8	L	89	Confident	84.3	Confident	80 Å²	80	94.9 Å²	94.9	42%	0.419	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.1	172.8	-175.3	86	0	0	0	109.5	K10 F22 T24	L8-K10 HydrophobicContact CD2-CD 4.1Å; L8-K10 HydrophobicContact CD2-CG 3.75Å; L8-K10 HydrophobicContact CG-CG 4.35Å; L8-F22 PolarHBondContact N-O 3.33Å; L8-F22 PolarHBondContact O-N 2.95Å; L8-T24 HydrophobicContact CB-CG2 4Å
9	R	88.6	Confident	84.4	Confident	110 Å²	110	96.5 Å²	96.5	42%	0.415	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130	168.6	-61.4	-172	172.7	146.3	-13	110.1	E2 R20 V21	E2-R9 WeakPolarHBondContact OE1-CB 3.46Å; E2-R9 WeakPolarHBondContact OE1-CG 3.45Å; E2-R9 WeakPolarHBondContact OE2-CD 3.31Å; E2-R9 IonicContact OE2-CZ 2.82Å; E2-R9 VanDerWaalsContact OE2-CZ 3.29Å; E2-R9 IonicContact OE2-NE 3.2Å; E2-R9 PolarHBondContact OE2-NE 2.92Å; E2-R9 IonicContact OE2-NH1 2.88Å; E2-R9 PolarHBondContact OE2-NH1 3.32Å; R9-R20 CarbonylContact C-O 3.52Å; R9-R20 WeakPolarHBondContact CA-O 3.43Å; R9-V21 HydrophobicContact CG-CG2 4.25Å
10	K	86.3	Confident	84.4	Confident	125 Å²	125	98.2 Å²	98.2	54%	0.543	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.8	170	-60	-172.5	175.7	-175.9	0	110	L8 K19 R20 F22	L8-K10 HydrophobicContact CD2-CD 4.1Å; L8-K10 HydrophobicContact CD2-CG 3.75Å; L8-K10 HydrophobicContact CG-CG 4.35Å; K10-K19 WeakPolarHBondContact O-CA 3.25Å; K10-R20 PolarHBondContact N-O 2.87Å; K10-R20 PolarHBondContact O-N 3.46Å; K10-F22 HydrophobicContact CB-CD2 4.44Å; K10-F22 HydrophobicContact CB-CE2 3.98Å; K10-F22 HydrophobicContact CD-CD2 4.38Å; K10-F22 HydrophobicContact CD-CE2 4.14Å; K10-F22 HydrophobicContact CG-CD2 4.17Å; K10-F22 HydrophobicContact CG-CE2 4.09Å
11	E	86.5	Confident	84.5	Confident	116 Å²	116	97.8 Å²	97.8	54%	0.542	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	143.2	169.6	-65.1	-178.1	179.7	0	0	109.7	I18 K19	E11-I18 WeakPolarHBondContact CA-O 3.48Å; E11-K19 HydrophobicContact CG-CG 4.34Å
12	E	84.6	Confident	85.2	Confident	47 Å²	47	96.5 Å²	96.5	22%	0.22	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	138.8	173.7	-168.9	162.3	-128.6	0	0	110.6	H14 D15 I18 R20	E12-H14 PolarHBondContact O-N 2.97Å; E12-D15 CarbonylContact O-C 3.57Å; E12-D15 PolarHBondContact O-N 3.22Å; E12-I18 HydrophobicContact CB-CB 3.92Å; E12-I18 HydrophobicContact CB-CG2 4.13Å; E12-I18 PolarHBondContact N-O 3.48Å; E12-I18 WeakPolarHBondContact OE2-CB 3.46Å; E12-I18 WeakPolarHBondContact OE2-CD1 3.38Å; E12-I18 WeakPolarHBondContact OE2-CG2 3.23Å; E12-R20 IonicContact OE1-CZ 2.74Å; E12-R20 VanDerWaalsContact OE1-CZ 3.28Å; E12-R20 IonicContact OE1-NE 2.87Å; E12-R20 PolarHBondContact OE1-NE 3.32Å; E12-R20 IonicContact OE1-NH2 3.77Å; E12-R20 PolarHBondContact OE1-NH2 3.32Å
13	E	83.1	Confident	85.7	Confident	179 Å²	179	96.5 Å²	96.5	84%	0.836	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-32.6	-174.3	-169.4	172.2	-177	0	0	112.7
14	H	79.5	Confident	86.2	Confident	171 Å²	171	91.5 Å²	91.5	79%	0.792	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-12.7	-175.6	-56.1	-52	0	0	0	114.3	E12	E12-H14 PolarHBondContact O-N 2.97Å
15	D	83.8	Confident	86.5	Confident	19 Å²	19	94.5 Å²	94.5	10%	0.102	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	104.3	176.2	-173.1	-2.1	0	0	0	110.7	E12 R17 I18 R93	E12-D15 CarbonylContact O-C 3.57Å; E12-D15 PolarHBondContact O-N 3.22Å; D15-R17 PolarHBondContact O-N 3.06Å; D15-R17 WeakPolarHBondContact OD1-CB 3.24Å; D15-R17 VanDerWaalsContact OD1-CG 3.27Å; D15-R17 WeakPolarHBondContact OD1-CG 3.35Å; D15-R17 IonicContact OD1-CZ 3.19Å; D15-R17 PolarHBondContact OD1-N 3.25Å; D15-R17 IonicContact OD1-NE 3.75Å; D15-R17 PolarHBondContact OD1-NE 3.43Å; D15-R17 IonicContact OD1-NH2 3.28Å; D15-R17 IonicContact OD2-CZ 3.88Å; D15-R17 IonicContact OD2-NE 3.43Å; D15-R17 PolarHBondContact OD2-NE 2.74Å; D15-R17 IonicContact OD2-NH2 2.7Å; D15-R17 PolarHBondContact OD2-NH2 2.89Å; D15-I18 HydrophobicContact CB-CB 4.48Å; D15-I18 HydrophobicContact CB-CD1 3.74Å; D15-I18 HydrophobicContact CB-CG1 3.89Å; D15-I18 WeakPolarHBondContact O-CB 3.46Å; D15-I18 PolarHBondContact O-N 2.86Å; D15-R93 IonicContact OD2-NH2 3.72Å; D15-R93 PolarHBondContact OD2-NH2 3.2Å; D15-R93 VanDerWaalsContact OD2-NH2 3.16Å
16	K	83.3	Confident	86.7	Confident	163 Å²	163	94.8 Å²	94.8	71%	0.709	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63	-12.3	177.4	-64.4	-175.2	178.9	-177.7	0	113.7	I18	K16-I18 VanDerWaalsContact C-N 3.26Å
17	R	83.7	Confident	86.7	Confident	159 Å²	159	94.6 Å²	94.6	60%	0.6	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	-13.7	173	-53.2	171.3	-62.4	172.2	7.3	111.8	D15	D15-R17 PolarHBondContact O-N 3.06Å; D15-R17 WeakPolarHBondContact OD1-CB 3.24Å; D15-R17 VanDerWaalsContact OD1-CG 3.27Å; D15-R17 WeakPolarHBondContact OD1-CG 3.35Å; D15-R17 IonicContact OD1-CZ 3.19Å; D15-R17 PolarHBondContact OD1-N 3.25Å; D15-R17 IonicContact OD1-NE 3.75Å; D15-R17 PolarHBondContact OD1-NE 3.43Å; D15-R17 IonicContact OD1-NH2 3.28Å; D15-R17 IonicContact OD2-CZ 3.88Å; D15-R17 IonicContact OD2-NE 3.43Å; D15-R17 PolarHBondContact OD2-NE 2.74Å; D15-R17 IonicContact OD2-NH2 2.7Å; D15-R17 PolarHBondContact OD2-NH2 2.89Å
18	I	81.2	Confident	86.6	Confident	38 Å²	38	98.9 Å²	98.9	20%	0.195	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	119.8	179.1	-57.1	177.9	0	0	0	108.9	E11 E12 D15 K16 R20	E11-I18 WeakPolarHBondContact CA-O 3.48Å; E12-I18 HydrophobicContact CB-CB 3.92Å; E12-I18 HydrophobicContact CB-CG2 4.13Å; E12-I18 PolarHBondContact N-O 3.48Å; E12-I18 WeakPolarHBondContact OE2-CB 3.46Å; E12-I18 WeakPolarHBondContact OE2-CD1 3.38Å; E12-I18 WeakPolarHBondContact OE2-CG2 3.23Å; D15-I18 HydrophobicContact CB-CB 4.48Å; D15-I18 HydrophobicContact CB-CD1 3.74Å; D15-I18 HydrophobicContact CB-CG1 3.89Å; D15-I18 WeakPolarHBondContact O-CB 3.46Å; D15-I18 PolarHBondContact O-N 2.86Å; K16-I18 VanDerWaalsContact C-N 3.26Å; I18-R20 HydrophobicContact CG2-CG 4.44Å
19	K	86.1	Confident	86.6	Confident	124 Å²	124	99.9 Å²	99.9	54%	0.539	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	115.2	170.7	-66.4	-175.5	179.2	-175.5	0	108.9	K10 E11	K10-K19 WeakPolarHBondContact O-CA 3.25Å; E11-K19 HydrophobicContact CG-CG 4.34Å
20	R	84.9	Confident	86.6	Confident	131 Å²	131	98.4 Å²	98.4	49%	0.494	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	134.6	172.9	-68.4	179	179	-99.7	1.2	109	R9 K10 E12 I18 F22	R9-R20 CarbonylContact C-O 3.52Å; R9-R20 WeakPolarHBondContact CA-O 3.43Å; K10-R20 PolarHBondContact N-O 2.87Å; K10-R20 PolarHBondContact O-N 3.46Å; E12-R20 IonicContact OE1-CZ 2.74Å; E12-R20 VanDerWaalsContact OE1-CZ 3.28Å; E12-R20 IonicContact OE1-NE 2.87Å; E12-R20 PolarHBondContact OE1-NE 3.32Å; E12-R20 IonicContact OE1-NH2 3.77Å; E12-R20 PolarHBondContact OE1-NH2 3.32Å; I18-R20 HydrophobicContact CG2-CG 4.44Å; R20-F22 HydrophobicContact CB-CD2 4.36Å; R20-F22 HydrophobicContact CB-CE2 3.44Å; R20-F22 VanDerWaalsContact CB-CE2 3.44Å; R20-F22 HydrophobicContact CB-CZ 3.65Å
21	V	87.5	Confident	86.5	Confident	90 Å²	90	94.4 Å²	94.4	55%	0.545	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122.7	-176.6	-172.3	0	0	0	0	108.2	V7 R9	V7-V21 HydrophobicContact CB-CG1 4.33Å; V7-V21 HydrophobicContact CG1-CB 4.49Å; V7-V21 HydrophobicContact CG1-CG1 3.12Å; V7-V21 HydrophobicContact CG2-CG1 4.27Å; R9-V21 HydrophobicContact CG-CG2 4.25Å
22	F	88.9	Confident	86.3	Confident	94 Å²	94	95.8 Å²	95.8	41%	0.412	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.5	-177.7	-59.9	-87.1	0	0	0	110.5	V7 L8 K10 R20	V7-F22 CarbonylContact C-O 3.54Å; V7-F22 VanDerWaalsContact CA-O 3.24Å; V7-F22 WeakPolarHBondContact CA-O 3.43Å; L8-F22 PolarHBondContact N-O 3.33Å; L8-F22 PolarHBondContact O-N 2.95Å; K10-F22 HydrophobicContact CB-CD2 4.44Å; K10-F22 HydrophobicContact CB-CE2 3.98Å; K10-F22 HydrophobicContact CD-CD2 4.38Å; K10-F22 HydrophobicContact CD-CE2 4.14Å; K10-F22 HydrophobicContact CG-CD2 4.17Å; K10-F22 HydrophobicContact CG-CE2 4.09Å; R20-F22 HydrophobicContact CB-CD2 4.36Å; R20-F22 HydrophobicContact CB-CE2 3.44Å; R20-F22 VanDerWaalsContact CB-CE2 3.44Å; R20-F22 HydrophobicContact CB-CZ 3.65Å
23	L	89.9	Confident	86.1	Confident	77 Å²	77	100.7 Å²	100.7	40%	0.403	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	129.4	169.9	-151	69.5	0	0	0	109.4	V7 R28 A31	V7-L23 HydrophobicContact CG2-CD1 4Å; L23-R28 HydrophobicContact CB-CG 4.35Å; L23-R28 HydrophobicContact CD2-CB 4.18Å; L23-R28 HydrophobicContact CD2-CG 3.56Å; L23-R28 HydrophobicContact CG-CG 4.13Å; L23-R28 PolarHBondContact O-NH1 3.36Å; L23-A31 HydrophobicContact CD2-CB 4.37Å
24	T	92.2	Very high	85.7	Confident	32 Å²	32	97.3 Å²	97.3	20%	0.196	45%	0.446	C	S	.	.			trans	-75.7	173.6	171.9	67.6	0	0	0	0	110.1	N5 D6 L8 K26 G27 R28	N5-T24 WeakPolarHBondContact O-CB 3.43Å; N5-T24 WeakPolarHBondContact O-CG2 3.44Å; N5-T24 PolarHBondContact O-OG1 3.22Å; D6-T24 VanDerWaalsContact C-OG1 3.3Å; D6-T24 WeakPolarHBondContact CA-OG1 3.05Å; D6-T24 PolarHBondContact O-N 3.39Å; D6-T24 PolarHBondContact O-OG1 3.25Å; D6-T24 VanDerWaalsContact O-OG1 3.09Å; L8-T24 HydrophobicContact CB-CG2 4Å; T24-K26 VanDerWaalsContact C-N 3.28Å; T24-K26 PolarHBondContact O-N 3.4Å; T24-K26 PolarHBondContact OG1-N 3.3Å; T24-G27 PolarHBondContact O-N 2.99Å; T24-G27 PolarHBondContact OG1-N 3Å; T24-R28 PolarHBondContact O-N 3.45Å
25	E	91.5	Very high	85.1	Confident	96 Å²	96	92.8 Å²	92.8	45%	0.449	43%	0.434	S	S	.	.	H	α-helix	trans	-62.6	-39.2	172.3	-168.7	53.9	-144.2	0	0	111.8	G27 R28 Q29	E25-G27 PolarHBondContact O-N 2.88Å; E25-R28 PolarHBondContact O-N 3.26Å; E25-R28 IonicContact OE2-CZ 2.75Å; E25-R28 VanDerWaalsContact OE2-CZ 3.26Å; E25-R28 IonicContact OE2-NE 2.91Å; E25-R28 PolarHBondContact OE2-NE 2.91Å; E25-R28 IonicContact OE2-NH2 3.37Å; E25-R28 PolarHBondContact OE2-NH2 2.8Å; E25-Q29 WeakPolarHBondContact O-CG 3.38Å; E25-Q29 PolarHBondContact O-N 2.86Å
26	K	90.8	Very high	84	Confident	116 Å²	116	97.4 Å²	97.4	50%	0.504	45%	0.454	S	S	.	.	H	α-helix	trans	-60.7	-45.7	173.5	-174.5	-176.2	174.9	-175.9	0	111.3	S4 N5 T24 R28 Q29 K30	S4-K26 WeakPolarHBondContact O-CD 3.45Å; S4-K26 WeakPolarHBondContact O-CE 3.46Å; S4-K26 PolarHBondContact O-NZ 3.49Å; N5-K26 HydrophobicContact CB-CD 4.41Å; T24-K26 VanDerWaalsContact C-N 3.28Å; T24-K26 PolarHBondContact O-N 3.4Å; T24-K26 PolarHBondContact OG1-N 3.3Å; K26-R28 PolarHBondContact O-N 2.89Å; K26-Q29 PolarHBondContact O-N 2.8Å; K26-K30 WeakPolarHBondContact O-CB 3.35Å; K26-K30 PolarHBondContact O-N 2.78Å
27	G	89	Confident	82.9	Confident	3 Å²	3	93.9 Å²	93.9	3%	0.031	45%	0.446	C	S	.	.	H	α-helix	trans	-62.9	-40.6	176.3	0	0	0	0	0	112.9	D6 T24 E25 Q29 K30 A31	D6-G27 VanDerWaalsContact O-CA 3.31Å; D6-G27 WeakPolarHBondContact O-CA 3.22Å; T24-G27 PolarHBondContact O-N 2.99Å; T24-G27 PolarHBondContact OG1-N 3Å; E25-G27 PolarHBondContact O-N 2.88Å; G27-Q29 PolarHBondContact O-N 3.3Å; G27-K30 PolarHBondContact O-N 2.94Å; G27-A31 WeakPolarHBondContact O-CB 3.48Å; G27-A31 PolarHBondContact O-N 3.08Å
28	R	89.2	Confident	81.7	Confident	106 Å²	106	88.1 Å²	88.1	40%	0.4	44%	0.436	S	S	.	.	H	α-helix	trans	-59.6	-45.4	173.5	-84.7	-171.4	-71.3	-83.6	1.6	111.6	L23 T24 E25 K26 A31 K32	L23-R28 HydrophobicContact CB-CG 4.35Å; L23-R28 HydrophobicContact CD2-CB 4.18Å; L23-R28 HydrophobicContact CD2-CG 3.56Å; L23-R28 HydrophobicContact CG-CG 4.13Å; L23-R28 PolarHBondContact O-NH1 3.36Å; T24-R28 PolarHBondContact O-N 3.45Å; E25-R28 PolarHBondContact O-N 3.26Å; E25-R28 IonicContact OE2-CZ 2.75Å; E25-R28 VanDerWaalsContact OE2-CZ 3.26Å; E25-R28 IonicContact OE2-NE 2.91Å; E25-R28 PolarHBondContact OE2-NE 2.91Å; E25-R28 IonicContact OE2-NH2 3.37Å; E25-R28 PolarHBondContact OE2-NH2 2.8Å; K26-R28 PolarHBondContact O-N 2.89Å; R28-A31 PolarHBondContact O-N 2.79Å; R28-K32 WeakPolarHBondContact O-CG 3.18Å; R28-K32 PolarHBondContact O-N 3.3Å
29	Q	89.1	Confident	80.6	Confident	101 Å²	101	91.7 Å²	91.7	47%	0.472	45%	0.452	S	S	.	.	H	α-helix	trans	-65.7	-41	177.5	-69.8	176.9	12.9	0	0	112	E25 K26 G27 K32 K33	E25-Q29 WeakPolarHBondContact O-CG 3.38Å; E25-Q29 PolarHBondContact O-N 2.86Å; K26-Q29 PolarHBondContact O-N 2.8Å; G27-Q29 PolarHBondContact O-N 3.3Å; Q29-K32 PolarHBondContact O-N 3.37Å; Q29-K33 WeakPolarHBondContact O-CG 3.34Å; Q29-K33 PolarHBondContact O-N 3.11Å
30	K	87.2	Confident	79.4	Confident	79 Å²	79	90.3 Å²	90.3	34%	0.343	45%	0.451	S	S	.	.	H	α-helix	trans	-63.3	-44.8	175.6	-170.6	175.6	172.6	-176.9	0	111.2	D6 K26 G27 K32 K33 I34 E162	D6-K30 WeakPolarHBondContact OD2-CD 3.28Å; D6-K30 IonicContact OD2-NZ 3.16Å; D6-K30 PolarHBondContact OD2-NZ 3.01Å; K26-K30 WeakPolarHBondContact O-CB 3.35Å; K26-K30 PolarHBondContact O-N 2.78Å; G27-K30 PolarHBondContact O-N 2.94Å; K30-K32 PolarHBondContact O-N 2.87Å; K30-K33 PolarHBondContact O-N 3.01Å; K30-I34 HydrophobicContact CG-CD1 4.15Å; K30-I34 WeakPolarHBondContact O-CG1 3.41Å; K30-I34 PolarHBondContact O-N 3.5Å; K30-E162 IonicContact NZ-OE1 3Å; K30-E162 IonicContact NZ-OE2 3.29Å
31	A	84.1	Confident	78.4	Confident	41 Å²	41	90.3 Å²	90.3	34%	0.339	46%	0.458	S	S	.	.	H	α-helix	trans	-60	-45.3	175.6	0	0	0	0	0	111.8	L23 G27 R28 K33 I34 S35	L23-A31 HydrophobicContact CD2-CB 4.37Å; G27-A31 WeakPolarHBondContact O-CB 3.48Å; G27-A31 PolarHBondContact O-N 3.08Å; R28-A31 PolarHBondContact O-N 2.79Å; A31-K33 VanDerWaalsContact C-N 3.34Å; A31-K33 PolarHBondContact O-N 3.32Å; A31-I34 PolarHBondContact O-N 2.85Å; A31-S35 PolarHBondContact O-N 3.23Å; A31-S35 PolarHBondContact O-OG 2.97Å; A31-S35 VanDerWaalsContact O-OG 3.12Å
32	K	82.7	Confident	77.7	Confident	145 Å²	145	88.5 Å²	88.5	63%	0.63	45%	0.45	S	S	*	.	H	α-helix	trans	-59	-41.8	174.9	-74.4	177.2	179.5	-175.9	0	112.8	R28 Q29 K30 S35 H36	R28-K32 WeakPolarHBondContact O-CG 3.18Å; R28-K32 PolarHBondContact O-N 3.3Å; Q29-K32 PolarHBondContact O-N 3.37Å; K30-K32 PolarHBondContact O-N 2.87Å; K32-S35 PolarHBondContact O-N 3.06Å; K32-H36 PolarHBondContact O-N 3.1Å; K32-H36 VanDerWaalsContact O-N 3.08Å
33	K	80.4	Confident	77.1	Confident	150 Å²	150	90.9 Å²	90.9	65%	0.652	46%	0.462	S	S	*	.	H	α-helix	trans	-63.2	-43	176.1	-72.3	178.4	-179	-173.7	0	111.7	Q29 K30 A31 H36 V37	Q29-K33 WeakPolarHBondContact O-CG 3.34Å; Q29-K33 PolarHBondContact O-N 3.11Å; K30-K33 PolarHBondContact O-N 3.01Å; A31-K33 VanDerWaalsContact C-N 3.34Å; A31-K33 PolarHBondContact O-N 3.32Å; K33-H36 PolarHBondContact O-N 3.35Å; K33-V37 WeakPolarHBondContact O-CG2 3.5Å; K33-V37 PolarHBondContact O-N 3.07Å
34	I	75.5	Confident	76.6	Confident	109 Å²	109	90.7 Å²	90.7	56%	0.559	47%	0.471	S	S	*	.	H	α-helix	trans	-65.3	-41.6	177.5	-65.3	164.9	0	0	0	110.7	K30 A31 H36 V37 G38	K30-I34 HydrophobicContact CG-CD1 4.15Å; K30-I34 WeakPolarHBondContact O-CG1 3.41Å; K30-I34 PolarHBondContact O-N 3.5Å; A31-I34 PolarHBondContact O-N 2.85Å; I34-H36 VanDerWaalsContact C-N 3.32Å; I34-H36 PolarHBondContact O-N 3.27Å; I34-V37 PolarHBondContact O-N 2.68Å; I34-G38 PolarHBondContact O-N 3.36Å
35	S	65.5	Low	76.1	Confident	76 Å²	76	96.6 Å²	96.6	53%	0.531	49%	0.494	S	S	.	.	H	α-helix	trans	-57.8	-45.2	175.3	-63.3	0	0	0	0	111.6	A31 K32 G38 E39	A31-S35 PolarHBondContact O-N 3.23Å; A31-S35 PolarHBondContact O-OG 2.97Å; A31-S35 VanDerWaalsContact O-OG 3.12Å; K32-S35 PolarHBondContact O-N 3.06Å; S35-G38 PolarHBondContact O-N 3.3Å; S35-E39 PolarHBondContact O-N 2.95Å; S35-E39 VanDerWaalsContact O-N 3.09Å
36	H	62.2	Low	75.8	Confident	115 Å²	115	94.7 Å²	94.7	53%	0.532	49%	0.485	S	S	.	.	H	α-helix	trans	-68.5	-40.4	-179.6	-164	34.2	0	0	0	112.8	K32 K33 I34 G38 E39 D40	K32-H36 PolarHBondContact O-N 3.1Å; K32-H36 VanDerWaalsContact O-N 3.08Å; K33-H36 PolarHBondContact O-N 3.35Å; I34-H36 VanDerWaalsContact C-N 3.32Å; I34-H36 PolarHBondContact O-N 3.27Å; H36-G38 PolarHBondContact O-N 2.98Å; H36-E39 IonicContact ND1-OE2 2.64Å; H36-E39 PolarHBondContact ND1-OE2 3.44Å; H36-E39 PolarHBondContact O-N 3.06Å; H36-D40 PolarHBondContact O-N 3.42Å
37	V	60	Low	75.5	Confident	90 Å²	90	93.2 Å²	93.2	55%	0.545	49%	0.494	S	S	.	.	H	α-helix	trans	-65.3	-31.8	172.9	175	0	0	0	0	111.4	K33 I34 D40 M41	K33-V37 WeakPolarHBondContact O-CG2 3.5Å; K33-V37 PolarHBondContact O-N 3.07Å; I34-V37 PolarHBondContact O-N 2.68Å; V37-D40 PolarHBondContact O-N 3.18Å; V37-M41 HydrophobicContact CG1-CG 4.43Å; V37-M41 VanDerWaalsContact O-CG 3.22Å; V37-M41 WeakPolarHBondContact O-CG 3.47Å; V37-M41 PolarHBondContact O-N 3.12Å; V37-M41 VanDerWaalsContact O-N 3.12Å
38	G	58.8	Low	75.5	Confident	38 Å²	38	96.6 Å²	96.6	39%	0.392	53%	0.529	S	S	.	.	H	α-helix	trans	-66.9	-36.2	175.9	0	0	0	0	0	113.4	I34 S35 H36 M41 S42	I34-G38 PolarHBondContact O-N 3.36Å; S35-G38 PolarHBondContact O-N 3.3Å; H36-G38 PolarHBondContact O-N 2.98Å; G38-M41 PolarHBondContact O-N 2.88Å; G38-S42 WeakPolarHBondContact O-CB 3.24Å; G38-S42 PolarHBondContact O-N 3.45Å
39	E	57.8	Low	75.5	Confident	112 Å²	112	94.6 Å²	94.6	52%	0.523	53%	0.526	S	S	.	.	H	α-helix	trans	-61.4	-49.9	173.4	-70.5	167.6	167.6	0	0	110.4	S35 H36 M41 S42 E43	S35-E39 PolarHBondContact O-N 2.95Å; S35-E39 VanDerWaalsContact O-N 3.09Å; H36-E39 IonicContact ND1-OE2 2.64Å; H36-E39 PolarHBondContact ND1-OE2 3.44Å; H36-E39 PolarHBondContact O-N 3.06Å; E39-M41 VanDerWaalsContact C-N 3.29Å; E39-M41 PolarHBondContact O-N 3.49Å; E39-S42 WeakPolarHBondContact O-CB 3.37Å; E39-S42 PolarHBondContact O-N 2.96Å; E39-S42 PolarHBondContact O-OG 3.02Å; E39-E43 PolarHBondContact O-N 2.84Å
40	D	60	Low	75.6	Confident	95 Å²	95	93.6 Å²	93.6	51%	0.508	53%	0.527	S	S	.	.	H	α-helix	trans	-59.6	-38.2	178.1	-68.7	-17.9	0	0	0	112.5	H36 V37 A44	H36-D40 PolarHBondContact O-N 3.42Å; V37-D40 PolarHBondContact O-N 3.18Å; D40-A44 PolarHBondContact O-N 3.32Å
41	M	65.3	Low	75.7	Confident	131 Å²	131	98.1 Å²	98.1	65%	0.645	55%	0.549	S	S	*	.	H	α-helix	trans	-72.5	-31	178.2	-68.1	-70.2	-77.5	0	0	112.3	V37 G38 E39 F45	V37-M41 HydrophobicContact CG1-CG 4.43Å; V37-M41 VanDerWaalsContact O-CG 3.22Å; V37-M41 WeakPolarHBondContact O-CG 3.47Å; V37-M41 PolarHBondContact O-N 3.12Å; V37-M41 VanDerWaalsContact O-N 3.12Å; G38-M41 PolarHBondContact O-N 2.88Å; E39-M41 VanDerWaalsContact C-N 3.29Å; E39-M41 PolarHBondContact O-N 3.49Å; M41-F45 VanDerWaalsContact O-CB 3.3Å; M41-F45 WeakPolarHBondContact O-CB 3.12Å; M41-F45 PolarHBondContact O-N 3.36Å
42	S	72.8	Confident	76.1	Confident	53 Å²	53	103.1 Å²	103.1	37%	0.371	57%	0.566	S	S	.	*	H	α-helix	trans	-67.2	-41.4	178.3	73.9	0	0	0	0	111.7	G38 E39 A44 F45 F46	G38-S42 WeakPolarHBondContact O-CB 3.24Å; G38-S42 PolarHBondContact O-N 3.45Å; E39-S42 WeakPolarHBondContact O-CB 3.37Å; E39-S42 PolarHBondContact O-N 2.96Å; E39-S42 PolarHBondContact O-OG 3.02Å; S42-A44 PolarHBondContact O-N 3.5Å; S42-F45 PolarHBondContact O-N 3.14Å; S42-F46 WeakPolarHBondContact O-CD2 3.1Å; S42-F46 PolarHBondContact O-N 3.48Å
43	E	75.5	Confident	76.6	Confident	144 Å²	144	100.6 Å²	100.6	67%	0.673	56%	0.556	S	S	*	*	H	α-helix	trans	-61.6	-46.6	176.2	-67.7	-173.5	-178.9	0	0	111.3	E39 F45 F46 A47	E39-E43 PolarHBondContact O-N 2.84Å; E43-F45 VanDerWaalsContact C-N 3.31Å; E43-F45 PolarHBondContact O-N 3.23Å; E43-F46 PolarHBondContact O-N 3.44Å; E43-A47 WeakPolarHBondContact O-CB 3.21Å; E43-A47 PolarHBondContact O-N 3.1Å
44	A	79.7	Confident	77	Confident	72 Å²	72	96.8 Å²	96.8	60%	0.595	54%	0.541	S	S	*	.	H	α-helix	trans	-63.3	-36.6	176.8	0	0	0	0	0	112.7	D40 S42	D40-A44 PolarHBondContact O-N 3.32Å; S42-A44 PolarHBondContact O-N 3.5Å
45	F	80.4	Confident	77.6	Confident	156 Å²	156	94.4 Å²	94.4	68%	0.684	54%	0.537	S	S	*	.	H	α-helix	trans	-65.5	-37.8	178.1	-176.8	-94.3	0	0	0	112.2	M41 S42 E43	M41-F45 VanDerWaalsContact O-CB 3.3Å; M41-F45 WeakPolarHBondContact O-CB 3.12Å; M41-F45 PolarHBondContact O-N 3.36Å; S42-F45 PolarHBondContact O-N 3.14Å; E43-F45 VanDerWaalsContact C-N 3.31Å; E43-F45 PolarHBondContact O-N 3.23Å
46	F	86	Confident	78.9	Confident	57 Å²	57	93.5 Å²	93.5	25%	0.25	53%	0.526	C	S	.	.	H	α-helix	trans	-98.2	2.3	-178.4	-62.7	-64.8	0	0	0	114.6	S42 E43 G48 L49 Q54 F57	S42-F46 WeakPolarHBondContact O-CD2 3.1Å; S42-F46 PolarHBondContact O-N 3.48Å; E43-F46 PolarHBondContact O-N 3.44Å; F46-G48 PolarHBondContact O-N 2.86Å; F46-L49 HydrophobicContact CD1-CD1 4.19Å; F46-L49 PolarHBondContact O-N 3.23Å; F46-Q54 HydrophobicContact CB-CG 4.18Å; F46-Q54 PolarHBondContact O-NE2 3.4Å; F46-F57 HydrophobicContact CE1-CD1 4.06Å; F46-F57 AromaticContact CE1-CE1 3.95Å; F46-F57 HydrophobicContact CE1-CE1 3.95Å
47	A	84.3	Confident	80.2	Confident	84 Å²	84	92.1 Å²	92.1	69%	0.694	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-20.8	-176	0	0	0	0	0	115	E43	E43-A47 WeakPolarHBondContact O-CB 3.21Å; E43-A47 PolarHBondContact O-N 3.1Å
48	G	88.3	Confident	81.4	Confident	75 Å²	75	90.6 Å²	90.6	77%	0.773	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-3.6	175.2	0	0	0	0	0	115.1	F46	F46-G48 PolarHBondContact O-N 2.86Å
49	L	90	Very high	82.8	Confident	63 Å²	63	92.7 Å²	92.7	33%	0.33	51%	0.512	S	S	.	.	S	Bend	trans	-116	131.8	-178.9	-59	-177.9	0	0	0	110.1	F46 E53 Q54 F57	F46-L49 HydrophobicContact CD1-CD1 4.19Å; F46-L49 PolarHBondContact O-N 3.23Å; L49-E53 HydrophobicContact CB-CB 3.96Å; L49-E53 HydrophobicContact CD2-CB 4.16Å; L49-Q54 HydrophobicContact CB-CG 3.63Å; L49-Q54 HydrophobicContact CD1-CG 4.26Å; L49-Q54 PolarHBondContact O-NE2 3.21Å; L49-F57 HydrophobicContact CD1-CB 4.45Å
50	T	92.4	Very high	84.4	Confident	81 Å²	81	93.9 Å²	93.9	50%	0.497	51%	0.513	S	S	.	.			trans	-61.8	161.7	166.1	59.6	0	0	0	0	111.1	E52 E53 Q54	T50-E52 PolarHBondContact O-N 2.87Å; T50-E53 WeakPolarHBondContact CB-OE2 3.29Å; T50-E53 WeakPolarHBondContact CG2-OE2 3.11Å; T50-E53 PolarHBondContact N-OE2 3.26Å; T50-E53 PolarHBondContact O-N 3.43Å; T50-E53 WeakPolarHBondContact OG1-CB 3.46Å; T50-E53 VanDerWaalsContact OG1-CD 3.31Å; T50-E53 WeakPolarHBondContact OG1-CG 3.13Å; T50-E53 PolarHBondContact OG1-N 2.92Å; T50-E53 PolarHBondContact OG1-OE2 3.24Å; T50-Q54 WeakPolarHBondContact O-CG 3.22Å; T50-Q54 PolarHBondContact O-N 2.97Å
51	E	88.5	Confident	85.6	Confident	173 Å²	173	94.3 Å²	94.3	81%	0.808	51%	0.513	S	S	*	.	H	α-helix	trans	-56.3	-37.9	176.4	-66.3	-178.9	180	0	0	112.3	Q54 A55	E51-Q54 PolarHBondContact O-N 3.41Å; E51-A55 WeakPolarHBondContact O-CB 3.49Å; E51-A55 PolarHBondContact O-N 3.26Å
52	E	92.9	Very high	86.4	Confident	146 Å²	146	94 Å²	94	68%	0.682	51%	0.509	S	S	*	.	H	α-helix	trans	-65.3	-43.6	175.2	-172	-179.5	173.2	0	0	111.6	T50 A55 N56	T50-E52 PolarHBondContact O-N 2.87Å; E52-A55 PolarHBondContact O-N 3.49Å; E52-N56 WeakPolarHBondContact O-CB 3.3Å; E52-N56 VanDerWaalsContact O-CG 3.23Å; E52-N56 PolarHBondContact O-N 3.43Å; E52-N56 PolarHBondContact O-ND2 3.03Å
53	E	93.2	Very high	87.1	Confident	92 Å²	92	96.8 Å²	96.8	43%	0.43	52%	0.515	S	S	.	.	H	α-helix	trans	-66	-37.1	176.2	-73.4	166.7	137.9	0	0	112.5	L49 T50 N56 F57	L49-E53 HydrophobicContact CB-CB 3.96Å; L49-E53 HydrophobicContact CD2-CB 4.16Å; T50-E53 WeakPolarHBondContact CB-OE2 3.29Å; T50-E53 WeakPolarHBondContact CG2-OE2 3.11Å; T50-E53 PolarHBondContact N-OE2 3.26Å; T50-E53 PolarHBondContact O-N 3.43Å; T50-E53 WeakPolarHBondContact OG1-CB 3.46Å; T50-E53 VanDerWaalsContact OG1-CD 3.31Å; T50-E53 WeakPolarHBondContact OG1-CG 3.13Å; T50-E53 PolarHBondContact OG1-N 2.92Å; T50-E53 PolarHBondContact OG1-OE2 3.24Å; E53-N56 PolarHBondContact O-N 2.82Å; E53-F57 VanDerWaalsContact O-CB 3.25Å; E53-F57 WeakPolarHBondContact O-CB 3.34Å; E53-F57 PolarHBondContact O-N 2.9Å
54	Q	87.7	Confident	87.4	Confident	71 Å²	71	94.6 Å²	94.6	33%	0.332	51%	0.507	S	S	.	.	H	α-helix	trans	-65.2	-41.1	174.1	-68.3	-179.5	38.1	0	0	111.5	F46 L49 T50 E51 F57 S58	F46-Q54 HydrophobicContact CB-CG 4.18Å; F46-Q54 PolarHBondContact O-NE2 3.4Å; L49-Q54 HydrophobicContact CB-CG 3.63Å; L49-Q54 HydrophobicContact CD1-CG 4.26Å; L49-Q54 PolarHBondContact O-NE2 3.21Å; T50-Q54 WeakPolarHBondContact O-CG 3.22Å; T50-Q54 PolarHBondContact O-N 2.97Å; E51-Q54 PolarHBondContact O-N 3.41Å; Q54-F57 PolarHBondContact O-N 3.4Å; Q54-S58 WeakPolarHBondContact O-CB 3.3Å; Q54-S58 PolarHBondContact O-N 2.9Å
55	A	88.7	Confident	87.3	Confident	58 Å²	58	93.4 Å²	93.4	48%	0.479	49%	0.494	S	S	.	.	H	α-helix	trans	-62.4	-46.5	174.8	0	0	0	0	0	111.2	E51 E52 F57 S58 E59	E51-A55 WeakPolarHBondContact O-CB 3.49Å; E51-A55 PolarHBondContact O-N 3.26Å; E52-A55 PolarHBondContact O-N 3.49Å; A55-F57 PolarHBondContact O-N 3.07Å; A55-S58 WeakPolarHBondContact O-CB 3.49Å; A55-S58 PolarHBondContact O-N 3Å; A55-E59 PolarHBondContact O-N 3.4Å
56	N	92	Very high	87.3	Confident	57 Å²	57	89.3 Å²	89.3	31%	0.305	49%	0.489	S	S	.	.	H	α-helix	trans	-62	-42.1	175.5	-70.6	-29.9	0	0	0	111.8	E52 E53 E59 Y60	E52-N56 WeakPolarHBondContact O-CB 3.3Å; E52-N56 VanDerWaalsContact O-CG 3.23Å; E52-N56 PolarHBondContact O-N 3.43Å; E52-N56 PolarHBondContact O-ND2 3.03Å; E53-N56 PolarHBondContact O-N 2.82Å; N56-E59 WeakPolarHBondContact O-CB 3.29Å; N56-E59 PolarHBondContact O-N 2.85Å; N56-Y60 HydrophobicContact CB-CE2 4.14Å; N56-Y60 WeakPolarHBondContact O-CD2 3.35Å; N56-Y60 VanDerWaalsContact O-CG 3.31Å; N56-Y60 PolarHBondContact O-N 2.74Å
57	F	89.8	Confident	87.2	Confident	86 Å²	86	89.7 Å²	89.7	38%	0.377	51%	0.509	S	S	.	.	H	α-helix	trans	-61.4	-44.9	176.7	178.9	-106.8	0	0	0	111.8	F46 L49 E53 Q54 A55 E59 Y60 M61	F46-F57 HydrophobicContact CE1-CD1 4.06Å; F46-F57 AromaticContact CE1-CE1 3.95Å; F46-F57 HydrophobicContact CE1-CE1 3.95Å; L49-F57 HydrophobicContact CD1-CB 4.45Å; E53-F57 VanDerWaalsContact O-CB 3.25Å; E53-F57 WeakPolarHBondContact O-CB 3.34Å; E53-F57 PolarHBondContact O-N 2.9Å; Q54-F57 PolarHBondContact O-N 3.4Å; A55-F57 PolarHBondContact O-N 3.07Å; F57-E59 VanDerWaalsContact C-N 3.34Å; F57-E59 PolarHBondContact O-N 3.34Å; F57-Y60 PolarHBondContact O-N 2.89Å; F57-M61 HydrophobicContact CD1-CG 4.44Å; F57-M61 HydrophobicContact CE1-CG 4.02Å; F57-M61 HydrophobicContact CE2-CG 4.23Å; F57-M61 HydrophobicContact CE2-SD 4.49Å; F57-M61 HydrophobicContact CZ-CG 3.91Å; F57-M61 HydrophobicContact CZ-SD 4.16Å; F57-M61 WeakPolarHBondContact O-CG 3.45Å; F57-M61 PolarHBondContact O-N 3.03Å
58	S	85.9	Confident	87.1	Confident	58 Å²	58	90.4 Å²	90.4	41%	0.406	49%	0.494	S	S	.	.	H	α-helix	trans	-58.8	-45.2	173.7	-175.8	0	0	0	0	111.4	Q54 A55 Y60 M61 Q62	Q54-S58 WeakPolarHBondContact O-CB 3.3Å; Q54-S58 PolarHBondContact O-N 2.9Å; A55-S58 WeakPolarHBondContact O-CB 3.49Å; A55-S58 PolarHBondContact O-N 3Å; S58-Y60 PolarHBondContact O-N 3.46Å; S58-M61 PolarHBondContact O-N 3.31Å; S58-Q62 WeakPolarHBondContact O-CG 3.36Å; S58-Q62 PolarHBondContact O-N 3.49Å
59	E	88.3	Confident	86.6	Confident	83 Å²	83	94.2 Å²	94.2	39%	0.388	49%	0.492	S	S	.	.	H	α-helix	trans	-61.3	-42.7	176.4	-168.4	-171.6	164.2	0	0	111.9	A55 N56 F57 Q62 K63	A55-E59 PolarHBondContact O-N 3.4Å; N56-E59 WeakPolarHBondContact O-CB 3.29Å; N56-E59 PolarHBondContact O-N 2.85Å; F57-E59 VanDerWaalsContact C-N 3.34Å; F57-E59 PolarHBondContact O-N 3.34Å; E59-Q62 PolarHBondContact O-N 2.89Å; E59-K63 HydrophobicContact CG-CD 4.45Å; E59-K63 WeakPolarHBondContact O-CG 3.16Å; E59-K63 PolarHBondContact O-N 3.18Å; E59-K63 WeakPolarHBondContact OE1-CE 3.22Å; E59-K63 IonicContact OE1-NZ 2.62Å; E59-K63 PolarHBondContact OE1-NZ 3.34Å
60	Y	90.6	Very high	85.9	Confident	137 Å²	137	97.4 Å²	97.4	54%	0.537	51%	0.505	S	S	.	.	H	α-helix	trans	-64.6	-42.3	176.6	-66.1	-45.3	0	0	0	112.3	N56 F57 S58 Q62 K63 I64	N56-Y60 HydrophobicContact CB-CE2 4.14Å; N56-Y60 WeakPolarHBondContact O-CD2 3.35Å; N56-Y60 VanDerWaalsContact O-CG 3.31Å; N56-Y60 PolarHBondContact O-N 2.74Å; F57-Y60 PolarHBondContact O-N 2.89Å; S58-Y60 PolarHBondContact O-N 3.46Å; Y60-Q62 VanDerWaalsContact C-N 3.28Å; Y60-Q62 PolarHBondContact O-N 3.41Å; Y60-K63 PolarHBondContact O-N 3.4Å; Y60-I64 WeakPolarHBondContact O-CB 3.23Å; Y60-I64 VanDerWaalsContact O-CG1 3.23Å; Y60-I64 WeakPolarHBondContact O-CG1 3.33Å; Y60-I64 PolarHBondContact O-N 3.46Å
61	M	85.8	Confident	84.9	Confident	103 Å²	103	98.7 Å²	98.7	51%	0.507	51%	0.509	S	S	.	.	H	α-helix	trans	-60.1	-40	175.3	-74	-67.2	-71.3	0	0	111.7	F57 S58 I64 S65	F57-M61 HydrophobicContact CD1-CG 4.44Å; F57-M61 HydrophobicContact CE1-CG 4.02Å; F57-M61 HydrophobicContact CE2-CG 4.23Å; F57-M61 HydrophobicContact CE2-SD 4.49Å; F57-M61 HydrophobicContact CZ-CG 3.91Å; F57-M61 HydrophobicContact CZ-SD 4.16Å; F57-M61 WeakPolarHBondContact O-CG 3.45Å; F57-M61 PolarHBondContact O-N 3.03Å; S58-M61 PolarHBondContact O-N 3.31Å; M61-I64 PolarHBondContact O-N 2.95Å; M61-S65 PolarHBondContact O-N 2.99Å; M61-S65 PolarHBondContact O-OG 2.66Å
62	Q	80.9	Confident	83.9	Confident	124 Å²	124	94.6 Å²	94.6	58%	0.579	49%	0.488	S	S	*	.	H	α-helix	trans	-68.1	-40.1	174.9	-69.8	175.8	12.2	0	0	112.7	S58 E59 Y60 I64 S65 A66	S58-Q62 WeakPolarHBondContact O-CG 3.36Å; S58-Q62 PolarHBondContact O-N 3.49Å; E59-Q62 PolarHBondContact O-N 2.89Å; Y60-Q62 VanDerWaalsContact C-N 3.28Å; Y60-Q62 PolarHBondContact O-N 3.41Å; Q62-I64 VanDerWaalsContact C-N 3.34Å; Q62-S65 WeakPolarHBondContact CA-OG 3.29Å; Q62-S65 PolarHBondContact O-N 2.87Å; Q62-S65 PolarHBondContact O-OG 3.29Å; Q62-A66 VanDerWaalsContact O-CB 3.24Å; Q62-A66 WeakPolarHBondContact O-CB 3.37Å; Q62-A66 PolarHBondContact O-N 3.43Å
63	K	87.6	Confident	82.8	Confident	113 Å²	113	91.6 Å²	91.6	49%	0.491	47%	0.474	S	S	.	.	H	α-helix	trans	-64.2	-40.1	174.9	-75.7	174.7	-178.7	166.2	0	111.9	E59 Y60 A66 G67	E59-K63 HydrophobicContact CG-CD 4.45Å; E59-K63 WeakPolarHBondContact O-CG 3.16Å; E59-K63 PolarHBondContact O-N 3.18Å; E59-K63 WeakPolarHBondContact OE1-CE 3.22Å; E59-K63 IonicContact OE1-NZ 2.62Å; E59-K63 PolarHBondContact OE1-NZ 3.34Å; Y60-K63 PolarHBondContact O-N 3.4Å; K63-A66 PolarHBondContact O-N 3.28Å; K63-G67 PolarHBondContact O-N 3.35Å
64	I	82.2	Confident	81.7	Confident	97 Å²	97	92.9 Å²	92.9	50%	0.497	48%	0.479	S	S	.	.	H	α-helix	trans	-62.7	-48.4	175.7	-69.7	165.4	0	0	0	109.9	Y60 M61 Q62 A66 G67 W68	Y60-I64 WeakPolarHBondContact O-CB 3.23Å; Y60-I64 VanDerWaalsContact O-CG1 3.23Å; Y60-I64 WeakPolarHBondContact O-CG1 3.33Å; Y60-I64 PolarHBondContact O-N 3.46Å; M61-I64 PolarHBondContact O-N 2.95Å; Q62-I64 VanDerWaalsContact C-N 3.34Å; I64-A66 VanDerWaalsContact C-N 3.33Å; I64-A66 PolarHBondContact O-N 3.12Å; I64-G67 PolarHBondContact O-N 3.49Å; I64-G67 VanDerWaalsContact O-N 3.14Å; I64-W68 HydrophobicContact CG2-CZ2 4.49Å; I64-W68 PolarHBondContact O-N 3.09Å; I64-W68 PolarHBondContact O-NE1 3.02Å
65	S	78.8	Confident	80.4	Confident	47 Å²	47	93.7 Å²	93.7	33%	0.329	48%	0.482	S	S	.	.	H	α-helix	trans	-65.8	-35.7	179.4	67.4	0	0	0	0	112.6	M61 Q62 G67 W68	M61-S65 PolarHBondContact O-N 2.99Å; M61-S65 PolarHBondContact O-OG 2.66Å; Q62-S65 WeakPolarHBondContact CA-OG 3.29Å; Q62-S65 PolarHBondContact O-N 2.87Å; Q62-S65 PolarHBondContact O-OG 3.29Å; S65-G67 VanDerWaalsContact C-N 3.31Å; S65-G67 PolarHBondContact O-N 3.29Å; S65-W68 WeakPolarHBondContact O-CB 3.44Å; S65-W68 PolarHBondContact O-N 3.06Å
66	A	80.2	Confident	79.1	Confident	70 Å²	70	91.4 Å²	91.4	58%	0.579	46%	0.463	S	S	*	.	H	α-helix	trans	-69.3	-26.3	173.3	0	0	0	0	0	113.4	Q62 K63 I64 W68 Q73	Q62-A66 VanDerWaalsContact O-CB 3.24Å; Q62-A66 WeakPolarHBondContact O-CB 3.37Å; Q62-A66 PolarHBondContact O-N 3.43Å; K63-A66 PolarHBondContact O-N 3.28Å; I64-A66 VanDerWaalsContact C-N 3.33Å; I64-A66 PolarHBondContact O-N 3.12Å; A66-W68 VanDerWaalsContact C-N 3.29Å; A66-Q73 PolarHBondContact O-NE2 3.18Å
67	G	83.1	Confident	77.4	Confident	65 Å²	65	90.1 Å²	90.1	67%	0.67	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-7.7	175.6	0	0	0	0	0	114.2	K63 I64 S65	K63-G67 PolarHBondContact O-N 3.35Å; I64-G67 PolarHBondContact O-N 3.49Å; I64-G67 VanDerWaalsContact O-N 3.14Å; S65-G67 VanDerWaalsContact C-N 3.31Å; S65-G67 PolarHBondContact O-N 3.29Å
68	W	83	Confident	75.7	Confident	100 Å²	100	91.6 Å²	91.6	38%	0.379	47%	0.467	S	S	.	.	S	Bend	trans	-63.9	143.3	176.8	-68.4	-10.1	0	0	0	111.1	I64 S65 A66 F72 Q73 A76	I64-W68 HydrophobicContact CG2-CZ2 4.49Å; I64-W68 PolarHBondContact O-N 3.09Å; I64-W68 PolarHBondContact O-NE1 3.02Å; S65-W68 WeakPolarHBondContact O-CB 3.44Å; S65-W68 PolarHBondContact O-N 3.06Å; A66-W68 VanDerWaalsContact C-N 3.29Å; W68-F72 HydrophobicContact CB-CB 4.29Å; W68-F72 HydrophobicContact CB-CD1 3.77Å; W68-F72 HydrophobicContact CB-CG 4.48Å; W68-F72 AromaticContact CD2-CD1 3.34Å; W68-F72 HydrophobicContact CD2-CD1 3.34Å; W68-F72 AromaticContact CD2-CE1 3.41Å; W68-F72 HydrophobicContact CD2-CE1 3.41Å; W68-F72 VanDerWaalsContact CD2-CE1 3.41Å; W68-F72 AromaticContact CE2-CE1 3.66Å; W68-F72 AromaticContact CE3-CD1 3.42Å; W68-F72 HydrophobicContact CE3-CD1 3.42Å; W68-F72 VanDerWaalsContact CE3-CD1 3.42Å; W68-F72 AromaticContact CE3-CE1 3.44Å; W68-F72 HydrophobicContact CE3-CE1 3.44Å; W68-F72 VanDerWaalsContact CE3-CE1 3.44Å; W68-F72 AromaticContact CG-CD1 3.54Å; W68-F72 HydrophobicContact CG-CD1 3.54Å; W68-F72 HydrophobicContact CG-CE1 4.01Å; W68-F72 AromaticContact CH2-CE1 3.92Å; W68-F72 HydrophobicContact CH2-CE1 3.92Å; W68-F72 AromaticContact CZ2-CE1 3.91Å; W68-F72 HydrophobicContact CZ2-CE1 3.91Å; W68-F72 HydrophobicContact CZ3-CD1 4.15Å; W68-F72 AromaticContact CZ3-CE1 3.71Å; W68-F72 HydrophobicContact CZ3-CE1 3.71Å; W68-Q73 HydrophobicContact CB-CG 3.76Å; W68-Q73 WeakPolarHBondContact O-CG 3.4Å; W68-Q73 PolarHBondContact O-NE2 2.78Å; W68-A76 HydrophobicContact CE3-CB 3.52Å; W68-A76 HydrophobicContact CH2-CB 4.49Å; W68-A76 HydrophobicContact CZ3-CB 3.3Å
69	Q	78.1	Confident	74	Confident	155 Å²	155	96.1 Å²	96.1	72%	0.724	48%	0.479	S	S	*	.			trans	-54	145.7	172.7	-70.9	-178.8	-11.2	0	0	109.6	D71 F72 Q73	Q69-D71 PolarHBondContact O-N 2.98Å; Q69-D71 VanDerWaalsContact O-N 3.08Å; Q69-F72 CarbonylContact O-C 3.49Å; Q69-F72 WeakPolarHBondContact O-CA 3.46Å; Q69-F72 WeakPolarHBondContact O-CB 3.46Å; Q69-F72 PolarHBondContact O-N 3.21Å; Q69-Q73 PolarHBondContact O-N 2.95Å
70	E	73.8	Confident	72.5	Confident	129 Å²	129	98 Å²	98	60%	0.603	50%	0.496	S	S	*	.	H	α-helix	trans	-54.4	-36.3	-174.6	-159.7	-171.8	146.8	0	0	112.4	Q73 K74	E70-Q73 PolarHBondContact O-N 3.13Å; E70-K74 WeakPolarHBondContact O-CB 3.31Å; E70-K74 VanDerWaalsContact O-CG 3.28Å; E70-K74 WeakPolarHBondContact O-CG 3.46Å; E70-K74 PolarHBondContact O-N 2.87Å; E70-K74 VanDerWaalsContact OE1-CE 3.31Å; E70-K74 WeakPolarHBondContact OE1-CE 3.29Å; E70-K74 IonicContact OE1-NZ 4Å; E70-K74 PolarHBondContact OE1-NZ 3.33Å
71	D	71.3	Confident	70.9	Confident	108 Å²	108	94.4 Å²	94.4	58%	0.578	49%	0.486	S	S	*	.	H	α-helix	trans	-65.7	-37.2	174.8	-67	-24.6	0	0	0	112.7	Q69 Q75	Q69-D71 PolarHBondContact O-N 2.98Å; Q69-D71 VanDerWaalsContact O-N 3.08Å; D71-Q75 WeakPolarHBondContact O-CG 3.36Å; D71-Q75 PolarHBondContact O-N 3.16Å
72	F	69.2	Low	69.3	Low	88 Å²	88	93.9 Å²	93.9	39%	0.386	49%	0.491	S	S	.	.	H	α-helix	trans	-76.3	-32.6	175.7	-165.4	-91.2	0	0	0	111.7	W68 Q69 Q75 A76	W68-F72 HydrophobicContact CB-CB 4.29Å; W68-F72 HydrophobicContact CB-CD1 3.77Å; W68-F72 HydrophobicContact CB-CG 4.48Å; W68-F72 AromaticContact CD2-CD1 3.34Å; W68-F72 HydrophobicContact CD2-CD1 3.34Å; W68-F72 AromaticContact CD2-CE1 3.41Å; W68-F72 HydrophobicContact CD2-CE1 3.41Å; W68-F72 VanDerWaalsContact CD2-CE1 3.41Å; W68-F72 AromaticContact CE2-CE1 3.66Å; W68-F72 AromaticContact CE3-CD1 3.42Å; W68-F72 HydrophobicContact CE3-CD1 3.42Å; W68-F72 VanDerWaalsContact CE3-CD1 3.42Å; W68-F72 AromaticContact CE3-CE1 3.44Å; W68-F72 HydrophobicContact CE3-CE1 3.44Å; W68-F72 VanDerWaalsContact CE3-CE1 3.44Å; W68-F72 AromaticContact CG-CD1 3.54Å; W68-F72 HydrophobicContact CG-CD1 3.54Å; W68-F72 HydrophobicContact CG-CE1 4.01Å; W68-F72 AromaticContact CH2-CE1 3.92Å; W68-F72 HydrophobicContact CH2-CE1 3.92Å; W68-F72 AromaticContact CZ2-CE1 3.91Å; W68-F72 HydrophobicContact CZ2-CE1 3.91Å; W68-F72 HydrophobicContact CZ3-CD1 4.15Å; W68-F72 AromaticContact CZ3-CE1 3.71Å; W68-F72 HydrophobicContact CZ3-CE1 3.71Å; Q69-F72 CarbonylContact O-C 3.49Å; Q69-F72 WeakPolarHBondContact O-CA 3.46Å; Q69-F72 WeakPolarHBondContact O-CB 3.46Å; Q69-F72 PolarHBondContact O-N 3.21Å; F72-Q75 CarbonylContact O-C 3.5Å; F72-Q75 PolarHBondContact O-N 3.19Å; F72-A76 WeakPolarHBondContact O-CA 3.39Å; F72-A76 WeakPolarHBondContact O-CB 3.45Å; F72-A76 PolarHBondContact O-N 3.49Å
73	Q	69.1	Low	68.3	Low	83 Å²	83	92.9 Å²	92.9	39%	0.388	49%	0.487	S	S	.	.	H	α-helix	trans	-63.6	-43.1	170.9	-67.6	-177.3	6.6	0	0	111.4	A66 W68 Q69 E70 Q75 A76 G77	A66-Q73 PolarHBondContact O-NE2 3.18Å; W68-Q73 HydrophobicContact CB-CG 3.76Å; W68-Q73 WeakPolarHBondContact O-CG 3.4Å; W68-Q73 PolarHBondContact O-NE2 2.78Å; Q69-Q73 PolarHBondContact O-N 2.95Å; E70-Q73 PolarHBondContact O-N 3.13Å; Q73-Q75 VanDerWaalsContact C-N 3.25Å; Q73-Q75 PolarHBondContact O-N 3Å; Q73-A76 PolarHBondContact O-N 2.89Å; Q73-G77 PolarHBondContact O-N 3.33Å; Q73-G77 VanDerWaalsContact O-N 3.1Å
74	K	68.9	Low	67	Low	119 Å²	119	90 Å²	90	52%	0.517	48%	0.477	S	S	.	.	H	α-helix	trans	-61	-34.4	173.5	-73.4	168.7	-175.1	162.2	0	112.1	E70	E70-K74 WeakPolarHBondContact O-CB 3.31Å; E70-K74 VanDerWaalsContact O-CG 3.28Å; E70-K74 WeakPolarHBondContact O-CG 3.46Å; E70-K74 PolarHBondContact O-N 2.87Å; E70-K74 VanDerWaalsContact OE1-CE 3.31Å; E70-K74 WeakPolarHBondContact OE1-CE 3.29Å; E70-K74 IonicContact OE1-NZ 4Å; E70-K74 PolarHBondContact OE1-NZ 3.33Å
75	Q	61.8	Low	65.8	Low	87 Å²	87	93.1 Å²	93.1	41%	0.407	48%	0.483	S	S	.	.	H	α-helix	trans	-81.1	-34.9	174.4	-74.4	-176.3	17.2	0	0	113.4	D71 F72 Q73 G77 R78 F79	D71-Q75 WeakPolarHBondContact O-CG 3.36Å; D71-Q75 PolarHBondContact O-N 3.16Å; F72-Q75 CarbonylContact O-C 3.5Å; F72-Q75 PolarHBondContact O-N 3.19Å; Q73-Q75 VanDerWaalsContact C-N 3.25Å; Q73-Q75 PolarHBondContact O-N 3Å; Q75-G77 VanDerWaalsContact C-N 3.3Å; Q75-G77 PolarHBondContact O-N 3.38Å; Q75-R78 VanDerWaalsContact O-CA 3.29Å; Q75-R78 WeakPolarHBondContact O-CA 3.38Å; Q75-R78 WeakPolarHBondContact O-CB 3.24Å; Q75-R78 PolarHBondContact O-N 3.06Å; Q75-F79 HydrophobicContact CB-CE2 4.3Å; Q75-F79 WeakPolarHBondContact O-CD2 3.34Å; Q75-F79 PolarHBondContact O-N 3Å
76	A	60.3	Low	65.1	Low	10 Å²	10	95 Å²	95	8%	0.083	49%	0.489	C	S	.	.	H	α-helix	trans	-61	-40.8	177.8	0	0	0	0	0	111.1	W68 F72 Q73 R78 F79 V80	W68-A76 HydrophobicContact CE3-CB 3.52Å; W68-A76 HydrophobicContact CH2-CB 4.49Å; W68-A76 HydrophobicContact CZ3-CB 3.3Å; F72-A76 WeakPolarHBondContact O-CA 3.39Å; F72-A76 WeakPolarHBondContact O-CB 3.45Å; F72-A76 PolarHBondContact O-N 3.49Å; Q73-A76 PolarHBondContact O-N 2.89Å; A76-R78 PolarHBondContact O-N 3Å; A76-F79 PolarHBondContact O-N 3.44Å; A76-V80 VanDerWaalsContact O-CG2 3.3Å; A76-V80 WeakPolarHBondContact O-CG2 3.48Å; A76-V80 PolarHBondContact O-N 3.24Å
77	G	57.1	Low	64.5	Low	30 Å²	30	99.2 Å²	99.2	31%	0.309	49%	0.49	S	S	.	.	H	α-helix	trans	-54.9	-35	169	0	0	0	0	0	112.7	Q73 Q75 F79 D81	Q73-G77 PolarHBondContact O-N 3.33Å; Q73-G77 VanDerWaalsContact O-N 3.1Å; Q75-G77 VanDerWaalsContact C-N 3.3Å; Q75-G77 PolarHBondContact O-N 3.38Å; G77-F79 VanDerWaalsContact C-N 3.32Å; G77-F79 PolarHBondContact O-N 2.9Å; G77-D81 PolarHBondContact O-N 3.39Å
78	R	53.4	Low	63.8	Low	118 Å²	118	99.9 Å²	99.9	45%	0.445	48%	0.475	S	S	.	.	H	α-helix	trans	-70.6	-22.4	174.5	-56.4	174.7	163.3	171.4	-3.9	114.1	Q75 A76	Q75-R78 VanDerWaalsContact O-CA 3.29Å; Q75-R78 WeakPolarHBondContact O-CA 3.38Å; Q75-R78 WeakPolarHBondContact O-CB 3.24Å; Q75-R78 PolarHBondContact O-N 3.06Å; A76-R78 PolarHBondContact O-N 3Å
79	F	50.3	Low	62.7	Low	153 Å²	153	100.8 Å²	100.8	67%	0.671	49%	0.485	S	S	*	.	H	α-helix	trans	-94.5	-29.4	178.3	-70	-73.3	0	0	0	112.6	Q75 A76 G77	Q75-F79 HydrophobicContact CB-CE2 4.3Å; Q75-F79 WeakPolarHBondContact O-CD2 3.34Å; Q75-F79 PolarHBondContact O-N 3Å; A76-F79 PolarHBondContact O-N 3.44Å; G77-F79 VanDerWaalsContact C-N 3.32Å; G77-F79 PolarHBondContact O-N 2.9Å
80	V	56.6	Low	62.2	Low	121 Å²	121	98.7 Å²	98.7	73%	0.733	48%	0.476	S	S	*	.	H	α-helix	trans	-77.2	-37.2	-179.2	174.2	0	0	0	0	111.3	A76	A76-V80 VanDerWaalsContact O-CG2 3.3Å; A76-V80 WeakPolarHBondContact O-CG2 3.48Å; A76-V80 PolarHBondContact O-N 3.24Å
81	D	57	Low	62.1	Low	62 Å²	62	94.7 Å²	94.7	33%	0.332	46%	0.464	S	S	.	.			trans	-120.7	107.3	177.1	-161.7	-15.6	0	0	0	112	G77 M83 D84	G77-D81 PolarHBondContact O-N 3.39Å; D81-M83 PolarHBondContact O-N 3.47Å; D81-M83 WeakPolarHBondContact OD1-CB 3.42Å; D81-M83 WeakPolarHBondContact OD1-CG 3.4Å; D81-M83 PolarHBondContact OD1-N 2.82Å; D81-D84 HydrophobicContact CB-CB 4.28Å; D81-D84 PolarHBondContact O-N 3.21Å
82	P	52.1	Low	61.7	Low	93 Å²	93	95 Å²	95	60%	0.604	46%	0.463	S	S	*	.	H	α-helix	trans	-56.8	-22.4	173.1	19.9	-28.3	0	0	0	112.6	L86	P82-L86 PolarHBondContact O-N 3Å
83	M	60.4	Low	61.2	Low	102 Å²	102	95.3 Å²	95.3	50%	0.502	46%	0.462	S	S	.	.	H	α-helix	trans	-72	-29.8	175.6	-60.1	-59	-61.1	0	0	113.3	D81 L86 R87	D81-M83 PolarHBondContact O-N 3.47Å; D81-M83 WeakPolarHBondContact OD1-CB 3.42Å; D81-M83 WeakPolarHBondContact OD1-CG 3.4Å; D81-M83 PolarHBondContact OD1-N 2.82Å; M83-L86 WeakPolarHBondContact O-CB 3.46Å; M83-L86 PolarHBondContact O-N 3.48Å; M83-L86 HydrophobicContact SD-CD1 4.02Å; M83-R87 WeakPolarHBondContact O-CG 3.28Å; M83-R87 PolarHBondContact O-N 3.39Å
84	D	61.1	Low	61	Low	54 Å²	54	96.9 Å²	96.9	29%	0.289	47%	0.469	S	S	.	.	H	α-helix	trans	-71.8	-38.2	179.4	-90.5	-9.2	0	0	0	111.9	D81 L86 R87 Q88	D81-D84 HydrophobicContact CB-CB 4.28Å; D81-D84 PolarHBondContact O-N 3.21Å; D84-L86 VanDerWaalsContact C-N 3.3Å; D84-L86 PolarHBondContact O-N 2.88Å; D84-R87 PolarHBondContact O-N 3.5Å; D84-R87 IonicContact OD1-NH1 3.05Å; D84-Q88 WeakPolarHBondContact O-CG 3.49Å; D84-Q88 PolarHBondContact O-N 3.27Å
85	R	57.2	Low	60.7	Low	161 Å²	161	97.2 Å²	97.2	61%	0.608	47%	0.473	S	S	*	.	H	α-helix	trans	-61.2	-41.6	170.8	-176.1	175.3	178.9	167.6	-0.6	111.2	Q88 M89	R85-Q88 PolarHBondContact O-N 2.89Å; R85-M89 WeakPolarHBondContact O-CG 3.45Å; R85-M89 PolarHBondContact O-N 3.37Å
86	L	63.1	Low	60.6	Low	88 Å²	88	98.6 Å²	98.6	46%	0.461	48%	0.478	S	S	.	.	H	α-helix	trans	-63.5	-44.1	176.7	-77	167.8	0	0	0	111.9	P82 M83 D84 Q88 M89 Q90	P82-L86 PolarHBondContact O-N 3Å; M83-L86 WeakPolarHBondContact O-CB 3.46Å; M83-L86 PolarHBondContact O-N 3.48Å; M83-L86 HydrophobicContact SD-CD1 4.02Å; D84-L86 VanDerWaalsContact C-N 3.3Å; D84-L86 PolarHBondContact O-N 2.88Å; L86-Q88 PolarHBondContact O-N 3.29Å; L86-M89 PolarHBondContact O-N 3.12Å; L86-Q90 WeakPolarHBondContact O-CG 3.5Å; L86-Q90 PolarHBondContact O-N 2.87Å
87	R	68.8	Low	60.5	Low	157 Å²	157	99 Å²	99	59%	0.592	48%	0.481	S	S	*	.	H	α-helix	trans	-61.2	-41.9	175	-78.9	176.6	171.1	163.8	-2.8	112.5	M83 D84 M89 Q90 A91	M83-R87 WeakPolarHBondContact O-CG 3.28Å; M83-R87 PolarHBondContact O-N 3.39Å; D84-R87 PolarHBondContact O-N 3.5Å; D84-R87 IonicContact OD1-NH1 3.05Å; R87-M89 VanDerWaalsContact C-N 3.34Å; R87-M89 PolarHBondContact O-N 3.4Å; R87-Q90 WeakPolarHBondContact O-CB 3.43Å; R87-Q90 PolarHBondContact O-N 2.86Å; R87-A91 WeakPolarHBondContact O-CB 3.44Å; R87-A91 PolarHBondContact O-N 3.38Å
88	Q	66.7	Low	60.5	Low	79 Å²	79	104.7 Å²	104.7	37%	0.369	50%	0.5	S	S	.	.	H	α-helix	trans	-65	-39.6	176.6	-71.9	177.7	32.1	0	0	112	D84 R85 L86 Q90 A91 M92	D84-Q88 WeakPolarHBondContact O-CG 3.49Å; D84-Q88 PolarHBondContact O-N 3.27Å; R85-Q88 PolarHBondContact O-N 2.89Å; L86-Q88 PolarHBondContact O-N 3.29Å; Q88-Q90 VanDerWaalsContact C-N 3.32Å; Q88-A91 PolarHBondContact O-N 3.43Å; Q88-M92 VanDerWaalsContact O-CB 3.31Å; Q88-M92 WeakPolarHBondContact O-CB 3.37Å; Q88-M92 PolarHBondContact O-N 3.2Å
89	M	60.9	Low	60.7	Low	120 Å²	120	104.6 Å²	104.6	59%	0.591	51%	0.508	S	S	*	.	H	α-helix	trans	-65.7	-36.1	173.5	-71	-173.5	79.2	0	0	112	R85 L86 R87 R93	R85-M89 WeakPolarHBondContact O-CG 3.45Å; R85-M89 PolarHBondContact O-N 3.37Å; L86-M89 PolarHBondContact O-N 3.12Å; R87-M89 VanDerWaalsContact C-N 3.34Å; R87-M89 PolarHBondContact O-N 3.4Å; M89-R93 VanDerWaalsContact O-CB 3.24Å; M89-R93 WeakPolarHBondContact O-CB 3.15Å; M89-R93 PolarHBondContact O-N 3.37Å
90	Q	66.5	Low	60.8	Low	111 Å²	111	101.6 Å²	101.6	52%	0.519	49%	0.492	S	S	.	.	H	α-helix	trans	-65.8	-48.9	173.6	-74.7	173.1	-17.6	0	0	111.7	L86 R87 Q88 M92 R93 E94	L86-Q90 WeakPolarHBondContact O-CG 3.5Å; L86-Q90 PolarHBondContact O-N 2.87Å; R87-Q90 WeakPolarHBondContact O-CB 3.43Å; R87-Q90 PolarHBondContact O-N 2.86Å; Q88-Q90 VanDerWaalsContact C-N 3.32Å; Q90-M92 PolarHBondContact O-N 3.04Å; Q90-R93 CarbonylContact O-C 3.47Å; Q90-R93 WeakPolarHBondContact O-CA 3.18Å; Q90-R93 WeakPolarHBondContact O-CB 3.44Å; Q90-R93 PolarHBondContact O-N 3.08Å; Q90-E94 WeakPolarHBondContact O-CG 3.33Å; Q90-E94 PolarHBondContact O-N 3.4Å
91	A	72	Confident	60.5	Low	44 Å²	44	100 Å²	100	36%	0.364	48%	0.477	S	S	.	.	H	α-helix	trans	-61.4	-43	177.6	0	0	0	0	0	112	R87 Q88 R93 E94 Q95	R87-A91 WeakPolarHBondContact O-CB 3.44Å; R87-A91 PolarHBondContact O-N 3.38Å; Q88-A91 PolarHBondContact O-N 3.43Å; A91-R93 VanDerWaalsContact C-N 3.27Å; A91-R93 PolarHBondContact O-N 3.02Å; A91-E94 PolarHBondContact O-N 3.38Å; A91-Q95 WeakPolarHBondContact O-CG 3.45Å; A91-Q95 PolarHBondContact O-N 3.32Å
92	M	62.8	Low	60.2	Low	114 Å²	114	104.5 Å²	104.5	56%	0.562	50%	0.496	S	S	*	.	H	α-helix	trans	-59.8	-41.3	173.5	-175.3	-178.1	-176.4	0	0	111	Q88 Q90 F96	Q88-M92 VanDerWaalsContact O-CB 3.31Å; Q88-M92 WeakPolarHBondContact O-CB 3.37Å; Q88-M92 PolarHBondContact O-N 3.2Å; Q90-M92 PolarHBondContact O-N 3.04Å; M92-F96 HydrophobicContact CE-CD2 4.42Å; M92-F96 HydrophobicContact CE-CE2 3.95Å; M92-F96 HydrophobicContact CG-CD2 4.22Å; M92-F96 WeakPolarHBondContact O-CB 3.35Å; M92-F96 WeakPolarHBondContact O-CD2 3.35Å; M92-F96 PolarHBondContact O-N 3.47Å
93	R	59.5	Low	60.4	Low	96 Å²	96	104.4 Å²	104.4	36%	0.362	49%	0.491	S	S	.	.	H	α-helix	trans	-67.7	-37.6	177.1	-176	174.6	179.7	-78.6	-6	112.3	D15 M89 Q90 A91 F96 A97	D15-R93 IonicContact OD2-NH2 3.72Å; D15-R93 PolarHBondContact OD2-NH2 3.2Å; D15-R93 VanDerWaalsContact OD2-NH2 3.16Å; M89-R93 VanDerWaalsContact O-CB 3.24Å; M89-R93 WeakPolarHBondContact O-CB 3.15Å; M89-R93 PolarHBondContact O-N 3.37Å; Q90-R93 CarbonylContact O-C 3.47Å; Q90-R93 WeakPolarHBondContact O-CA 3.18Å; Q90-R93 WeakPolarHBondContact O-CB 3.44Å; Q90-R93 PolarHBondContact O-N 3.08Å; A91-R93 VanDerWaalsContact C-N 3.27Å; A91-R93 PolarHBondContact O-N 3.02Å; R93-F96 CarbonylContact O-C 3.56Å; R93-A97 WeakPolarHBondContact O-CB 3.45Å; R93-A97 PolarHBondContact O-N 3.19Å
94	E	65	Low	60	Low	115 Å²	115	102.9 Å²	102.9	54%	0.537	48%	0.479	S	S	.	.	H	α-helix	trans	-67.9	-45.5	176	-75.4	168.4	-174.1	0	0	111.2	Q90 A91 F96 A97 E98	Q90-E94 WeakPolarHBondContact O-CG 3.33Å; Q90-E94 PolarHBondContact O-N 3.4Å; A91-E94 PolarHBondContact O-N 3.38Å; E94-F96 VanDerWaalsContact C-N 3.3Å; E94-F96 PolarHBondContact O-N 2.86Å; E94-A97 CarbonylContact O-C 3.49Å; E94-A97 WeakPolarHBondContact O-CA 3.32Å; E94-A97 WeakPolarHBondContact O-CB 3.44Å; E94-A97 PolarHBondContact O-N 2.93Å; E94-E98 WeakPolarHBondContact O-CG 3.34Å; E94-E98 PolarHBondContact O-N 3.45Å
95	Q	62.3	Low	59.8	Low	127 Å²	127	108.3 Å²	108.3	59%	0.593	50%	0.503	S	S	*	.	H	α-helix	trans	-62.4	-37.5	174.5	-72	-175.1	-36.2	0	0	112.7	A91 A97 N99	A91-Q95 WeakPolarHBondContact O-CG 3.45Å; A91-Q95 PolarHBondContact O-N 3.32Å; Q95-A97 VanDerWaalsContact C-N 3.34Å; Q95-N99 PolarHBondContact O-N 2.95Å; Q95-N99 PolarHBondContact O-ND2 3.48Å
96	F	59.4	Low	60.1	Low	115 Å²	115	107.4 Å²	107.4	50%	0.504	51%	0.51	S	S	.	.	H	α-helix	trans	-73	-26.3	170.7	-97.7	-86.9	0	0	0	112.4	M92 R93 E94 W100	M92-F96 HydrophobicContact CE-CD2 4.42Å; M92-F96 HydrophobicContact CE-CE2 3.95Å; M92-F96 HydrophobicContact CG-CD2 4.22Å; M92-F96 WeakPolarHBondContact O-CB 3.35Å; M92-F96 WeakPolarHBondContact O-CD2 3.35Å; M92-F96 PolarHBondContact O-N 3.47Å; R93-F96 CarbonylContact O-C 3.56Å; E94-F96 VanDerWaalsContact C-N 3.3Å; E94-F96 PolarHBondContact O-N 2.86Å; F96-W100 AromaticContact CD1-CD1 3.95Å; F96-W100 AromaticContact CD1-NE1 3.68Å; F96-W100 AromaticContact CE1-NE1 3.98Å; F96-W100 WeakPolarHBondContact O-CB 3.34Å; F96-W100 PolarHBondContact O-N 3.22Å
97	A	59.6	Low	60	Low	19 Å²	19	104.9 Å²	104.9	16%	0.157	50%	0.497	C	S	.	.	H	α-helix	trans	-78.2	-50.1	178.2	0	0	0	0	0	110.4	R93 E94 Q95 N99 W100 Q101	R93-A97 WeakPolarHBondContact O-CB 3.45Å; R93-A97 PolarHBondContact O-N 3.19Å; E94-A97 CarbonylContact O-C 3.49Å; E94-A97 WeakPolarHBondContact O-CA 3.32Å; E94-A97 WeakPolarHBondContact O-CB 3.44Å; E94-A97 PolarHBondContact O-N 2.93Å; Q95-A97 VanDerWaalsContact C-N 3.34Å; A97-N99 VanDerWaalsContact C-N 3.25Å; A97-N99 PolarHBondContact O-N 2.92Å; A97-W100 CarbonylContact O-C 3.6Å; A97-W100 PolarHBondContact O-N 2.71Å; A97-Q101 VanDerWaalsContact O-CB 3.28Å; A97-Q101 WeakPolarHBondContact O-CB 3.39Å; A97-Q101 PolarHBondContact O-N 3.02Å
98	E	56.5	Low	59.9	Low	150 Å²	150	100.2 Å²	100.2	70%	0.701	49%	0.488	S	S	*	.	H	α-helix	trans	-53.4	-42	178.1	-74.3	-179.5	166.8	0	0	112.2	E94 W100	E94-E98 WeakPolarHBondContact O-CG 3.34Å; E94-E98 PolarHBondContact O-N 3.45Å; E98-W100 VanDerWaalsContact C-N 3.33Å; E98-W100 PolarHBondContact O-N 2.76Å
99	N	56.3	Low	59.9	Low	116 Å²	116	103.7 Å²	103.7	62%	0.62	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-11.6	178.6	-72	-41.9	0	0	0	114.6	Q95 A97	Q95-N99 PolarHBondContact O-N 2.95Å; Q95-N99 PolarHBondContact O-ND2 3.48Å; A97-N99 VanDerWaalsContact C-N 3.25Å; A97-N99 PolarHBondContact O-N 2.92Å
100	W	53.5	Low	60.4	Low	89 Å²	89	105.4 Å²	105.4	34%	0.337	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.9	-14.4	-171.6	-68.1	77.8	0	0	0	114.2	F96 A97 E98 E102 D103 W104 I115	F96-W100 AromaticContact CD1-CD1 3.95Å; F96-W100 AromaticContact CD1-NE1 3.68Å; F96-W100 AromaticContact CE1-NE1 3.98Å; F96-W100 WeakPolarHBondContact O-CB 3.34Å; F96-W100 PolarHBondContact O-N 3.22Å; A97-W100 CarbonylContact O-C 3.6Å; A97-W100 PolarHBondContact O-N 2.71Å; E98-W100 VanDerWaalsContact C-N 3.33Å; E98-W100 PolarHBondContact O-N 2.76Å; W100-E102 PolarHBondContact O-N 2.94Å; W100-D103 PolarHBondContact O-N 2.79Å; W100-W104 HydrophobicContact CE3-CZ2 4.5Å; W100-W104 AromaticContact CE3-NE1 3.37Å; W100-W104 PolarHBondContact O-N 3.41Å; W100-I115 HydrophobicContact CE3-CG2 4.39Å; W100-I115 HydrophobicContact CH2-CG2 3.87Å; W100-I115 HydrophobicContact CZ3-CB 4.5Å; W100-I115 HydrophobicContact CZ3-CD1 4.24Å; W100-I115 HydrophobicContact CZ3-CG1 4.34Å; W100-I115 HydrophobicContact CZ3-CG2 3.39Å
101	Q	49.4	Very low	60.5	Low	89 Å²	89	104.1 Å²	104.1	42%	0.416	51%	0.505	S	S	.	.	H	α-helix	trans	-69.8	-32.7	-174	-126.6	151.5	-5.2	0	0	112.8	A97	A97-Q101 VanDerWaalsContact O-CB 3.28Å; A97-Q101 WeakPolarHBondContact O-CB 3.39Å; A97-Q101 PolarHBondContact O-N 3.02Å
102	E	52.1	Low	60.2	Low	156 Å²	156	104.7 Å²	104.7	73%	0.729	50%	0.5	S	S	*	.	H	α-helix	trans	-78.2	-30	175.6	-66.8	-173.3	161.6	0	0	112.2	W100 N106	W100-E102 PolarHBondContact O-N 2.94Å; E102-N106 PolarHBondContact O-ND2 2.78Å
103	D	55.2	Low	60.7	Low	91 Å²	91	104.1 Å²	104.1	49%	0.487	50%	0.496	S	S	.	.	H	α-helix	trans	-79.2	-45	-178.3	-73.4	-22	0	0	0	112	W100 Q105 N106 L107	W100-D103 PolarHBondContact O-N 2.79Å; D103-Q105 VanDerWaalsContact C-N 3.27Å; D103-Q105 PolarHBondContact O-N 3.4Å; D103-Q105 VanDerWaalsContact O-N 3.12Å; D103-N106 PolarHBondContact O-N 3.04Å; D103-N106 VanDerWaalsContact O-N 3.09Å; D103-L107 HydrophobicContact CB-CD1 4.1Å; D103-L107 WeakPolarHBondContact O-CD1 3.34Å; D103-L107 WeakPolarHBondContact O-CG 3.04Å; D103-L107 PolarHBondContact O-N 3.23Å; D103-L107 VanDerWaalsContact O-N 3.16Å
104	W	52.6	Low	61.6	Low	69 Å²	69	108.7 Å²	108.7	26%	0.261	51%	0.513	S	S	.	.	H	α-helix	trans	-58.8	-31.5	-174.6	-84.6	104.9	0	0	0	115	W100 Q112 I115 R116	W100-W104 HydrophobicContact CE3-CZ2 4.5Å; W100-W104 AromaticContact CE3-NE1 3.37Å; W100-W104 PolarHBondContact O-N 3.41Å; W104-Q112 HydrophobicContact CE3-CG 4.01Å; W104-Q112 HydrophobicContact CZ3-CB 3.94Å; W104-Q112 HydrophobicContact CZ3-CG 3.95Å; W104-Q112 PolarHBondContact O-NE2 2.98Å; W104-I115 HydrophobicContact CH2-CB 4.36Å; W104-I115 HydrophobicContact CH2-CG2 3.7Å; W104-I115 HydrophobicContact CZ2-CG2 3.51Å; W104-R116 HydrophobicContact CH2-CG 4.01Å
105	Q	57.7	Low	61.7	Low	169 Å²	169	104.5 Å²	104.5	79%	0.79	49%	0.494	S	S	*	.	H	α-helix	trans	-81.2	-21.1	-178.7	-62	-170.3	22	0	0	113.2	D103	D103-Q105 VanDerWaalsContact C-N 3.27Å; D103-Q105 PolarHBondContact O-N 3.4Å; D103-Q105 VanDerWaalsContact O-N 3.12Å
106	N	62.8	Low	62.1	Low	141 Å²	141	105.4 Å²	105.4	75%	0.754	49%	0.492	S	S	*	.	H	α-helix	trans	-102.8	-10.3	-176.5	-69	-45	0	0	0	113.7	E102 D103	E102-N106 PolarHBondContact O-ND2 2.78Å; D103-N106 PolarHBondContact O-N 3.04Å; D103-N106 VanDerWaalsContact O-N 3.09Å
107	L	59.7	Low	62.9	Low	36 Å²	36	105.2 Å²	105.2	19%	0.188	49%	0.492	C	S	.	.	S	Bend	trans	-77.1	136.9	-179.8	-71.7	158.2	0	0	0	111.9	D103 E111 Q112 I115	D103-L107 HydrophobicContact CB-CD1 4.1Å; D103-L107 WeakPolarHBondContact O-CD1 3.34Å; D103-L107 WeakPolarHBondContact O-CG 3.04Å; D103-L107 PolarHBondContact O-N 3.23Å; D103-L107 VanDerWaalsContact O-N 3.16Å; L107-E111 HydrophobicContact CB-CB 4.08Å; L107-E111 HydrophobicContact CD2-CB 3.64Å; L107-E111 HydrophobicContact CD2-CG 4.27Å; L107-E111 HydrophobicContact CG-CB 4.42Å; L107-Q112 HydrophobicContact CB-CG 4.03Å; L107-I115 HydrophobicContact CD1-CD1 3.36Å; L107-I115 HydrophobicContact CD2-CD1 4.08Å; L107-I115 HydrophobicContact CG-CD1 4.34Å
108	S	67.9	Low	63.7	Low	58 Å²	58	109.7 Å²	109.7	41%	0.406	51%	0.51	S	S	.	.			trans	-64.4	158.4	172.3	76.2	0	0	0	0	110.9	E110 E111 Q112	S108-E110 PolarHBondContact O-N 3.48Å; S108-E110 VanDerWaalsContact O-N 3.09Å; S108-E111 PolarHBondContact N-OE2 2.93Å; S108-E111 PolarHBondContact O-N 3.2Å; S108-E111 PolarHBondContact OG-N 2.84Å; S108-E111 PolarHBondContact OG-OE2 3.28Å; S108-Q112 WeakPolarHBondContact O-CG 3.39Å; S108-Q112 PolarHBondContact O-N 3.46Å
109	Q	66.9	Low	64.1	Low	153 Å²	153	107.2 Å²	107.2	72%	0.715	50%	0.5	S	S	*	.	H	α-helix	trans	-53.8	-34.3	178.7	-72.3	-166.2	16.5	0	0	112.5	H113	Q109-H113 PolarHBondContact O-CD2 2.99Å; Q109-H113 PolarHBondContact O-N 3.22Å
110	E	72	Confident	64.8	Low	155 Å²	155	108 Å²	108	72%	0.724	50%	0.5	S	S	*	.	H	α-helix	trans	-68.2	-38.7	178.6	-64.1	-173.4	170.4	0	0	112.4	S108 H113 R114	S108-E110 PolarHBondContact O-N 3.48Å; S108-E110 VanDerWaalsContact O-N 3.09Å; E110-H113 PolarHBondContact O-N 3.1Å; E110-R114 WeakPolarHBondContact O-CG 3.2Å; E110-R114 PolarHBondContact O-N 3.4Å
111	E	67.1	Low	65.8	Low	85 Å²	85	112.9 Å²	112.9	40%	0.397	52%	0.518	S	S	.	.	H	α-helix	trans	-71.3	-38.8	177.7	-67.1	171.7	134.1	0	0	111.3	L107 S108 H113 R114 I115	L107-E111 HydrophobicContact CB-CB 4.08Å; L107-E111 HydrophobicContact CD2-CB 3.64Å; L107-E111 HydrophobicContact CD2-CG 4.27Å; L107-E111 HydrophobicContact CG-CB 4.42Å; S108-E111 PolarHBondContact N-OE2 2.93Å; S108-E111 PolarHBondContact O-N 3.2Å; S108-E111 PolarHBondContact OG-N 2.84Å; S108-E111 PolarHBondContact OG-OE2 3.28Å; E111-H113 VanDerWaalsContact C-N 3.3Å; E111-H113 PolarHBondContact O-N 3.5Å; E111-R114 PolarHBondContact O-N 3.39Å; E111-I115 WeakPolarHBondContact O-CB 3.11Å; E111-I115 WeakPolarHBondContact O-CD1 3.45Å; E111-I115 WeakPolarHBondContact O-CG1 3.16Å; E111-I115 PolarHBondContact O-N 3Å
112	Q	66.4	Low	66.7	Low	55 Å²	55	113.8 Å²	113.8	26%	0.257	52%	0.523	S	S	.	.	H	α-helix	trans	-58	-42.4	171.5	-67.7	-178.3	-4.7	0	0	111.7	W104 L107 S108 R116	W104-Q112 HydrophobicContact CE3-CG 4.01Å; W104-Q112 HydrophobicContact CZ3-CB 3.94Å; W104-Q112 HydrophobicContact CZ3-CG 3.95Å; W104-Q112 PolarHBondContact O-NE2 2.98Å; L107-Q112 HydrophobicContact CB-CG 4.03Å; S108-Q112 WeakPolarHBondContact O-CG 3.39Å; S108-Q112 PolarHBondContact O-N 3.46Å; Q112-R116 WeakPolarHBondContact O-CG 3.4Å; Q112-R116 PolarHBondContact O-N 3.21Å
113	H	73.7	Confident	67.2	Low	103 Å²	103	112.7 Å²	112.7	48%	0.477	52%	0.519	S	S	.	.	H	α-helix	trans	-64	-44.5	175.6	-84.3	-64.7	0	0	0	112.3	Q109 E110 E111 I115 R116 H117	Q109-H113 PolarHBondContact O-CD2 2.99Å; Q109-H113 PolarHBondContact O-N 3.22Å; E110-H113 PolarHBondContact O-N 3.1Å; E111-H113 VanDerWaalsContact C-N 3.3Å; E111-H113 PolarHBondContact O-N 3.5Å; H113-I115 PolarHBondContact O-N 3.3Å; H113-R116 PolarHBondContact O-N 3.01Å; H113-H117 PolarHBondContact O-CD2 3.04Å; H113-H117 PolarHBondContact O-N 3.12Å
114	R	77.1	Confident	67.8	Low	191 Å²	191	116.3 Å²	116.3	72%	0.721	53%	0.526	S	S	*	.	H	α-helix	trans	-60.5	-45.7	177	-74.3	-179.2	66.1	-162.2	-2.3	112	E110 E111 H117 Q118	E110-R114 WeakPolarHBondContact O-CG 3.2Å; E110-R114 PolarHBondContact O-N 3.4Å; E111-R114 PolarHBondContact O-N 3.39Å; R114-H117 PolarHBondContact O-N 3.37Å; R114-Q118 PolarHBondContact O-N 3.33Å
115	I	67.9	Low	68.7	Low	28 Å²	28	117.3 Å²	117.3	14%	0.144	54%	0.536	C	S	.	.	H	α-helix	trans	-62.6	-46.2	178.6	-73.1	162.1	0	0	0	111	W100 W104 L107 E111 H113 H117 Q118 M119	W100-I115 HydrophobicContact CE3-CG2 4.39Å; W100-I115 HydrophobicContact CH2-CG2 3.87Å; W100-I115 HydrophobicContact CZ3-CB 4.5Å; W100-I115 HydrophobicContact CZ3-CD1 4.24Å; W100-I115 HydrophobicContact CZ3-CG1 4.34Å; W100-I115 HydrophobicContact CZ3-CG2 3.39Å; W104-I115 HydrophobicContact CH2-CB 4.36Å; W104-I115 HydrophobicContact CH2-CG2 3.7Å; W104-I115 HydrophobicContact CZ2-CG2 3.51Å; L107-I115 HydrophobicContact CD1-CD1 3.36Å; L107-I115 HydrophobicContact CD2-CD1 4.08Å; L107-I115 HydrophobicContact CG-CD1 4.34Å; E111-I115 WeakPolarHBondContact O-CB 3.11Å; E111-I115 WeakPolarHBondContact O-CD1 3.45Å; E111-I115 WeakPolarHBondContact O-CG1 3.16Å; E111-I115 PolarHBondContact O-N 3Å; H113-I115 PolarHBondContact O-N 3.3Å; I115-H117 VanDerWaalsContact C-N 3.3Å; I115-H117 PolarHBondContact O-N 2.7Å; I115-Q118 PolarHBondContact O-N 3Å; I115-M119 WeakPolarHBondContact O-CB 3.31Å; I115-M119 PolarHBondContact O-N 3.46Å
116	R	70.1	Confident	68.7	Low	145 Å²	145	111.8 Å²	111.8	55%	0.547	52%	0.52	S	S	.	.	H	α-helix	trans	-57.7	-44.1	175.6	-77.8	-173.8	-175.2	178.1	4.8	112	W104 Q112 H113 M119 Q120	W104-R116 HydrophobicContact CH2-CG 4.01Å; Q112-R116 WeakPolarHBondContact O-CG 3.4Å; Q112-R116 PolarHBondContact O-N 3.21Å; H113-R116 PolarHBondContact O-N 3.01Å; R116-M119 PolarHBondContact O-N 2.8Å; R116-Q120 WeakPolarHBondContact O-CB 3.47Å; R116-Q120 PolarHBondContact O-N 3.3Å
117	H	75.9	Confident	68.4	Low	111 Å²	111	107.9 Å²	107.9	51%	0.514	50%	0.504	S	S	.	.	H	α-helix	trans	-66	-37.8	178.1	-79	-56.4	0	0	0	112.8	H113 R114 I115 R121	H113-H117 PolarHBondContact O-CD2 3.04Å; H113-H117 PolarHBondContact O-N 3.12Å; R114-H117 PolarHBondContact O-N 3.37Å; I115-H117 VanDerWaalsContact C-N 3.3Å; I115-H117 PolarHBondContact O-N 2.7Å; H117-R121 WeakPolarHBondContact O-CG 3.46Å; H117-R121 PolarHBondContact O-N 3.49Å
118	Q	76.6	Confident	68.4	Low	113 Å²	113	113.2 Å²	113.2	53%	0.528	52%	0.521	S	S	.	.	H	α-helix	trans	-65.1	-49.6	174.5	-177.6	175.8	-12.8	0	0	111.2	R114 I115 Q120 R121 E122	R114-Q118 PolarHBondContact O-N 3.33Å; I115-Q118 PolarHBondContact O-N 3Å; Q118-Q120 VanDerWaalsContact C-N 3.29Å; Q118-Q120 PolarHBondContact O-N 2.88Å; Q118-R121 WeakPolarHBondContact O-CB 3.24Å; Q118-R121 PolarHBondContact O-N 3.32Å; Q118-E122 PolarHBondContact NE2-OE1 3.09Å; Q118-E122 PolarHBondContact O-N 3.05Å
119	M	65.5	Low	67.6	Low	99 Å²	99	116.5 Å²	116.5	49%	0.488	53%	0.53	S	S	.	.	H	α-helix	trans	-59.3	-40.7	178.9	-168.1	-176.5	77.5	0	0	111.7	I115 R116 R121 E122 M123	I115-M119 WeakPolarHBondContact O-CB 3.31Å; I115-M119 PolarHBondContact O-N 3.46Å; R116-M119 PolarHBondContact O-N 2.8Å; M119-R121 VanDerWaalsContact C-N 3.3Å; M119-R121 PolarHBondContact O-N 3.49Å; M119-E122 PolarHBondContact O-N 3.16Å; M119-M123 WeakPolarHBondContact O-CB 3.4Å; M119-M123 WeakPolarHBondContact O-CG 3.49Å; M119-M123 PolarHBondContact O-N 3.12Å
120	Q	71.4	Confident	66.5	Low	133 Å²	133	115.6 Å²	115.6	62%	0.621	52%	0.524	S	S	*	.	H	α-helix	trans	-64.8	-33.6	176.9	-164.2	172.8	28.8	0	0	112.3	R116 Q118 R124	R116-Q120 WeakPolarHBondContact O-CB 3.47Å; R116-Q120 PolarHBondContact O-N 3.3Å; Q118-Q120 VanDerWaalsContact C-N 3.29Å; Q118-Q120 PolarHBondContact O-N 2.88Å; Q120-R124 VanDerWaalsContact O-CB 3.29Å; Q120-R124 WeakPolarHBondContact O-CB 3.12Å; Q120-R124 PolarHBondContact O-N 2.88Å
121	R	74	Confident	65.5	Low	190 Å²	190	110.7 Å²	110.7	72%	0.717	51%	0.506	S	S	*	.	H	α-helix	trans	-70.5	-45.8	173.8	-73.1	175.4	179.7	-160.7	1.1	111.6	H117 Q118 M119 R124 N125	H117-R121 WeakPolarHBondContact O-CG 3.46Å; H117-R121 PolarHBondContact O-N 3.49Å; Q118-R121 WeakPolarHBondContact O-CB 3.24Å; Q118-R121 PolarHBondContact O-N 3.32Å; M119-R121 VanDerWaalsContact C-N 3.3Å; M119-R121 PolarHBondContact O-N 3.49Å; R121-R124 PolarHBondContact O-N 3.26Å; R121-N125 PolarHBondContact O-N 2.96Å
122	E	68.3	Low	64.8	Low	109 Å²	109	116.4 Å²	116.4	51%	0.509	52%	0.524	S	S	.	.	H	α-helix	trans	-62.9	-45.3	178.7	-73.7	176.9	-166.2	0	0	111.6	Q118 M119 R124 N125 A126	Q118-E122 PolarHBondContact NE2-OE1 3.09Å; Q118-E122 PolarHBondContact O-N 3.05Å; M119-E122 PolarHBondContact O-N 3.16Å; E122-R124 VanDerWaalsContact C-N 3.28Å; E122-R124 PolarHBondContact O-N 3.2Å; E122-N125 PolarHBondContact O-N 2.84Å; E122-N125 VanDerWaalsContact O-N 3.13Å; E122-A126 WeakPolarHBondContact O-CB 3.23Å; E122-A126 PolarHBondContact O-N 2.98Å
123	M	62.9	Low	64	Low	133 Å²	133	120.7 Å²	120.7	66%	0.655	55%	0.549	S	S	*	.	H	α-helix	trans	-61	-36.7	174	-75.1	-150.8	115.6	0	0	112.6	M119 N125 S127	M119-M123 WeakPolarHBondContact O-CB 3.4Å; M119-M123 WeakPolarHBondContact O-CG 3.49Å; M119-M123 PolarHBondContact O-N 3.12Å; M123-N125 VanDerWaalsContact C-N 3.32Å; M123-S127 VanDerWaalsContact O-CB 3.29Å; M123-S127 WeakPolarHBondContact O-CB 3.47Å; M123-S127 PolarHBondContact O-N 3.31Å; M123-S127 PolarHBondContact O-OG 2.82Å
124	R	66.9	Low	62.6	Low	167 Å²	167	121 Å²	121	63%	0.63	55%	0.549	S	S	*	.	H	α-helix	trans	-70	-30.8	177.6	-158.4	172.8	-177.1	-179.9	0.2	112.2	Q120 R121 E122 S127 R128	Q120-R124 VanDerWaalsContact O-CB 3.29Å; Q120-R124 WeakPolarHBondContact O-CB 3.12Å; Q120-R124 PolarHBondContact O-N 2.88Å; R121-R124 PolarHBondContact O-N 3.26Å; E122-R124 VanDerWaalsContact C-N 3.28Å; E122-R124 PolarHBondContact O-N 3.2Å; R124-S127 WeakPolarHBondContact CA-OG 3.17Å; R124-S127 PolarHBondContact O-OG 3.16Å; R124-R128 WeakPolarHBondContact O-CG 3.27Å; R124-R128 PolarHBondContact O-N 2.89Å
125	N	71.8	Confident	61.1	Low	89 Å²	89	117.8 Å²	117.8	48%	0.476	55%	0.547	S	S	.	.	H	α-helix	trans	-75.4	-46.2	172.3	-72	-17.2	0	0	0	111.7	R121 E122 M123 S127 R128 E129	R121-N125 PolarHBondContact O-N 2.96Å; E122-N125 PolarHBondContact O-N 2.84Å; E122-N125 VanDerWaalsContact O-N 3.13Å; M123-N125 VanDerWaalsContact C-N 3.32Å; N125-S127 VanDerWaalsContact C-N 3.34Å; N125-S127 PolarHBondContact O-N 2.79Å; N125-R128 CarbonylContact O-C 3.53Å; N125-R128 WeakPolarHBondContact O-CA 3.43Å; N125-R128 WeakPolarHBondContact O-CB 2.96Å; N125-R128 PolarHBondContact O-N 3.22Å; N125-E129 PolarHBondContact O-N 3.09Å
126	A	57.8	Low	60.3	Low	54 Å²	54	123.9 Å²	123.9	45%	0.446	57%	0.574	S	S	.	*	H	α-helix	trans	-61.1	-40.8	177.5	0	0	0	0	0	112.2	E122 R128 E129 F130	E122-A126 WeakPolarHBondContact O-CB 3.23Å; E122-A126 PolarHBondContact O-N 2.98Å; A126-R128 VanDerWaalsContact C-N 3.31Å; A126-R128 PolarHBondContact O-N 2.88Å; A126-E129 PolarHBondContact O-N 3.46Å; A126-F130 VanDerWaalsContact O-CB 3.29Å; A126-F130 WeakPolarHBondContact O-CB 2.9Å; A126-F130 PolarHBondContact O-N 3.09Å
127	S	57.2	Low	59.3	Low	59 Å²	59	121.4 Å²	121.4	41%	0.413	57%	0.572	S	S	.	*	H	α-helix	trans	-66.7	-30.6	173.7	55.6	0	0	0	0	113	M123 R124 N125 S131	M123-S127 VanDerWaalsContact O-CB 3.29Å; M123-S127 WeakPolarHBondContact O-CB 3.47Å; M123-S127 PolarHBondContact O-N 3.31Å; M123-S127 PolarHBondContact O-OG 2.82Å; R124-S127 WeakPolarHBondContact CA-OG 3.17Å; R124-S127 PolarHBondContact O-OG 3.16Å; N125-S127 VanDerWaalsContact C-N 3.34Å; N125-S127 PolarHBondContact O-N 2.79Å; S127-S131 VanDerWaalsContact O-CB 3.23Å; S127-S131 WeakPolarHBondContact O-CB 2.88Å; S127-S131 PolarHBondContact O-N 2.75Å; S127-S131 PolarHBondContact O-OG 2.98Å
128	R	58.2	Low	57.8	Low	148 Å²	148	122 Å²	122	56%	0.558	57%	0.573	S	S	*	*	H	α-helix	trans	-70.7	-41.6	172.2	-84.3	175.6	173.4	-172.9	-2	112	R124 N125 A126 S131 R132	R124-R128 WeakPolarHBondContact O-CG 3.27Å; R124-R128 PolarHBondContact O-N 2.89Å; N125-R128 CarbonylContact O-C 3.53Å; N125-R128 WeakPolarHBondContact O-CA 3.43Å; N125-R128 WeakPolarHBondContact O-CB 2.96Å; N125-R128 PolarHBondContact O-N 3.22Å; A126-R128 VanDerWaalsContact C-N 3.31Å; A126-R128 PolarHBondContact O-N 2.88Å; R128-S131 PolarHBondContact O-N 3.37Å; R128-R132 WeakPolarHBondContact O-CB 3.47Å; R128-R132 VanDerWaalsContact O-CG 3.24Å; R128-R132 WeakPolarHBondContact O-CG 3.36Å; R128-R132 PolarHBondContact O-N 3.42Å
129	E	51.3	Low	56.5	Low	127 Å²	127	125 Å²	125	59%	0.593	58%	0.58	S	S	*	*	H	α-helix	trans	-65.1	-44	174.5	-72.9	179	177.1	0	0	111.2	N125 A126 S131 R132 N133	N125-E129 PolarHBondContact O-N 3.09Å; A126-E129 PolarHBondContact O-N 3.46Å; E129-S131 VanDerWaalsContact C-N 3.33Å; E129-S131 PolarHBondContact O-N 3.02Å; E129-R132 PolarHBondContact O-N 3Å; E129-N133 PolarHBondContact O-N 2.98Å
130	F	43.5	Very low	55.7	Low	134 Å²	134	129.9 Å²	129.9	59%	0.588	59%	0.592	S	S	*	*	H	α-helix	trans	-60.7	-42.3	174	-172.4	-96.7	0	0	0	111.9	A126 R132 N133 F134	A126-F130 VanDerWaalsContact O-CB 3.29Å; A126-F130 WeakPolarHBondContact O-CB 2.9Å; A126-F130 PolarHBondContact O-N 3.09Å; F130-R132 VanDerWaalsContact C-N 3.34Å; F130-N133 PolarHBondContact O-N 3.35Å; F130-F134 HydrophobicContact CD1-CD2 4.28Å; F130-F134 AromaticContact CE1-CD2 3.76Å; F130-F134 HydrophobicContact CE1-CD2 3.76Å; F130-F134 AromaticContact CE1-CE2 3.79Å; F130-F134 HydrophobicContact CE1-CE2 3.79Å; F130-F134 HydrophobicContact CE2-CD2 4.29Å; F130-F134 HydrophobicContact CE2-CE2 4Å; F130-F134 AromaticContact CZ-CD2 3.77Å; F130-F134 HydrophobicContact CZ-CD2 3.77Å; F130-F134 AromaticContact CZ-CE2 3.39Å; F130-F134 HydrophobicContact CZ-CE2 3.39Å; F130-F134 HydrophobicContact CZ-CZ 4.33Å; F130-F134 PolarHBondContact O-N 2.91Å; F130-F134 VanDerWaalsContact O-N 3.12Å
131	S	52.5	Low	54.8	Low	51 Å²	51	129.1 Å²	129.1	36%	0.357	59%	0.593	S	S	.	*	H	α-helix	trans	-72.1	-24.6	177	-60.5	0	0	0	0	113.6	S127 R128 E129	S127-S131 VanDerWaalsContact O-CB 3.23Å; S127-S131 WeakPolarHBondContact O-CB 2.88Å; S127-S131 PolarHBondContact O-N 2.75Å; S127-S131 PolarHBondContact O-OG 2.98Å; R128-S131 PolarHBondContact O-N 3.37Å; E129-S131 VanDerWaalsContact C-N 3.33Å; E129-S131 PolarHBondContact O-N 3.02Å
132	R	52.2	Low	53.4	Low	205 Å²	205	125.5 Å²	125.5	77%	0.774	58%	0.582	S	S	*	*	H	α-helix	trans	-75.7	-33.1	174.4	-82.1	173.4	165.8	175.7	-5.6	112.2	R128 E129 F130	R128-R132 WeakPolarHBondContact O-CB 3.47Å; R128-R132 VanDerWaalsContact O-CG 3.24Å; R128-R132 WeakPolarHBondContact O-CG 3.36Å; R128-R132 PolarHBondContact O-N 3.42Å; E129-R132 PolarHBondContact O-N 3Å; F130-R132 VanDerWaalsContact C-N 3.34Å
133	N	49.9	Very low	52.2	Low	145 Å²	145	129.4 Å²	129.4	78%	0.775	59%	0.593	S	S	*	*	H	α-helix	trans	-84.4	-16	177.7	-68.9	-8.9	0	0	0	112.9	E129 F130	E129-N133 PolarHBondContact O-N 2.98Å; F130-N133 PolarHBondContact O-N 3.35Å
134	F	43.2	Very low	51.6	Low	110 Å²	110	125.7 Å²	125.7	48%	0.482	59%	0.588	S	S	.	*	S	Bend	trans	-83.7	117.2	168.2	-106.4	-95.6	0	0	0	109.7	F130 H136	F130-F134 HydrophobicContact CD1-CD2 4.28Å; F130-F134 AromaticContact CE1-CD2 3.76Å; F130-F134 HydrophobicContact CE1-CD2 3.76Å; F130-F134 AromaticContact CE1-CE2 3.79Å; F130-F134 HydrophobicContact CE1-CE2 3.79Å; F130-F134 HydrophobicContact CE2-CD2 4.29Å; F130-F134 HydrophobicContact CE2-CE2 4Å; F130-F134 AromaticContact CZ-CD2 3.77Å; F130-F134 HydrophobicContact CZ-CD2 3.77Å; F130-F134 AromaticContact CZ-CE2 3.39Å; F130-F134 HydrophobicContact CZ-CE2 3.39Å; F130-F134 HydrophobicContact CZ-CZ 4.33Å; F130-F134 PolarHBondContact O-N 2.91Å; F130-F134 VanDerWaalsContact O-N 3.12Å; F134-H136 PolarHBondContact O-N 2.69Å; F134-H136 VanDerWaalsContact O-N 3.11Å
135	N	46.9	Very low	50.6	Low	124 Å²	124	121 Å²	121	66%	0.663	58%	0.576	S	S	*	*			trans	-44.8	120.8	174.3	-109.1	-29.8	0	0	0	110.4	D137 F138	N135-D137 PolarHBondContact O-N 3.36Å; N135-F138 PolarHBondContact O-N 3.05Å
136	H	50.6	Low	49.6	Very low	156 Å²	156	121.2 Å²	121.2	72%	0.722	58%	0.582	S	S	*	*	H	α-helix	trans	-55	-24.2	178.6	-112.2	-48.3	0	0	0	112.2	F134 F138 R139 R140	F134-H136 PolarHBondContact O-N 2.69Å; F134-H136 VanDerWaalsContact O-N 3.11Å; H136-F138 VanDerWaalsContact C-N 3.35Å; H136-F138 PolarHBondContact O-N 2.64Å; H136-R139 PolarHBondContact O-N 2.86Å; H136-R140 PolarHBondContact O-N 3.33Å
137	D	49	Very low	49.3	Very low	93 Å²	93	124 Å²	124	50%	0.497	59%	0.589	S	S	.	*	H	α-helix	trans	-66.4	-31.7	177.7	-62.1	-25.7	0	0	0	112.9	N135 R139 R140 N141	N135-D137 PolarHBondContact O-N 3.36Å; D137-R139 PolarHBondContact O-N 2.77Å; D137-R140 PolarHBondContact O-N 3.05Å; D137-N141 WeakPolarHBondContact O-CB 3.27Å; D137-N141 PolarHBondContact O-N 3.09Å; D137-N141 PolarHBondContact O-ND2 2.97Å
138	F	44.3	Very low	48.6	Very low	123 Å²	123	124.9 Å²	124.9	54%	0.539	60%	0.595	S	S	.	*	H	α-helix	trans	-67	-39.5	-180	-162.3	-91.2	0	0	0	111.5	N135 H136 F142	N135-F138 PolarHBondContact O-N 3.05Å; H136-F138 VanDerWaalsContact C-N 3.35Å; H136-F138 PolarHBondContact O-N 2.64Å; F138-F142 HydrophobicContact CD1-CB 4.45Å; F138-F142 HydrophobicContact CE1-CB 4.33Å; F138-F142 HydrophobicContact CE1-CD2 4.48Å; F138-F142 HydrophobicContact CE1-CG 4.36Å; F138-F142 HydrophobicContact CZ-CD2 4.42Å; F138-F142 WeakPolarHBondContact O-CB 3.48Å; F138-F142 PolarHBondContact O-N 3Å
139	R	50	Low	47.8	Very low	176 Å²	176	127 Å²	127	66%	0.664	60%	0.604	S	S	*	*	H	α-helix	trans	-68.2	-38.7	175.3	-82.4	-166.4	178.7	-154.1	1.8	112.6	H136 D137 W143	H136-R139 PolarHBondContact O-N 2.86Å; D137-R139 PolarHBondContact O-N 2.77Å; R139-W143 PolarHBondContact O-N 2.87Å
140	R	48.9	Very low	47.3	Very low	201 Å²	201	127.3 Å²	127.3	76%	0.758	61%	0.61	S	S	*	*	H	α-helix	trans	-70.2	-41.7	177.9	-100.4	-173.9	165.4	-164.7	-4.2	112.5	H136 D137 G144	H136-R140 PolarHBondContact O-N 3.33Å; D137-R140 PolarHBondContact O-N 3.05Å; R140-G144 WeakPolarHBondContact O-CA 3.33Å; R140-G144 PolarHBondContact O-N 3.02Å; R140-G144 VanDerWaalsContact O-N 3.14Å
141	N	50.5	Low	47.4	Very low	118 Å²	118	124 Å²	124	63%	0.631	61%	0.613	S	S	*	*	H	α-helix	trans	-82.3	-26.5	-174.5	-63.2	-14.6	0	0	0	112.8	D137	D137-N141 WeakPolarHBondContact O-CB 3.27Å; D137-N141 PolarHBondContact O-N 3.09Å; D137-N141 PolarHBondContact O-ND2 2.97Å
142	F	44.7	Very low	46.7	Very low	113 Å²	113	127.8 Å²	127.8	50%	0.496	64%	0.637	S	S	.	*	H	α-helix	trans	-91.9	-43.2	-179.3	-168.8	-91.3	0	0	0	113.4	F138 C148	F138-F142 HydrophobicContact CD1-CB 4.45Å; F138-F142 HydrophobicContact CE1-CB 4.33Å; F138-F142 HydrophobicContact CE1-CD2 4.48Å; F138-F142 HydrophobicContact CE1-CG 4.36Å; F138-F142 HydrophobicContact CZ-CD2 4.42Å; F138-F142 WeakPolarHBondContact O-CB 3.48Å; F138-F142 PolarHBondContact O-N 3Å; F142-C148 PolarHBondContact O-SG 2.93Å
143	W	45.1	Very low	46.2	Very low	192 Å²	192	124.9 Å²	124.9	73%	0.727	64%	0.637	S	S	*	*	H	α-helix	trans	-100.9	-10.7	-177.4	-64.7	97.7	0	0	0	114	R139	R139-W143 PolarHBondContact O-N 2.87Å
144	G	50	Low	45.6	Very low	55 Å²	55	127.8 Å²	127.8	57%	0.567	64%	0.642	S	S	*	*	S	Bend	trans	-106.2	3.2	-178.7	0	0	0	0	0	114.7	R140 P146	R140-G144 WeakPolarHBondContact O-CA 3.33Å; R140-G144 PolarHBondContact O-N 3.02Å; R140-G144 VanDerWaalsContact O-N 3.14Å; G144-P146 WeakPolarHBondContact O-CD 3.42Å
145	N	45.4	Very low	45.3	Very low	67 Å²	67	128 Å²	128	36%	0.358	65%	0.652	S	S	.	*			trans	-82.7	119.5	179	-164.3	4.5	0	0	0	110.2	D147 C148	N145-D147 PolarHBondContact O-N 3.5Å; N145-D147 VanDerWaalsContact O-N 3.1Å; N145-D147 PolarHBondContact OD1-N 3.47Å; N145-D147 PolarHBondContact OD1-OD2 3.37Å; N145-C148 PolarHBondContact O-N 3.29Å; N145-C148 PolarHBondContact O-SG 3.04Å
146	P	50.2	Low	44.7	Very low	94 Å²	94	131.2 Å²	131.2	61%	0.61	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-58.3	-24.2	175	-21.3	32.9	0	0	0	112.5	G144 C148 Y149	G144-P146 WeakPolarHBondContact O-CD 3.42Å; P146-C148 VanDerWaalsContact C-N 3.32Å; P146-C148 PolarHBondContact O-N 3.22Å; P146-Y149 PolarHBondContact O-N 2.87Å
147	D	52	Low	44.2	Very low	112 Å²	112	131.4 Å²	131.4	60%	0.599	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-74.3	-17.1	-175.9	-61.2	-28.3	0	0	0	114	N145 Y149	N145-D147 PolarHBondContact O-N 3.5Å; N145-D147 VanDerWaalsContact O-N 3.1Å; N145-D147 PolarHBondContact OD1-N 3.47Å; N145-D147 PolarHBondContact OD1-OD2 3.37Å; D147-Y149 PolarHBondContact O-N 2.56Å
148	C	42.2	Very low	43.7	Very low	78 Å²	78	132.2 Å²	132.2	53%	0.527	68%	0.678	S	S	.	*	G	3₁₀ helix	trans	-78.1	-3.9	170.7	49.8	0	0	0	0	114	F142 N145 P146	F142-C148 PolarHBondContact O-SG 2.93Å; N145-C148 PolarHBondContact O-N 3.29Å; N145-C148 PolarHBondContact O-SG 3.04Å; P146-C148 VanDerWaalsContact C-N 3.32Å; P146-C148 PolarHBondContact O-N 3.22Å
149	Y	42	Very low	43.7	Very low	193 Å²	193	134.7 Å²	134.7	76%	0.757	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-102.4	-0.4	175.8	-86.4	-83.1	0	0	0	114.6	P146 D147 G151	P146-Y149 PolarHBondContact O-N 2.87Å; D147-Y149 PolarHBondContact O-N 2.56Å; Y149-G151 PolarHBondContact O-N 3.32Å; Y149-G151 VanDerWaalsContact O-N 3.16Å
150	N	40.7	Very low	43.4	Very low	134 Å²	134	133.4 Å²	133.4	72%	0.717	70%	0.697	S	S	*	*			trans	-90	74.1	175	-73.2	-38.8	0	0	0	110.5
151	G	44.4	Very low	43.6	Very low	63 Å²	63	127.8 Å²	127.8	65%	0.649	69%	0.685	S	S	*	*			trans	-69.6	144.7	170.8	0	0	0	0	0	111.9	Y149	Y149-G151 PolarHBondContact O-N 3.32Å; Y149-G151 VanDerWaalsContact O-N 3.16Å
152	P	39.6	Very low	43.5	Very low	132 Å²	132	125.4 Å²	125.4	86%	0.857	67%	0.67	S	S	*	*			trans	-67.7	150	178.1	29	-33	0	0	0	111.8
153	D	40.8	Very low	43.7	Very low	144 Å²	144	129.3 Å²	129.3	77%	0.77	68%	0.682	S	S	*	*			trans	-29	134.4	-175.8	-151.9	-7.7	0	0	0	118	T155	D153-T155 PolarHBondContact O-N 2.91Å
154	K	37.1	Very low	43.8	Very low	205 Å²	205	126.2 Å²	126.2	89%	0.891	68%	0.679	S	S	*	*			trans	-76.2	86.8	-179.6	-67.9	-176.5	-179.1	175.6	0	110.4
155	T	36.3	Very low	43.6	Very low	114 Å²	114	127.3 Å²	127.3	70%	0.699	67%	0.672	S	S	*	*			trans	-135.9	110.5	160.5	50.8	0	0	0	0	111.3	D153	D153-T155 PolarHBondContact O-N 2.91Å
156	K	34.1	Very low	43.5	Very low	193 Å²	193	135 Å²	135	84%	0.839	70%	0.703	S	S	*	*			trans	60.6	97.8	157	-59.1	176.6	179.7	174.8	0	117.6
157	D	40.7	Very low	43.1	Very low	159 Å²	159	137.1 Å²	137.1	85%	0.85	71%	0.708	S	S	*	*				-172.2	134.8	125.5	-90.9	-25.9	0	0	0	110.2
158	P	38.8	Very low	42.7	Very low	111 Å²	111	138.4 Å²	138.4	72%	0.721	71%	0.714	S	S	*	*			trans	-79.7	149.7	169.8	35	-30	0	0	0	109.2
159	E	43.4	Very low	42.7	Very low	174 Å²	174	141.8 Å²	141.8	81%	0.813	72%	0.724	S	S	*	*			trans	71.3	82.2	168.6	-58.1	-175.8	141.8	0	0	117.3
160	N	45.2	Very low	42.7	Very low	149 Å²	149	138.8 Å²	138.8	80%	0.797	72%	0.722	S	S	*	*			trans	-146.3	64.4	146.7	-107.9	-23	0	0	0	111.2	E162	N160-E162 PolarHBondContact O-N 2.93Å
161	T	52.8	Low	42.9	Very low	84 Å²	84	139.1 Å²	139.1	52%	0.515	72%	0.722	S	S	.	*			trans	-90.4	52.2	173.1	-41.1	0	0	0	0	109.7	W163 D164	T161-W163 VanDerWaalsContact C-N 3.33Å; T161-D164 HydrophobicContact CG2-CB 3.8Å; T161-D164 WeakPolarHBondContact CG2-OD2 3.34Å
162	E	47.1	Very low	42.8	Very low	67 Å²	67	144.1 Å²	144.1	31%	0.313	73%	0.727	S	S	.	*			trans	-81.2	-10.7	-171.8	-172.1	157.6	-154.7	0	0	113.7	M1 K30 N160	M1-E162 PolarHBondContact N-OE1 3.23Å; M1-E162 VanDerWaalsContact N-OE1 3.1Å; K30-E162 IonicContact NZ-OE1 3Å; K30-E162 IonicContact NZ-OE2 3.29Å; N160-E162 PolarHBondContact O-N 2.93Å
163	W	49.2	Very low	43	Very low	196 Å²	196	145 Å²	145	74%	0.742	72%	0.718	S	S	*	*	S	Bend	trans	-112.5	-2.7	-174.6	-65.3	104.8	0	0	0	115.9	T161 D165 F166	T161-W163 VanDerWaalsContact C-N 3.33Å; W163-D165 VanDerWaalsContact C-N 3.25Å; W163-D165 PolarHBondContact O-N 3.36Å; W163-F166 HydrophobicContact CE3-CD2 4.28Å; W163-F166 AromaticContact CE3-CE2 3.86Å; W163-F166 HydrophobicContact CE3-CE2 3.86Å; W163-F166 AromaticContact CZ3-CE2 3.89Å; W163-F166 HydrophobicContact CZ3-CE2 3.89Å
164	D	47.2	Very low	43.1	Very low	126 Å²	126	145.1 Å²	145.1	67%	0.674	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	13.2	-175.7	-70.8	-10.8	0	0	0	114.7	T161	T161-D164 HydrophobicContact CG2-CB 3.8Å; T161-D164 WeakPolarHBondContact CG2-OD2 3.34Å
165	D	46.7	Very low	43.7	Very low	78 Å²	78	140.1 Å²	140.1	42%	0.417	70%	0.699	S	S	.	*	T	Hydrogen-bonded Turn	trans	-117.3	26.4	-175.3	-78.8	-16.5	0	0	0	114.8	K3 W163	K3-D165 WeakPolarHBondContact CD-OD2 3.5Å; K3-D165 VanDerWaalsContact CE-CG 3.47Å; K3-D165 VanDerWaalsContact CE-OD1 3.27Å; K3-D165 WeakPolarHBondContact CE-OD1 3.37Å; K3-D165 WeakPolarHBondContact CE-OD2 3.39Å; K3-D165 VanDerWaalsContact CG-OD2 3.23Å; K3-D165 WeakPolarHBondContact CG-OD2 3.5Å; K3-D165 IonicContact NZ-OD1 2.77Å; K3-D165 PolarHBondContact NZ-OD1 2.77Å; K3-D165 IonicContact NZ-OD2 3.26Å; K3-D165 PolarHBondContact NZ-OD2 3.22Å; W163-D165 VanDerWaalsContact C-N 3.25Å; W163-D165 PolarHBondContact O-N 3.36Å
166	F	42.3	Very low	44.3	Very low	230 Å²	230	142.5 Å²	142.5	100%	1.009	70%	0.699	S	S	*	*			trans	-101.4	0	171.6	-80.7	-80	0	0	0	112.8	W163	W163-F166 HydrophobicContact CE3-CD2 4.28Å; W163-F166 AromaticContact CE3-CE2 3.86Å; W163-F166 HydrophobicContact CE3-CE2 3.86Å; W163-F166 AromaticContact CZ3-CE2 3.89Å; W163-F166 HydrophobicContact CZ3-CE2 3.89Å

Retrieved 166 of 166 residues in 884.6 ms (Link to these results)

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