A0A3Q0KGL8_SCHMA Loading...

5'-nucleotidase

AlphaFold DB , UniProt , Accession A0A3Q0KGL8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 133 aa.

						>A0A3Q0KGL8_SCHMA|A0A3Q0KGL8
MQVVCDFDHTLSKCIHNSEKVPVCHELFMKNPRIPEISRLRLKELHDFYVPLETSCDIYECEKLSLMMEFWKLAHKALVDGNVSRNDIDGCVLEGGIVLRLVQTLNMVLSIFHAMERKCVLVRVGFNTTYAKA
					

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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	43.8	Very low	67	Low	175 Å²	175	67.3 Å²	67.3	86%	0.862	36%	0.357	S	S	*	.				0	119.2	0	-176.5	171.7	168.4	0	0	108.3	R117	M1-R117 PolarHBondContact SD-NH1 3.14Å
2	Q	54.5	Low	68	Low	115 Å²	115	61.7 Å²	61.7	54%	0.537	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-89.8	135.5	174.7	-177.7	173.4	-26.7	0	0	108	V120	Q2-V120 HydrophobicContact CG-CB 4.21Å; Q2-V120 HydrophobicContact CG-CG2 4.02Å; Q2-V120 VanDerWaalsContact NE2-CB 3.3Å
3	V	57.2	Low	69	Low	36 Å²	36	61.8 Å²	61.8	22%	0.218	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-99.2	121	172.7	-176.5	0	0	0	0	107.7	F112	V3-F112 HydrophobicContact CB-CD1 4.3Å; V3-F112 HydrophobicContact CB-CE1 3.48Å; V3-F112 VanDerWaalsContact CB-CE1 3.48Å; V3-F112 HydrophobicContact CB-CZ 3.99Å; V3-F112 HydrophobicContact CG1-CE1 3.51Å; V3-F112 HydrophobicContact CG1-CZ 3.7Å; V3-F112 HydrophobicContact CG2-CD1 4.26Å; V3-F112 HydrophobicContact CG2-CE1 3.72Å
4	V	62.4	Low	69.9	Low	94 Å²	94	60.9 Å²	60.9	57%	0.57	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-101.6	124.4	170.1	-178.3	0	0	0	0	106.1	V122	V4-V122 HydrophobicContact CB-CG2 4.47Å; V4-V122 HydrophobicContact CG1-CB 4.14Å; V4-V122 HydrophobicContact CG1-CG2 3.85Å; V4-V122 HydrophobicContact CG2-CG2 3.94Å
5	C	65.8	Low	70.9	Confident	30 Å²	30	64.5 Å²	64.5	20%	0.203	34%	0.342	C	S	.	.			trans	-116.3	144.7	176.8	53	0	0	0	0	108.9
6	D	72.1	Confident	71.7	Confident	90 Å²	90	64.7 Å²	64.7	48%	0.481	34%	0.34	S	S	.	.			trans	-68.2	140.8	169.3	179.2	41.6	0	0	0	110.2	T10	D6-T10 HydrophobicContact CB-CG2 4.4Å; D6-T10 WeakPolarHBondContact O-CG2 3.27Å; D6-T10 VanDerWaalsContact OD2-CB 3.28Å; D6-T10 WeakPolarHBondContact OD2-CB 3.37Å; D6-T10 PolarHBondContact OD2-OG1 3.17Å
7	F	72.7	Confident	72.5	Confident	37 Å²	37	68.5 Å²	68.5	16%	0.162	36%	0.361	C	S	.	.			trans	-110.7	-55.3	-172.5	177.6	-93.4	0	0	0	112.2	H9 T10 L11 S12 C24 I97 L99 L121 V124	F7-H9 PolarHBondContact O-N 3.28Å; F7-T10 PolarHBondContact O-N 2.81Å; F7-L11 HydrophobicContact CD2-CB 3.83Å; F7-L11 HydrophobicContact CD2-CD1 3.95Å; F7-L11 HydrophobicContact CD2-CG 4.5Å; F7-L11 HydrophobicContact CE2-CB 4.26Å; F7-L11 HydrophobicContact CG-CB 4.47Å; F7-L11 PolarHBondContact O-N 3.29Å; F7-S12 PolarHBondContact O-N 3.08Å; F7-S12 PolarHBondContact O-OG 3.08Å; F7-C24 VanDerWaalsContact CD1-SG 3.58Å; F7-I97 HydrophobicContact CE1-CG2 4.18Å; F7-I97 HydrophobicContact CZ-CG2 4.03Å; F7-L99 HydrophobicContact CE2-CD2 3.63Å; F7-L99 HydrophobicContact CZ-CD2 3.66Å; F7-L121 HydrophobicContact CD2-CD2 4.07Å; F7-V124 HydrophobicContact CB-CG2 4.38Å
8	D	77.6	Confident	73.2	Confident	24 Å²	24	71.5 Å²	71.5	13%	0.128	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	124.1	-173.2	-79.5	-37.3	0	0	0	109.6	T10 V23 C24	D8-T10 PolarHBondContact O-N 3.19Å; D8-V23 HydrophobicContact CB-CB 4.22Å; D8-V23 HydrophobicContact CB-CG1 4.08Å; D8-V23 WeakPolarHBondContact OD1-CA 3.39Å; D8-C24 VanDerWaalsContact CG-N 3.33Å; D8-C24 PolarHBondContact OD1-N 2.89Å; D8-C24 PolarHBondContact OD1-SG 2.99Å; D8-C24 WeakPolarHBondContact OD2-CB 3.36Å; D8-C24 PolarHBondContact OD2-N 3.37Å
9	H	80.7	Confident	73.9	Confident	45 Å²	45	75.6 Å²	75.6	21%	0.208	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	-4.6	-179.8	-63	172.9	0	0	0	115.1	F7 S12 C14 V21 R100	F7-H9 PolarHBondContact O-N 3.28Å; H9-S12 CarbonylContact C-O 3.56Å; H9-S12 WeakPolarHBondContact CA-O 3.42Å; H9-S12 PolarHBondContact N-OG 2.89Å; H9-C14 VanDerWaalsContact CB-SG 3.54Å; H9-C14 PolarHBondContact O-SG 3.2Å; H9-V21 PolarHBondContact NE2-O 3.35Å; H9-R100 PolarHBondContact O-NE 3.47Å; H9-R100 PolarHBondContact O-NH2 2.79Å
10	T	74.8	Confident	74.4	Confident	71 Å²	71	78.5 Å²	78.5	44%	0.436	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-56.2	171.8	-67.9	0	0	0	0	111.3	D6 F7 D8 R100	D6-T10 HydrophobicContact CB-CG2 4.4Å; D6-T10 WeakPolarHBondContact O-CG2 3.27Å; D6-T10 VanDerWaalsContact OD2-CB 3.28Å; D6-T10 WeakPolarHBondContact OD2-CB 3.37Å; D6-T10 PolarHBondContact OD2-OG1 3.17Å; F7-T10 PolarHBondContact O-N 2.81Å; D8-T10 PolarHBondContact O-N 3.19Å; T10-R100 WeakPolarHBondContact O-CD 3.43Å; T10-R100 PolarHBondContact O-NE 3.38Å
11	L	75.6	Confident	74.9	Confident	23 Å²	23	75 Å²	75	12%	0.12	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-32.8	171.1	-68.1	178.4	0	0	0	111.6	F7 R100 L121	F7-L11 HydrophobicContact CD2-CB 3.83Å; F7-L11 HydrophobicContact CD2-CD1 3.95Å; F7-L11 HydrophobicContact CD2-CG 4.5Å; F7-L11 HydrophobicContact CE2-CB 4.26Å; F7-L11 HydrophobicContact CG-CB 4.47Å; F7-L11 PolarHBondContact O-N 3.29Å; L11-R100 WeakPolarHBondContact O-CB 3.33Å; L11-R100 PolarHBondContact O-N 3.21Å; L11-L121 HydrophobicContact CD1-CD2 3.83Å
12	S	78.7	Confident	76.6	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-83.2	153.5	166.7	66.8	0	0	0	0	111.2	F7 H9 V98 R100	F7-S12 PolarHBondContact O-N 3.08Å; F7-S12 PolarHBondContact O-OG 3.08Å; H9-S12 CarbonylContact C-O 3.56Å; H9-S12 WeakPolarHBondContact CA-O 3.42Å; H9-S12 PolarHBondContact N-OG 2.89Å; S12-V98 CarbonylContact C-O 3.57Å; S12-V98 WeakPolarHBondContact CA-O 3.44Å; S12-R100 PolarHBondContact O-NE 3.3Å; S12-R100 VanDerWaalsContact O-NE 3.17Å
13	K	81.6	Confident	78	Confident	63 Å²	63	63.5 Å²	63.5	27%	0.274	34%	0.343	S	S	.	.			trans	-68.2	149.8	172.7	-69	-176.2	-176	177.1	0	109	V21 V98 R100	K13-V21 HydrophobicContact CB-CG2 4.15Å; K13-V21 WeakPolarHBondContact O-CB 3.37Å; K13-V21 WeakPolarHBondContact O-CG2 3.33Å; K13-V98 HydrophobicContact CD-CB 4.38Å; K13-V98 HydrophobicContact CD-CG1 3.76Å; K13-V98 HydrophobicContact CG-CG1 4.36Å; K13-V98 PolarHBondContact N-O 2.98Å; K13-R100 HydrophobicContact CG-CG 3.95Å
14	C	81.9	Confident	79	Confident	50 Å²	50	62.5 Å²	62.5	34%	0.338	34%	0.337	S	S	.	.	S	Bend	trans	-77.5	-41.1	170.5	-53.8	0	0	0	0	111.4	H9 V21 R100	H9-C14 VanDerWaalsContact CB-SG 3.54Å; H9-C14 PolarHBondContact O-SG 3.2Å; C14-V21 PolarHBondContact O-N 3.19Å; C14-R100 PolarHBondContact SG-NH2 3.28Å
15	I	84.7	Confident	79.8	Confident	115 Å²	115	58.7 Å²	58.7	59%	0.59	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.6	-176.4	-58.7	174.2	0	0	0	108.2	E19	I15-E19 CarbonylContact C-O 3.6Å; I15-E19 VanDerWaalsContact CA-O 3.29Å; I15-E19 WeakPolarHBondContact CA-O 3.39Å
16	H	83.7	Confident	80.6	Confident	67 Å²	67	58.4 Å²	58.4	31%	0.31	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	130.5	172.4	-175.2	55	0	0	0	109.3	S18 E19 V21 V98	H16-S18 PolarHBondContact O-N 3.29Å; H16-E19 PolarHBondContact N-O 3.43Å; H16-E19 PolarHBondContact O-N 2.92Å; H16-V21 HydrophobicContact CB-CG2 3.73Å; H16-V98 HydrophobicContact CB-CB 4.44Å; H16-V98 HydrophobicContact CB-CG2 4.24Å
17	N	85.5	Confident	81.2	Confident	130 Å²	130	54.4 Å²	54.4	70%	0.695	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	41.5	-177.7	-55.7	-20.7	0	0	0	113.5	E19	N17-E19 PolarHBondContact O-N 3.09Å
18	S	84.7	Confident	81.8	Confident	122 Å²	122	52.9 Å²	52.9	85%	0.853	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	3.5	-176.8	-51	0	0	0	0	116	H16	H16-S18 PolarHBondContact O-N 3.29Å
19	E	85.4	Confident	82.3	Confident	149 Å²	149	53 Å²	53	70%	0.696	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	145.6	174.5	-64	-173.4	166.9	0	0	111.4	I15 H16 N17 V21	I15-E19 CarbonylContact C-O 3.6Å; I15-E19 VanDerWaalsContact CA-O 3.29Å; I15-E19 WeakPolarHBondContact CA-O 3.39Å; H16-E19 PolarHBondContact N-O 3.43Å; H16-E19 PolarHBondContact O-N 2.92Å; N17-E19 PolarHBondContact O-N 3.09Å; E19-V21 PolarHBondContact O-N 2.59Å
20	K	85.1	Confident	82.5	Confident	133 Å²	133	57.5 Å²	57.5	58%	0.578	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	124.7	174	-172.9	-171.8	177.7	-161.1	0	108.8	E26	K20-E26 IonicContact NZ-OE1 3.03Å; K20-E26 PolarHBondContact NZ-OE1 3.28Å
21	V	84.3	Confident	83	Confident	5 Å²	5	54.7 Å²	54.7	3%	0.03	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-72	131.1	174.4	178.1	0	0	0	0	108.4	H9 K13 C14 H16 E19	H9-V21 PolarHBondContact NE2-O 3.35Å; K13-V21 HydrophobicContact CB-CG2 4.15Å; K13-V21 WeakPolarHBondContact O-CB 3.37Å; K13-V21 WeakPolarHBondContact O-CG2 3.33Å; C14-V21 PolarHBondContact O-N 3.19Å; H16-V21 HydrophobicContact CB-CG2 3.73Å; E19-V21 PolarHBondContact O-N 2.59Å
22	P	80.5	Confident	83.6	Confident	23 Å²	23	58.8 Å²	58.8	15%	0.149	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-65.3	144.6	-178.7	25.4	-32	0	0	0	111	E26 G95	P22-E26 HydrophobicContact CB-CB 4.01Å; P22-G95 WeakPolarHBondContact CG-O 3.32Å
23	V	83.4	Confident	84	Confident	27 Å²	27	64.4 Å²	64.4	16%	0.164	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-77.1	163	166.4	-60.6	0	0	0	0	110.2	D8 H25 E26 L27	D8-V23 HydrophobicContact CB-CB 4.22Å; D8-V23 HydrophobicContact CB-CG1 4.08Å; D8-V23 WeakPolarHBondContact OD1-CA 3.39Å; V23-H25 VanDerWaalsContact C-N 3.27Å; V23-H25 PolarHBondContact O-N 2.96Å; V23-H25 VanDerWaalsContact O-N 3.17Å; V23-E26 HydrophobicContact CG2-CB 3.92Å; V23-E26 HydrophobicContact CG2-CG 3.62Å; V23-E26 WeakPolarHBondContact O-CB 3.26Å; V23-E26 PolarHBondContact O-N 3.24Å; V23-L27 PolarHBondContact O-N 2.87Å
24	C	78.3	Confident	84.2	Confident	14 Å²	14	61.5 Å²	61.5	10%	0.095	32%	0.319	C	S	.	.	H	α-helix	trans	-53.8	-39.5	-175.5	-75.9	0	0	0	0	113.6	F7 D8 L27 F28	F7-C24 VanDerWaalsContact CD1-SG 3.58Å; D8-C24 VanDerWaalsContact CG-N 3.33Å; D8-C24 PolarHBondContact OD1-N 2.89Å; D8-C24 PolarHBondContact OD1-SG 2.99Å; D8-C24 WeakPolarHBondContact OD2-CB 3.36Å; D8-C24 PolarHBondContact OD2-N 3.37Å; C24-L27 WeakPolarHBondContact O-CB 3.31Å; C24-F28 VanDerWaalsContact O-CD2 3.28Å; C24-F28 WeakPolarHBondContact O-CD2 3.44Å; C24-F28 WeakPolarHBondContact O-CE2 3.46Å
25	H	78.2	Confident	84.6	Confident	15 Å²	15	61.6 Å²	61.6	7%	0.069	32%	0.319	C	S	.	.	H	α-helix	trans	-72.3	-36.2	177.9	-66.6	93	0	0	0	112.6	V23 L27 F28 M29 W71	V23-H25 VanDerWaalsContact C-N 3.27Å; V23-H25 PolarHBondContact O-N 2.96Å; V23-H25 VanDerWaalsContact O-N 3.17Å; H25-L27 PolarHBondContact O-N 3.21Å; H25-F28 PolarHBondContact O-N 2.97Å; H25-M29 WeakPolarHBondContact O-CG 3.49Å; H25-M29 PolarHBondContact O-N 3.47Å; H25-W71 AromaticContact CE1-CD1 3.8Å; H25-W71 AromaticContact NE2-CD1 3.86Å
26	E	83	Confident	85	Confident	23 Å²	23	62.2 Å²	62.2	11%	0.107	32%	0.319	C	S	.	.	H	α-helix	trans	-62.5	-31.2	176.4	-78.3	-173.5	-145.3	0	0	112.5	K20 P22 V23 F28 M29 K30	K20-E26 IonicContact NZ-OE1 3.03Å; K20-E26 PolarHBondContact NZ-OE1 3.28Å; P22-E26 HydrophobicContact CB-CB 4.01Å; V23-E26 HydrophobicContact CG2-CB 3.92Å; V23-E26 HydrophobicContact CG2-CG 3.62Å; V23-E26 WeakPolarHBondContact O-CB 3.26Å; V23-E26 PolarHBondContact O-N 3.24Å; E26-F28 VanDerWaalsContact C-N 3.35Å; E26-F28 PolarHBondContact O-N 2.95Å; E26-M29 VanDerWaalsContact CA-CE 3.45Å; E26-M29 HydrophobicContact CB-CE 4.12Å; E26-M29 HydrophobicContact CG-CE 3.7Å; E26-M29 PolarHBondContact O-N 3.33Å; E26-K30 WeakPolarHBondContact O-CB 3.24Å; E26-K30 WeakPolarHBondContact O-CG 3.38Å; E26-K30 PolarHBondContact O-N 3.08Å; E26-K30 VanDerWaalsContact O-N 3.1Å; E26-K30 IonicContact OE2-NZ 2.76Å; E26-K30 PolarHBondContact OE2-NZ 3.34Å
27	L	85	Confident	85.4	Confident	6 Å²	6	66 Å²	66	3%	0.031	34%	0.34	C	S	.	.	H	α-helix	trans	-53.3	-51.5	176.2	-167.6	73.6	0	0	0	112	V23 C24 H25 N31 C91 V92 G95 I97	V23-L27 PolarHBondContact O-N 2.87Å; C24-L27 WeakPolarHBondContact O-CB 3.31Å; H25-L27 PolarHBondContact O-N 3.21Å; L27-N31 VanDerWaalsContact O-CB 3.28Å; L27-N31 WeakPolarHBondContact O-CB 3.06Å; L27-N31 PolarHBondContact O-N 3.37Å; L27-N31 VanDerWaalsContact O-N 3.14Å; L27-C91 WeakPolarHBondContact CD1-O 3.49Å; L27-C91 HydrophobicContact CD2-CB 4.04Å; L27-C91 HydrophobicContact CG-CB 4.11Å; L27-V92 HydrophobicContact CD2-CB 4.44Å; L27-V92 HydrophobicContact CD2-CG2 3.79Å; L27-G95 VanDerWaalsContact CD1-CA 3.41Å; L27-I97 HydrophobicContact CD1-CD1 4.22Å; L27-I97 HydrophobicContact CD1-CG1 4.31Å; L27-I97 HydrophobicContact CD2-CD1 4.09Å
28	F	85.6	Confident	85.7	Confident	5 Å²	5	60 Å²	60	2%	0.022	31%	0.308	C	S	.	.	H	α-helix	trans	-73	-35.1	-177	-59.2	-60	0	0	0	112	C24 H25 E26 K30 I34 R39 L42 L78 I88 C91 F126	C24-F28 VanDerWaalsContact O-CD2 3.28Å; C24-F28 WeakPolarHBondContact O-CD2 3.44Å; C24-F28 WeakPolarHBondContact O-CE2 3.46Å; H25-F28 PolarHBondContact O-N 2.97Å; E26-F28 VanDerWaalsContact C-N 3.35Å; E26-F28 PolarHBondContact O-N 2.95Å; F28-K30 VanDerWaalsContact C-N 3.3Å; F28-K30 PolarHBondContact O-N 3.25Å; F28-I34 HydrophobicContact CB-CG1 4.2Å; F28-I34 HydrophobicContact CD1-CD1 4.09Å; F28-I34 HydrophobicContact CD1-CG1 4.24Å; F28-I34 WeakPolarHBondContact O-CB 3.39Å; F28-I34 WeakPolarHBondContact O-CG1 3.45Å; F28-R39 WeakPolarHBondContact O-CG 3.27Å; F28-L42 HydrophobicContact CB-CD1 3.75Å; F28-L78 HydrophobicContact CB-CD2 4.38Å; F28-L78 HydrophobicContact CD1-CD1 4.4Å; F28-L78 HydrophobicContact CD2-CD1 4.35Å; F28-L78 HydrophobicContact CE2-CD1 4.46Å; F28-L78 HydrophobicContact CG-CD1 4.33Å; F28-L78 HydrophobicContact CG-CD2 4.5Å; F28-I88 HydrophobicContact CE1-CB 4.3Å; F28-I88 HydrophobicContact CE1-CG1 4.1Å; F28-I88 HydrophobicContact CE1-CG2 3.78Å; F28-I88 HydrophobicContact CZ-CG2 3.94Å; F28-C91 HydrophobicContact CD1-CB 4.26Å; F28-C91 HydrophobicContact CE1-CB 4.21Å; F28-F126 HydrophobicContact CD2-CE2 4.34Å; F28-F126 HydrophobicContact CD2-CZ 4.38Å; F28-F126 AromaticContact CE2-CE2 3.84Å; F28-F126 HydrophobicContact CE2-CE2 3.84Å; F28-F126 HydrophobicContact CE2-CZ 4.18Å
29	M	87.3	Confident	86	Confident	26 Å²	26	57.4 Å²	57.4	13%	0.128	28%	0.28	C	S	.	.	H	α-helix	trans	-66.1	-33.1	178.9	-66.9	-172.8	-63.7	0	0	112.9	H25 E26 R39 L42 K43 H46	H25-M29 WeakPolarHBondContact O-CG 3.49Å; H25-M29 PolarHBondContact O-N 3.47Å; E26-M29 VanDerWaalsContact CA-CE 3.45Å; E26-M29 HydrophobicContact CB-CE 4.12Å; E26-M29 HydrophobicContact CG-CE 3.7Å; E26-M29 PolarHBondContact O-N 3.33Å; M29-R39 WeakPolarHBondContact O-CD 3.36Å; M29-L42 HydrophobicContact CG-CB 3.56Å; M29-L42 HydrophobicContact CG-CD1 4.48Å; M29-L42 VanDerWaalsContact SD-C 3.59Å; M29-L42 HydrophobicContact SD-CB 4.2Å; M29-K43 WeakPolarHBondContact SD-CA 3.4Å; M29-K43 HydrophobicContact SD-CB 4.14Å; M29-H46 HydrophobicContact CE-CB 3.89Å; M29-H46 VanDerWaalsContact CE-CD2 3.47Å; M29-H46 WeakPolarHBondContact CE-CD2 3.24Å; M29-H46 HydrophobicContact SD-CB 3.61Å
30	K	85.7	Confident	86.5	Confident	141 Å²	141	54.7 Å²	54.7	61%	0.613	27%	0.27	S	S	*	.	H	α-helix	trans	-95.7	-20.1	-175.4	-68.9	172.4	176.9	168.1	0	113.5	E26 F28	E26-K30 WeakPolarHBondContact O-CB 3.24Å; E26-K30 WeakPolarHBondContact O-CG 3.38Å; E26-K30 PolarHBondContact O-N 3.08Å; E26-K30 VanDerWaalsContact O-N 3.1Å; E26-K30 IonicContact OE2-NZ 2.76Å; E26-K30 PolarHBondContact OE2-NZ 3.34Å; F28-K30 VanDerWaalsContact C-N 3.3Å; F28-K30 PolarHBondContact O-N 3.25Å
31	N	85.2	Confident	86.9	Confident	11 Å²	11	53.5 Å²	53.5	6%	0.059	26%	0.261	C	S	.	.			trans	-84.2	122.2	-174.4	-168.1	-60.6	0	0	0	112.4	L27 R33 I34 R39 C91 E94	L27-N31 VanDerWaalsContact O-CB 3.28Å; L27-N31 WeakPolarHBondContact O-CB 3.06Å; L27-N31 PolarHBondContact O-N 3.37Å; L27-N31 VanDerWaalsContact O-N 3.14Å; N31-R33 PolarHBondContact O-N 2.86Å; N31-R33 VanDerWaalsContact O-N 3.11Å; N31-R33 WeakPolarHBondContact OD1-CB 3.23Å; N31-R33 WeakPolarHBondContact OD1-CG 3.37Å; N31-R33 PolarHBondContact OD1-N 3.39Å; N31-I34 PolarHBondContact O-N 2.94Å; N31-R39 VanDerWaalsContact O-CD 3.32Å; N31-R39 WeakPolarHBondContact O-CD 3.39Å; N31-C91 HydrophobicContact CB-CB 4.29Å; N31-C91 VanDerWaalsContact CB-SG 3.55Å; N31-C91 WeakPolarHBondContact ND2-CA 3.47Å; N31-E94 PolarHBondContact ND2-OE2 3.28Å
32	P	87.7	Confident	87.2	Confident	109 Å²	109	53.4 Å²	53.4	71%	0.708	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-11.4	-177.4	25.9	-33.2	0	0	0	115.1	I34	P32-I34 PolarHBondContact O-N 2.8Å
33	R	86.7	Confident	87.8	Confident	119 Å²	119	58 Å²	58	45%	0.449	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-26.8	170	-64.2	177.1	-179.9	-76.1	-2.5	112.2	N31 D87 E94	N31-R33 PolarHBondContact O-N 2.86Å; N31-R33 VanDerWaalsContact O-N 3.11Å; N31-R33 WeakPolarHBondContact OD1-CB 3.23Å; N31-R33 WeakPolarHBondContact OD1-CG 3.37Å; N31-R33 PolarHBondContact OD1-N 3.39Å; R33-D87 HydrophobicContact CB-CB 4.5Å; R33-E94 IonicContact CZ-OE1 3.91Å; R33-E94 VanDerWaalsContact NE-CD 3.28Å; R33-E94 IonicContact NE-OE1 2.65Å; R33-E94 PolarHBondContact NE-OE1 2.86Å; R33-E94 IonicContact NE-OE2 3.2Å; R33-E94 PolarHBondContact NE-OE2 3.47Å; R33-E94 IonicContact NH2-OE1 2.87Å; R33-E94 PolarHBondContact NH2-OE1 3.15Å
34	I	87.3	Confident	88.4	Confident	1 Å²	1	62 Å²	62	1%	0.005	30%	0.295	C	S	.	.	S	Bend	trans	-80.4	128.5	175.4	-54	-54.8	0	0	0	108.6	F28 N31 P32 E36 R39 L78 V83	F28-I34 HydrophobicContact CB-CG1 4.2Å; F28-I34 HydrophobicContact CD1-CD1 4.09Å; F28-I34 HydrophobicContact CD1-CG1 4.24Å; F28-I34 WeakPolarHBondContact O-CB 3.39Å; F28-I34 WeakPolarHBondContact O-CG1 3.45Å; N31-I34 PolarHBondContact O-N 2.94Å; P32-I34 PolarHBondContact O-N 2.8Å; I34-E36 PolarHBondContact O-N 3.38Å; I34-R39 HydrophobicContact CB-CG 3.7Å; I34-R39 HydrophobicContact CG2-CG 3.65Å; I34-R39 VanDerWaalsContact O-CD 3.3Å; I34-R39 WeakPolarHBondContact O-CD 3.47Å; I34-R39 PolarHBondContact O-NE 3.41Å; I34-L78 HydrophobicContact CD1-CD2 4.49Å; I34-L78 HydrophobicContact CG2-CD2 4.11Å; I34-V83 HydrophobicContact CD1-CB 4.42Å; I34-V83 HydrophobicContact CD1-CG1 3.53Å; I34-V83 HydrophobicContact CD1-CG2 3.96Å; I34-V83 HydrophobicContact CG2-CG2 4.2Å
35	P	90.4	Very high	89.1	Confident	53 Å²	53	61.6 Å²	61.6	34%	0.344	29%	0.292	S	S	.	.			trans	-51.9	140.8	177.7	-26.7	33.7	0	0	0	111.5	I37 S38 R39 G81 V83	P35-I37 VanDerWaalsContact C-N 3.25Å; P35-I37 PolarHBondContact O-N 3.21Å; P35-S38 WeakPolarHBondContact O-CB 3.21Å; P35-S38 PolarHBondContact O-N 2.85Å; P35-R39 PolarHBondContact O-N 3.25Å; P35-G81 WeakPolarHBondContact CG-O 3.2Å; P35-V83 HydrophobicContact CG-CG2 4.49Å
36	E	93.1	Very high	89.7	Confident	128 Å²	128	62.5 Å²	62.5	60%	0.598	30%	0.296	S	S	*	.	H	α-helix	trans	-55.2	-41.2	-176.1	-177.9	169.6	-153.6	0	0	112.8	I34 S38 R39 L40	I34-E36 PolarHBondContact O-N 3.38Å; E36-S38 VanDerWaalsContact C-N 3.32Å; E36-S38 PolarHBondContact O-N 3.45Å; E36-R39 PolarHBondContact O-N 3.05Å; E36-R39 VanDerWaalsContact O-N 3.15Å; E36-L40 HydrophobicContact CG-CD1 4.02Å; E36-L40 HydrophobicContact CG-CG 4.27Å; E36-L40 WeakPolarHBondContact O-CB 3.5Å; E36-L40 WeakPolarHBondContact O-CG 3.45Å; E36-L40 PolarHBondContact O-N 3Å
37	I	91.8	Very high	90.2	Very high	145 Å²	145	65.9 Å²	65.9	74%	0.744	32%	0.315	S	S	*	.	H	α-helix	trans	-57.4	-45.8	176.7	-62.1	172.4	0	0	0	110.9	P35 R41	P35-I37 VanDerWaalsContact C-N 3.25Å; P35-I37 PolarHBondContact O-N 3.21Å; I37-R41 WeakPolarHBondContact O-CB 3.45Å; I37-R41 PolarHBondContact O-N 3.29Å
38	S	90.7	Very high	90.6	Very high	4 Å²	4	71.5 Å²	71.5	3%	0.028	34%	0.34	C	S	.	.	H	α-helix	trans	-67.3	-39.3	177.2	-61.9	0	0	0	0	111.9	P35 E36 R41 L42 A77 G81	P35-S38 WeakPolarHBondContact O-CB 3.21Å; P35-S38 PolarHBondContact O-N 2.85Å; E36-S38 VanDerWaalsContact C-N 3.32Å; E36-S38 PolarHBondContact O-N 3.45Å; S38-R41 PolarHBondContact O-N 3.34Å; S38-L42 WeakPolarHBondContact O-CB 3.46Å; S38-L42 WeakPolarHBondContact O-CG 3.35Å; S38-L42 PolarHBondContact O-N 3.06Å; S38-A77 WeakPolarHBondContact CB-O 3.4Å; S38-A77 PolarHBondContact OG-O 3.06Å; S38-G81 VanDerWaalsContact OG-CA 3.23Å; S38-G81 WeakPolarHBondContact OG-CA 3.48Å
39	R	92.2	Very high	90.9	Very high	68 Å²	68	71.8 Å²	71.8	26%	0.257	34%	0.341	S	S	.	.	H	α-helix	trans	-63.2	-45.8	176.4	-67.4	-170.8	-69.2	114.3	1.4	112.1	F28 M29 N31 I34 P35 E36 R41 L42 K43	F28-R39 WeakPolarHBondContact O-CG 3.27Å; M29-R39 WeakPolarHBondContact O-CD 3.36Å; N31-R39 VanDerWaalsContact O-CD 3.32Å; N31-R39 WeakPolarHBondContact O-CD 3.39Å; I34-R39 HydrophobicContact CB-CG 3.7Å; I34-R39 HydrophobicContact CG2-CG 3.65Å; I34-R39 VanDerWaalsContact O-CD 3.3Å; I34-R39 WeakPolarHBondContact O-CD 3.47Å; I34-R39 PolarHBondContact O-NE 3.41Å; P35-R39 PolarHBondContact O-N 3.25Å; E36-R39 PolarHBondContact O-N 3.05Å; E36-R39 VanDerWaalsContact O-N 3.15Å; R39-R41 VanDerWaalsContact C-N 3.34Å; R39-L42 PolarHBondContact O-N 2.98Å; R39-K43 WeakPolarHBondContact O-CB 3.45Å; R39-K43 PolarHBondContact O-N 2.87Å
40	L	94.3	Very high	90.9	Very high	92 Å²	92	72.6 Å²	72.6	48%	0.482	35%	0.347	S	S	.	.	H	α-helix	trans	-61.4	-45.5	176.1	-70.4	174.4	0	0	0	110.4	E36 L42 K43 E44	E36-L40 HydrophobicContact CG-CD1 4.02Å; E36-L40 HydrophobicContact CG-CG 4.27Å; E36-L40 WeakPolarHBondContact O-CB 3.5Å; E36-L40 WeakPolarHBondContact O-CG 3.45Å; E36-L40 PolarHBondContact O-N 3Å; L40-L42 PolarHBondContact O-N 3.39Å; L40-K43 WeakPolarHBondContact O-CB 3.37Å; L40-K43 PolarHBondContact O-N 2.98Å; L40-E44 WeakPolarHBondContact O-CG 3.48Å; L40-E44 PolarHBondContact O-N 3.37Å
41	R	93.4	Very high	91.2	Very high	108 Å²	108	69.4 Å²	69.4	41%	0.408	34%	0.341	S	S	.	.	H	α-helix	trans	-62.8	-43.2	178	-175.5	56.1	178.7	164.6	2.5	112.5	I37 S38 R39 K43 E44 L45 A77	I37-R41 WeakPolarHBondContact O-CB 3.45Å; I37-R41 PolarHBondContact O-N 3.29Å; S38-R41 PolarHBondContact O-N 3.34Å; R39-R41 VanDerWaalsContact C-N 3.34Å; R41-K43 VanDerWaalsContact C-N 3.29Å; R41-K43 PolarHBondContact O-N 3.47Å; R41-E44 WeakPolarHBondContact CD-OE2 3.39Å; R41-E44 IonicContact CZ-OE2 2.93Å; R41-E44 IonicContact NH1-OE2 3.42Å; R41-E44 PolarHBondContact NH1-OE2 2.87Å; R41-E44 PolarHBondContact O-N 3.2Å; R41-L45 HydrophobicContact CG-CD1 4.28Å; R41-L45 VanDerWaalsContact O-CG 3.24Å; R41-L45 WeakPolarHBondContact O-CG 3.4Å; R41-L45 PolarHBondContact O-N 3.43Å; R41-A77 HydrophobicContact CB-CB 4.21Å; R41-A77 HydrophobicContact CG-CB 3.79Å
42	L	91.9	Very high	91.5	Very high	3 Å²	3	70.9 Å²	70.9	2%	0.016	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-38.9	175.6	-74.3	169.6	0	0	0	111.7	F28 M29 S38 R39 L40 L45 H46 A74 A77 L78	F28-L42 HydrophobicContact CB-CD1 3.75Å; M29-L42 HydrophobicContact CG-CB 3.56Å; M29-L42 HydrophobicContact CG-CD1 4.48Å; M29-L42 VanDerWaalsContact SD-C 3.59Å; M29-L42 HydrophobicContact SD-CB 4.2Å; S38-L42 WeakPolarHBondContact O-CB 3.46Å; S38-L42 WeakPolarHBondContact O-CG 3.35Å; S38-L42 PolarHBondContact O-N 3.06Å; R39-L42 PolarHBondContact O-N 2.98Å; L40-L42 PolarHBondContact O-N 3.39Å; L42-L45 PolarHBondContact O-N 3.24Å; L42-H46 VanDerWaalsContact O-CB 3.28Å; L42-H46 WeakPolarHBondContact O-CB 3.43Å; L42-H46 PolarHBondContact O-N 2.88Å; L42-A74 HydrophobicContact CD2-CB 3.66Å; L42-A77 HydrophobicContact CD2-CB 4.28Å; L42-A77 HydrophobicContact CG-CB 4.34Å; L42-L78 HydrophobicContact CD1-CD2 3.68Å; L42-L78 HydrophobicContact CD1-CG 4.48Å
43	K	93.1	Very high	91.4	Very high	119 Å²	119	70.3 Å²	70.3	52%	0.517	34%	0.336	S	S	.	.	H	α-helix	trans	-63.6	-47	176.1	-173.5	179.2	178.6	-175.7	0	112	M29 R39 L40 R41 L45 H46 D47	M29-K43 WeakPolarHBondContact SD-CA 3.4Å; M29-K43 HydrophobicContact SD-CB 4.14Å; R39-K43 WeakPolarHBondContact O-CB 3.45Å; R39-K43 PolarHBondContact O-N 2.87Å; L40-K43 WeakPolarHBondContact O-CB 3.37Å; L40-K43 PolarHBondContact O-N 2.98Å; R41-K43 VanDerWaalsContact C-N 3.29Å; R41-K43 PolarHBondContact O-N 3.47Å; K43-L45 VanDerWaalsContact C-N 3.3Å; K43-L45 PolarHBondContact O-N 3.02Å; K43-H46 PolarHBondContact O-N 3.46Å; K43-D47 WeakPolarHBondContact O-CB 3.33Å; K43-D47 PolarHBondContact O-N 2.82Å
44	E	95	Very high	91.3	Very high	111 Å²	111	69.4 Å²	69.4	52%	0.519	34%	0.344	S	S	.	.	H	α-helix	trans	-56.2	-45.7	174.2	-71.7	173.1	178.5	0	0	112	L40 R41 F48	L40-E44 WeakPolarHBondContact O-CG 3.48Å; L40-E44 PolarHBondContact O-N 3.37Å; R41-E44 WeakPolarHBondContact CD-OE2 3.39Å; R41-E44 IonicContact CZ-OE2 2.93Å; R41-E44 IonicContact NH1-OE2 3.42Å; R41-E44 PolarHBondContact NH1-OE2 2.87Å; R41-E44 PolarHBondContact O-N 3.2Å; E44-F48 WeakPolarHBondContact O-CB 3.5Å; E44-F48 PolarHBondContact O-N 2.96Å; E44-F48 VanDerWaalsContact O-N 3.14Å
45	L	94	Very high	91.3	Very high	7 Å²	7	70.7 Å²	70.7	4%	0.037	35%	0.353	C	S	.	.	H	α-helix	trans	-64.9	-45.8	178.4	-67.4	169.8	0	0	0	111.1	R41 L42 K43 D47 F48 Y49 F70 L73	R41-L45 HydrophobicContact CG-CD1 4.28Å; R41-L45 VanDerWaalsContact O-CG 3.24Å; R41-L45 WeakPolarHBondContact O-CG 3.4Å; R41-L45 PolarHBondContact O-N 3.43Å; L42-L45 PolarHBondContact O-N 3.24Å; K43-L45 VanDerWaalsContact C-N 3.3Å; K43-L45 PolarHBondContact O-N 3.02Å; L45-D47 PolarHBondContact O-N 2.6Å; L45-F48 PolarHBondContact O-N 3.22Å; L45-Y49 HydrophobicContact CB-CD2 4.33Å; L45-Y49 HydrophobicContact CD2-CD2 4.27Å; L45-Y49 HydrophobicContact CD2-CE2 3.83Å; L45-Y49 WeakPolarHBondContact O-CB 3.28Å; L45-Y49 VanDerWaalsContact O-CD2 3.24Å; L45-Y49 WeakPolarHBondContact O-CD2 3.41Å; L45-Y49 PolarHBondContact O-N 3.47Å; L45-F70 HydrophobicContact CB-CD2 3.91Å; L45-F70 HydrophobicContact CB-CE2 3.67Å; L45-L73 HydrophobicContact CD1-CB 3.75Å; L45-L73 HydrophobicContact CD2-CB 3.82Å; L45-L73 HydrophobicContact CD2-CD1 3.73Å; L45-L73 HydrophobicContact CD2-CG 4.4Å; L45-L73 HydrophobicContact CG-CB 4.46Å
46	H	90.8	Very high	91.2	Very high	33 Å²	33	74.1 Å²	74.1	15%	0.153	38%	0.377	C	S	.	.	H	α-helix	trans	-59.2	-48.4	178	174.7	-82.6	0	0	0	111.6	M29 L42 K43 F48 Y49 V50	M29-H46 HydrophobicContact CE-CB 3.89Å; M29-H46 VanDerWaalsContact CE-CD2 3.47Å; M29-H46 WeakPolarHBondContact CE-CD2 3.24Å; M29-H46 HydrophobicContact SD-CB 3.61Å; L42-H46 VanDerWaalsContact O-CB 3.28Å; L42-H46 WeakPolarHBondContact O-CB 3.43Å; L42-H46 PolarHBondContact O-N 2.88Å; K43-H46 PolarHBondContact O-N 3.46Å; H46-F48 PolarHBondContact O-N 3.19Å; H46-Y49 PolarHBondContact O-N 3.21Å; H46-V50 VanDerWaalsContact CD2-CG2 3.49Å; H46-V50 WeakPolarHBondContact CD2-CG2 3.47Å; H46-V50 VanDerWaalsContact O-CB 3.26Å; H46-V50 WeakPolarHBondContact O-CB 3.3Å; H46-V50 VanDerWaalsContact O-CG2 3.27Å; H46-V50 WeakPolarHBondContact O-CG2 3.37Å; H46-V50 PolarHBondContact O-N 3.34Å
47	D	92.3	Very high	91.2	Very high	95 Å²	95	75.3 Å²	75.3	51%	0.508	39%	0.387	S	S	.	.	H	α-helix	trans	-65.7	-27.5	-177.8	-66.8	-12.5	0	0	0	112.1	K43 L45 P51	K43-D47 WeakPolarHBondContact O-CB 3.33Å; K43-D47 PolarHBondContact O-N 2.82Å; L45-D47 PolarHBondContact O-N 2.6Å; D47-P51 WeakPolarHBondContact O-CD 3.4Å; D47-P51 WeakPolarHBondContact O-CG 3.33Å
48	F	93.9	Very high	91	Very high	124 Å²	124	69.8 Å²	69.8	54%	0.544	36%	0.359	S	S	.	.	H	α-helix	trans	-81.7	-47.3	174.4	-177.4	-99.5	0	0	0	113.3	E44 L45 H46 L52	E44-F48 WeakPolarHBondContact O-CB 3.5Å; E44-F48 PolarHBondContact O-N 2.96Å; E44-F48 VanDerWaalsContact O-N 3.14Å; L45-F48 PolarHBondContact O-N 3.22Å; H46-F48 PolarHBondContact O-N 3.19Å; F48-L52 HydrophobicContact CD1-CD1 4.11Å; F48-L52 HydrophobicContact CE1-CD1 3.73Å; F48-L52 HydrophobicContact CZ-CD1 4.12Å; F48-L52 WeakPolarHBondContact O-CG 3.44Å
49	Y	92.7	Very high	91	Very high	10 Å²	10	78.1 Å²	78.1	4%	0.039	39%	0.391	C	S	.	.	H	α-helix	trans	-86.6	-31.5	-169.3	-77.2	-74.9	0	0	0	114.4	L45 H46 L52 E53 L66 M67 E69 F70 L73	L45-Y49 HydrophobicContact CB-CD2 4.33Å; L45-Y49 HydrophobicContact CD2-CD2 4.27Å; L45-Y49 HydrophobicContact CD2-CE2 3.83Å; L45-Y49 WeakPolarHBondContact O-CB 3.28Å; L45-Y49 VanDerWaalsContact O-CD2 3.24Å; L45-Y49 WeakPolarHBondContact O-CD2 3.41Å; L45-Y49 PolarHBondContact O-N 3.47Å; H46-Y49 PolarHBondContact O-N 3.21Å; Y49-L52 HydrophobicContact CD1-CD1 4.22Å; Y49-L52 WeakPolarHBondContact O-CB 3.49Å; Y49-L52 PolarHBondContact O-N 3.19Å; Y49-E53 PolarHBondContact O-N 3.38Å; Y49-L66 HydrophobicContact CD1-CB 4.39Å; Y49-L66 HydrophobicContact CE1-CB 4.35Å; Y49-L66 HydrophobicContact CE1-CD2 4.2Å; Y49-L66 WeakPolarHBondContact CE1-O 3.39Å; Y49-M67 HydrophobicContact CD1-CE 4.3Å; Y49-E69 WeakPolarHBondContact OH-CG 3.42Å; Y49-E69 PolarHBondContact OH-OE1 3.08Å; Y49-E69 VanDerWaalsContact OH-OE1 3.08Å; Y49-F70 HydrophobicContact CD1-CB 3.76Å; Y49-F70 HydrophobicContact CD1-CG 4.42Å; Y49-F70 HydrophobicContact CD2-CB 3.7Å; Y49-F70 AromaticContact CD2-CD2 3.54Å; Y49-F70 HydrophobicContact CD2-CD2 3.54Å; Y49-F70 HydrophobicContact CD2-CE2 4.41Å; Y49-F70 AromaticContact CD2-CG 3.77Å; Y49-F70 HydrophobicContact CD2-CG 3.77Å; Y49-F70 HydrophobicContact CE1-CB 4.17Å; Y49-F70 HydrophobicContact CE2-CB 4.15Å; Y49-F70 HydrophobicContact CE2-CD2 4.31Å; Y49-F70 HydrophobicContact CG-CB 3.51Å; Y49-F70 HydrophobicContact CG-CD1 4.39Å; Y49-F70 AromaticContact CG-CD2 3.94Å; Y49-F70 HydrophobicContact CG-CD2 3.94Å; Y49-F70 AromaticContact CG-CG 3.69Å; Y49-F70 HydrophobicContact CG-CG 3.69Å; Y49-L73 HydrophobicContact CE2-CD1 4.09Å
50	V	87.4	Confident	90.6	Very high	43 Å²	43	83.1 Å²	83.1	26%	0.261	42%	0.418	S	S	.	.	H	α-helix	trans	-63.7	-39.9	-178.3	170.7	0	0	0	0	113.2	H46 L52 E53 T54	H46-V50 VanDerWaalsContact CD2-CG2 3.49Å; H46-V50 WeakPolarHBondContact CD2-CG2 3.47Å; H46-V50 VanDerWaalsContact O-CB 3.26Å; H46-V50 WeakPolarHBondContact O-CB 3.3Å; H46-V50 VanDerWaalsContact O-CG2 3.27Å; H46-V50 WeakPolarHBondContact O-CG2 3.37Å; H46-V50 PolarHBondContact O-N 3.34Å; V50-L52 PolarHBondContact O-N 3.28Å; V50-E53 WeakPolarHBondContact O-CB 3.32Å; V50-E53 PolarHBondContact O-N 3.3Å; V50-T54 PolarHBondContact O-N 3.39Å; V50-T54 PolarHBondContact O-OG1 2.91Å
51	P	90.7	Very high	90.3	Very high	75 Å²	75	83.2 Å²	83.2	49%	0.487	43%	0.425	S	S	.	.	H	α-helix	trans	-61.3	-33.1	171.4	-25.3	36	0	0	0	113.1	D47 T54 S55	D47-P51 WeakPolarHBondContact O-CD 3.4Å; D47-P51 WeakPolarHBondContact O-CG 3.33Å; P51-T54 PolarHBondContact O-OG1 3.14Å; P51-S55 WeakPolarHBondContact O-CB 3.28Å; P51-S55 PolarHBondContact O-N 3.05Å
52	L	91.1	Very high	90.1	Very high	42 Å²	42	82.9 Å²	82.9	22%	0.22	43%	0.428	C	S	.	.	H	α-helix	trans	-72.9	-36.2	179.1	-57.1	174	0	0	0	111.9	F48 Y49 V50 T54 S55 I58 L66	F48-L52 HydrophobicContact CD1-CD1 4.11Å; F48-L52 HydrophobicContact CE1-CD1 3.73Å; F48-L52 HydrophobicContact CZ-CD1 4.12Å; F48-L52 WeakPolarHBondContact O-CG 3.44Å; Y49-L52 HydrophobicContact CD1-CD1 4.22Å; Y49-L52 WeakPolarHBondContact O-CB 3.49Å; Y49-L52 PolarHBondContact O-N 3.19Å; V50-L52 PolarHBondContact O-N 3.28Å; L52-T54 VanDerWaalsContact C-N 3.26Å; L52-T54 PolarHBondContact O-N 3.38Å; L52-S55 PolarHBondContact O-N 3.42Å; L52-I58 HydrophobicContact CB-CD1 4Å; L52-I58 HydrophobicContact CD2-CD1 3.64Å; L52-I58 HydrophobicContact CG-CD1 4.42Å; L52-L66 HydrophobicContact CB-CD1 4.3Å; L52-L66 HydrophobicContact CD1-CD1 4.24Å; L52-L66 HydrophobicContact CD1-CD2 4.43Å
53	E	85.7	Confident	89.9	Confident	96 Å²	96	85 Å²	85	45%	0.449	44%	0.437	S	S	.	.	H	α-helix	trans	-56.4	-43.6	175.1	-172.7	176	-170	0	0	111.4	Y49 V50 K63 M67	Y49-E53 PolarHBondContact O-N 3.38Å; V50-E53 WeakPolarHBondContact O-CB 3.32Å; V50-E53 PolarHBondContact O-N 3.3Å; E53-K63 PolarHBondContact O-NZ 2.87Å; E53-K63 VanDerWaalsContact O-NZ 3.07Å; E53-M67 HydrophobicContact CB-CE 3.85Å; E53-M67 HydrophobicContact CB-SD 3.75Å; E53-M67 HydrophobicContact CG-CE 4.47Å; E53-M67 HydrophobicContact CG-SD 3.75Å
54	T	85.2	Confident	89.6	Confident	101 Å²	101	84.3 Å²	84.3	62%	0.62	44%	0.439	S	S	*	.	H	α-helix	trans	-92.6	-7.4	-175.5	54.7	0	0	0	0	114.4	V50 P51 L52 C56	V50-T54 PolarHBondContact O-N 3.39Å; V50-T54 PolarHBondContact O-OG1 2.91Å; P51-T54 PolarHBondContact O-OG1 3.14Å; L52-T54 VanDerWaalsContact C-N 3.26Å; L52-T54 PolarHBondContact O-N 3.38Å; T54-C56 PolarHBondContact O-N 2.87Å
55	S	87	Confident	89.4	Confident	27 Å²	27	82.3 Å²	82.3	19%	0.189	44%	0.437	C	S	.	.			trans	-61.7	131.1	-178.4	177.6	0	0	0	0	112.6	P51 L52 D57 K63	P51-S55 WeakPolarHBondContact O-CB 3.28Å; P51-S55 PolarHBondContact O-N 3.05Å; L52-S55 PolarHBondContact O-N 3.42Å; S55-D57 VanDerWaalsContact C-N 3.26Å; S55-D57 PolarHBondContact OG-N 3.26Å; S55-K63 WeakPolarHBondContact O-CE 3.15Å; S55-K63 PolarHBondContact O-NZ 2.91Å
56	C	89.6	Confident	89.3	Confident	125 Å²	125	83.5 Å²	83.5	85%	0.845	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-11.4	173.9	-65.9	0	0	0	0	113.1	T54	T54-C56 PolarHBondContact O-N 2.87Å
57	D	91.8	Very high	89.2	Confident	153 Å²	153	82.6 Å²	82.6	82%	0.818	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-6.1	-172.5	-57.2	-43.6	0	0	0	113.1	S55	S55-D57 VanDerWaalsContact C-N 3.26Å; S55-D57 PolarHBondContact OG-N 3.26Å
58	I	89	Confident	89	Confident	29 Å²	29	83.3 Å²	83.3	15%	0.149	44%	0.44	C	S	.	.	S	Bend	trans	-107.2	130.8	-176.9	-54.5	176	0	0	0	109.5	L52 E62 K63 L66	L52-I58 HydrophobicContact CB-CD1 4Å; L52-I58 HydrophobicContact CD2-CD1 3.64Å; L52-I58 HydrophobicContact CG-CD1 4.42Å; I58-E62 HydrophobicContact CG2-CB 3.77Å; I58-E62 HydrophobicContact CG2-CG 3.73Å; I58-K63 HydrophobicContact CB-CG 3.92Å; I58-K63 HydrophobicContact CG2-CG 3.64Å; I58-K63 VanDerWaalsContact O-CE 3.26Å; I58-K63 WeakPolarHBondContact O-CE 3.41Å; I58-L66 HydrophobicContact CD1-CD1 4.3Å; I58-L66 HydrophobicContact CG2-CD1 4.33Å
59	Y	89.2	Confident	88.9	Confident	179 Å²	179	82 Å²	82	70%	0.702	44%	0.436	S	S	*	.			trans	-64.6	148.3	176.5	-67.4	-73.1	0	0	0	112	C61 E62 K63	Y59-C61 VanDerWaalsContact C-N 3.27Å; Y59-C61 PolarHBondContact O-N 3.17Å; Y59-E62 PolarHBondContact O-N 3.45Å; Y59-K63 PolarHBondContact O-N 3Å
60	E	85.4	Confident	88.8	Confident	174 Å²	174	81.8 Å²	81.8	81%	0.813	44%	0.435	S	S	*	.	H	α-helix	trans	-55.4	-38.3	-177.2	-66.5	-178.7	175.9	0	0	113.7	K63 L64	E60-K63 PolarHBondContact O-N 3.06Å; E60-L64 WeakPolarHBondContact O-CB 3.32Å; E60-L64 PolarHBondContact O-N 2.93Å
61	C	86.4	Confident	88.7	Confident	93 Å²	93	83.6 Å²	83.6	63%	0.628	44%	0.437	S	S	*	.	H	α-helix	trans	-67.2	-35.6	178.7	58.7	0	0	0	0	113	Y59 S65	Y59-C61 VanDerWaalsContact C-N 3.27Å; Y59-C61 PolarHBondContact O-N 3.17Å; C61-S65 PolarHBondContact O-N 3.47Å; C61-S65 PolarHBondContact O-OG 3.34Å; C61-S65 VanDerWaalsContact O-OG 3.06Å
62	E	89	Confident	88.6	Confident	102 Å²	102	87.7 Å²	87.7	48%	0.477	45%	0.448	S	S	.	.	H	α-helix	trans	-74.2	-43.4	177	-176.8	175	-171.2	0	0	110.3	I58 Y59 L64 S65 L66	I58-E62 HydrophobicContact CG2-CB 3.77Å; I58-E62 HydrophobicContact CG2-CG 3.73Å; Y59-E62 PolarHBondContact O-N 3.45Å; E62-L64 VanDerWaalsContact C-N 3.29Å; E62-L64 PolarHBondContact O-N 3.18Å; E62-S65 WeakPolarHBondContact O-CB 3.39Å; E62-S65 PolarHBondContact O-N 3.04Å; E62-S65 VanDerWaalsContact O-N 3.08Å; E62-L66 HydrophobicContact CG-CD1 4.24Å; E62-L66 WeakPolarHBondContact O-CG 3.33Å; E62-L66 PolarHBondContact O-N 3.34Å
63	K	88	Confident	88.6	Confident	48 Å²	48	88 Å²	88	21%	0.209	45%	0.449	C	S	.	.	H	α-helix	trans	-53.6	-46.5	171.2	-71.2	-172.7	176.5	-165.5	0	112	E53 S55 I58 Y59 E60 S65 L66 M67	E53-K63 PolarHBondContact O-NZ 2.87Å; E53-K63 VanDerWaalsContact O-NZ 3.07Å; S55-K63 WeakPolarHBondContact O-CE 3.15Å; S55-K63 PolarHBondContact O-NZ 2.91Å; I58-K63 HydrophobicContact CB-CG 3.92Å; I58-K63 HydrophobicContact CG2-CG 3.64Å; I58-K63 VanDerWaalsContact O-CE 3.26Å; I58-K63 WeakPolarHBondContact O-CE 3.41Å; Y59-K63 PolarHBondContact O-N 3Å; E60-K63 PolarHBondContact O-N 3.06Å; K63-S65 VanDerWaalsContact C-N 3.3Å; K63-S65 PolarHBondContact O-N 2.91Å; K63-L66 PolarHBondContact O-N 3.43Å; K63-M67 WeakPolarHBondContact O-CG 3.19Å; K63-M67 PolarHBondContact O-N 3.43Å
64	L	87.5	Confident	88.7	Confident	104 Å²	104	83.4 Å²	83.4	55%	0.545	43%	0.428	S	S	.	.	H	α-helix	trans	-57.3	-46.2	177.8	177.9	62.6	0	0	0	111.2	E60 E62 L66 M67 M68	E60-L64 WeakPolarHBondContact O-CB 3.32Å; E60-L64 PolarHBondContact O-N 2.93Å; E62-L64 VanDerWaalsContact C-N 3.29Å; E62-L64 PolarHBondContact O-N 3.18Å; L64-L66 VanDerWaalsContact C-N 3.35Å; L64-L66 PolarHBondContact O-N 3.43Å; L64-M67 PolarHBondContact O-N 3.41Å; L64-M68 WeakPolarHBondContact O-CG 3.45Å; L64-M68 PolarHBondContact O-N 2.83Å
65	S	90.7	Very high	88.8	Confident	69 Å²	69	81.5 Å²	81.5	48%	0.483	41%	0.412	S	S	.	.	H	α-helix	trans	-62	-43.1	179.4	-58.5	0	0	0	0	111.8	C61 E62 K63 M68 E69	C61-S65 PolarHBondContact O-N 3.47Å; C61-S65 PolarHBondContact O-OG 3.34Å; C61-S65 VanDerWaalsContact O-OG 3.06Å; E62-S65 WeakPolarHBondContact O-CB 3.39Å; E62-S65 PolarHBondContact O-N 3.04Å; E62-S65 VanDerWaalsContact O-N 3.08Å; K63-S65 VanDerWaalsContact C-N 3.3Å; K63-S65 PolarHBondContact O-N 2.91Å; S65-M68 PolarHBondContact O-N 3.01Å; S65-E69 PolarHBondContact O-N 2.95Å
66	L	91.6	Very high	88.8	Confident	32 Å²	32	86 Å²	86	17%	0.168	43%	0.428	C	S	.	.	H	α-helix	trans	-63.5	-42.2	175.8	-68.7	167.1	0	0	0	112.2	Y49 L52 I58 E62 K63 L64 E69 F70	Y49-L66 HydrophobicContact CD1-CB 4.39Å; Y49-L66 HydrophobicContact CE1-CB 4.35Å; Y49-L66 HydrophobicContact CE1-CD2 4.2Å; Y49-L66 WeakPolarHBondContact CE1-O 3.39Å; L52-L66 HydrophobicContact CB-CD1 4.3Å; L52-L66 HydrophobicContact CD1-CD1 4.24Å; L52-L66 HydrophobicContact CD1-CD2 4.43Å; I58-L66 HydrophobicContact CD1-CD1 4.3Å; I58-L66 HydrophobicContact CG2-CD1 4.33Å; E62-L66 HydrophobicContact CG-CD1 4.24Å; E62-L66 WeakPolarHBondContact O-CG 3.33Å; E62-L66 PolarHBondContact O-N 3.34Å; K63-L66 PolarHBondContact O-N 3.43Å; L64-L66 VanDerWaalsContact C-N 3.35Å; L64-L66 PolarHBondContact O-N 3.43Å; L66-E69 PolarHBondContact O-N 3.33Å; L66-F70 WeakPolarHBondContact O-CB 3.47Å; L66-F70 PolarHBondContact O-N 3.04Å
67	M	89.3	Confident	88.8	Confident	13 Å²	13	80.3 Å²	80.3	6%	0.064	39%	0.39	C	S	.	.	H	α-helix	trans	-66.6	-39	177.9	-68.7	-54.1	99.3	0	0	112	Y49 E53 K63 L64 E69 F70 W71	Y49-M67 HydrophobicContact CD1-CE 4.3Å; E53-M67 HydrophobicContact CB-CE 3.85Å; E53-M67 HydrophobicContact CB-SD 3.75Å; E53-M67 HydrophobicContact CG-CE 4.47Å; E53-M67 HydrophobicContact CG-SD 3.75Å; K63-M67 WeakPolarHBondContact O-CG 3.19Å; K63-M67 PolarHBondContact O-N 3.43Å; L64-M67 PolarHBondContact O-N 3.41Å; M67-E69 VanDerWaalsContact C-N 3.33Å; M67-E69 PolarHBondContact O-N 2.86Å; M67-F70 PolarHBondContact O-N 2.84Å; M67-F70 HydrophobicContact SD-CD1 4.42Å; M67-W71 HydrophobicContact CB-CH2 4.05Å; M67-W71 HydrophobicContact CB-CZ2 3.92Å; M67-W71 HydrophobicContact CB-CZ3 4.46Å; M67-W71 PolarHBondContact O-N 3.11Å
68	M	88.6	Confident	88.5	Confident	110 Å²	110	73.4 Å²	73.4	54%	0.542	35%	0.353	S	S	.	.	H	α-helix	trans	-62.5	-41.1	173.3	-67.5	-163.6	-33.1	0	0	112	L64 S65 K72	L64-M68 WeakPolarHBondContact O-CG 3.45Å; L64-M68 PolarHBondContact O-N 2.83Å; S65-M68 PolarHBondContact O-N 3.01Å; M68-K72 WeakPolarHBondContact O-CB 3.47Å; M68-K72 PolarHBondContact O-N 2.84Å
69	E	90.9	Very high	88.4	Confident	96 Å²	96	75.9 Å²	75.9	45%	0.449	37%	0.37	S	S	.	.	H	α-helix	trans	-63.1	-47.5	175.3	-173.4	178	166.6	0	0	111.1	Y49 S65 L66 M67 W71 K72 L73	Y49-E69 WeakPolarHBondContact OH-CG 3.42Å; Y49-E69 PolarHBondContact OH-OE1 3.08Å; Y49-E69 VanDerWaalsContact OH-OE1 3.08Å; S65-E69 PolarHBondContact O-N 2.95Å; L66-E69 PolarHBondContact O-N 3.33Å; M67-E69 VanDerWaalsContact C-N 3.33Å; M67-E69 PolarHBondContact O-N 2.86Å; E69-W71 PolarHBondContact O-N 3.49Å; E69-K72 PolarHBondContact O-N 3.39Å; E69-L73 HydrophobicContact CG-CD1 3.87Å; E69-L73 HydrophobicContact CG-CG 4.3Å; E69-L73 WeakPolarHBondContact O-CG 3.27Å; E69-L73 PolarHBondContact O-N 2.93Å
70	F	89.9	Confident	88.5	Confident	6 Å²	6	72.5 Å²	72.5	3%	0.026	36%	0.364	C	S	.	.	H	α-helix	trans	-53.5	-53.7	176.9	176.1	-147.3	0	0	0	111.6	L45 Y49 L66 M67 K72 L73 A74	L45-F70 HydrophobicContact CB-CD2 3.91Å; L45-F70 HydrophobicContact CB-CE2 3.67Å; Y49-F70 HydrophobicContact CD1-CB 3.76Å; Y49-F70 HydrophobicContact CD1-CG 4.42Å; Y49-F70 HydrophobicContact CD2-CB 3.7Å; Y49-F70 AromaticContact CD2-CD2 3.54Å; Y49-F70 HydrophobicContact CD2-CD2 3.54Å; Y49-F70 HydrophobicContact CD2-CE2 4.41Å; Y49-F70 AromaticContact CD2-CG 3.77Å; Y49-F70 HydrophobicContact CD2-CG 3.77Å; Y49-F70 HydrophobicContact CE1-CB 4.17Å; Y49-F70 HydrophobicContact CE2-CB 4.15Å; Y49-F70 HydrophobicContact CE2-CD2 4.31Å; Y49-F70 HydrophobicContact CG-CB 3.51Å; Y49-F70 HydrophobicContact CG-CD1 4.39Å; Y49-F70 AromaticContact CG-CD2 3.94Å; Y49-F70 HydrophobicContact CG-CD2 3.94Å; Y49-F70 AromaticContact CG-CG 3.69Å; Y49-F70 HydrophobicContact CG-CG 3.69Å; L66-F70 WeakPolarHBondContact O-CB 3.47Å; L66-F70 PolarHBondContact O-N 3.04Å; M67-F70 PolarHBondContact O-N 2.84Å; M67-F70 HydrophobicContact SD-CD1 4.42Å; F70-K72 VanDerWaalsContact C-N 3.31Å; F70-K72 PolarHBondContact O-N 2.65Å; F70-L73 PolarHBondContact O-N 2.92Å; F70-A74 HydrophobicContact CE2-CB 4.3Å; F70-A74 WeakPolarHBondContact O-CB 3.26Å; F70-A74 PolarHBondContact O-N 2.88Å
71	W	86.1	Confident	88.6	Confident	81 Å²	81	65 Å²	65	31%	0.307	33%	0.332	S	S	.	.	H	α-helix	trans	-62.2	-38.9	-179.5	-60.6	-28.6	0	0	0	112.3	H25 M67 E69 A74 H75	H25-W71 AromaticContact CE1-CD1 3.8Å; H25-W71 AromaticContact NE2-CD1 3.86Å; M67-W71 HydrophobicContact CB-CH2 4.05Å; M67-W71 HydrophobicContact CB-CZ2 3.92Å; M67-W71 HydrophobicContact CB-CZ3 4.46Å; M67-W71 PolarHBondContact O-N 3.11Å; E69-W71 PolarHBondContact O-N 3.49Å; W71-A74 PolarHBondContact O-N 3.45Å; W71-H75 VanDerWaalsContact O-CB 3.27Å; W71-H75 WeakPolarHBondContact O-CB 2.87Å; W71-H75 PolarHBondContact O-N 3.15Å
72	K	88.2	Confident	88.7	Confident	161 Å²	161	67.4 Å²	67.4	70%	0.7	34%	0.339	S	S	*	.	H	α-helix	trans	-63	-43.4	176	-176.4	-179.2	178.5	-176.7	0	111.6	M68 E69 F70 K76	M68-K72 WeakPolarHBondContact O-CB 3.47Å; M68-K72 PolarHBondContact O-N 2.84Å; E69-K72 PolarHBondContact O-N 3.39Å; F70-K72 VanDerWaalsContact C-N 3.31Å; F70-K72 PolarHBondContact O-N 2.65Å; K72-K76 WeakPolarHBondContact O-CB 3.49Å; K72-K76 PolarHBondContact O-N 3.03Å
73	L	91.2	Very high	88.5	Confident	48 Å²	48	63.6 Å²	63.6	25%	0.251	32%	0.323	S	S	.	.	H	α-helix	trans	-69.8	-40.6	178.1	-70	173.5	0	0	0	111.9	L45 Y49 E69 F70 H75 K76 A77	L45-L73 HydrophobicContact CD1-CB 3.75Å; L45-L73 HydrophobicContact CD2-CB 3.82Å; L45-L73 HydrophobicContact CD2-CD1 3.73Å; L45-L73 HydrophobicContact CD2-CG 4.4Å; L45-L73 HydrophobicContact CG-CB 4.46Å; Y49-L73 HydrophobicContact CE2-CD1 4.09Å; E69-L73 HydrophobicContact CG-CD1 3.87Å; E69-L73 HydrophobicContact CG-CG 4.3Å; E69-L73 WeakPolarHBondContact O-CG 3.27Å; E69-L73 PolarHBondContact O-N 2.93Å; F70-L73 PolarHBondContact O-N 2.92Å; L73-H75 VanDerWaalsContact C-N 3.35Å; L73-K76 PolarHBondContact O-N 3.41Å; L73-A77 WeakPolarHBondContact O-CB 3.49Å; L73-A77 PolarHBondContact O-N 3.47Å
74	A	88.4	Confident	88.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62.9	-43.1	175.2	0	0	0	0	0	111.3	L42 F70 W71 A77 L78	L42-A74 HydrophobicContact CD2-CB 3.66Å; F70-A74 HydrophobicContact CE2-CB 4.3Å; F70-A74 WeakPolarHBondContact O-CB 3.26Å; F70-A74 PolarHBondContact O-N 2.88Å; W71-A74 PolarHBondContact O-N 3.45Å; A74-A77 PolarHBondContact O-N 3.07Å; A74-L78 PolarHBondContact O-N 2.9Å
75	H	86.2	Confident	87.9	Confident	61 Å²	61	66.4 Å²	66.4	28%	0.282	33%	0.332	S	S	.	.	H	α-helix	trans	-58	-49.7	172.7	-174.5	78.3	0	0	0	111.8	W71 L73 A77 L78 V79 F126	W71-H75 VanDerWaalsContact O-CB 3.27Å; W71-H75 WeakPolarHBondContact O-CB 2.87Å; W71-H75 PolarHBondContact O-N 3.15Å; L73-H75 VanDerWaalsContact C-N 3.35Å; H75-A77 VanDerWaalsContact C-N 3.3Å; H75-A77 PolarHBondContact O-N 2.95Å; H75-L78 PolarHBondContact O-N 3.04Å; H75-V79 WeakPolarHBondContact O-CG2 3.26Å; H75-V79 PolarHBondContact O-N 3.31Å; H75-V79 VanDerWaalsContact O-N 3.08Å; H75-F126 HydrophobicContact CB-CD1 4.25Å; H75-F126 HydrophobicContact CB-CE1 4.2Å; H75-F126 AromaticContact ND1-CD1 3.31Å; H75-F126 VanDerWaalsContact ND1-CD1 3.31Å; H75-F126 WeakPolarHBondContact ND1-CD1 3.47Å; H75-F126 AromaticContact ND1-CE1 3.98Å
76	K	87.6	Confident	87.4	Confident	121 Å²	121	69 Å²	69	53%	0.526	34%	0.341	S	S	.	.	H	α-helix	trans	-59.2	-40.6	177.5	-175.8	175.3	177	179.7	0	112.1	K72 L73 L78 V79 D80	K72-K76 WeakPolarHBondContact O-CB 3.49Å; K72-K76 PolarHBondContact O-N 3.03Å; L73-K76 PolarHBondContact O-N 3.41Å; K76-L78 VanDerWaalsContact C-N 3.3Å; K76-L78 PolarHBondContact O-N 2.99Å; K76-V79 PolarHBondContact O-N 2.85Å; K76-D80 VanDerWaalsContact CE-OD2 3.27Å; K76-D80 WeakPolarHBondContact CE-OD2 3.46Å; K76-D80 WeakPolarHBondContact CG-OD2 3.42Å; K76-D80 WeakPolarHBondContact O-CB 3.37Å; K76-D80 VanDerWaalsContact O-CG 3.27Å; K76-D80 PolarHBondContact O-N 3Å
77	A	89.7	Confident	86.8	Confident	7 Å²	7	69.6 Å²	69.6	6%	0.058	34%	0.344	C	S	.	.	H	α-helix	trans	-62.9	-33.7	178.8	0	0	0	0	0	113.5	S38 R41 L42 L73 A74 H75 G81	S38-A77 WeakPolarHBondContact CB-O 3.4Å; S38-A77 PolarHBondContact OG-O 3.06Å; R41-A77 HydrophobicContact CB-CB 4.21Å; R41-A77 HydrophobicContact CG-CB 3.79Å; L42-A77 HydrophobicContact CD2-CB 4.28Å; L42-A77 HydrophobicContact CG-CB 4.34Å; L73-A77 WeakPolarHBondContact O-CB 3.49Å; L73-A77 PolarHBondContact O-N 3.47Å; A74-A77 PolarHBondContact O-N 3.07Å; H75-A77 VanDerWaalsContact C-N 3.3Å; H75-A77 PolarHBondContact O-N 2.95Å; A77-G81 PolarHBondContact O-N 2.99Å
78	L	86.5	Confident	86.3	Confident	8 Å²	8	69.8 Å²	69.8	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-72.8	-41.5	172.7	-67.9	-166.9	0	0	0	111.9	F28 I34 L42 A74 H75 K76 G81 N82 V83 F126	F28-L78 HydrophobicContact CB-CD2 4.38Å; F28-L78 HydrophobicContact CD1-CD1 4.4Å; F28-L78 HydrophobicContact CD2-CD1 4.35Å; F28-L78 HydrophobicContact CE2-CD1 4.46Å; F28-L78 HydrophobicContact CG-CD1 4.33Å; F28-L78 HydrophobicContact CG-CD2 4.5Å; I34-L78 HydrophobicContact CD1-CD2 4.49Å; I34-L78 HydrophobicContact CG2-CD2 4.11Å; L42-L78 HydrophobicContact CD1-CD2 3.68Å; L42-L78 HydrophobicContact CD1-CG 4.48Å; A74-L78 PolarHBondContact O-N 2.9Å; H75-L78 PolarHBondContact O-N 3.04Å; K76-L78 VanDerWaalsContact C-N 3.3Å; K76-L78 PolarHBondContact O-N 2.99Å; L78-G81 PolarHBondContact O-N 3.19Å; L78-N82 PolarHBondContact O-N 3.17Å; L78-V83 HydrophobicContact CB-CB 4.22Å; L78-V83 HydrophobicContact CB-CG2 4.34Å; L78-V83 HydrophobicContact CD2-CB 4.47Å; L78-V83 HydrophobicContact CD2-CG1 4.5Å; L78-V83 HydrophobicContact CD2-CG2 4.02Å; L78-V83 WeakPolarHBondContact O-CB 3.48Å; L78-V83 WeakPolarHBondContact O-CG2 3.28Å; L78-V83 PolarHBondContact O-N 3.45Å; L78-V83 VanDerWaalsContact O-N 3.09Å; L78-F126 HydrophobicContact CB-CE1 4.37Å; L78-F126 HydrophobicContact CD1-CD1 4.03Å; L78-F126 HydrophobicContact CD1-CE1 3.16Å; L78-F126 HydrophobicContact CD1-CE2 4.5Å; L78-F126 HydrophobicContact CD1-CZ 3.46Å; L78-F126 VanDerWaalsContact CD1-CZ 3.46Å; L78-F126 HydrophobicContact CG-CE1 3.84Å; L78-F126 HydrophobicContact CG-CZ 4.17Å
79	V	86.6	Confident	85.8	Confident	81 Å²	81	67.8 Å²	67.8	49%	0.491	34%	0.337	S	S	.	.	H	α-helix	trans	-64.1	-48.4	178.2	173	0	0	0	0	111.1	H75 K76 G81 N82	H75-V79 WeakPolarHBondContact O-CG2 3.26Å; H75-V79 PolarHBondContact O-N 3.31Å; H75-V79 VanDerWaalsContact O-N 3.08Å; K76-V79 PolarHBondContact O-N 2.85Å; V79-G81 PolarHBondContact O-N 3.49Å; V79-N82 PolarHBondContact O-N 3.32Å
80	D	90	Very high	85.2	Confident	108 Å²	108	63.7 Å²	63.7	58%	0.578	32%	0.32	S	S	*	.	H	α-helix	trans	-62.3	-25.7	177.9	-68.4	-9.6	0	0	0	111.5	K76 N82	K76-D80 VanDerWaalsContact CE-OD2 3.27Å; K76-D80 WeakPolarHBondContact CE-OD2 3.46Å; K76-D80 WeakPolarHBondContact CG-OD2 3.42Å; K76-D80 WeakPolarHBondContact O-CB 3.37Å; K76-D80 VanDerWaalsContact O-CG 3.27Å; K76-D80 PolarHBondContact O-N 3Å; D80-N82 VanDerWaalsContact C-N 3.3Å
81	G	88.8	Confident	84.7	Confident	15 Å²	15	63.4 Å²	63.4	16%	0.155	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-1.5	172.5	0	0	0	0	0	115.3	P35 S38 A77 L78 V79 V83	P35-G81 WeakPolarHBondContact CG-O 3.2Å; S38-G81 VanDerWaalsContact OG-CA 3.23Å; S38-G81 WeakPolarHBondContact OG-CA 3.48Å; A77-G81 PolarHBondContact O-N 2.99Å; L78-G81 PolarHBondContact O-N 3.19Å; V79-G81 PolarHBondContact O-N 3.49Å; G81-V83 PolarHBondContact O-N 2.66Å
82	N	88.8	Confident	84.3	Confident	145 Å²	145	62.7 Å²	62.7	78%	0.775	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	34.3	-170.8	-60.7	-57.1	0	0	0	113.6	L78 V79 D80 S84	L78-N82 PolarHBondContact O-N 3.17Å; V79-N82 PolarHBondContact O-N 3.32Å; D80-N82 VanDerWaalsContact C-N 3.3Å; N82-S84 PolarHBondContact O-N 3.07Å
83	V	83.6	Confident	83.8	Confident	22 Å²	22	62.3 Å²	62.3	13%	0.133	33%	0.328	C	S	.	.			trans	-67.7	117.4	179.2	175.4	0	0	0	0	109.4	I34 P35 L78 G81 D87 I88	I34-V83 HydrophobicContact CD1-CB 4.42Å; I34-V83 HydrophobicContact CD1-CG1 3.53Å; I34-V83 HydrophobicContact CD1-CG2 3.96Å; I34-V83 HydrophobicContact CG2-CG2 4.2Å; P35-V83 HydrophobicContact CG-CG2 4.49Å; L78-V83 HydrophobicContact CB-CB 4.22Å; L78-V83 HydrophobicContact CB-CG2 4.34Å; L78-V83 HydrophobicContact CD2-CB 4.47Å; L78-V83 HydrophobicContact CD2-CG1 4.5Å; L78-V83 HydrophobicContact CD2-CG2 4.02Å; L78-V83 WeakPolarHBondContact O-CB 3.48Å; L78-V83 WeakPolarHBondContact O-CG2 3.28Å; L78-V83 PolarHBondContact O-N 3.45Å; L78-V83 VanDerWaalsContact O-N 3.09Å; G81-V83 PolarHBondContact O-N 2.66Å; V83-D87 HydrophobicContact CG1-CB 4.01Å; V83-I88 HydrophobicContact CG1-CD1 4.41Å; V83-I88 HydrophobicContact CG1-CG1 3.85Å
84	S	83.4	Confident	83.3	Confident	47 Å²	47	64.9 Å²	64.9	33%	0.329	34%	0.339	S	S	.	.			trans	-82	165	-178.6	77.7	0	0	0	0	111.8	N82 N86 D87 I88	N82-S84 PolarHBondContact O-N 3.07Å; S84-N86 PolarHBondContact O-N 3.04Å; S84-N86 PolarHBondContact OG-N 3.36Å; S84-D87 VanDerWaalsContact CB-OD2 3.26Å; S84-D87 WeakPolarHBondContact CB-OD2 3.33Å; S84-D87 PolarHBondContact N-OD2 3.22Å; S84-D87 WeakPolarHBondContact O-CB 3.37Å; S84-D87 PolarHBondContact O-N 3.41Å; S84-D87 PolarHBondContact OG-N 3.4Å; S84-D87 PolarHBondContact OG-OD2 2.99Å; S84-I88 WeakPolarHBondContact O-CG1 3.49Å; S84-I88 PolarHBondContact O-N 3Å
85	R	80.3	Confident	82.8	Confident	164 Å²	164	65.9 Å²	65.9	62%	0.619	35%	0.349	S	S	*	.	H	α-helix	trans	-58.9	-37.2	172.2	-175.3	174.6	-179.7	179.6	0.5	112.2	D87 I88 D89	R85-D87 VanDerWaalsContact C-N 3.31Å; R85-D87 PolarHBondContact O-N 3.34Å; R85-I88 PolarHBondContact O-N 3.31Å; R85-D89 PolarHBondContact O-N 3.38Å
86	N	79.2	Confident	82.5	Confident	124 Å²	124	65.2 Å²	65.2	66%	0.663	36%	0.359	S	S	*	.	H	α-helix	trans	-65.4	-36.6	178.7	-66.1	-20.2	0	0	0	111.6	S84 I88 D89 G90	S84-N86 PolarHBondContact O-N 3.04Å; S84-N86 PolarHBondContact OG-N 3.36Å; N86-I88 VanDerWaalsContact C-N 3.32Å; N86-D89 PolarHBondContact O-N 3.14Å; N86-G90 PolarHBondContact O-N 3.17Å
87	D	79.3	Confident	82.1	Confident	43 Å²	43	61.3 Å²	61.3	23%	0.23	34%	0.343	C	S	.	.	H	α-helix	trans	-64.7	-41.6	175.5	-59.1	-48.3	0	0	0	110.6	R33 V83 S84 R85 G90 C91	R33-D87 HydrophobicContact CB-CB 4.5Å; V83-D87 HydrophobicContact CG1-CB 4.01Å; S84-D87 VanDerWaalsContact CB-OD2 3.26Å; S84-D87 WeakPolarHBondContact CB-OD2 3.33Å; S84-D87 PolarHBondContact N-OD2 3.22Å; S84-D87 WeakPolarHBondContact O-CB 3.37Å; S84-D87 PolarHBondContact O-N 3.41Å; S84-D87 PolarHBondContact OG-N 3.4Å; S84-D87 PolarHBondContact OG-OD2 2.99Å; R85-D87 VanDerWaalsContact C-N 3.31Å; R85-D87 PolarHBondContact O-N 3.34Å; D87-G90 PolarHBondContact O-N 3.36Å; D87-C91 PolarHBondContact O-N 3.17Å; D87-C91 PolarHBondContact O-SG 2.97Å
88	I	79.4	Confident	81.7	Confident	18 Å²	18	62.7 Å²	62.7	9%	0.092	35%	0.351	C	S	.	.	H	α-helix	trans	-65.1	-45.1	176.9	-60.6	168.8	0	0	0	111.2	F28 V83 S84 R85 N86 G90 C91 V92 R123	F28-I88 HydrophobicContact CE1-CB 4.3Å; F28-I88 HydrophobicContact CE1-CG1 4.1Å; F28-I88 HydrophobicContact CE1-CG2 3.78Å; F28-I88 HydrophobicContact CZ-CG2 3.94Å; V83-I88 HydrophobicContact CG1-CD1 4.41Å; V83-I88 HydrophobicContact CG1-CG1 3.85Å; S84-I88 WeakPolarHBondContact O-CG1 3.49Å; S84-I88 PolarHBondContact O-N 3Å; R85-I88 PolarHBondContact O-N 3.31Å; N86-I88 VanDerWaalsContact C-N 3.32Å; I88-G90 VanDerWaalsContact C-N 3.29Å; I88-G90 PolarHBondContact O-N 2.93Å; I88-C91 WeakPolarHBondContact O-CB 3.05Å; I88-C91 PolarHBondContact O-N 2.88Å; I88-C91 VanDerWaalsContact O-N 3.15Å; I88-V92 WeakPolarHBondContact O-CG2 3.05Å; I88-V92 PolarHBondContact O-N 3.1Å; I88-R123 VanDerWaalsContact CG2-CZ 3.48Å
89	D	78.7	Confident	81.4	Confident	68 Å²	68	66 Å²	66	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-61.8	-41.6	178.1	-68.4	-16.2	0	0	0	110.3	R85 N86 C91 V92 L93	R85-D89 PolarHBondContact O-N 3.38Å; N86-D89 PolarHBondContact O-N 3.14Å; D89-C91 PolarHBondContact O-N 3.43Å; D89-V92 PolarHBondContact O-N 3.18Å; D89-L93 VanDerWaalsContact O-CG 3.32Å; D89-L93 WeakPolarHBondContact O-CG 3.33Å; D89-L93 PolarHBondContact O-N 3.06Å
90	G	76.8	Confident	80.8	Confident	10 Å²	10	67.4 Å²	67.4	10%	0.103	37%	0.365	C	S	.	.	H	α-helix	trans	-59.8	-43.5	171.6	0	0	0	0	0	112.8	N86 D87 I88 V92 L93 E94	N86-G90 PolarHBondContact O-N 3.17Å; D87-G90 PolarHBondContact O-N 3.36Å; I88-G90 VanDerWaalsContact C-N 3.29Å; I88-G90 PolarHBondContact O-N 2.93Å; G90-V92 VanDerWaalsContact C-N 3.33Å; G90-V92 PolarHBondContact O-N 3.32Å; G90-L93 PolarHBondContact O-N 3.41Å; G90-E94 WeakPolarHBondContact O-CB 3.28Å; G90-E94 WeakPolarHBondContact O-CG 3.29Å; G90-E94 PolarHBondContact O-N 3.47Å
91	C	79.3	Confident	79.5	Confident	0 Å²	0	68 Å²	68	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-59.1	-44.4	176.3	-69.4	0	0	0	0	112	L27 F28 N31 D87 I88 D89 E94 G95	L27-C91 WeakPolarHBondContact CD1-O 3.49Å; L27-C91 HydrophobicContact CD2-CB 4.04Å; L27-C91 HydrophobicContact CG-CB 4.11Å; F28-C91 HydrophobicContact CD1-CB 4.26Å; F28-C91 HydrophobicContact CE1-CB 4.21Å; N31-C91 HydrophobicContact CB-CB 4.29Å; N31-C91 VanDerWaalsContact CB-SG 3.55Å; N31-C91 WeakPolarHBondContact ND2-CA 3.47Å; D87-C91 PolarHBondContact O-N 3.17Å; D87-C91 PolarHBondContact O-SG 2.97Å; I88-C91 WeakPolarHBondContact O-CB 3.05Å; I88-C91 PolarHBondContact O-N 2.88Å; I88-C91 VanDerWaalsContact O-N 3.15Å; D89-C91 PolarHBondContact O-N 3.43Å; C91-E94 PolarHBondContact O-N 2.88Å; C91-G95 PolarHBondContact O-N 3.38Å
92	V	78	Confident	78.2	Confident	66 Å²	66	72 Å²	72	40%	0.4	39%	0.389	S	S	.	.	H	α-helix	trans	-66.3	-41.1	-179.7	174.4	0	0	0	0	111.3	L27 I88 D89 G90	L27-V92 HydrophobicContact CD2-CB 4.44Å; L27-V92 HydrophobicContact CD2-CG2 3.79Å; I88-V92 WeakPolarHBondContact O-CG2 3.05Å; I88-V92 PolarHBondContact O-N 3.1Å; D89-V92 PolarHBondContact O-N 3.18Å; G90-V92 VanDerWaalsContact C-N 3.33Å; G90-V92 PolarHBondContact O-N 3.32Å
93	L	78.5	Confident	76.6	Confident	153 Å²	153	72.4 Å²	72.4	80%	0.801	39%	0.386	S	S	*	.	H	α-helix	trans	-66	-38.4	177.6	-70.4	171.6	0	0	0	112.4	D89 G90	D89-L93 VanDerWaalsContact O-CG 3.32Å; D89-L93 WeakPolarHBondContact O-CG 3.33Å; D89-L93 PolarHBondContact O-N 3.06Å; G90-L93 PolarHBondContact O-N 3.41Å
94	E	81	Confident	75.4	Confident	101 Å²	101	75 Å²	75	47%	0.472	40%	0.401	S	S	.	.	H	α-helix	trans	-88.4	-27.3	-174.5	-71.1	169.1	178.4	0	0	113.9	N31 R33 G90 C91 G96	N31-E94 PolarHBondContact ND2-OE2 3.28Å; R33-E94 IonicContact CZ-OE1 3.91Å; R33-E94 VanDerWaalsContact NE-CD 3.28Å; R33-E94 IonicContact NE-OE1 2.65Å; R33-E94 PolarHBondContact NE-OE1 2.86Å; R33-E94 IonicContact NE-OE2 3.2Å; R33-E94 PolarHBondContact NE-OE2 3.47Å; R33-E94 IonicContact NH2-OE1 2.87Å; R33-E94 PolarHBondContact NH2-OE1 3.15Å; G90-E94 WeakPolarHBondContact O-CB 3.28Å; G90-E94 WeakPolarHBondContact O-CG 3.29Å; G90-E94 PolarHBondContact O-N 3.47Å; C91-E94 PolarHBondContact O-N 2.88Å; E94-G96 VanDerWaalsContact C-N 3.29Å; E94-G96 PolarHBondContact O-N 2.93Å
95	G	76.3	Confident	74.3	Confident	21 Å²	21	74.8 Å²	74.8	22%	0.216	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	20.1	-166.2	0	0	0	0	0	116	P22 L27 C91 I97	P22-G95 WeakPolarHBondContact CG-O 3.32Å; L27-G95 VanDerWaalsContact CD1-CA 3.41Å; C91-G95 PolarHBondContact O-N 3.38Å; G95-I97 VanDerWaalsContact C-N 3.33Å; G95-I97 PolarHBondContact O-N 2.79Å
96	G	80.1	Confident	73.5	Confident	47 Å²	47	71 Å²	71	49%	0.485	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	26.7	161	0	0	0	0	0	115.6	E94 V98	E94-G96 VanDerWaalsContact C-N 3.29Å; E94-G96 PolarHBondContact O-N 2.93Å; G96-V98 PolarHBondContact O-N 3.28Å
97	I	80.2	Confident	72.6	Confident	40 Å²	40	71 Å²	71	21%	0.205	39%	0.386	C	S	.	.			trans	-67.6	121.2	172.7	-62.2	175.5	0	0	0	108.7	F7 L27 G95 L99	F7-I97 HydrophobicContact CE1-CG2 4.18Å; F7-I97 HydrophobicContact CZ-CG2 4.03Å; L27-I97 HydrophobicContact CD1-CD1 4.22Å; L27-I97 HydrophobicContact CD1-CG1 4.31Å; L27-I97 HydrophobicContact CD2-CD1 4.09Å; G95-I97 VanDerWaalsContact C-N 3.33Å; G95-I97 PolarHBondContact O-N 2.79Å; I97-L99 HydrophobicContact CG2-CD2 4.39Å
98	V	81.8	Confident	71.8	Confident	36 Å²	36	70.8 Å²	70.8	22%	0.218	39%	0.386	C	S	.	.			trans	-110.8	117.8	176.4	-175.2	0	0	0	0	109.4	S12 K13 H16 G96	S12-V98 CarbonylContact C-O 3.57Å; S12-V98 WeakPolarHBondContact CA-O 3.44Å; K13-V98 HydrophobicContact CD-CB 4.38Å; K13-V98 HydrophobicContact CD-CG1 3.76Å; K13-V98 HydrophobicContact CG-CG1 4.36Å; K13-V98 PolarHBondContact N-O 2.98Å; H16-V98 HydrophobicContact CB-CB 4.44Å; H16-V98 HydrophobicContact CB-CG2 4.24Å; G96-V98 PolarHBondContact O-N 3.28Å
99	L	78.8	Confident	71.1	Confident	77 Å²	77	73.4 Å²	73.4	40%	0.403	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-71.6	148	175.7	-59.1	-179.6	0	0	0	111.1	F7 I97 L105	F7-L99 HydrophobicContact CE2-CD2 3.63Å; F7-L99 HydrophobicContact CZ-CD2 3.66Å; I97-L99 HydrophobicContact CG2-CD2 4.39Å; L99-L105 HydrophobicContact CD1-CD2 4.02Å
100	R	74.6	Confident	70.3	Confident	111 Å²	111	73.6 Å²	73.6	42%	0.419	41%	0.407	S	S	.	.	S	Bend	trans	-64.7	152.9	165	-62.6	-169.6	-175.6	-157.8	-8.4	109	H9 T10 L11 S12 K13 C14	H9-R100 PolarHBondContact O-NE 3.47Å; H9-R100 PolarHBondContact O-NH2 2.79Å; T10-R100 WeakPolarHBondContact O-CD 3.43Å; T10-R100 PolarHBondContact O-NE 3.38Å; L11-R100 WeakPolarHBondContact O-CB 3.33Å; L11-R100 PolarHBondContact O-N 3.21Å; S12-R100 PolarHBondContact O-NE 3.3Å; S12-R100 VanDerWaalsContact O-NE 3.17Å; K13-R100 HydrophobicContact CG-CG 3.95Å; C14-R100 PolarHBondContact SG-NH2 3.28Å
101	L	63.4	Low	69.5	Low	120 Å²	120	77.5 Å²	77.5	63%	0.628	43%	0.425	S	S	*	.			trans	-31.9	134.8	-169	-68.5	165.8	0	0	0	114.8	Q103 T104 L105	L101-Q103 PolarHBondContact O-N 3.45Å; L101-T104 PolarHBondContact O-N 3.42Å; L101-L105 PolarHBondContact O-N 2.79Å
102	V	59.8	Low	68.6	Low	100 Å²	100	78.7 Å²	78.7	61%	0.606	43%	0.43	S	S	*	.	H	α-helix	trans	-52	-29.4	177.5	175.4	0	0	0	0	112.4	L105 N106	V102-L105 PolarHBondContact O-N 3.21Å; V102-N106 VanDerWaalsContact CG1-ND2 3.29Å; V102-N106 WeakPolarHBondContact CG1-ND2 3.17Å; V102-N106 WeakPolarHBondContact O-CA 3.06Å; V102-N106 WeakPolarHBondContact O-CB 3.28Å; V102-N106 PolarHBondContact O-N 2.83Å; V102-N106 PolarHBondContact O-ND2 3.26Å
103	Q	56.7	Low	67.7	Low	153 Å²	153	83.1 Å²	83.1	72%	0.715	45%	0.446	S	S	*	.	H	α-helix	trans	-65.7	-41.9	175.7	-68.9	178.6	-5.9	0	0	112.8	L101 M107	L101-Q103 PolarHBondContact O-N 3.45Å; Q103-M107 WeakPolarHBondContact O-CB 3.19Å; Q103-M107 PolarHBondContact O-N 2.84Å
104	T	57.6	Low	67	Low	75 Å²	75	79.8 Å²	79.8	46%	0.46	44%	0.44	S	S	.	.	H	α-helix	trans	-69.3	-42.9	176.4	-50.7	0	0	0	0	110.3	L101 M107 V108	L101-T104 PolarHBondContact O-N 3.42Å; T104-M107 PolarHBondContact O-N 2.76Å; T104-V108 HydrophobicContact CG2-CG2 4.46Å; T104-V108 WeakPolarHBondContact O-CB 3.33Å; T104-V108 WeakPolarHBondContact O-CG2 3.22Å; T104-V108 PolarHBondContact O-N 2.96Å
105	L	60.9	Low	66.1	Low	44 Å²	44	79.8 Å²	79.8	23%	0.23	44%	0.441	C	S	.	.	H	α-helix	trans	-64	-47.9	176.6	-175	67.7	0	0	0	111.4	L99 L101 V102 M107 V108 L109	L99-L105 HydrophobicContact CD1-CD2 4.02Å; L101-L105 PolarHBondContact O-N 2.79Å; V102-L105 PolarHBondContact O-N 3.21Å; L105-M107 VanDerWaalsContact C-N 3.32Å; L105-M107 PolarHBondContact O-N 3.25Å; L105-V108 PolarHBondContact O-N 2.6Å; L105-L109 HydrophobicContact CD1-CD1 4.37Å; L105-L109 HydrophobicContact CD1-CG 4.36Å; L105-L109 HydrophobicContact CD2-CD1 4.45Å; L105-L109 HydrophobicContact CG-CD1 3.93Å; L105-L109 HydrophobicContact CG-CG 4.3Å; L105-L109 WeakPolarHBondContact O-CB 3.17Å; L105-L109 WeakPolarHBondContact O-CG 3.22Å; L105-L109 PolarHBondContact O-N 2.96Å
106	N	62.3	Low	65.3	Low	83 Å²	83	87.6 Å²	87.6	44%	0.444	47%	0.472	S	S	.	.	H	α-helix	trans	-62.1	-40.7	175.6	-75.3	-11.2	0	0	0	110.9	V102 L109 S110	V102-N106 VanDerWaalsContact CG1-ND2 3.29Å; V102-N106 WeakPolarHBondContact CG1-ND2 3.17Å; V102-N106 WeakPolarHBondContact O-CA 3.06Å; V102-N106 WeakPolarHBondContact O-CB 3.28Å; V102-N106 PolarHBondContact O-N 2.83Å; V102-N106 PolarHBondContact O-ND2 3.26Å; N106-L109 CarbonylContact O-C 3.12Å; N106-L109 PolarHBondContact O-N 2.78Å; N106-S110 WeakPolarHBondContact O-CA 3.41Å; N106-S110 WeakPolarHBondContact O-CB 3.49Å; N106-S110 PolarHBondContact O-N 2.77Å; N106-S110 PolarHBondContact O-OG 3.28Å
107	M	61.5	Low	64	Low	124 Å²	124	89.3 Å²	89.3	61%	0.611	46%	0.464	S	S	*	.	H	α-helix	trans	-62.1	-45.6	175.3	-177	-179.2	-68.5	0	0	111.1	Q103 T104 L105 S110 I111	Q103-M107 WeakPolarHBondContact O-CB 3.19Å; Q103-M107 PolarHBondContact O-N 2.84Å; T104-M107 PolarHBondContact O-N 2.76Å; L105-M107 VanDerWaalsContact C-N 3.32Å; L105-M107 PolarHBondContact O-N 3.25Å; M107-S110 PolarHBondContact O-N 3.48Å; M107-I111 HydrophobicContact CG-CD1 3.97Å; M107-I111 WeakPolarHBondContact O-CB 3.45Å; M107-I111 WeakPolarHBondContact O-CD1 3.09Å; M107-I111 WeakPolarHBondContact O-CG1 3.4Å; M107-I111 PolarHBondContact O-N 3.46Å
108	V	63	Low	62.5	Low	39 Å²	39	96 Å²	96	24%	0.236	49%	0.492	C	S	.	.	H	α-helix	trans	-62	-46.7	176.2	167.3	0	0	0	0	110.9	T104 L105 I111 F112	T104-V108 HydrophobicContact CG2-CG2 4.46Å; T104-V108 WeakPolarHBondContact O-CB 3.33Å; T104-V108 WeakPolarHBondContact O-CG2 3.22Å; T104-V108 PolarHBondContact O-N 2.96Å; L105-V108 PolarHBondContact O-N 2.6Å; V108-I111 PolarHBondContact O-N 3.27Å; V108-F112 HydrophobicContact CG1-CD2 3.77Å; V108-F112 HydrophobicContact CG1-CE2 3.17Å; V108-F112 HydrophobicContact CG1-CZ 3.84Å; V108-F112 WeakPolarHBondContact O-CD2 3.11Å; V108-F112 VanDerWaalsContact O-CG 3.28Å; V108-F112 WeakPolarHBondContact O-CG 3.43Å; V108-F112 PolarHBondContact O-N 3.5Å
109	L	64.4	Low	60.5	Low	73 Å²	73	96.3 Å²	96.3	38%	0.382	50%	0.495	S	S	.	.	H	α-helix	trans	-65.5	-38.3	176.1	-69.1	176.5	0	0	0	112.3	L105 N106 F112 H113	L105-L109 HydrophobicContact CD1-CD1 4.37Å; L105-L109 HydrophobicContact CD1-CG 4.36Å; L105-L109 HydrophobicContact CD2-CD1 4.45Å; L105-L109 HydrophobicContact CG-CD1 3.93Å; L105-L109 HydrophobicContact CG-CG 4.3Å; L105-L109 WeakPolarHBondContact O-CB 3.17Å; L105-L109 WeakPolarHBondContact O-CG 3.22Å; L105-L109 PolarHBondContact O-N 2.96Å; N106-L109 CarbonylContact O-C 3.12Å; N106-L109 PolarHBondContact O-N 2.78Å; L109-F112 PolarHBondContact O-N 3.35Å; L109-H113 WeakPolarHBondContact O-CB 3.32Å; L109-H113 PolarHBondContact O-N 3.35Å
110	S	60.4	Low	58.9	Low	73 Å²	73	95.3 Å²	95.3	51%	0.51	49%	0.492	S	S	.	.	H	α-helix	trans	-68.1	-39.3	175.9	-70.7	0	0	0	0	111.1	N106 M107 F112 H113 A114	N106-S110 WeakPolarHBondContact O-CA 3.41Å; N106-S110 WeakPolarHBondContact O-CB 3.49Å; N106-S110 PolarHBondContact O-N 2.77Å; N106-S110 PolarHBondContact O-OG 3.28Å; M107-S110 PolarHBondContact O-N 3.48Å; S110-F112 VanDerWaalsContact C-N 3.34Å; S110-H113 PolarHBondContact O-N 2.68Å; S110-A114 WeakPolarHBondContact O-CB 3.48Å; S110-A114 PolarHBondContact O-N 2.8Å
111	I	62.1	Low	57.5	Low	92 Å²	92	94.2 Å²	94.2	47%	0.472	49%	0.494	S	S	.	.	H	α-helix	trans	-61.8	-45.3	170.9	-70.6	163	0	0	0	109.4	M107 V108 H113 A114 M115	M107-I111 HydrophobicContact CG-CD1 3.97Å; M107-I111 WeakPolarHBondContact O-CB 3.45Å; M107-I111 WeakPolarHBondContact O-CD1 3.09Å; M107-I111 WeakPolarHBondContact O-CG1 3.4Å; M107-I111 PolarHBondContact O-N 3.46Å; V108-I111 PolarHBondContact O-N 3.27Å; I111-H113 PolarHBondContact O-N 3.39Å; I111-A114 PolarHBondContact O-N 3.26Å; I111-M115 HydrophobicContact CG2-CG 4.32Å; I111-M115 VanDerWaalsContact O-CB 3.29Å; I111-M115 WeakPolarHBondContact O-CB 3.17Å; I111-M115 WeakPolarHBondContact O-CG 3.44Å; I111-M115 PolarHBondContact O-N 3.23Å
112	F	59.2	Low	56.6	Low	24 Å²	24	91.3 Å²	91.3	11%	0.105	48%	0.481	C	S	.	.	H	α-helix	trans	-62.9	-41.4	176.8	-67.1	-43	0	0	0	112.8	V3 V108 L109 S110 M115 E116 R117 C119	V3-F112 HydrophobicContact CB-CD1 4.3Å; V3-F112 HydrophobicContact CB-CE1 3.48Å; V3-F112 VanDerWaalsContact CB-CE1 3.48Å; V3-F112 HydrophobicContact CB-CZ 3.99Å; V3-F112 HydrophobicContact CG1-CE1 3.51Å; V3-F112 HydrophobicContact CG1-CZ 3.7Å; V3-F112 HydrophobicContact CG2-CD1 4.26Å; V3-F112 HydrophobicContact CG2-CE1 3.72Å; V108-F112 HydrophobicContact CG1-CD2 3.77Å; V108-F112 HydrophobicContact CG1-CE2 3.17Å; V108-F112 HydrophobicContact CG1-CZ 3.84Å; V108-F112 WeakPolarHBondContact O-CD2 3.11Å; V108-F112 VanDerWaalsContact O-CG 3.28Å; V108-F112 WeakPolarHBondContact O-CG 3.43Å; V108-F112 PolarHBondContact O-N 3.5Å; L109-F112 PolarHBondContact O-N 3.35Å; S110-F112 VanDerWaalsContact C-N 3.34Å; F112-M115 PolarHBondContact O-N 2.84Å; F112-E116 PolarHBondContact O-N 2.8Å; F112-R117 PolarHBondContact O-N 3.46Å; F112-C119 HydrophobicContact CB-CB 4.25Å; F112-C119 HydrophobicContact CD2-CB 3.58Å; F112-C119 HydrophobicContact CE2-CB 3.99Å; F112-C119 WeakPolarHBondContact CE2-SG 3.1Å; F112-C119 HydrophobicContact CG-CB 3.9Å
113	H	59.9	Low	55.7	Low	159 Å²	159	90 Å²	90	74%	0.736	47%	0.465	S	S	*	.	H	α-helix	trans	-66.2	-47.2	177.3	-169.6	77.8	0	0	0	111.8	L109 S110 I111 M115 E116	L109-H113 WeakPolarHBondContact O-CB 3.32Å; L109-H113 PolarHBondContact O-N 3.35Å; S110-H113 PolarHBondContact O-N 2.68Å; I111-H113 PolarHBondContact O-N 3.39Å; H113-M115 PolarHBondContact O-N 2.87Å; H113-E116 PolarHBondContact O-N 2.74Å
114	A	63.5	Low	55.1	Low	83 Å²	83	84 Å²	84	69%	0.686	44%	0.439	S	S	*	.	H	α-helix	trans	-63.3	-29.3	177.9	0	0	0	0	0	112.8	S110 I111 E116	S110-A114 WeakPolarHBondContact O-CB 3.48Å; S110-A114 PolarHBondContact O-N 2.8Å; I111-A114 PolarHBondContact O-N 3.26Å; A114-E116 VanDerWaalsContact C-N 3.28Å
115	M	62.4	Low	54.2	Low	102 Å²	102	81.4 Å²	81.4	50%	0.502	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-0.4	176	-64.6	-75	-77.3	0	0	112.9	I111 F112 H113 R117	I111-M115 HydrophobicContact CG2-CG 4.32Å; I111-M115 VanDerWaalsContact O-CB 3.29Å; I111-M115 WeakPolarHBondContact O-CB 3.17Å; I111-M115 WeakPolarHBondContact O-CG 3.44Å; I111-M115 PolarHBondContact O-N 3.23Å; F112-M115 PolarHBondContact O-N 2.84Å; H113-M115 PolarHBondContact O-N 2.87Å; M115-R117 HydrophobicContact CB-CB 4.35Å; M115-R117 HydrophobicContact CB-CG 3.85Å; M115-R117 WeakPolarHBondContact O-CG 3.14Å; M115-R117 PolarHBondContact O-N 3.5Å; M115-R117 VanDerWaalsContact O-N 3.17Å
116	E	59.8	Low	53.1	Low	185 Å²	185	79.9 Å²	79.9	86%	0.864	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	32	-170.8	-62.3	-175.5	177.1	0	0	113.1	F112 H113 A114	F112-E116 PolarHBondContact O-N 2.8Å; H113-E116 PolarHBondContact O-N 2.74Å; A114-E116 VanDerWaalsContact C-N 3.28Å
117	R	52.5	Low	51.9	Low	82 Å²	82	79.9 Å²	79.9	31%	0.309	42%	0.419	S	S	.	.			trans	-98.9	130.9	-176.3	-69.5	-179	-175.3	-156.6	-2.6	110.7	M1 F112 M115 C119	M1-R117 PolarHBondContact SD-NH1 3.14Å; F112-R117 PolarHBondContact O-N 3.46Å; M115-R117 HydrophobicContact CB-CB 4.35Å; M115-R117 HydrophobicContact CB-CG 3.85Å; M115-R117 WeakPolarHBondContact O-CG 3.14Å; M115-R117 PolarHBondContact O-N 3.5Å; M115-R117 VanDerWaalsContact O-N 3.17Å; R117-C119 PolarHBondContact O-N 3.4Å; R117-C119 VanDerWaalsContact O-N 3.07Å
118	K	47.7	Very low	50.6	Low	182 Å²	182	77.7 Å²	77.7	79%	0.791	41%	0.412	S	S	*	.			trans	-64.9	109.3	166.6	-66.1	-177	-178.8	178.3	0	108.6	V120	K118-V120 PolarHBondContact O-N 2.97Å
119	C	40.6	Very low	49.1	Very low	42 Å²	42	80.9 Å²	80.9	28%	0.284	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-76.6	116.4	164.4	-176.9	0	0	0	0	107.7	F112 R117	F112-C119 HydrophobicContact CB-CB 4.25Å; F112-C119 HydrophobicContact CD2-CB 3.58Å; F112-C119 HydrophobicContact CE2-CB 3.99Å; F112-C119 WeakPolarHBondContact CE2-SG 3.1Å; F112-C119 HydrophobicContact CG-CB 3.9Å; R117-C119 PolarHBondContact O-N 3.4Å; R117-C119 VanDerWaalsContact O-N 3.07Å
120	V	44.2	Very low	47.6	Very low	55 Å²	55	86 Å²	86	33%	0.333	45%	0.447	S	S	.	.			trans	-100.8	104.4	164.7	179.2	0	0	0	0	104.6	Q2 K118 V122	Q2-V120 HydrophobicContact CG-CB 4.21Å; Q2-V120 HydrophobicContact CG-CG2 4.02Å; Q2-V120 VanDerWaalsContact NE2-CB 3.3Å; K118-V120 PolarHBondContact O-N 2.97Å; V120-V122 HydrophobicContact CG1-CG2 3.96Å; V120-V122 PolarHBondContact O-N 2.66Å
121	L	46.7	Very low	46.1	Very low	89 Å²	89	85.4 Å²	85.4	47%	0.466	45%	0.447	S	S	.	.			trans	-62.4	96.1	159.3	-83.3	155.4	0	0	0	105.7	F7 L11 R123	F7-L121 HydrophobicContact CD2-CD2 4.07Å; L11-L121 HydrophobicContact CD1-CD2 3.83Å; L121-R123 PolarHBondContact O-N 3.17Å
122	V	43.3	Very low	44.2	Very low	58 Å²	58	90.4 Å²	90.4	35%	0.352	47%	0.465	S	S	.	.			trans	-69.1	93.5	169.3	-179.2	0	0	0	0	104.2	V4 V120 V124	V4-V122 HydrophobicContact CB-CG2 4.47Å; V4-V122 HydrophobicContact CG1-CB 4.14Å; V4-V122 HydrophobicContact CG1-CG2 3.85Å; V4-V122 HydrophobicContact CG2-CG2 3.94Å; V120-V122 HydrophobicContact CG1-CG2 3.96Å; V120-V122 PolarHBondContact O-N 2.66Å; V122-V124 PolarHBondContact O-N 3.38Å
123	R	41.7	Very low	42.7	Very low	72 Å²	72	97.6 Å²	97.6	27%	0.272	53%	0.529	S	S	.	.			trans	-41.1	110.2	160.8	177	-173.1	-95.1	178.1	-1	105.5	I88 L121 G125 F126	I88-R123 VanDerWaalsContact CG2-CZ 3.48Å; L121-R123 PolarHBondContact O-N 3.17Å; R123-G125 PolarHBondContact O-N 3.24Å; R123-F126 VanDerWaalsContact CD-CB 3.5Å; R123-F126 HydrophobicContact CG-CB 4.04Å; R123-F126 HydrophobicContact CG-CD2 4.07Å; R123-F126 HydrophobicContact CG-CG 4.47Å; R123-F126 PolarHBondContact O-N 2.79Å
124	V	42.9	Very low	41.9	Very low	28 Å²	28	94.5 Å²	94.5	17%	0.17	52%	0.518	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	111.3	-172.3	-175.6	0	0	0	0	107.7	F7 V122 F126	F7-V124 HydrophobicContact CB-CG2 4.38Å; V122-V124 PolarHBondContact O-N 3.38Å; V124-F126 WeakPolarHBondContact O-CD2 3.29Å
125	G	39.8	Very low	40.8	Very low	20 Å²	20	95.1 Å²	95.1	21%	0.206	51%	0.509	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	-6.9	175.1	0	0	0	0	0	119.5	R123	R123-G125 PolarHBondContact O-N 3.24Å
126	F	38.3	Very low	39.6	Very low	12 Å²	12	94.7 Å²	94.7	5%	0.053	51%	0.51	C	S	.	.			trans	-118.4	108.4	-178.3	-61	-93.7	0	0	0	111.2	F28 H75 L78 R123 V124 T128	F28-F126 HydrophobicContact CD2-CE2 4.34Å; F28-F126 HydrophobicContact CD2-CZ 4.38Å; F28-F126 AromaticContact CE2-CE2 3.84Å; F28-F126 HydrophobicContact CE2-CE2 3.84Å; F28-F126 HydrophobicContact CE2-CZ 4.18Å; H75-F126 HydrophobicContact CB-CD1 4.25Å; H75-F126 HydrophobicContact CB-CE1 4.2Å; H75-F126 AromaticContact ND1-CD1 3.31Å; H75-F126 VanDerWaalsContact ND1-CD1 3.31Å; H75-F126 WeakPolarHBondContact ND1-CD1 3.47Å; H75-F126 AromaticContact ND1-CE1 3.98Å; L78-F126 HydrophobicContact CB-CE1 4.37Å; L78-F126 HydrophobicContact CD1-CD1 4.03Å; L78-F126 HydrophobicContact CD1-CE1 3.16Å; L78-F126 HydrophobicContact CD1-CE2 4.5Å; L78-F126 HydrophobicContact CD1-CZ 3.46Å; L78-F126 VanDerWaalsContact CD1-CZ 3.46Å; L78-F126 HydrophobicContact CG-CE1 3.84Å; L78-F126 HydrophobicContact CG-CZ 4.17Å; R123-F126 VanDerWaalsContact CD-CB 3.5Å; R123-F126 HydrophobicContact CG-CB 4.04Å; R123-F126 HydrophobicContact CG-CD2 4.07Å; R123-F126 HydrophobicContact CG-CG 4.47Å; R123-F126 PolarHBondContact O-N 2.79Å; V124-F126 WeakPolarHBondContact O-CD2 3.29Å; F126-T128 PolarHBondContact O-N 2.92Å
127	N	35.5	Very low	38.4	Very low	84 Å²	84	89.4 Å²	89.4	45%	0.449	49%	0.489	S	S	.	.			trans	-64.9	101.2	167.7	-171.5	-10.9	0	0	0	109.3	T129 Y130	N127-T129 PolarHBondContact O-N 3.02Å; N127-T129 WeakPolarHBondContact OD1-CB 3.29Å; N127-T129 PolarHBondContact OD1-N 3.5Å; N127-T129 PolarHBondContact OD1-OG1 2.89Å; N127-Y130 HydrophobicContact CB-CD2 4.35Å; N127-Y130 HydrophobicContact CB-CE2 4.41Å
128	T	35.7	Very low	37.5	Very low	78 Å²	78	89.9 Å²	89.9	48%	0.479	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-75.8	3.3	176.7	50.1	0	0	0	0	113.4	F126 Y130 A131	F126-T128 PolarHBondContact O-N 2.92Å; T128-Y130 PolarHBondContact O-N 3.2Å; T128-A131 PolarHBondContact O-N 3.21Å
129	T	31.7	Very low	36.8	Very low	105 Å²	105	83.7 Å²	83.7	64%	0.644	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-66.2	-17	175.4	-42.6	0	0	0	0	112.4	N127	N127-T129 PolarHBondContact O-N 3.02Å; N127-T129 WeakPolarHBondContact OD1-CB 3.29Å; N127-T129 PolarHBondContact OD1-N 3.5Å; N127-T129 PolarHBondContact OD1-OG1 2.89Å
130	Y	32.7	Very low	36.5	Very low	181 Å²	181	86.7 Å²	86.7	71%	0.71	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-91.9	-1	179.3	-63.3	-75.7	0	0	0	115.2	N127 T128 K132	N127-Y130 HydrophobicContact CB-CD2 4.35Å; N127-Y130 HydrophobicContact CB-CE2 4.41Å; T128-Y130 PolarHBondContact O-N 3.2Å; Y130-K132 PolarHBondContact O-N 2.95Å; Y130-K132 VanDerWaalsContact O-N 3.14Å
131	A	27.5	Very low	35.9	Very low	60 Å²	60	89.2 Å²	89.2	50%	0.496	51%	0.507	S	S	.	.	S	Bend	trans	-85.3	32.2	173.1	0	0	0	0	0	113.1	T128	T128-A131 PolarHBondContact O-N 3.21Å
132	K	22.2	Very low	35	Very low	198 Å²	198	89.2 Å²	89.2	86%	0.861	51%	0.511	S	S	*	.			trans	-130.2	81.7	166.7	-82.6	-170.8	175.4	-176	0	108.5	Y130	Y130-K132 PolarHBondContact O-N 2.95Å; Y130-K132 VanDerWaalsContact O-N 3.14Å
133	A	29.2	Very low	34.3	Very low	174 Å²	174	92 Å²	92	100%	1.438	53%	0.525	S	S	*	.			trans	-148.2	0	146.5	0	0	0	0	0	106.5

Retrieved 133 of 133 residues in 101.3 ms (Link to these results)

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