A0A087WVZ0_HUMAN Loading...

Mitochondrial pyruvate carrier

Mediates the uptake of pyruvate into mitochondria.

AlphaFold DB , UniProt , Accession A0A087WVZ0, Species HUMAN (Homo sapiens, Human), Gene MPC1, Length 109 aa.

						>A0A087WVZ0_HUMAN|A0A087WVZ0|MPC1
MAGALVRKAADYVRSKDFRDYLMRTHFWGPVANWGLPIAAINDMKKSPEIISGRMTFALCCYSLTFMRFAYKVQPRNWLLFACHATNEVAQLIQGGRLIKHEMTKTASA
					

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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	59.6	Low	72.7	Confident	208 Å²	208	103.4 Å²	103.4	100%	1.025	59%	0.591	S	S	*	*				0	-58.3	0	-63.6	-64.9	-100.2	0	0	112.4	G3 A4 L5	M1-G3 PolarHBondContact O-N 3.06Å; M1-A4 PolarHBondContact O-N 3.4Å; M1-L5 PolarHBondContact O-N 2.9Å
2	A	63.9	Low	72.4	Confident	74 Å²	74	108.9 Å²	108.9	61%	0.612	60%	0.597	S	S	*	*	H	α-helix	trans	-61.8	-45	-178.2	0	0	0	0	0	114.9	A4 L5 V6	A2-A4 VanDerWaalsContact C-N 3.26Å; A2-A4 PolarHBondContact O-N 3.23Å; A2-L5 PolarHBondContact O-N 3.33Å; A2-L5 VanDerWaalsContact O-N 3.15Å; A2-V6 WeakPolarHBondContact O-CG2 3.38Å; A2-V6 PolarHBondContact O-N 3.41Å
3	G	71.4	Confident	72.2	Confident	38 Å²	38	107 Å²	107	39%	0.392	59%	0.591	S	S	.	*	H	α-helix	trans	-68.1	-17.8	-178.8	0	0	0	0	0	115.5	M1 R7	M1-G3 PolarHBondContact O-N 3.06Å; G3-R7 PolarHBondContact O-N 3.46Å; G3-R7 PolarHBondContact O-NE 3.24Å; G3-R7 PolarHBondContact O-NH2 3.38Å
4	A	73.8	Confident	71.8	Confident	56 Å²	56	113.2 Å²	113.2	46%	0.463	60%	0.601	S	S	.	*	H	α-helix	trans	-81.1	-35.4	173.1	0	0	0	0	0	111.3	M1 A2 K8	M1-A4 PolarHBondContact O-N 3.4Å; A2-A4 VanDerWaalsContact C-N 3.26Å; A2-A4 PolarHBondContact O-N 3.23Å; A4-K8 WeakPolarHBondContact O-CB 3.27Å; A4-K8 PolarHBondContact O-N 3.09Å
5	L	74.4	Confident	71.9	Confident	124 Å²	124	107.7 Å²	107.7	65%	0.649	58%	0.575	S	S	*	*	H	α-helix	trans	-68.7	-40.6	173.7	-67.3	170.2	0	0	0	111.5	M1 A2 K8 A9	M1-L5 PolarHBondContact O-N 2.9Å; A2-L5 PolarHBondContact O-N 3.33Å; A2-L5 VanDerWaalsContact O-N 3.15Å; L5-K8 PolarHBondContact O-N 3.1Å; L5-A9 WeakPolarHBondContact O-CB 3.37Å; L5-A9 PolarHBondContact O-N 3.26Å
6	V	78.9	Confident	71.6	Confident	100 Å²	100	110.4 Å²	110.4	61%	0.606	58%	0.58	S	S	*	*	H	α-helix	trans	-63.7	-42.8	176.2	173.5	0	0	0	0	111.6	A2 A9 A10	A2-V6 WeakPolarHBondContact O-CG2 3.38Å; A2-V6 PolarHBondContact O-N 3.41Å; V6-A9 PolarHBondContact O-N 2.81Å; V6-A10 WeakPolarHBondContact O-CB 3.45Å; V6-A10 PolarHBondContact O-N 2.73Å
7	R	75.3	Confident	71.4	Confident	167 Å²	167	111.6 Å²	111.6	63%	0.63	59%	0.587	S	S	*	*	H	α-helix	trans	-65.4	-44.4	175.8	-85	175.3	-73.6	-157.5	1.1	112.3	G3 A9 A10 D11	G3-R7 PolarHBondContact O-N 3.46Å; G3-R7 PolarHBondContact O-NE 3.24Å; G3-R7 PolarHBondContact O-NH2 3.38Å; R7-A9 VanDerWaalsContact C-N 3.3Å; R7-A9 PolarHBondContact O-N 2.96Å; R7-A10 PolarHBondContact O-N 3.05Å; R7-A10 VanDerWaalsContact O-N 3.16Å; R7-D11 WeakPolarHBondContact O-CB 3.42Å; R7-D11 VanDerWaalsContact O-CG 3.23Å; R7-D11 PolarHBondContact O-N 3.48Å
8	K	74.9	Confident	71.2	Confident	159 Å²	159	109.6 Å²	109.6	69%	0.691	57%	0.573	S	S	*	*	H	α-helix	trans	-59.2	-39.7	173.5	-88.4	-173.8	169.5	-177	0	112.8	A4 L5 Y12	A4-K8 WeakPolarHBondContact O-CB 3.27Å; A4-K8 PolarHBondContact O-N 3.09Å; L5-K8 PolarHBondContact O-N 3.1Å; K8-Y12 VanDerWaalsContact O-CB 3.28Å; K8-Y12 WeakPolarHBondContact O-CB 3.35Å; K8-Y12 PolarHBondContact O-N 3.39Å
9	A	76.1	Confident	71	Confident	55 Å²	55	111.6 Å²	111.6	46%	0.455	57%	0.572	S	S	.	*	H	α-helix	trans	-66.2	-43.2	175.1	0	0	0	0	0	111.7	L5 V6 R7 Y12 V13	L5-A9 WeakPolarHBondContact O-CB 3.37Å; L5-A9 PolarHBondContact O-N 3.26Å; V6-A9 PolarHBondContact O-N 2.81Å; R7-A9 VanDerWaalsContact C-N 3.3Å; R7-A9 PolarHBondContact O-N 2.96Å; A9-Y12 PolarHBondContact O-N 3.38Å; A9-V13 VanDerWaalsContact O-CG2 3.28Å; A9-V13 WeakPolarHBondContact O-CG2 3.48Å; A9-V13 PolarHBondContact O-N 3.07Å
10	A	77.6	Confident	70.7	Confident	50 Å²	50	108.8 Å²	108.8	41%	0.413	56%	0.558	S	S	.	*	H	α-helix	trans	-64.2	-41.8	177.3	0	0	0	0	0	112.4	V6 R7 V13 R14	V6-A10 WeakPolarHBondContact O-CB 3.45Å; V6-A10 PolarHBondContact O-N 2.73Å; R7-A10 PolarHBondContact O-N 3.05Å; R7-A10 VanDerWaalsContact O-N 3.16Å; A10-V13 PolarHBondContact O-N 3.27Å; A10-R14 WeakPolarHBondContact O-CB 3.4Å; A10-R14 PolarHBondContact O-N 2.92Å
11	D	74.2	Confident	70.6	Confident	106 Å²	106	109 Å²	109	57%	0.567	55%	0.553	S	S	*	*	H	α-helix	trans	-68.9	-36.2	178.2	-67	-26.3	0	0	0	111.4	R7 R14 S15	R7-D11 WeakPolarHBondContact O-CB 3.42Å; R7-D11 VanDerWaalsContact O-CG 3.23Å; R7-D11 PolarHBondContact O-N 3.48Å; D11-R14 CarbonylContact O-C 3.56Å; D11-R14 PolarHBondContact O-N 2.94Å; D11-S15 PolarHBondContact O-N 3.49Å
12	Y	68.6	Low	70.8	Confident	170 Å²	170	101.8 Å²	101.8	67%	0.667	52%	0.518	S	S	*	.	H	α-helix	trans	-64.6	-42.8	173.5	-168.5	-99.1	0	0	0	112	K8 A9 R14 S15 F18	K8-Y12 VanDerWaalsContact O-CB 3.28Å; K8-Y12 WeakPolarHBondContact O-CB 3.35Å; K8-Y12 PolarHBondContact O-N 3.39Å; A9-Y12 PolarHBondContact O-N 3.38Å; Y12-R14 VanDerWaalsContact C-N 3.29Å; Y12-R14 PolarHBondContact O-N 2.91Å; Y12-S15 VanDerWaalsContact O-CB 3.31Å; Y12-S15 WeakPolarHBondContact O-CB 3.46Å; Y12-S15 PolarHBondContact O-N 3.38Å; Y12-S15 PolarHBondContact O-OG 2.89Å; Y12-F18 WeakPolarHBondContact O-CB 3.45Å
13	V	69.8	Low	70.8	Confident	84 Å²	84	105.8 Å²	105.8	51%	0.509	53%	0.526	S	S	.	.	H	α-helix	trans	-66.7	-30.1	174.7	172.7	0	0	0	0	111.9	A9 A10 F18	A9-V13 VanDerWaalsContact O-CG2 3.28Å; A9-V13 WeakPolarHBondContact O-CG2 3.48Å; A9-V13 PolarHBondContact O-N 3.07Å; A10-V13 PolarHBondContact O-N 3.27Å; V13-F18 HydrophobicContact CG1-CD1 4.34Å; V13-F18 HydrophobicContact CG1-CE1 4.04Å; V13-F18 WeakPolarHBondContact O-CD1 3.2Å
14	R	66.3	Low	70.5	Confident	194 Å²	194	111.1 Å²	111.1	73%	0.732	53%	0.534	S	S	*	.	H	α-helix	trans	-83.8	-9.5	175	-102.4	179.5	168.9	178.7	-3.5	114.5	A10 D11 Y12	A10-R14 WeakPolarHBondContact O-CB 3.4Å; A10-R14 PolarHBondContact O-N 2.92Å; D11-R14 CarbonylContact O-C 3.56Å; D11-R14 PolarHBondContact O-N 2.94Å; Y12-R14 VanDerWaalsContact C-N 3.29Å; Y12-R14 PolarHBondContact O-N 2.91Å
15	S	74.6	Confident	69.8	Low	31 Å²	31	114 Å²	114	22%	0.217	55%	0.547	C	S	.	.	S	Bend	trans	-60.8	147	-176.9	72	0	0	0	0	112.2	D11 Y12 D17 F18 R19	D11-S15 PolarHBondContact O-N 3.49Å; Y12-S15 VanDerWaalsContact O-CB 3.31Å; Y12-S15 WeakPolarHBondContact O-CB 3.46Å; Y12-S15 PolarHBondContact O-N 3.38Å; Y12-S15 PolarHBondContact O-OG 2.89Å; S15-D17 PolarHBondContact O-N 3.29Å; S15-F18 PolarHBondContact O-N 3.43Å; S15-F18 WeakPolarHBondContact OG-CB 3.47Å; S15-F18 PolarHBondContact OG-N 3.26Å; S15-R19 PolarHBondContact O-N 3.08Å; S15-R19 VanDerWaalsContact O-N 3.16Å
16	K	66.9	Low	69.1	Low	151 Å²	151	113 Å²	113	66%	0.657	54%	0.538	S	S	*	.	H	α-helix	trans	-60.4	-33.4	176.2	-172.3	178.9	177.4	-68	0	111.2	R19 D20	K16-R19 PolarHBondContact O-N 3.45Å; K16-D20 IonicContact NZ-OD2 2.75Å; K16-D20 PolarHBondContact NZ-OD2 3.03Å; K16-D20 VanDerWaalsContact O-CB 3.28Å; K16-D20 WeakPolarHBondContact O-CB 3.39Å; K16-D20 VanDerWaalsContact O-CG 3.32Å; K16-D20 PolarHBondContact O-N 3.13Å
17	D	67.3	Low	68.4	Low	131 Å²	131	110.2 Å²	110.2	70%	0.701	52%	0.518	S	S	*	.	H	α-helix	trans	-65.3	-41.1	177.1	-65.9	-38.5	0	0	0	112.6	S15 Y21	S15-D17 PolarHBondContact O-N 3.29Å; D17-Y21 VanDerWaalsContact O-CB 3.31Å; D17-Y21 WeakPolarHBondContact O-CB 3.45Å; D17-Y21 PolarHBondContact O-N 3.21Å
18	F	68.5	Low	67.9	Low	75 Å²	75	109.3 Å²	109.3	33%	0.329	52%	0.515	S	S	.	.	H	α-helix	trans	-67.4	-41.6	175.5	-175.4	-104.5	0	0	0	111.7	Y12 V13 S15 Y21 L22	Y12-F18 WeakPolarHBondContact O-CB 3.45Å; V13-F18 HydrophobicContact CG1-CD1 4.34Å; V13-F18 HydrophobicContact CG1-CE1 4.04Å; V13-F18 WeakPolarHBondContact O-CD1 3.2Å; S15-F18 PolarHBondContact O-N 3.43Å; S15-F18 WeakPolarHBondContact OG-CB 3.47Å; S15-F18 PolarHBondContact OG-N 3.26Å; F18-Y21 WeakPolarHBondContact O-CB 3.3Å; F18-Y21 PolarHBondContact O-N 3.45Å; F18-L22 HydrophobicContact CD1-CD1 3.82Å; F18-L22 HydrophobicContact CD1-CG 4.3Å; F18-L22 HydrophobicContact CE1-CD1 3.46Å; F18-L22 VanDerWaalsContact CE1-CD1 3.46Å; F18-L22 HydrophobicContact CE1-CG 4.04Å; F18-L22 HydrophobicContact CZ-CD1 4.11Å; F18-L22 HydrophobicContact CZ-CD2 4.34Å; F18-L22 HydrophobicContact CZ-CG 4.28Å; F18-L22 WeakPolarHBondContact O-CG 3.44Å; F18-L22 PolarHBondContact O-N 3.07Å
19	R	66.6	Low	67.5	Low	147 Å²	147	103.8 Å²	103.8	56%	0.555	50%	0.503	S	S	*	.	H	α-helix	trans	-64.6	-42.6	175.5	-72.7	178.4	167.4	-167.4	-4.9	112.3	S15 K16 Y21 L22 M23	S15-R19 PolarHBondContact O-N 3.08Å; S15-R19 VanDerWaalsContact O-N 3.16Å; K16-R19 PolarHBondContact O-N 3.45Å; R19-Y21 VanDerWaalsContact C-N 3.28Å; R19-Y21 PolarHBondContact O-N 3.47Å; R19-L22 PolarHBondContact O-N 3.36Å; R19-M23 WeakPolarHBondContact O-CB 3.43Å; R19-M23 WeakPolarHBondContact O-CG 3.31Å; R19-M23 PolarHBondContact O-N 3.12Å
20	D	66.4	Low	66.9	Low	56 Å²	56	101.5 Å²	101.5	30%	0.299	48%	0.483	S	S	.	.	H	α-helix	trans	-67.3	-30.9	175.2	-76.8	-12.8	0	0	0	111	K16 R24	K16-D20 IonicContact NZ-OD2 2.75Å; K16-D20 PolarHBondContact NZ-OD2 3.03Å; K16-D20 VanDerWaalsContact O-CB 3.28Å; K16-D20 WeakPolarHBondContact O-CB 3.39Å; K16-D20 VanDerWaalsContact O-CG 3.32Å; K16-D20 PolarHBondContact O-N 3.13Å; D20-R24 WeakPolarHBondContact O-CD 3.43Å; D20-R24 WeakPolarHBondContact O-CG 3.33Å; D20-R24 PolarHBondContact O-N 3.39Å; D20-R24 PolarHBondContact O-NE 3.27Å
21	Y	66.9	Low	66.4	Low	114 Å²	114	101.5 Å²	101.5	45%	0.447	48%	0.478	S	S	.	.	H	α-helix	trans	-68.9	-42.5	172.6	-152.6	-94.9	0	0	0	111.9	D17 F18 R19 M23 R24 F27 L79	D17-Y21 VanDerWaalsContact O-CB 3.31Å; D17-Y21 WeakPolarHBondContact O-CB 3.45Å; D17-Y21 PolarHBondContact O-N 3.21Å; F18-Y21 WeakPolarHBondContact O-CB 3.3Å; F18-Y21 PolarHBondContact O-N 3.45Å; R19-Y21 VanDerWaalsContact C-N 3.28Å; R19-Y21 PolarHBondContact O-N 3.47Å; Y21-M23 VanDerWaalsContact C-N 3.34Å; Y21-M23 PolarHBondContact O-N 3.3Å; Y21-R24 PolarHBondContact O-N 3.43Å; Y21-F27 HydrophobicContact CD1-CD2 4.43Å; Y21-F27 WeakPolarHBondContact O-CB 3.26Å; Y21-L79 HydrophobicContact CE1-CD1 4.15Å
22	L	65.1	Low	65.9	Low	55 Å²	55	100.3 Å²	100.3	29%	0.288	48%	0.483	S	S	.	.	H	α-helix	trans	-64.9	-34.7	175.1	-73	176.4	0	0	0	112.8	F18 R19 F27 W28	F18-L22 HydrophobicContact CD1-CD1 3.82Å; F18-L22 HydrophobicContact CD1-CG 4.3Å; F18-L22 HydrophobicContact CE1-CD1 3.46Å; F18-L22 VanDerWaalsContact CE1-CD1 3.46Å; F18-L22 HydrophobicContact CE1-CG 4.04Å; F18-L22 HydrophobicContact CZ-CD1 4.11Å; F18-L22 HydrophobicContact CZ-CD2 4.34Å; F18-L22 HydrophobicContact CZ-CG 4.28Å; F18-L22 WeakPolarHBondContact O-CG 3.44Å; F18-L22 PolarHBondContact O-N 3.07Å; R19-L22 PolarHBondContact O-N 3.36Å; L22-F27 HydrophobicContact CD2-CD1 4.05Å; L22-F27 HydrophobicContact CD2-CD2 4.2Å; L22-F27 HydrophobicContact CD2-CE1 3.45Å; L22-F27 VanDerWaalsContact CD2-CE1 3.45Å; L22-F27 HydrophobicContact CD2-CE2 3.65Å; L22-F27 HydrophobicContact CD2-CG 4.4Å; L22-F27 HydrophobicContact CD2-CZ 3.24Å; L22-F27 WeakPolarHBondContact O-CD1 3.44Å; L22-W28 PolarHBondContact O-NE1 3.27Å
23	M	63	Low	65.7	Low	158 Å²	158	94.4 Å²	94.4	78%	0.778	46%	0.463	S	S	*	.	H	α-helix	trans	-83.7	-9.2	-177.8	-73.2	-82	167	0	0	113.6	R19 Y21	R19-M23 WeakPolarHBondContact O-CB 3.43Å; R19-M23 WeakPolarHBondContact O-CG 3.31Å; R19-M23 PolarHBondContact O-N 3.12Å; Y21-M23 VanDerWaalsContact C-N 3.34Å; Y21-M23 PolarHBondContact O-N 3.3Å
24	R	65.1	Low	65.5	Low	150 Å²	150	95 Å²	95	57%	0.566	46%	0.456	S	S	*	.	S	Bend	trans	-75.7	140.8	177.3	-80.1	165.1	-164.6	-140.8	5.7	111.2	D20 Y21 H26 F27	D20-R24 WeakPolarHBondContact O-CD 3.43Å; D20-R24 WeakPolarHBondContact O-CG 3.33Å; D20-R24 PolarHBondContact O-N 3.39Å; D20-R24 PolarHBondContact O-NE 3.27Å; Y21-R24 PolarHBondContact O-N 3.43Å; R24-H26 PolarHBondContact O-N 2.93Å; R24-H26 VanDerWaalsContact O-N 3.12Å; R24-F27 WeakPolarHBondContact O-CB 3.4Å; R24-F27 PolarHBondContact O-N 3.45Å
25	T	59.2	Low	65.5	Low	118 Å²	118	87.8 Å²	87.8	72%	0.724	44%	0.442	S	S	*	.	H	α-helix	trans	-55.8	-28.1	173.3	45.6	0	0	0	0	113.2	F27 G29	T25-F27 PolarHBondContact O-N 3.08Å; T25-G29 PolarHBondContact O-N 3.43Å
26	H	59.8	Low	65.2	Low	103 Å²	103	90 Å²	90	48%	0.477	45%	0.451	S	S	.	.	H	α-helix	trans	-66.1	-16.3	173.3	-75.3	-83.2	0	0	0	114.8	R24 P30	R24-H26 PolarHBondContact O-N 2.93Å; R24-H26 VanDerWaalsContact O-N 3.12Å; H26-P30 WeakPolarHBondContact O-CD 3.33Å; H26-P30 VanDerWaalsContact O-CG 3.24Å; H26-P30 WeakPolarHBondContact O-CG 3.3Å
27	F	64.6	Low	65	Low	40 Å²	40	82.8 Å²	82.8	18%	0.175	42%	0.42	C	S	.	.	H	α-helix	trans	-89.9	-52.4	172.9	176.7	-96.8	0	0	0	110.9	Y21 L22 R24 T25 G29 P30 V31 L79	Y21-F27 HydrophobicContact CD1-CD2 4.43Å; Y21-F27 WeakPolarHBondContact O-CB 3.26Å; L22-F27 HydrophobicContact CD2-CD1 4.05Å; L22-F27 HydrophobicContact CD2-CD2 4.2Å; L22-F27 HydrophobicContact CD2-CE1 3.45Å; L22-F27 VanDerWaalsContact CD2-CE1 3.45Å; L22-F27 HydrophobicContact CD2-CE2 3.65Å; L22-F27 HydrophobicContact CD2-CG 4.4Å; L22-F27 HydrophobicContact CD2-CZ 3.24Å; L22-F27 WeakPolarHBondContact O-CD1 3.44Å; R24-F27 WeakPolarHBondContact O-CB 3.4Å; R24-F27 PolarHBondContact O-N 3.45Å; T25-F27 PolarHBondContact O-N 3.08Å; F27-G29 PolarHBondContact O-N 2.8Å; F27-P30 WeakPolarHBondContact O-CD 3.49Å; F27-V31 HydrophobicContact CD1-CG2 4.15Å; F27-V31 HydrophobicContact CD2-CG2 4.41Å; F27-V31 HydrophobicContact CE1-CG2 3.82Å; F27-V31 HydrophobicContact CE2-CG2 4.08Å; F27-V31 HydrophobicContact CG-CG2 4.42Å; F27-V31 HydrophobicContact CZ-CG2 3.76Å; F27-V31 WeakPolarHBondContact O-CB 3.37Å; F27-V31 WeakPolarHBondContact O-CG2 3.48Å; F27-V31 PolarHBondContact O-N 3.24Å; F27-L79 HydrophobicContact CD2-CD1 3.48Å; F27-L79 VanDerWaalsContact CD2-CD1 3.48Å; F27-L79 HydrophobicContact CE2-CD1 4.08Å; F27-L79 HydrophobicContact CG-CD1 4.37Å
28	W	64.3	Low	65.2	Low	148 Å²	148	81.4 Å²	81.4	56%	0.561	41%	0.412	S	S	*	.	H	α-helix	trans	-68.2	-34.5	-175.7	-73.5	103	0	0	0	114.2	L22 V31 A32	L22-W28 PolarHBondContact O-NE1 3.27Å; W28-V31 HydrophobicContact CE3-CG1 4.13Å; W28-V31 HydrophobicContact CZ3-CG1 4.26Å; W28-V31 PolarHBondContact O-N 2.97Å; W28-A32 WeakPolarHBondContact O-CB 3.35Å; W28-A32 PolarHBondContact O-N 3.42Å
29	G	66.3	Low	65.2	Low	43 Å²	43	80.1 Å²	80.1	44%	0.443	42%	0.415	S	S	.	.	H	α-helix	trans	-59.3	-54	177	0	0	0	0	0	112.7	T25 F27 A32 N33	T25-G29 PolarHBondContact O-N 3.43Å; F27-G29 PolarHBondContact O-N 2.8Å; G29-A32 PolarHBondContact O-N 2.92Å; G29-N33 PolarHBondContact O-N 3.31Å
30	P	63.8	Low	65.2	Low	7 Å²	7	73.4 Å²	73.4	5%	0.045	39%	0.391	C	S	.	.	H	α-helix	trans	-62.6	-38.1	172.5	-27.5	37.2	0	0	0	113.9	H26 F27 A32 N33 W34 L79 L80	H26-P30 WeakPolarHBondContact O-CD 3.33Å; H26-P30 VanDerWaalsContact O-CG 3.24Å; H26-P30 WeakPolarHBondContact O-CG 3.3Å; F27-P30 WeakPolarHBondContact O-CD 3.49Å; P30-A32 PolarHBondContact O-N 3.21Å; P30-N33 CarbonylContact O-C 3.56Å; P30-N33 WeakPolarHBondContact O-CA 3.44Å; P30-N33 VanDerWaalsContact O-CB 3.27Å; P30-N33 WeakPolarHBondContact O-CB 3.23Å; P30-N33 PolarHBondContact O-N 3.11Å; P30-W34 PolarHBondContact O-N 3.47Å; P30-W34 VanDerWaalsContact O-N 3.17Å; P30-L79 HydrophobicContact CB-CB 3.78Å; P30-L79 HydrophobicContact CG-CB 4.14Å; P30-L80 HydrophobicContact CB-CB 4.43Å; P30-L80 HydrophobicContact CG-CB 4.1Å
31	V	67.1	Low	65.3	Low	50 Å²	50	74.6 Å²	74.6	30%	0.303	40%	0.396	S	S	.	.	H	α-helix	trans	-62.6	-39.8	177.2	165.3	0	0	0	0	111.8	F27 W28 N33 W34	F27-V31 HydrophobicContact CD1-CG2 4.15Å; F27-V31 HydrophobicContact CD2-CG2 4.41Å; F27-V31 HydrophobicContact CE1-CG2 3.82Å; F27-V31 HydrophobicContact CE2-CG2 4.08Å; F27-V31 HydrophobicContact CG-CG2 4.42Å; F27-V31 HydrophobicContact CZ-CG2 3.76Å; F27-V31 WeakPolarHBondContact O-CB 3.37Å; F27-V31 WeakPolarHBondContact O-CG2 3.48Å; F27-V31 PolarHBondContact O-N 3.24Å; W28-V31 HydrophobicContact CE3-CG1 4.13Å; W28-V31 HydrophobicContact CZ3-CG1 4.26Å; W28-V31 PolarHBondContact O-N 2.97Å; V31-N33 PolarHBondContact O-N 3.49Å; V31-W34 WeakPolarHBondContact O-CB 3.43Å; V31-W34 PolarHBondContact O-N 3.03Å
32	A	63.1	Low	65.4	Low	82 Å²	82	73.7 Å²	73.7	68%	0.678	40%	0.399	S	S	*	.	H	α-helix	trans	-64.2	-30.9	171.9	0	0	0	0	0	111.9	W28 G29 P30 W34 G35	W28-A32 WeakPolarHBondContact O-CB 3.35Å; W28-A32 PolarHBondContact O-N 3.42Å; G29-A32 PolarHBondContact O-N 2.92Å; P30-A32 PolarHBondContact O-N 3.21Å; A32-W34 VanDerWaalsContact C-N 3.29Å; A32-W34 PolarHBondContact O-N 3.31Å; A32-G35 PolarHBondContact O-N 3.33Å
33	N	66.1	Low	65.5	Low	46 Å²	46	74.1 Å²	74.1	25%	0.246	40%	0.402	C	S	.	.	H	α-helix	trans	-74.4	-14.8	177.9	-124.5	-8.2	0	0	0	113.7	G29 P30 V31 G35 L36 P37 C83	G29-N33 PolarHBondContact O-N 3.31Å; P30-N33 CarbonylContact O-C 3.56Å; P30-N33 WeakPolarHBondContact O-CA 3.44Å; P30-N33 VanDerWaalsContact O-CB 3.27Å; P30-N33 WeakPolarHBondContact O-CB 3.23Å; P30-N33 PolarHBondContact O-N 3.11Å; V31-N33 PolarHBondContact O-N 3.49Å; N33-G35 PolarHBondContact O-N 3.43Å; N33-G35 VanDerWaalsContact O-N 3.14Å; N33-L36 PolarHBondContact O-N 3.01Å; N33-L36 VanDerWaalsContact O-N 3.12Å; N33-P37 WeakPolarHBondContact O-CD 3.45Å; N33-C83 PolarHBondContact O-SG 3.12Å
34	W	64.9	Low	65.5	Low	95 Å²	95	69.2 Å²	69.2	36%	0.36	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-13.7	172.4	-89.7	72.6	0	0	0	113.4	P30 V31 A32 L36 P37 I38	P30-W34 PolarHBondContact O-N 3.47Å; P30-W34 VanDerWaalsContact O-N 3.17Å; V31-W34 WeakPolarHBondContact O-CB 3.43Å; V31-W34 PolarHBondContact O-N 3.03Å; A32-W34 VanDerWaalsContact C-N 3.29Å; A32-W34 PolarHBondContact O-N 3.31Å; W34-L36 PolarHBondContact O-N 3.46Å; W34-P37 WeakPolarHBondContact O-CD 3.47Å; W34-I38 HydrophobicContact CB-CD1 4.49Å; W34-I38 WeakPolarHBondContact O-CB 3.46Å; W34-I38 VanDerWaalsContact O-CG1 3.24Å; W34-I38 WeakPolarHBondContact O-CG1 3.48Å; W34-I38 PolarHBondContact O-N 2.94Å
35	G	66.3	Low	65.4	Low	43 Å²	43	70.8 Å²	70.8	44%	0.443	39%	0.389	S	S	.	.	H	α-helix	trans	-56.1	-34.9	169.4	0	0	0	0	0	113	A32 N33 A39	A32-G35 PolarHBondContact O-N 3.33Å; N33-G35 PolarHBondContact O-N 3.43Å; N33-G35 VanDerWaalsContact O-N 3.14Å; G35-A39 WeakPolarHBondContact O-CB 3.45Å; G35-A39 PolarHBondContact O-N 3.05Å
36	L	67.9	Low	65.6	Low	77 Å²	77	70.2 Å²	70.2	40%	0.403	38%	0.376	S	S	.	.	H	α-helix	trans	-70.1	-52.1	179.7	-70.8	171.2	0	0	0	112.7	N33 W34 I38 A39 A40	N33-L36 PolarHBondContact O-N 3.01Å; N33-L36 VanDerWaalsContact O-N 3.12Å; W34-L36 PolarHBondContact O-N 3.46Å; L36-I38 VanDerWaalsContact C-N 3.33Å; L36-I38 PolarHBondContact O-N 3.44Å; L36-A39 PolarHBondContact O-N 3.26Å; L36-A40 WeakPolarHBondContact O-CB 3.31Å; L36-A40 PolarHBondContact O-N 3.17Å
37	P	63.7	Low	65.3	Low	0 Å²	0	68 Å²	68	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-56.3	-42.2	170.8	-24.9	28.5	0	0	0	113.7	N33 W34 A40 I41 T86 N87	N33-P37 WeakPolarHBondContact O-CD 3.45Å; W34-P37 WeakPolarHBondContact O-CD 3.47Å; P37-A40 PolarHBondContact O-N 2.87Å; P37-I41 WeakPolarHBondContact O-CB 3.38Å; P37-I41 VanDerWaalsContact O-CG1 3.23Å; P37-I41 WeakPolarHBondContact O-CG1 3.45Å; P37-I41 PolarHBondContact O-N 2.94Å; P37-T86 HydrophobicContact CB-CG2 4.12Å; P37-N87 HydrophobicContact CG-CB 4.26Å
38	I	70.6	Confident	65	Low	102 Å²	102	67.4 Å²	67.4	52%	0.523	37%	0.373	S	S	.	.	H	α-helix	trans	-65.9	-42.7	179.7	-68.1	169.9	0	0	0	110.5	W34 L36 I41 N42	W34-I38 HydrophobicContact CB-CD1 4.49Å; W34-I38 WeakPolarHBondContact O-CB 3.46Å; W34-I38 VanDerWaalsContact O-CG1 3.24Å; W34-I38 WeakPolarHBondContact O-CG1 3.48Å; W34-I38 PolarHBondContact O-N 2.94Å; L36-I38 VanDerWaalsContact C-N 3.33Å; L36-I38 PolarHBondContact O-N 3.44Å; I38-I41 PolarHBondContact O-N 2.9Å; I38-N42 WeakPolarHBondContact O-CB 3.44Å; I38-N42 PolarHBondContact O-N 3.47Å
39	A	69.3	Low	64.6	Low	48 Å²	48	66.9 Å²	66.9	40%	0.397	38%	0.376	S	S	.	.	H	α-helix	trans	-62.3	-43.7	174.1	0	0	0	0	0	111.5	G35 L36 I41 N42 D43	G35-A39 WeakPolarHBondContact O-CB 3.45Å; G35-A39 PolarHBondContact O-N 3.05Å; L36-A39 PolarHBondContact O-N 3.26Å; A39-I41 VanDerWaalsContact C-N 3.35Å; A39-I41 PolarHBondContact O-N 3.38Å; A39-N42 PolarHBondContact O-N 3.06Å; A39-D43 WeakPolarHBondContact O-CB 3.32Å; A39-D43 PolarHBondContact O-N 2.74Å
40	A	66.1	Low	64.3	Low	6 Å²	6	70.8 Å²	70.8	5%	0.05	39%	0.386	C	S	.	.	H	α-helix	trans	-61.5	-41.7	176.2	0	0	0	0	0	111.9	L36 P37 D43 M44 A90 Q94	L36-A40 WeakPolarHBondContact O-CB 3.31Å; L36-A40 PolarHBondContact O-N 3.17Å; P37-A40 PolarHBondContact O-N 2.87Å; A40-D43 PolarHBondContact O-N 2.98Å; A40-M44 WeakPolarHBondContact O-CG 3.44Å; A40-M44 PolarHBondContact O-N 3.3Å; A40-A90 HydrophobicContact CB-CB 3.92Å; A40-Q94 PolarHBondContact O-NE2 3.44Å
41	I	67.4	Low	64.3	Low	81 Å²	81	71.6 Å²	71.6	42%	0.415	39%	0.389	S	S	.	.	H	α-helix	trans	-64.6	-41.6	175.2	-69.5	164.2	0	0	0	111	P37 I38 A39 M44	P37-I41 WeakPolarHBondContact O-CB 3.38Å; P37-I41 VanDerWaalsContact O-CG1 3.23Å; P37-I41 WeakPolarHBondContact O-CG1 3.45Å; P37-I41 PolarHBondContact O-N 2.94Å; I38-I41 PolarHBondContact O-N 2.9Å; A39-I41 VanDerWaalsContact C-N 3.35Å; A39-I41 PolarHBondContact O-N 3.38Å; I41-M44 HydrophobicContact CB-CE 4.03Å; I41-M44 HydrophobicContact CG1-CE 4.02Å; I41-M44 HydrophobicContact CG2-CE 3.81Å; I41-M44 VanDerWaalsContact O-CB 3.31Å; I41-M44 WeakPolarHBondContact O-CB 3.42Å; I41-M44 PolarHBondContact O-N 3.23Å
42	N	70.4	Confident	64.3	Low	95 Å²	95	72.3 Å²	72.3	51%	0.508	40%	0.397	S	S	.	.	H	α-helix	trans	-67.5	-37.7	178.3	-163.3	33.9	0	0	0	112	I38 A39 M44 K45	I38-N42 WeakPolarHBondContact O-CB 3.44Å; I38-N42 PolarHBondContact O-N 3.47Å; A39-N42 PolarHBondContact O-N 3.06Å; N42-M44 PolarHBondContact O-N 3.13Å; N42-K45 WeakPolarHBondContact O-CB 3.26Å; N42-K45 PolarHBondContact O-N 3.31Å
43	D	66.9	Low	64.6	Low	64 Å²	64	70 Å²	70	34%	0.342	38%	0.381	S	S	.	.	H	α-helix	trans	-67.6	-18	175.9	-90.1	1.5	0	0	0	112.9	A39 A40 K45 K46	A39-D43 WeakPolarHBondContact O-CB 3.32Å; A39-D43 PolarHBondContact O-N 2.74Å; A40-D43 PolarHBondContact O-N 2.98Å; D43-K45 PolarHBondContact O-N 3.35Å; D43-K45 VanDerWaalsContact O-N 3.11Å; D43-K46 PolarHBondContact O-N 2.97Å; D43-K46 WeakPolarHBondContact OD1-CD 3.23Å; D43-K46 WeakPolarHBondContact OD1-CE 3.39Å; D43-K46 IonicContact OD1-NZ 2.75Å; D43-K46 PolarHBondContact OD1-NZ 3.11Å
44	M	63.5	Low	64.9	Low	55 Å²	55	78.4 Å²	78.4	27%	0.271	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.6	168.6	-60.4	-165.2	-73.2	0	0	112.8	A40 I41 N42 I93 Q94 R97	A40-M44 WeakPolarHBondContact O-CG 3.44Å; A40-M44 PolarHBondContact O-N 3.3Å; I41-M44 HydrophobicContact CB-CE 4.03Å; I41-M44 HydrophobicContact CG1-CE 4.02Å; I41-M44 HydrophobicContact CG2-CE 3.81Å; I41-M44 VanDerWaalsContact O-CB 3.31Å; I41-M44 WeakPolarHBondContact O-CB 3.42Å; I41-M44 PolarHBondContact O-N 3.23Å; N42-M44 PolarHBondContact O-N 3.13Å; M44-I93 HydrophobicContact SD-CG2 4.11Å; M44-Q94 HydrophobicContact CG-CG 4.1Å; M44-R97 PolarHBondContact O-NH1 2.8Å
45	K	62.5	Low	65.4	Low	183 Å²	183	79.8 Å²	79.8	80%	0.796	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-11	176	-63.3	-175.8	178.9	179.1	0	113.6	N42 D43	N42-K45 WeakPolarHBondContact O-CB 3.26Å; N42-K45 PolarHBondContact O-N 3.31Å; D43-K45 PolarHBondContact O-N 3.35Å; D43-K45 VanDerWaalsContact O-N 3.11Å
46	K	63.4	Low	65.9	Low	107 Å²	107	78.3 Å²	78.3	47%	0.465	40%	0.404	S	S	.	.	S	Bend	trans	-86.2	161.5	-178.2	-68.4	-176.8	-174.9	156.3	0	112	D43 I50	D43-K46 PolarHBondContact O-N 2.97Å; D43-K46 WeakPolarHBondContact OD1-CD 3.23Å; D43-K46 WeakPolarHBondContact OD1-CE 3.39Å; D43-K46 IonicContact OD1-NZ 2.75Å; D43-K46 PolarHBondContact OD1-NZ 3.11Å; K46-I50 HydrophobicContact CB-CD1 4.47Å
47	S	53.8	Low	66.4	Low	57 Å²	57	81.7 Å²	81.7	40%	0.399	42%	0.415	S	S	.	.			trans	-60.2	133.1	179.6	-174	0	0	0	0	110.5	E49 I50	S47-E49 PolarHBondContact O-N 3.31Å; S47-E49 VanDerWaalsContact O-N 3.13Å; S47-I50 WeakPolarHBondContact O-CG1 3.31Å; S47-I50 PolarHBondContact O-N 3.14Å
48	P	58.1	Low	67.3	Low	27 Å²	27	84.5 Å²	84.5	18%	0.175	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-62.4	-17.2	-178.4	24.6	-33.5	0	0	0	114	I50 I51 H101	P48-I50 PolarHBondContact O-N 3.24Å; P48-I51 HydrophobicContact CB-CD1 4.43Å; P48-I51 WeakPolarHBondContact O-CB 3.43Å; P48-I51 PolarHBondContact O-N 3.44Å; P48-H101 HydrophobicContact CB-CB 4.28Å; P48-H101 HydrophobicContact CG-CB 4.44Å
49	E	55.6	Low	67.8	Low	136 Å²	136	81.1 Å²	81.1	64%	0.636	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-65.2	-22	175.1	-69.1	-170.8	143.7	0	0	114.1	S47 I51 H101	S47-E49 PolarHBondContact O-N 3.31Å; S47-E49 VanDerWaalsContact O-N 3.13Å; E49-I51 VanDerWaalsContact C-N 3.33Å; E49-H101 VanDerWaalsContact CG-CE1 3.44Å; E49-H101 WeakPolarHBondContact CG-CE1 3.49Å; E49-H101 IonicContact OE1-CE1 3.91Å
50	I	60.3	Low	68.4	Low	126 Å²	126	79.5 Å²	79.5	65%	0.646	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-88.3	-9.9	-178.5	-36.1	170.5	0	0	0	110.6	K46 S47 P48 S52	K46-I50 HydrophobicContact CB-CD1 4.47Å; S47-I50 WeakPolarHBondContact O-CG1 3.31Å; S47-I50 PolarHBondContact O-N 3.14Å; P48-I50 PolarHBondContact O-N 3.24Å; I50-S52 PolarHBondContact O-N 3.1Å
51	I	63	Low	69.3	Low	23 Å²	23	81.9 Å²	81.9	12%	0.118	42%	0.422	C	S	.	.			trans	-81	112.9	-175.3	-57.6	179.2	0	0	0	109.4	P48 E49 G53 Q94 L98	P48-I51 HydrophobicContact CB-CD1 4.43Å; P48-I51 WeakPolarHBondContact O-CB 3.43Å; P48-I51 PolarHBondContact O-N 3.44Å; E49-I51 VanDerWaalsContact C-N 3.33Å; I51-G53 PolarHBondContact O-N 2.88Å; I51-Q94 HydrophobicContact CD1-CB 4.35Å; I51-Q94 HydrophobicContact CD1-CG 4.47Å; I51-L98 HydrophobicContact CB-CD1 4.49Å; I51-L98 HydrophobicContact CG2-CD2 4.4Å
52	S	67.9	Low	70.1	Confident	66 Å²	66	82.4 Å²	82.4	46%	0.462	42%	0.42	S	S	.	.			trans	-78.8	107.6	174.8	-179.7	0	0	0	0	111	I50 R54 M55 T56	I50-S52 PolarHBondContact O-N 3.1Å; S52-R54 PolarHBondContact O-N 3.28Å; S52-M55 WeakPolarHBondContact O-CB 3.38Å; S52-M55 PolarHBondContact O-N 3.43Å; S52-T56 PolarHBondContact O-N 2.9Å; S52-T56 PolarHBondContact O-OG1 3.44Å
53	G	68	Low	70.7	Confident	34 Å²	34	77.9 Å²	77.9	35%	0.351	40%	0.396	S	S	.	.	H	α-helix	trans	-57.8	-33.7	179.2	0	0	0	0	0	114.1	I51 M55 T56 F57	I51-G53 PolarHBondContact O-N 2.88Å; G53-M55 VanDerWaalsContact C-N 3.33Å; G53-M55 PolarHBondContact O-N 3.35Å; G53-T56 PolarHBondContact O-N 2.86Å; G53-F57 PolarHBondContact O-N 3.26Å
54	R	73.6	Confident	71.6	Confident	222 Å²	222	79.3 Å²	79.3	84%	0.838	40%	0.403	S	S	*	.	H	α-helix	trans	-63.3	-38.2	173.9	-77.1	174.4	47.2	-176.5	-7.4	112.4	S52 A58	S52-R54 PolarHBondContact O-N 3.28Å; R54-A58 WeakPolarHBondContact O-CB 3.22Å; R54-A58 PolarHBondContact O-N 3.43Å; R54-A58 VanDerWaalsContact O-N 3.13Å
55	M	76.3	Confident	72.7	Confident	124 Å²	124	81.2 Å²	81.2	61%	0.611	42%	0.417	S	S	*	.	H	α-helix	trans	-72.2	-43.2	178.7	-174.7	174	178.1	0	0	111	S52 G53 F57 A58 L59	S52-M55 WeakPolarHBondContact O-CB 3.38Å; S52-M55 PolarHBondContact O-N 3.43Å; G53-M55 VanDerWaalsContact C-N 3.33Å; G53-M55 PolarHBondContact O-N 3.35Å; M55-F57 VanDerWaalsContact C-N 3.35Å; M55-F57 PolarHBondContact O-N 3.03Å; M55-A58 PolarHBondContact O-N 2.9Å; M55-L59 HydrophobicContact CE-CD1 4.05Å; M55-L59 HydrophobicContact CG-CD1 3.81Å; M55-L59 WeakPolarHBondContact O-CB 3.48Å; M55-L59 PolarHBondContact O-N 3.01Å
56	T	76.8	Confident	73.6	Confident	12 Å²	12	75.6 Å²	75.6	7%	0.074	39%	0.393	C	S	.	.	H	α-helix	trans	-57.9	-45.9	175	-62.3	0	0	0	0	111.7	S52 G53 L59 C60 Q91	S52-T56 PolarHBondContact O-N 2.9Å; S52-T56 PolarHBondContact O-OG1 3.44Å; G53-T56 PolarHBondContact O-N 2.86Å; T56-L59 PolarHBondContact O-N 3.37Å; T56-C60 PolarHBondContact O-N 2.92Å; T56-Q91 HydrophobicContact CG2-CB 4.17Å; T56-Q91 VanDerWaalsContact CG2-O 3.26Å; T56-Q91 WeakPolarHBondContact CG2-O 3.17Å; T56-Q91 PolarHBondContact OG1-OE1 2.92Å
57	F	78.1	Confident	74.6	Confident	148 Å²	148	71.7 Å²	71.7	65%	0.649	38%	0.377	S	S	*	.	H	α-helix	trans	-63	-44.3	176.9	-176.6	-103.2	0	0	0	112.5	G53 M55 L59 C60 C61	G53-F57 PolarHBondContact O-N 3.26Å; M55-F57 VanDerWaalsContact C-N 3.35Å; M55-F57 PolarHBondContact O-N 3.03Å; F57-L59 VanDerWaalsContact C-N 3.32Å; F57-L59 PolarHBondContact O-N 3.11Å; F57-C60 PolarHBondContact O-N 3.44Å; F57-C61 PolarHBondContact O-N 3.46Å; F57-C61 VanDerWaalsContact O-N 3.08Å
58	A	82.3	Confident	76.1	Confident	58 Å²	58	77.8 Å²	77.8	48%	0.479	39%	0.391	S	S	.	.	H	α-helix	trans	-61.3	-40.2	176.3	0	0	0	0	0	112.2	R54 M55 C61 Y62	R54-A58 WeakPolarHBondContact O-CB 3.22Å; R54-A58 PolarHBondContact O-N 3.43Å; R54-A58 VanDerWaalsContact O-N 3.13Å; M55-A58 PolarHBondContact O-N 2.9Å; A58-C61 PolarHBondContact O-N 2.9Å; A58-Y62 VanDerWaalsContact O-CB 3.31Å; A58-Y62 WeakPolarHBondContact O-CB 3.5Å; A58-Y62 PolarHBondContact O-N 2.78Å
59	L	79.9	Confident	77.3	Confident	32 Å²	32	82.1 Å²	82.1	17%	0.168	41%	0.407	C	S	.	.	H	α-helix	trans	-67.6	-34.5	177.3	-86.1	154.1	0	0	0	113	M55 T56 F57 S63 Q91	M55-L59 HydrophobicContact CE-CD1 4.05Å; M55-L59 HydrophobicContact CG-CD1 3.81Å; M55-L59 WeakPolarHBondContact O-CB 3.48Å; M55-L59 PolarHBondContact O-N 3.01Å; T56-L59 PolarHBondContact O-N 3.37Å; F57-L59 VanDerWaalsContact C-N 3.32Å; F57-L59 PolarHBondContact O-N 3.11Å; L59-S63 WeakPolarHBondContact O-CB 3.4Å; L59-S63 PolarHBondContact O-N 3.18Å; L59-S63 PolarHBondContact O-OG 2.66Å; L59-Q91 HydrophobicContact CB-CG 4.03Å
60	C	83.1	Confident	78.5	Confident	13 Å²	13	75.7 Å²	75.7	9%	0.088	38%	0.377	C	S	.	.	H	α-helix	trans	-63.1	-53.3	171.2	-88.4	0	0	0	0	111.5	T56 F57 Y62 S63 L64 E88	T56-C60 PolarHBondContact O-N 2.92Å; F57-C60 PolarHBondContact O-N 3.44Å; C60-Y62 VanDerWaalsContact C-N 3.28Å; C60-Y62 PolarHBondContact O-N 2.85Å; C60-S63 PolarHBondContact O-N 3.16Å; C60-S63 VanDerWaalsContact O-N 3.08Å; C60-L64 WeakPolarHBondContact O-CG 3.27Å; C60-L64 PolarHBondContact O-N 3.39Å; C60-E88 WeakPolarHBondContact CA-OE2 3.17Å; C60-E88 VanDerWaalsContact O-OE2 3.12Å; C60-E88 PolarHBondContact SG-OE1 2.91Å
61	C	84.7	Confident	79.4	Confident	56 Å²	56	75.8 Å²	75.8	38%	0.378	37%	0.371	S	S	.	.	H	α-helix	trans	-57.7	-40.9	177.8	-70.1	0	0	0	0	112.6	F57 A58 T65	F57-C61 PolarHBondContact O-N 3.46Å; F57-C61 VanDerWaalsContact O-N 3.08Å; A58-C61 PolarHBondContact O-N 2.9Å; C61-T65 PolarHBondContact O-N 2.94Å; C61-T65 PolarHBondContact O-OG1 3.49Å
62	Y	83.6	Confident	80.4	Confident	93 Å²	93	82 Å²	82	37%	0.365	40%	0.397	S	S	.	.	H	α-helix	trans	-60.8	-49.2	174	175.6	-100	0	0	0	111.6	A58 C60 L64 T65 F66 H84	A58-Y62 VanDerWaalsContact O-CB 3.31Å; A58-Y62 WeakPolarHBondContact O-CB 3.5Å; A58-Y62 PolarHBondContact O-N 2.78Å; C60-Y62 VanDerWaalsContact C-N 3.28Å; C60-Y62 PolarHBondContact O-N 2.85Å; Y62-L64 PolarHBondContact O-N 3.36Å; Y62-T65 PolarHBondContact O-N 3.38Å; Y62-F66 HydrophobicContact CD1-CD2 4.44Å; Y62-F66 AromaticContact CD2-CD2 3.89Å; Y62-F66 HydrophobicContact CD2-CD2 3.89Å; Y62-F66 AromaticContact CD2-CE2 3.73Å; Y62-F66 HydrophobicContact CD2-CE2 3.73Å; Y62-F66 HydrophobicContact CE1-CD2 4.15Å; Y62-F66 HydrophobicContact CE1-CE2 4.33Å; Y62-F66 AromaticContact CE2-CD2 3.56Å; Y62-F66 HydrophobicContact CE2-CD2 3.56Å; Y62-F66 AromaticContact CE2-CE2 3.06Å; Y62-F66 HydrophobicContact CE2-CE2 3.06Å; Y62-F66 AromaticContact CE2-CZ 3.79Å; Y62-F66 HydrophobicContact CE2-CZ 3.79Å; Y62-F66 HydrophobicContact CG-CD2 4.32Å; Y62-F66 AromaticContact CZ-CD2 3.67Å; Y62-F66 AromaticContact CZ-CE2 3.41Å; Y62-F66 VanDerWaalsContact CZ-CE2 3.41Å; Y62-F66 AromaticContact CZ-CZ 3.82Å; Y62-F66 WeakPolarHBondContact O-CD2 3.38Å; Y62-F66 PolarHBondContact O-N 3.17Å; Y62-F66 WeakPolarHBondContact OH-CZ 3.19Å; Y62-H84 AromaticContact CE1-CE1 3.67Å
63	S	83.4	Confident	81	Confident	0 Å²	0	81 Å²	81	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-63.7	-41.2	-178.4	-59.1	0	0	0	0	112	L59 C60 T65 F66 M67 N87 E88	L59-S63 WeakPolarHBondContact O-CB 3.4Å; L59-S63 PolarHBondContact O-N 3.18Å; L59-S63 PolarHBondContact O-OG 2.66Å; C60-S63 PolarHBondContact O-N 3.16Å; C60-S63 VanDerWaalsContact O-N 3.08Å; S63-T65 PolarHBondContact O-N 3.31Å; S63-F66 PolarHBondContact O-N 2.99Å; S63-M67 WeakPolarHBondContact O-CB 3.33Å; S63-M67 WeakPolarHBondContact O-CG 3.39Å; S63-M67 PolarHBondContact O-N 3.39Å; S63-N87 PolarHBondContact OG-ND2 3.36Å; S63-E88 WeakPolarHBondContact CB-OE2 3.4Å
64	L	86.4	Confident	81.4	Confident	93 Å²	93	86.8 Å²	86.8	49%	0.487	41%	0.406	S	S	.	.	H	α-helix	trans	-60.6	-43.1	175.1	-70.8	165.5	0	0	0	112.7	C60 Y62 M67 R68	C60-L64 WeakPolarHBondContact O-CG 3.27Å; C60-L64 PolarHBondContact O-N 3.39Å; Y62-L64 PolarHBondContact O-N 3.36Å; L64-M67 HydrophobicContact CB-CE 4.43Å; L64-M67 HydrophobicContact CD2-CE 3.5Å; L64-M67 HydrophobicContact CG-CE 4.09Å; L64-M67 PolarHBondContact O-N 3Å; L64-R68 PolarHBondContact O-N 2.99Å; L64-R68 VanDerWaalsContact O-N 3.12Å
65	T	86.1	Confident	81.5	Confident	95 Å²	95	80.9 Å²	80.9	58%	0.583	40%	0.396	S	S	*	.	H	α-helix	trans	-63.5	-44.5	178.5	-56.4	0	0	0	0	110.9	C61 Y62 S63 R68 F69	C61-T65 PolarHBondContact O-N 2.94Å; C61-T65 PolarHBondContact O-OG1 3.49Å; Y62-T65 PolarHBondContact O-N 3.38Å; S63-T65 PolarHBondContact O-N 3.31Å; T65-R68 PolarHBondContact O-N 3.33Å; T65-F69 PolarHBondContact O-N 3.34Å
66	F	82.1	Confident	81.5	Confident	65 Å²	65	80.7 Å²	80.7	29%	0.285	39%	0.389	S	S	.	.	H	α-helix	trans	-70.5	-33.1	178.5	-89.6	-100.5	0	0	0	113.4	Y62 S63 F69 A70 H84	Y62-F66 HydrophobicContact CD1-CD2 4.44Å; Y62-F66 AromaticContact CD2-CD2 3.89Å; Y62-F66 HydrophobicContact CD2-CD2 3.89Å; Y62-F66 AromaticContact CD2-CE2 3.73Å; Y62-F66 HydrophobicContact CD2-CE2 3.73Å; Y62-F66 HydrophobicContact CE1-CD2 4.15Å; Y62-F66 HydrophobicContact CE1-CE2 4.33Å; Y62-F66 AromaticContact CE2-CD2 3.56Å; Y62-F66 HydrophobicContact CE2-CD2 3.56Å; Y62-F66 AromaticContact CE2-CE2 3.06Å; Y62-F66 HydrophobicContact CE2-CE2 3.06Å; Y62-F66 AromaticContact CE2-CZ 3.79Å; Y62-F66 HydrophobicContact CE2-CZ 3.79Å; Y62-F66 HydrophobicContact CG-CD2 4.32Å; Y62-F66 AromaticContact CZ-CD2 3.67Å; Y62-F66 AromaticContact CZ-CE2 3.41Å; Y62-F66 VanDerWaalsContact CZ-CE2 3.41Å; Y62-F66 AromaticContact CZ-CZ 3.82Å; Y62-F66 WeakPolarHBondContact O-CD2 3.38Å; Y62-F66 PolarHBondContact O-N 3.17Å; Y62-F66 WeakPolarHBondContact OH-CZ 3.19Å; S63-F66 PolarHBondContact O-N 2.99Å; F66-F69 PolarHBondContact O-N 3.09Å; F66-A70 VanDerWaalsContact O-CB 3.31Å; F66-A70 WeakPolarHBondContact O-CB 3.24Å; F66-A70 PolarHBondContact O-N 3.45Å; F66-H84 VanDerWaalsContact CB-CD2 3.46Å; F66-H84 WeakPolarHBondContact CB-CD2 3.4Å; F66-H84 WeakPolarHBondContact CB-NE2 3.45Å; F66-H84 AromaticContact CD1-CE1 3.96Å; F66-H84 AromaticContact CD1-NE2 3.47Å; F66-H84 WeakPolarHBondContact CD1-NE2 3.19Å; F66-H84 AromaticContact CG-CE1 3.75Å; F66-H84 AromaticContact CG-NE2 3.62Å
67	M	82.6	Confident	81.5	Confident	25 Å²	25	81 Å²	81	12%	0.123	39%	0.39	C	S	.	.	H	α-helix	trans	-61.6	-43.5	171.7	-77.3	-171.6	-67.6	0	0	111.6	S63 L64 A70 Y71 F81 H84 A85 E88	S63-M67 WeakPolarHBondContact O-CB 3.33Å; S63-M67 WeakPolarHBondContact O-CG 3.39Å; S63-M67 PolarHBondContact O-N 3.39Å; L64-M67 HydrophobicContact CB-CE 4.43Å; L64-M67 HydrophobicContact CD2-CE 3.5Å; L64-M67 HydrophobicContact CG-CE 4.09Å; L64-M67 PolarHBondContact O-N 3Å; M67-A70 PolarHBondContact O-N 2.78Å; M67-Y71 PolarHBondContact O-N 3.05Å; M67-Y71 VanDerWaalsContact O-N 3.14Å; M67-F81 HydrophobicContact CB-CD2 3.95Å; M67-F81 HydrophobicContact CB-CE2 3.91Å; M67-F81 HydrophobicContact CG-CD2 4.09Å; M67-F81 HydrophobicContact CG-CE2 4.13Å; M67-F81 HydrophobicContact SD-CE2 4.33Å; M67-H84 HydrophobicContact CG-CB 3.61Å; M67-A85 VanDerWaalsContact SD-CA 3.58Å; M67-A85 HydrophobicContact SD-CB 3.86Å; M67-E88 HydrophobicContact CE-CB 4.23Å; M67-E88 HydrophobicContact CE-CG 4.22Å
68	R	85.3	Confident	81.4	Confident	185 Å²	185	80.7 Å²	80.7	70%	0.698	39%	0.385	S	S	*	.	H	α-helix	trans	-63	-42.6	174.8	-177	-179.2	174.7	95.6	-4.6	111.7	L64 T65 Y71 K72	L64-R68 PolarHBondContact O-N 2.99Å; L64-R68 VanDerWaalsContact O-N 3.12Å; T65-R68 PolarHBondContact O-N 3.33Å; R68-Y71 PolarHBondContact O-N 3.41Å; R68-K72 WeakPolarHBondContact O-CB 3.41Å; R68-K72 WeakPolarHBondContact O-CG 3.24Å; R68-K72 PolarHBondContact O-N 3.09Å; R68-K72 VanDerWaalsContact O-N 3.07Å
69	F	83.9	Confident	81	Confident	118 Å²	118	79.9 Å²	79.9	52%	0.518	37%	0.372	S	S	.	.	H	α-helix	trans	-61.8	-48.6	176.5	174.9	-103	0	0	0	111.9	T65 F66 Y71 K72 V73 L80	T65-F69 PolarHBondContact O-N 3.34Å; F66-F69 PolarHBondContact O-N 3.09Å; F69-Y71 PolarHBondContact O-N 2.86Å; F69-K72 PolarHBondContact O-N 3.32Å; F69-K72 VanDerWaalsContact O-N 3.11Å; F69-V73 HydrophobicContact CE2-CG2 4.48Å; F69-V73 HydrophobicContact CZ-CB 4.38Å; F69-V73 HydrophobicContact CZ-CG2 4.19Å; F69-V73 PolarHBondContact O-N 3.32Å; F69-L80 HydrophobicContact CD1-CD2 4.2Å; F69-L80 HydrophobicContact CE1-CD2 4.42Å
70	A	81.3	Confident	80.8	Confident	1 Å²	1	79.1 Å²	79.1	1%	0.008	37%	0.368	C	S	.	.	H	α-helix	trans	-59.2	-33.5	179.4	0	0	0	0	0	113	F66 M67 N77 L80 F81	F66-A70 VanDerWaalsContact O-CB 3.31Å; F66-A70 WeakPolarHBondContact O-CB 3.24Å; F66-A70 PolarHBondContact O-N 3.45Å; M67-A70 PolarHBondContact O-N 2.78Å; A70-N77 PolarHBondContact O-N 3.41Å; A70-L80 HydrophobicContact CB-CB 4.06Å; A70-L80 HydrophobicContact CB-CD2 4.03Å; A70-L80 HydrophobicContact CB-CG 4.11Å; A70-F81 HydrophobicContact CB-CB 3.94Å
71	Y	78.8	Confident	80.7	Confident	129 Å²	129	82 Å²	82	51%	0.506	38%	0.379	S	S	.	.	H	α-helix	trans	-76	-37	175.8	-175.6	-95.6	0	0	0	113.3	M67 R68 F69	M67-Y71 PolarHBondContact O-N 3.05Å; M67-Y71 VanDerWaalsContact O-N 3.14Å; R68-Y71 PolarHBondContact O-N 3.41Å; F69-Y71 PolarHBondContact O-N 2.86Å
72	K	84.6	Confident	80.6	Confident	153 Å²	153	81.3 Å²	81.3	67%	0.665	38%	0.377	S	S	*	.	H	α-helix	trans	-83.1	-28.7	-176.3	-76.1	-69.1	-116.9	178.3	0	113.8	R68 F69	R68-K72 WeakPolarHBondContact O-CB 3.41Å; R68-K72 WeakPolarHBondContact O-CG 3.24Å; R68-K72 PolarHBondContact O-N 3.09Å; R68-K72 VanDerWaalsContact O-N 3.07Å; F69-K72 PolarHBondContact O-N 3.32Å; F69-K72 VanDerWaalsContact O-N 3.11Å
73	V	80.1	Confident	80.5	Confident	46 Å²	46	77 Å²	77	28%	0.279	36%	0.361	S	S	.	.	S	Bend	trans	-68.2	136.6	179.9	81.5	0	0	0	0	110.5	F69 P75 R76 N77	F69-V73 HydrophobicContact CE2-CG2 4.48Å; F69-V73 HydrophobicContact CZ-CB 4.38Å; F69-V73 HydrophobicContact CZ-CG2 4.19Å; F69-V73 PolarHBondContact O-N 3.32Å; V73-P75 CarbonylContact O-C 3.41Å; V73-R76 VanDerWaalsContact O-CA 3.26Å; V73-R76 WeakPolarHBondContact O-CA 3.43Å; V73-R76 PolarHBondContact O-N 2.87Å; V73-N77 HydrophobicContact CG1-CB 4.26Å
74	Q	76.3	Confident	80.4	Confident	155 Å²	155	77.1 Å²	77.1	72%	0.724	36%	0.361	S	S	*	.	S	Bend	trans	-112.5	133.7	172.3	-82.3	-151.7	-11.2	0	0	111
75	P	75.6	Confident	80.3	Confident	98 Å²	98	74.1 Å²	74.1	64%	0.636	35%	0.35	S	S	*	.	S	Bend	cis	-66.4	145.5	-5.1	28	-34.3	0	0	0	112.6	V73 N77	V73-P75 CarbonylContact O-C 3.41Å; P75-N77 PolarHBondContact O-N 2.92Å
76	R	76.1	Confident	80.1	Confident	119 Å²	119	71.9 Å²	71.9	45%	0.449	34%	0.336	S	S	.	.			trans	-61.1	129.1	-172.8	-69.4	178.3	-178.7	115.8	-3	111.7	V73 W78	V73-R76 VanDerWaalsContact O-CA 3.26Å; V73-R76 WeakPolarHBondContact O-CA 3.43Å; V73-R76 PolarHBondContact O-N 2.87Å; R76-W78 PolarHBondContact O-N 3.2Å
77	N	77.5	Confident	80.1	Confident	19 Å²	19	69 Å²	69	10%	0.102	32%	0.324	C	S	.	.			trans	-98.2	80.2	-178.2	-165.9	-22	0	0	0	111.5	A70 V73 P75 L79 L80 F81	A70-N77 PolarHBondContact O-N 3.41Å; V73-N77 HydrophobicContact CG1-CB 4.26Å; P75-N77 PolarHBondContact O-N 2.92Å; N77-L79 VanDerWaalsContact C-N 3.26Å; N77-L79 PolarHBondContact O-N 3.21Å; N77-L79 PolarHBondContact OD1-N 3.4Å; N77-L80 HydrophobicContact CB-CB 4.14Å; N77-L80 PolarHBondContact O-N 3.45Å; N77-L80 PolarHBondContact OD1-N 3.36Å; N77-L80 VanDerWaalsContact OD1-N 3.09Å; N77-F81 PolarHBondContact O-N 3.11Å
78	W	76.8	Confident	80.1	Confident	141 Å²	141	69 Å²	69	53%	0.534	32%	0.323	S	S	.	.	H	α-helix	trans	-63.6	-27.5	-179.1	-63.5	105.6	0	0	0	114	R76 F81 A82	R76-W78 PolarHBondContact O-N 3.2Å; W78-F81 PolarHBondContact O-N 3.04Å; W78-A82 WeakPolarHBondContact O-CB 3.42Å; W78-A82 PolarHBondContact O-N 3.26Å
79	L	73.8	Confident	80.1	Confident	41 Å²	41	64.2 Å²	64.2	22%	0.215	32%	0.315	C	S	.	.	H	α-helix	trans	-70.5	-43	177.4	-84.1	160.2	0	0	0	111.9	Y21 F27 P30 N77 F81 A82 C83	Y21-L79 HydrophobicContact CE1-CD1 4.15Å; F27-L79 HydrophobicContact CD2-CD1 3.48Å; F27-L79 VanDerWaalsContact CD2-CD1 3.48Å; F27-L79 HydrophobicContact CE2-CD1 4.08Å; F27-L79 HydrophobicContact CG-CD1 4.37Å; P30-L79 HydrophobicContact CB-CB 3.78Å; P30-L79 HydrophobicContact CG-CB 4.14Å; N77-L79 VanDerWaalsContact C-N 3.26Å; N77-L79 PolarHBondContact O-N 3.21Å; N77-L79 PolarHBondContact OD1-N 3.4Å; L79-F81 VanDerWaalsContact C-N 3.31Å; L79-A82 PolarHBondContact O-N 3.05Å; L79-C83 WeakPolarHBondContact O-CB 3.14Å; L79-C83 PolarHBondContact O-N 3.42Å
80	L	75.1	Confident	79.9	Confident	17 Å²	17	58.9 Å²	58.9	9%	0.089	29%	0.292	C	S	.	.	H	α-helix	trans	-62.4	-43	174	-172.4	65	0	0	0	110.5	P30 F69 A70 N77 C83 H84	P30-L80 HydrophobicContact CB-CB 4.43Å; P30-L80 HydrophobicContact CG-CB 4.1Å; F69-L80 HydrophobicContact CD1-CD2 4.2Å; F69-L80 HydrophobicContact CE1-CD2 4.42Å; A70-L80 HydrophobicContact CB-CB 4.06Å; A70-L80 HydrophobicContact CB-CD2 4.03Å; A70-L80 HydrophobicContact CB-CG 4.11Å; N77-L80 HydrophobicContact CB-CB 4.14Å; N77-L80 PolarHBondContact O-N 3.45Å; N77-L80 PolarHBondContact OD1-N 3.36Å; N77-L80 VanDerWaalsContact OD1-N 3.09Å; L80-C83 PolarHBondContact O-N 3.24Å; L80-H84 WeakPolarHBondContact CD1-NE2 3.31Å; L80-H84 PolarHBondContact O-CD2 3.3Å; L80-H84 PolarHBondContact O-N 2.83Å; L80-H84 VanDerWaalsContact O-N 3.09Å
81	F	81.9	Confident	79.8	Confident	74 Å²	74	59.4 Å²	59.4	33%	0.325	29%	0.294	S	S	.	.	H	α-helix	trans	-58.4	-50.1	175.2	-177.9	-91.6	0	0	0	112	M67 A70 N77 W78 L79 C83 H84 A85	M67-F81 HydrophobicContact CB-CD2 3.95Å; M67-F81 HydrophobicContact CB-CE2 3.91Å; M67-F81 HydrophobicContact CG-CD2 4.09Å; M67-F81 HydrophobicContact CG-CE2 4.13Å; M67-F81 HydrophobicContact SD-CE2 4.33Å; A70-F81 HydrophobicContact CB-CB 3.94Å; N77-F81 PolarHBondContact O-N 3.11Å; W78-F81 PolarHBondContact O-N 3.04Å; L79-F81 VanDerWaalsContact C-N 3.31Å; F81-C83 VanDerWaalsContact C-N 3.32Å; F81-C83 PolarHBondContact O-N 3.14Å; F81-H84 PolarHBondContact O-N 3.27Å; F81-A85 HydrophobicContact CE1-CB 4.5Å; F81-A85 VanDerWaalsContact O-CB 3.32Å; F81-A85 WeakPolarHBondContact O-CB 3.38Å; F81-A85 PolarHBondContact O-N 2.89Å
82	A	81.1	Confident	79.9	Confident	40 Å²	40	58.2 Å²	58.2	33%	0.331	30%	0.297	S	S	.	.	H	α-helix	trans	-61.9	-38.2	179.5	0	0	0	0	0	112.8	W78 L79 T86	W78-A82 WeakPolarHBondContact O-CB 3.42Å; W78-A82 PolarHBondContact O-N 3.26Å; L79-A82 PolarHBondContact O-N 3.05Å; A82-T86 WeakPolarHBondContact O-CB 3.46Å; A82-T86 PolarHBondContact O-N 3.32Å; A82-T86 PolarHBondContact O-OG1 3.03Å
83	C	81.1	Confident	79.8	Confident	3 Å²	3	55 Å²	55	2%	0.02	29%	0.286	C	S	.	.	H	α-helix	trans	-60.8	-51.4	175.6	-176.9	0	0	0	0	111.4	N33 L79 L80 F81 T86 N87	N33-C83 PolarHBondContact O-SG 3.12Å; L79-C83 WeakPolarHBondContact O-CB 3.14Å; L79-C83 PolarHBondContact O-N 3.42Å; L80-C83 PolarHBondContact O-N 3.24Å; F81-C83 VanDerWaalsContact C-N 3.32Å; F81-C83 PolarHBondContact O-N 3.14Å; C83-T86 PolarHBondContact O-N 3.12Å; C83-N87 PolarHBondContact O-N 3.46Å
84	H	82.4	Confident	79.5	Confident	3 Å²	3	53.2 Å²	53.2	1%	0.014	27%	0.274	C	S	.	.	H	α-helix	trans	-71	-32.9	-179.5	-72	-71.4	0	0	0	113	Y62 F66 M67 L80 F81 T86 N87 E88	Y62-H84 AromaticContact CE1-CE1 3.67Å; F66-H84 VanDerWaalsContact CB-CD2 3.46Å; F66-H84 WeakPolarHBondContact CB-CD2 3.4Å; F66-H84 WeakPolarHBondContact CB-NE2 3.45Å; F66-H84 AromaticContact CD1-CE1 3.96Å; F66-H84 AromaticContact CD1-NE2 3.47Å; F66-H84 WeakPolarHBondContact CD1-NE2 3.19Å; F66-H84 AromaticContact CG-CE1 3.75Å; F66-H84 AromaticContact CG-NE2 3.62Å; M67-H84 HydrophobicContact CG-CB 3.61Å; L80-H84 WeakPolarHBondContact CD1-NE2 3.31Å; L80-H84 PolarHBondContact O-CD2 3.3Å; L80-H84 PolarHBondContact O-N 2.83Å; L80-H84 VanDerWaalsContact O-N 3.09Å; F81-H84 PolarHBondContact O-N 3.27Å; H84-T86 VanDerWaalsContact C-N 3.34Å; H84-N87 PolarHBondContact O-N 3.37Å; H84-E88 WeakPolarHBondContact O-CB 3.38Å; H84-E88 PolarHBondContact O-N 3Å
85	A	84	Confident	79.6	Confident	29 Å²	29	46.6 Å²	46.6	24%	0.24	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-42.6	172.2	0	0	0	0	0	111.6	M67 F81 E88 V89	M67-A85 VanDerWaalsContact SD-CA 3.58Å; M67-A85 HydrophobicContact SD-CB 3.86Å; F81-A85 HydrophobicContact CE1-CB 4.5Å; F81-A85 VanDerWaalsContact O-CB 3.32Å; F81-A85 WeakPolarHBondContact O-CB 3.38Å; F81-A85 PolarHBondContact O-N 2.89Å; A85-E88 PolarHBondContact O-N 2.75Å; A85-V89 WeakPolarHBondContact O-CG2 3.39Å; A85-V89 PolarHBondContact O-N 3.46Å; A85-V89 VanDerWaalsContact O-N 3.1Å
86	T	81.8	Confident	79.8	Confident	49 Å²	49	43.9 Å²	43.9	30%	0.301	24%	0.238	S	C	.	.	H	α-helix	trans	-66.3	-41.4	176.5	-53.6	0	0	0	0	111.3	P37 A82 C83 H84 V89 A90	P37-T86 HydrophobicContact CB-CG2 4.12Å; A82-T86 WeakPolarHBondContact O-CB 3.46Å; A82-T86 PolarHBondContact O-N 3.32Å; A82-T86 PolarHBondContact O-OG1 3.03Å; C83-T86 PolarHBondContact O-N 3.12Å; H84-T86 VanDerWaalsContact C-N 3.34Å; T86-V89 PolarHBondContact O-N 3.48Å; T86-A90 PolarHBondContact O-N 3.17Å
87	N	82.1	Confident	79.8	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-44	175.7	-169.1	58.3	0	0	0	111.8	P37 S63 C83 H84 V89 A90 Q91	P37-N87 HydrophobicContact CG-CB 4.26Å; S63-N87 PolarHBondContact OG-ND2 3.36Å; C83-N87 PolarHBondContact O-N 3.46Å; H84-N87 PolarHBondContact O-N 3.37Å; N87-V89 PolarHBondContact O-N 2.85Å; N87-A90 PolarHBondContact O-N 3.44Å; N87-Q91 WeakPolarHBondContact O-CB 3.37Å; N87-Q91 VanDerWaalsContact O-CG 3.23Å; N87-Q91 WeakPolarHBondContact O-CG 3.22Å; N87-Q91 PolarHBondContact O-N 3.22Å
88	E	83.8	Confident	79.8	Confident	24 Å²	24	43 Å²	43	11%	0.112	23%	0.234	C	C	.	.	H	α-helix	trans	-56.3	-49.1	176	-174.5	66.5	-162.8	0	0	111.3	C60 S63 M67 H84 A85 A90 Q91 L92	C60-E88 WeakPolarHBondContact CA-OE2 3.17Å; C60-E88 VanDerWaalsContact O-OE2 3.12Å; C60-E88 PolarHBondContact SG-OE1 2.91Å; S63-E88 WeakPolarHBondContact CB-OE2 3.4Å; M67-E88 HydrophobicContact CE-CB 4.23Å; M67-E88 HydrophobicContact CE-CG 4.22Å; H84-E88 WeakPolarHBondContact O-CB 3.38Å; H84-E88 PolarHBondContact O-N 3Å; A85-E88 PolarHBondContact O-N 2.75Å; E88-A90 PolarHBondContact O-N 3.42Å; E88-Q91 PolarHBondContact O-N 2.88Å; E88-L92 HydrophobicContact CG-CD1 4.12Å; E88-L92 WeakPolarHBondContact O-CB 3.34Å; E88-L92 VanDerWaalsContact O-CG 3.3Å; E88-L92 WeakPolarHBondContact O-CG 3.44Å; E88-L92 PolarHBondContact O-N 3.3Å
89	V	84.1	Confident	79.8	Confident	86 Å²	86	41.4 Å²	41.4	52%	0.521	24%	0.235	S	C	.	.	H	α-helix	trans	-61.1	-44.5	178.6	172.7	0	0	0	0	111.2	A85 T86 N87 L92 I93	A85-V89 WeakPolarHBondContact O-CG2 3.39Å; A85-V89 PolarHBondContact O-N 3.46Å; A85-V89 VanDerWaalsContact O-N 3.1Å; T86-V89 PolarHBondContact O-N 3.48Å; N87-V89 PolarHBondContact O-N 2.85Å; V89-L92 PolarHBondContact O-N 3.31Å; V89-I93 HydrophobicContact CG1-CD1 3.99Å; V89-I93 VanDerWaalsContact O-CG1 3.3Å; V89-I93 WeakPolarHBondContact O-CG1 3.28Å; V89-I93 PolarHBondContact O-N 3.06Å; V89-I93 VanDerWaalsContact O-N 3.11Å
90	A	80.9	Confident	80.1	Confident	6 Å²	6	46.6 Å²	46.6	5%	0.05	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-42.9	177.8	0	0	0	0	0	112.1	A40 T86 N87 E88 I93 Q94	A40-A90 HydrophobicContact CB-CB 3.92Å; T86-A90 PolarHBondContact O-N 3.17Å; N87-A90 PolarHBondContact O-N 3.44Å; E88-A90 PolarHBondContact O-N 3.42Å; A90-I93 PolarHBondContact O-N 3.5Å; A90-Q94 WeakPolarHBondContact O-CG 3.28Å; A90-Q94 PolarHBondContact O-N 3.46Å
91	Q	78.5	Confident	80.2	Confident	11 Å²	11	48 Å²	48	5%	0.051	26%	0.262	C	S	.	.	H	α-helix	trans	-66.7	-39.8	178.5	-69.3	-65.9	-23.3	0	0	112.1	T56 L59 N87 E88 I93 Q94 G95	T56-Q91 HydrophobicContact CG2-CB 4.17Å; T56-Q91 VanDerWaalsContact CG2-O 3.26Å; T56-Q91 WeakPolarHBondContact CG2-O 3.17Å; T56-Q91 PolarHBondContact OG1-OE1 2.92Å; L59-Q91 HydrophobicContact CB-CG 4.03Å; N87-Q91 WeakPolarHBondContact O-CB 3.37Å; N87-Q91 VanDerWaalsContact O-CG 3.23Å; N87-Q91 WeakPolarHBondContact O-CG 3.22Å; N87-Q91 PolarHBondContact O-N 3.22Å; E88-Q91 PolarHBondContact O-N 2.88Å; Q91-I93 VanDerWaalsContact C-N 3.35Å; Q91-I93 PolarHBondContact O-N 3.47Å; Q91-Q94 PolarHBondContact O-N 3.25Å; Q91-G95 PolarHBondContact O-N 3.31Å
92	L	81.6	Confident	79.9	Confident	105 Å²	105	48.7 Å²	48.7	55%	0.55	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-41	174.7	-72.9	171.5	0	0	0	112.1	E88 V89 G95 G96	E88-L92 HydrophobicContact CG-CD1 4.12Å; E88-L92 WeakPolarHBondContact O-CB 3.34Å; E88-L92 VanDerWaalsContact O-CG 3.3Å; E88-L92 WeakPolarHBondContact O-CG 3.44Å; E88-L92 PolarHBondContact O-N 3.3Å; V89-L92 PolarHBondContact O-N 3.31Å; L92-G95 PolarHBondContact O-N 2.77Å; L92-G96 PolarHBondContact O-N 3.3Å
93	I	81.8	Confident	79.7	Confident	85 Å²	85	53.1 Å²	53.1	44%	0.436	28%	0.282	S	S	.	.	H	α-helix	trans	-64.8	-44.9	175.9	-67.5	166.5	0	0	0	110.8	M44 V89 A90 Q91 G96 R97	M44-I93 HydrophobicContact SD-CG2 4.11Å; V89-I93 HydrophobicContact CG1-CD1 3.99Å; V89-I93 VanDerWaalsContact O-CG1 3.3Å; V89-I93 WeakPolarHBondContact O-CG1 3.28Å; V89-I93 PolarHBondContact O-N 3.06Å; V89-I93 VanDerWaalsContact O-N 3.11Å; A90-I93 PolarHBondContact O-N 3.5Å; Q91-I93 VanDerWaalsContact C-N 3.35Å; Q91-I93 PolarHBondContact O-N 3.47Å; I93-G96 PolarHBondContact O-N 2.96Å; I93-R97 WeakPolarHBondContact O-CG 3.4Å; I93-R97 PolarHBondContact O-N 3.16Å; I93-R97 VanDerWaalsContact O-N 3.11Å
94	Q	74.4	Confident	79.5	Confident	9 Å²	9	56.6 Å²	56.6	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-62.6	-43.6	175.8	-73.2	-172.5	0	0	0	112	A40 M44 I51 A90 Q91 G96 R97 L98	A40-Q94 PolarHBondContact O-NE2 3.44Å; M44-Q94 HydrophobicContact CG-CG 4.1Å; I51-Q94 HydrophobicContact CD1-CB 4.35Å; I51-Q94 HydrophobicContact CD1-CG 4.47Å; A90-Q94 WeakPolarHBondContact O-CG 3.28Å; A90-Q94 PolarHBondContact O-N 3.46Å; Q91-Q94 PolarHBondContact O-N 3.25Å; Q94-G96 PolarHBondContact O-N 3.38Å; Q94-R97 PolarHBondContact O-N 3.24Å; Q94-L98 PolarHBondContact O-N 2.75Å
95	G	77.4	Confident	78.9	Confident	15 Å²	15	62.2 Å²	62.2	16%	0.155	33%	0.327	C	S	.	.	H	α-helix	trans	-61	-42.9	176.5	0	0	0	0	0	112.5	Q91 L92 R97 L98 I99	Q91-G95 PolarHBondContact O-N 3.31Å; L92-G95 PolarHBondContact O-N 2.77Å; G95-R97 VanDerWaalsContact C-N 3.32Å; G95-R97 PolarHBondContact O-N 3.32Å; G95-L98 PolarHBondContact O-N 3.36Å; G95-I99 WeakPolarHBondContact O-CG1 3.31Å; G95-I99 PolarHBondContact O-N 3.35Å
96	G	79.2	Confident	78.4	Confident	42 Å²	42	65.7 Å²	65.7	43%	0.433	35%	0.346	S	S	.	.	H	α-helix	trans	-61.8	-38.8	174.8	0	0	0	0	0	113	L92 I93 Q94 K100	L92-G96 PolarHBondContact O-N 3.3Å; I93-G96 PolarHBondContact O-N 2.96Å; Q94-G96 PolarHBondContact O-N 3.38Å; G96-K100 PolarHBondContact O-N 2.7Å; G96-K100 VanDerWaalsContact O-N 3.1Å
97	R	75.8	Confident	77.8	Confident	95 Å²	95	67.4 Å²	67.4	36%	0.358	37%	0.365	S	S	.	.	H	α-helix	trans	-66.8	-39.4	174.8	-73.1	177.8	64	-166	-2.5	112.6	M44 I93 Q94 G95 K100 H101	M44-R97 PolarHBondContact O-NH1 2.8Å; I93-R97 WeakPolarHBondContact O-CG 3.4Å; I93-R97 PolarHBondContact O-N 3.16Å; I93-R97 VanDerWaalsContact O-N 3.11Å; Q94-R97 PolarHBondContact O-N 3.24Å; G95-R97 VanDerWaalsContact C-N 3.32Å; G95-R97 PolarHBondContact O-N 3.32Å; R97-K100 PolarHBondContact O-N 3.23Å; R97-H101 WeakPolarHBondContact O-CB 3.28Å; R97-H101 PolarHBondContact O-N 3.27Å
98	L	77.9	Confident	76.8	Confident	23 Å²	23	72.2 Å²	72.2	12%	0.12	40%	0.399	C	S	.	.	H	α-helix	trans	-63.5	-47	175.7	-179.2	66.4	0	0	0	111.2	I51 Q94 G95 K100 H101 E102	I51-L98 HydrophobicContact CB-CD1 4.49Å; I51-L98 HydrophobicContact CG2-CD2 4.4Å; Q94-L98 PolarHBondContact O-N 2.75Å; G95-L98 PolarHBondContact O-N 3.36Å; L98-K100 VanDerWaalsContact C-N 3.32Å; L98-K100 PolarHBondContact O-N 3.23Å; L98-H101 WeakPolarHBondContact O-CB 3.47Å; L98-H101 PolarHBondContact O-N 2.91Å; L98-H101 VanDerWaalsContact O-N 3.07Å; L98-E102 HydrophobicContact CD1-CG 4.4Å; L98-E102 PolarHBondContact O-N 2.95Å
99	I	77.7	Confident	75.4	Confident	108 Å²	108	77.6 Å²	77.6	55%	0.554	45%	0.448	S	S	*	.	H	α-helix	trans	-58.1	-46.3	177.7	-68.1	164.2	0	0	0	110.7	G95 H101 E102 M103	G95-I99 WeakPolarHBondContact O-CG1 3.31Å; G95-I99 PolarHBondContact O-N 3.35Å; I99-H101 VanDerWaalsContact C-N 3.28Å; I99-H101 PolarHBondContact O-N 2.99Å; I99-E102 PolarHBondContact O-N 3.01Å; I99-M103 HydrophobicContact CG2-CG 4.34Å; I99-M103 HydrophobicContact CG2-SD 3.92Å; I99-M103 WeakPolarHBondContact O-CB 3.43Å; I99-M103 VanDerWaalsContact O-CG 3.27Å; I99-M103 WeakPolarHBondContact O-CG 3.43Å; I99-M103 PolarHBondContact O-N 3.37Å
100	K	80.1	Confident	74.9	Confident	151 Å²	151	77.2 Å²	77.2	66%	0.657	44%	0.444	S	S	*	.	H	α-helix	trans	-60.4	-39.4	176.5	-173.8	178.6	179.4	-179.1	0	112	G96 R97 L98 T104	G96-K100 PolarHBondContact O-N 2.7Å; G96-K100 VanDerWaalsContact O-N 3.1Å; R97-K100 PolarHBondContact O-N 3.23Å; L98-K100 VanDerWaalsContact C-N 3.32Å; L98-K100 PolarHBondContact O-N 3.23Å; K100-T104 WeakPolarHBondContact O-CB 3.5Å; K100-T104 PolarHBondContact O-N 3.44Å; K100-T104 PolarHBondContact O-OG1 2.96Å
101	H	75.8	Confident	74.6	Confident	46 Å²	46	80.9 Å²	80.9	21%	0.213	47%	0.465	C	S	.	.	H	α-helix	trans	-64.7	-49.6	178.2	-175.6	-91.3	0	0	0	111.7	P48 E49 R97 L98 I99 M103 T104 K105	P48-H101 HydrophobicContact CB-CB 4.28Å; P48-H101 HydrophobicContact CG-CB 4.44Å; E49-H101 VanDerWaalsContact CG-CE1 3.44Å; E49-H101 WeakPolarHBondContact CG-CE1 3.49Å; E49-H101 IonicContact OE1-CE1 3.91Å; R97-H101 WeakPolarHBondContact O-CB 3.28Å; R97-H101 PolarHBondContact O-N 3.27Å; L98-H101 WeakPolarHBondContact O-CB 3.47Å; L98-H101 PolarHBondContact O-N 2.91Å; L98-H101 VanDerWaalsContact O-N 3.07Å; I99-H101 VanDerWaalsContact C-N 3.28Å; I99-H101 PolarHBondContact O-N 2.99Å; H101-M103 PolarHBondContact O-N 3.39Å; H101-T104 PolarHBondContact O-N 3.15Å; H101-K105 WeakPolarHBondContact O-CB 3.41Å; H101-K105 PolarHBondContact O-N 3.04Å
102	E	77.3	Confident	74.4	Confident	89 Å²	89	84.8 Å²	84.8	42%	0.416	49%	0.488	S	S	.	.	H	α-helix	trans	-61.1	-44.7	177.2	-67.4	-57	127.9	0	0	111.7	L98 I99 T104 K105 T106	L98-E102 HydrophobicContact CD1-CG 4.4Å; L98-E102 PolarHBondContact O-N 2.95Å; I99-E102 PolarHBondContact O-N 3.01Å; E102-T104 VanDerWaalsContact C-N 3.33Å; E102-T104 PolarHBondContact O-N 3.5Å; E102-K105 PolarHBondContact O-N 3.22Å; E102-T106 PolarHBondContact O-N 3Å; E102-T106 PolarHBondContact O-OG1 3.5Å; E102-T106 VanDerWaalsContact O-OG1 3.09Å
103	M	76.4	Confident	74	Confident	132 Å²	132	83.6 Å²	83.6	65%	0.65	48%	0.484	S	S	*	.	H	α-helix	trans	-60.5	-40.9	176.2	-71.2	179.9	73.7	0	0	112.8	I99 H101 A107	I99-M103 HydrophobicContact CG2-CG 4.34Å; I99-M103 HydrophobicContact CG2-SD 3.92Å; I99-M103 WeakPolarHBondContact O-CB 3.43Å; I99-M103 VanDerWaalsContact O-CG 3.27Å; I99-M103 WeakPolarHBondContact O-CG 3.43Å; I99-M103 PolarHBondContact O-N 3.37Å; H101-M103 PolarHBondContact O-N 3.39Å; M103-A107 WeakPolarHBondContact O-CB 3.48Å; M103-A107 PolarHBondContact O-N 3.41Å
104	T	75.6	Confident	73.5	Confident	77 Å²	77	83.6 Å²	83.6	47%	0.472	49%	0.487	S	S	.	.	H	α-helix	trans	-69	-39.4	178.6	-53.9	0	0	0	0	111.4	K100 H101 E102 A107 S108	K100-T104 WeakPolarHBondContact O-CB 3.5Å; K100-T104 PolarHBondContact O-N 3.44Å; K100-T104 PolarHBondContact O-OG1 2.96Å; H101-T104 PolarHBondContact O-N 3.15Å; E102-T104 VanDerWaalsContact C-N 3.33Å; E102-T104 PolarHBondContact O-N 3.5Å; T104-A107 PolarHBondContact O-N 2.83Å; T104-S108 PolarHBondContact O-N 2.9Å; T104-S108 PolarHBondContact O-OG 3.35Å
105	K	71.3	Confident	73.4	Confident	120 Å²	120	88.5 Å²	88.5	52%	0.522	52%	0.517	S	S	.	.	H	α-helix	trans	-64.5	-45.8	176.1	-175.3	174.7	177.1	170.9	0	111.6	H101 E102 A107 S108 A109	H101-K105 WeakPolarHBondContact O-CB 3.41Å; H101-K105 PolarHBondContact O-N 3.04Å; E102-K105 PolarHBondContact O-N 3.22Å; K105-A107 VanDerWaalsContact C-N 3.32Å; K105-A107 PolarHBondContact O-N 3.16Å; K105-S108 PolarHBondContact O-N 3.47Å; K105-A109 PolarHBondContact O-N 3.4Å
106	T	73.8	Confident	73.1	Confident	102 Å²	102	93.8 Å²	93.8	63%	0.626	54%	0.543	S	S	*	.	H	α-helix	trans	-63.7	-35.5	175.6	-57.2	0	0	0	0	112.5	E102 S108	E102-T106 PolarHBondContact O-N 3Å; E102-T106 PolarHBondContact O-OG1 3.5Å; E102-T106 VanDerWaalsContact O-OG1 3.09Å; T106-S108 VanDerWaalsContact C-N 3.25Å; T106-S108 PolarHBondContact O-N 2.92Å
107	A	69.3	Low	72.7	Confident	86 Å²	86	97.8 Å²	97.8	71%	0.711	55%	0.551	S	S	*	*	H	α-helix	trans	-72.5	-17	177.7	0	0	0	0	0	114.1	M103 T104 K105	M103-A107 WeakPolarHBondContact O-CB 3.48Å; M103-A107 PolarHBondContact O-N 3.41Å; T104-A107 PolarHBondContact O-N 2.83Å; K105-A107 VanDerWaalsContact C-N 3.32Å; K105-A107 PolarHBondContact O-N 3.16Å
108	S	60.2	Low	72.4	Confident	104 Å²	104	98 Å²	98	73%	0.727	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	-1.7	-178.7	-49.5	0	0	0	0	113.1	T104 K105 T106	T104-S108 PolarHBondContact O-N 2.9Å; T104-S108 PolarHBondContact O-OG 3.35Å; K105-S108 PolarHBondContact O-N 3.47Å; T106-S108 VanDerWaalsContact C-N 3.25Å; T106-S108 PolarHBondContact O-N 2.92Å
109	A	53.3	Low	71.9	Confident	138 Å²	138	104.8 Å²	104.8	100%	1.141	61%	0.608	S	S	*	*			trans	-104.8	0	177.7	0	0	0	0	0	109.9	K105	K105-A109 PolarHBondContact O-N 3.4Å

Retrieved 109 of 109 residues in 86 ms (Link to these results)

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