G4LY80_SCHMA Loading...

Mediator of RNA polymerase II transcription subunit 11

AlphaFold DB , UniProt , Accession G4LY80, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 177 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	40.9	Very low	241 Å²	241	147.8 Å²	147.8	100%	1.187	75%	0.749	S	S	*	*				0	98.9	0	-92.4	179.8	164.8	0	0	106.8	T3	M1-T3 PolarHBondContact O-N 3.46Å
2	E	34.8	Very low	41.6	Very low	191 Å²	191	138.3 Å²	138.3	89%	0.893	71%	0.706	S	S	*	*			trans	-76.3	112.9	167.5	-78.3	178.8	157.1	0	0	107.2	I4	E2-I4 PolarHBondContact O-N 3.38Å
3	T	34.8	Very low	42.3	Very low	132 Å²	132	131 Å²	131	81%	0.81	68%	0.679	S	S	*	*			trans	-68.9	90.4	167.5	45.5	0	0	0	0	106.8	M1 P5	M1-T3 PolarHBondContact O-N 3.46Å; T3-P5 WeakPolarHBondContact O-CD 3.35Å; T3-P5 VanDerWaalsContact O-N 3.08Å
4	I	41.6	Very low	42.9	Very low	143 Å²	143	126 Å²	126	73%	0.733	65%	0.651	S	S	*	*			trans	-49.9	119.3	162.8	-59.6	171.5	0	0	0	104.8	E2 Q6	E2-I4 PolarHBondContact O-N 3.38Å; I4-Q6 VanDerWaalsContact C-N 3.31Å; I4-Q6 PolarHBondContact O-N 3.31Å
5	P	40.4	Very low	43.8	Very low	119 Å²	119	124.3 Å²	124.3	77%	0.773	64%	0.642	S	S	*	*			trans	-55.2	102.9	-175.9	17.3	-27.7	0	0	0	107.4	T3 Y7	T3-P5 WeakPolarHBondContact O-CD 3.35Å; T3-P5 VanDerWaalsContact O-N 3.08Å; P5-Y7 PolarHBondContact O-N 3.05Å
6	Q	38.8	Very low	44.6	Very low	180 Å²	180	121.8 Å²	121.8	84%	0.841	63%	0.625	S	S	*	*			trans	-55.2	112.8	-176.8	-111.5	-178.4	-16	0	0	105.3	I4 E8	I4-Q6 VanDerWaalsContact C-N 3.31Å; I4-Q6 PolarHBondContact O-N 3.31Å; Q6-E8 PolarHBondContact O-N 3.3Å
7	Y	39.7	Very low	45.5	Very low	194 Å²	194	117 Å²	117	76%	0.761	60%	0.603	S	S	*	*			trans	17.5	96.6	156.5	-69.6	-93.4	0	0	0	112	P5 T9	P5-Y7 PolarHBondContact O-N 3.05Å; Y7-T9 WeakPolarHBondContact O-CA 3.25Å; Y7-T9 PolarHBondContact O-N 2.81Å
8	E	46.1	Very low	46.5	Very low	121 Å²	121	114.6 Å²	114.6	57%	0.565	59%	0.588	S	S	*	*			trans	-43.1	103.4	140.1	-82.7	-176	167.2	0	0	104.4	Q6 K16	Q6-E8 PolarHBondContact O-N 3.3Å; E8-K16 IonicContact OE1-NZ 2.71Å; E8-K16 PolarHBondContact OE1-NZ 3.47Å; E8-K16 IonicContact OE2-NZ 3.93Å; E8-K16 PolarHBondContact OE2-NZ 3.42Å
9	T	48.3	Very low	47.6	Very low	75 Å²	75	113.6 Å²	113.6	46%	0.46	58%	0.581	S	S	.	*			trans	-54.1	154.9	-165.7	48.6	0	0	0	0	107.4	Y7 Q11 S12 A13	Y7-T9 WeakPolarHBondContact O-CA 3.25Å; Y7-T9 PolarHBondContact O-N 2.81Å; T9-Q11 CarbonylContact O-C 3.54Å; T9-Q11 PolarHBondContact O-N 3.4Å; T9-S12 WeakPolarHBondContact O-CA 3.14Å; T9-S12 WeakPolarHBondContact O-CB 3.46Å; T9-S12 PolarHBondContact O-N 3.41Å; T9-S12 PolarHBondContact OG1-N 2.77Å; T9-A13 PolarHBondContact O-N 3.49Å
10	V	46.7	Very low	48.6	Very low	99 Å²	99	112.7 Å²	112.7	60%	0.6	58%	0.576	S	S	*	*	H	α-helix	trans	-44.2	-35.9	172.3	170.7	0	0	0	0	110.2	H14	V10-H14 VanDerWaalsContact CG1-CD2 3.49Å; V10-H14 WeakPolarHBondContact CG1-CD2 3.33Å; V10-H14 WeakPolarHBondContact CG1-NE2 3.45Å; V10-H14 VanDerWaalsContact O-CB 3.27Å; V10-H14 WeakPolarHBondContact O-CB 3.22Å; V10-H14 PolarHBondContact O-CD2 2.83Å; V10-H14 PolarHBondContact O-N 3.21Å
11	Q	46.1	Very low	49.6	Very low	131 Å²	131	107.8 Å²	107.8	61%	0.612	55%	0.551	S	S	*	*	H	α-helix	trans	-61.2	-44.1	168.8	-169.8	174.2	5.4	0	0	116.4	T9 H14 L15	T9-Q11 CarbonylContact O-C 3.54Å; T9-Q11 PolarHBondContact O-N 3.4Å; Q11-H14 WeakPolarHBondContact O-CB 3.46Å; Q11-H14 PolarHBondContact O-N 2.84Å; Q11-L15 WeakPolarHBondContact O-CG 3.16Å; Q11-L15 PolarHBondContact O-N 3.06Å
12	S	50	Low	51.5	Low	34 Å²	34	100.3 Å²	100.3	24%	0.238	51%	0.513	C	S	.	.	H	α-helix	trans	-64.8	-46.9	173.9	179.1	0	0	0	0	112.2	T9 H14 L15 K16	T9-S12 WeakPolarHBondContact O-CA 3.14Å; T9-S12 WeakPolarHBondContact O-CB 3.46Å; T9-S12 PolarHBondContact O-N 3.41Å; T9-S12 PolarHBondContact OG1-N 2.77Å; S12-H14 PolarHBondContact O-N 3.3Å; S12-L15 PolarHBondContact O-N 3.22Å; S12-K16 WeakPolarHBondContact O-CG 2.88Å; S12-K16 PolarHBondContact O-N 3.32Å
13	A	50.2	Low	53.2	Low	43 Å²	43	96.7 Å²	96.7	36%	0.355	49%	0.494	S	S	.	.	H	α-helix	trans	-57	-37	171.5	0	0	0	0	0	110.3	T9 K16 V17	T9-A13 PolarHBondContact O-N 3.49Å; A13-K16 PolarHBondContact O-N 3.39Å; A13-V17 WeakPolarHBondContact O-CG2 3.41Å; A13-V17 PolarHBondContact O-N 2.97Å; A13-V17 VanDerWaalsContact O-N 3.09Å
14	H	50.3	Low	54.8	Low	61 Å²	61	91.5 Å²	91.5	28%	0.282	46%	0.461	S	S	.	.	H	α-helix	trans	-69.6	-44	179.3	-72.6	-38.8	0	0	0	114.7	V10 Q11 S12 K16 V17 E18 Y84	V10-H14 VanDerWaalsContact CG1-CD2 3.49Å; V10-H14 WeakPolarHBondContact CG1-CD2 3.33Å; V10-H14 WeakPolarHBondContact CG1-NE2 3.45Å; V10-H14 VanDerWaalsContact O-CB 3.27Å; V10-H14 WeakPolarHBondContact O-CB 3.22Å; V10-H14 PolarHBondContact O-CD2 2.83Å; V10-H14 PolarHBondContact O-N 3.21Å; Q11-H14 WeakPolarHBondContact O-CB 3.46Å; Q11-H14 PolarHBondContact O-N 2.84Å; S12-H14 PolarHBondContact O-N 3.3Å; H14-K16 VanDerWaalsContact C-N 3.26Å; H14-K16 PolarHBondContact O-N 3.42Å; H14-V17 PolarHBondContact O-N 3.26Å; H14-E18 PolarHBondContact O-N 3.38Å; H14-Y84 WeakPolarHBondContact CA-OH 3.49Å; H14-Y84 HydrophobicContact CB-CE1 4.34Å; H14-Y84 WeakPolarHBondContact CB-OH 3.42Å; H14-Y84 AromaticContact CE1-CE2 3.78Å; H14-Y84 AromaticContact CE1-CZ 3.97Å; H14-Y84 AromaticContact CG-CZ 3.78Å; H14-Y84 VanDerWaalsContact CG-OH 3.25Å; H14-Y84 AromaticContact ND1-CE2 3.42Å; H14-Y84 WeakPolarHBondContact ND1-CE2 3.2Å; H14-Y84 AromaticContact ND1-CZ 3.19Å; H14-Y84 PolarHBondContact ND1-OH 2.86Å; H14-Y84 PolarHBondContact O-OH 3.34Å; H14-Y84 VanDerWaalsContact O-OH 3.11Å
15	L	56.4	Low	55.9	Low	100 Å²	100	89.2 Å²	89.2	52%	0.524	44%	0.444	S	S	.	.	H	α-helix	trans	-59.3	-40.4	174.9	-74.2	169.1	0	0	0	110.8	Q11 S12 E18 E19	Q11-L15 WeakPolarHBondContact O-CG 3.16Å; Q11-L15 PolarHBondContact O-N 3.06Å; S12-L15 PolarHBondContact O-N 3.22Å; L15-E18 PolarHBondContact O-N 3.05Å; L15-E19 WeakPolarHBondContact O-CB 3.49Å; L15-E19 PolarHBondContact O-N 3.39Å
16	K	57.7	Low	57.3	Low	85 Å²	85	89.7 Å²	89.7	37%	0.37	44%	0.435	S	S	.	.	H	α-helix	trans	-63.1	-42.3	175.4	-73.7	-179	180	-175.1	0	112.5	E8 S12 A13 H14 E19 I20	E8-K16 IonicContact OE1-NZ 2.71Å; E8-K16 PolarHBondContact OE1-NZ 3.47Å; E8-K16 IonicContact OE2-NZ 3.93Å; E8-K16 PolarHBondContact OE2-NZ 3.42Å; S12-K16 WeakPolarHBondContact O-CG 2.88Å; S12-K16 PolarHBondContact O-N 3.32Å; A13-K16 PolarHBondContact O-N 3.39Å; H14-K16 VanDerWaalsContact C-N 3.26Å; H14-K16 PolarHBondContact O-N 3.42Å; K16-E19 PolarHBondContact O-N 3.28Å; K16-I20 WeakPolarHBondContact O-CB 3.39Å; K16-I20 WeakPolarHBondContact O-CD1 3.12Å; K16-I20 WeakPolarHBondContact O-CG1 3.27Å; K16-I20 PolarHBondContact O-N 3.43Å
17	V	59.7	Low	58.7	Low	40 Å²	40	86.2 Å²	86.2	24%	0.242	42%	0.422	C	S	.	.	H	α-helix	trans	-65.3	-43.7	177.7	166.7	0	0	0	0	111	A13 H14 I20 F21 Y84	A13-V17 WeakPolarHBondContact O-CG2 3.41Å; A13-V17 PolarHBondContact O-N 2.97Å; A13-V17 VanDerWaalsContact O-N 3.09Å; H14-V17 PolarHBondContact O-N 3.26Å; V17-I20 PolarHBondContact O-N 3.29Å; V17-F21 HydrophobicContact CG1-CD2 3.67Å; V17-F21 HydrophobicContact CG1-CE2 3.23Å; V17-F21 HydrophobicContact CG1-CZ 4.17Å; V17-F21 WeakPolarHBondContact O-CD2 3.24Å; V17-F21 PolarHBondContact O-N 2.75Å; V17-Y84 WeakPolarHBondContact CB-OH 3.31Å; V17-Y84 HydrophobicContact CG1-CE2 4.35Å
18	E	63.2	Low	59.7	Low	73 Å²	73	77.5 Å²	77.5	34%	0.341	39%	0.388	S	S	.	.	H	α-helix	trans	-62.1	-44.4	175.1	-175.5	169.8	-163.9	0	0	111.9	H14 L15 I20 F21 Q22	H14-E18 PolarHBondContact O-N 3.38Å; L15-E18 PolarHBondContact O-N 3.05Å; E18-I20 VanDerWaalsContact C-N 3.34Å; E18-I20 PolarHBondContact O-N 3.34Å; E18-F21 PolarHBondContact O-N 3.38Å; E18-Q22 WeakPolarHBondContact O-CG 3.49Å; E18-Q22 PolarHBondContact O-N 2.97Å
19	E	67.4	Low	60.7	Low	97 Å²	97	74.7 Å²	74.7	45%	0.453	38%	0.377	S	S	.	.	H	α-helix	trans	-58.9	-44.9	174.6	-172.6	-168.5	164.9	0	0	111.5	L15 K16 F21 Q22 K23	L15-E19 WeakPolarHBondContact O-CB 3.49Å; L15-E19 PolarHBondContact O-N 3.39Å; K16-E19 PolarHBondContact O-N 3.28Å; E19-F21 VanDerWaalsContact C-N 3.33Å; E19-F21 PolarHBondContact O-N 3.41Å; E19-Q22 PolarHBondContact O-N 2.76Å; E19-K23 HydrophobicContact CG-CD 4.43Å; E19-K23 WeakPolarHBondContact O-CB 3.02Å; E19-K23 WeakPolarHBondContact O-CG 3.35Å; E19-K23 PolarHBondContact O-N 3.48Å; E19-K23 WeakPolarHBondContact OE1-CE 3.47Å; E19-K23 IonicContact OE1-NZ 2.8Å; E19-K23 PolarHBondContact OE1-NZ 2.74Å
20	I	67.8	Low	61.6	Low	94 Å²	94	76 Å²	76	48%	0.482	38%	0.377	S	S	.	.	H	α-helix	trans	-61.5	-43	176.2	-71.8	164.5	0	0	0	110.5	K16 V17 E18 K23 I24	K16-I20 WeakPolarHBondContact O-CB 3.39Å; K16-I20 WeakPolarHBondContact O-CD1 3.12Å; K16-I20 WeakPolarHBondContact O-CG1 3.27Å; K16-I20 PolarHBondContact O-N 3.43Å; V17-I20 PolarHBondContact O-N 3.29Å; E18-I20 VanDerWaalsContact C-N 3.34Å; E18-I20 PolarHBondContact O-N 3.34Å; I20-K23 PolarHBondContact O-N 2.89Å; I20-I24 HydrophobicContact CG2-CD1 3.66Å; I20-I24 HydrophobicContact CG2-CG1 4.36Å; I20-I24 WeakPolarHBondContact O-CB 3.45Å; I20-I24 VanDerWaalsContact O-CG1 3.24Å; I20-I24 WeakPolarHBondContact O-CG1 3.5Å; I20-I24 PolarHBondContact O-N 3.38Å
21	F	69.4	Low	62	Low	10 Å²	10	73.4 Å²	73.4	4%	0.044	36%	0.358	C	S	.	.	H	α-helix	trans	-62.3	-43.8	176.5	-78.6	-52.1	0	0	0	112.9	V17 E18 E19 I24 R25 L77 L80 I119	V17-F21 HydrophobicContact CG1-CD2 3.67Å; V17-F21 HydrophobicContact CG1-CE2 3.23Å; V17-F21 HydrophobicContact CG1-CZ 4.17Å; V17-F21 WeakPolarHBondContact O-CD2 3.24Å; V17-F21 PolarHBondContact O-N 2.75Å; E18-F21 PolarHBondContact O-N 3.38Å; E19-F21 VanDerWaalsContact C-N 3.33Å; E19-F21 PolarHBondContact O-N 3.41Å; F21-I24 PolarHBondContact O-N 2.79Å; F21-R25 WeakPolarHBondContact O-CB 3.46Å; F21-R25 PolarHBondContact O-N 3.43Å; F21-L77 HydrophobicContact CB-CD2 3.98Å; F21-L77 HydrophobicContact CD1-CD1 3.8Å; F21-L77 HydrophobicContact CD1-CD2 3.45Å; F21-L77 VanDerWaalsContact CD1-CD2 3.45Å; F21-L77 HydrophobicContact CD1-CG 3.55Å; F21-L77 HydrophobicContact CE1-CD1 4.17Å; F21-L77 HydrophobicContact CE1-CD2 4.26Å; F21-L77 HydrophobicContact CE1-CG 3.9Å; F21-L77 HydrophobicContact CG-CD2 4Å; F21-L80 HydrophobicContact CE1-CD2 4.06Å; F21-L80 HydrophobicContact CE2-CD2 3.79Å; F21-L80 HydrophobicContact CZ-CD2 3.48Å; F21-L80 VanDerWaalsContact CZ-CD2 3.48Å; F21-I119 HydrophobicContact CE1-CD1 4.38Å; F21-I119 HydrophobicContact CE1-CG1 4.39Å; F21-I119 HydrophobicContact CE1-CG2 3.46Å; F21-I119 VanDerWaalsContact CE1-CG2 3.46Å; F21-I119 HydrophobicContact CZ-CD1 3.84Å; F21-I119 HydrophobicContact CZ-CG1 4.33Å; F21-I119 HydrophobicContact CZ-CG2 3.71Å
22	Q	72.4	Confident	62.5	Low	84 Å²	84	69.2 Å²	69.2	39%	0.393	34%	0.337	S	S	.	.	H	α-helix	trans	-65	-40.4	176.9	-66.6	-64.7	-6.3	0	0	111.5	E18 E19 R25 H26	E18-Q22 WeakPolarHBondContact O-CG 3.49Å; E18-Q22 PolarHBondContact O-N 2.97Å; E19-Q22 PolarHBondContact O-N 2.76Å; Q22-R25 PolarHBondContact O-N 2.69Å; Q22-H26 WeakPolarHBondContact O-CB 3.42Å; Q22-H26 PolarHBondContact O-N 3.2Å
23	K	70.7	Confident	63.1	Low	115 Å²	115	73.4 Å²	73.4	50%	0.5	35%	0.352	S	S	.	.	H	α-helix	trans	-62.2	-44.5	174.4	-76.3	178.2	-176.7	172.4	0	112.1	E19 I20 H26 L27	E19-K23 HydrophobicContact CG-CD 4.43Å; E19-K23 WeakPolarHBondContact O-CB 3.02Å; E19-K23 WeakPolarHBondContact O-CG 3.35Å; E19-K23 PolarHBondContact O-N 3.48Å; E19-K23 WeakPolarHBondContact OE1-CE 3.47Å; E19-K23 IonicContact OE1-NZ 2.8Å; E19-K23 PolarHBondContact OE1-NZ 2.74Å; I20-K23 PolarHBondContact O-N 2.89Å; K23-H26 PolarHBondContact O-N 2.86Å; K23-L27 WeakPolarHBondContact O-CG 3.43Å; K23-L27 PolarHBondContact O-N 3.44Å
24	I	67.7	Low	63.1	Low	23 Å²	23	75.3 Å²	75.3	12%	0.118	35%	0.354	C	S	.	.	H	α-helix	trans	-60.7	-50.3	175.4	-70.5	164.8	0	0	0	109.6	I20 F21 H26 L27 L28 F73 L77 V123 L126	I20-I24 HydrophobicContact CG2-CD1 3.66Å; I20-I24 HydrophobicContact CG2-CG1 4.36Å; I20-I24 WeakPolarHBondContact O-CB 3.45Å; I20-I24 VanDerWaalsContact O-CG1 3.24Å; I20-I24 WeakPolarHBondContact O-CG1 3.5Å; I20-I24 PolarHBondContact O-N 3.38Å; F21-I24 PolarHBondContact O-N 2.79Å; I24-H26 VanDerWaalsContact C-N 3.31Å; I24-H26 PolarHBondContact O-N 2.68Å; I24-L27 PolarHBondContact O-N 3.21Å; I24-L28 HydrophobicContact CG2-CD1 3.79Å; I24-L28 HydrophobicContact CG2-CG 4.24Å; I24-L28 VanDerWaalsContact O-CG 3.24Å; I24-L28 WeakPolarHBondContact O-CG 3.33Å; I24-L28 PolarHBondContact O-N 3.03Å; I24-F73 HydrophobicContact CG2-CE1 3.82Å; I24-L77 HydrophobicContact CG2-CD1 3.85Å; I24-V123 HydrophobicContact CD1-CG2 3.85Å; I24-L126 HydrophobicContact CG2-CD1 3.92Å
25	R	65.8	Low	63.1	Low	96 Å²	96	74.8 Å²	74.8	36%	0.362	35%	0.35	S	S	.	.	H	α-helix	trans	-56.7	-43.9	178.3	-173.4	177.9	-176.8	-171.7	0.2	112.2	F21 Q22 L28 N29	F21-R25 WeakPolarHBondContact O-CB 3.46Å; F21-R25 PolarHBondContact O-N 3.43Å; Q22-R25 PolarHBondContact O-N 2.69Å; R25-L28 PolarHBondContact O-N 2.91Å; R25-N29 WeakPolarHBondContact O-CB 3.46Å; R25-N29 VanDerWaalsContact O-CG 3.32Å; R25-N29 PolarHBondContact O-N 3.21Å
26	H	69.9	Low	63	Low	128 Å²	128	76.3 Å²	76.3	59%	0.593	35%	0.354	S	S	*	.	H	α-helix	trans	-61.7	-46	176.8	-179.7	71.9	0	0	0	112.1	Q22 K23 I24 L28 N29 K30	Q22-H26 WeakPolarHBondContact O-CB 3.42Å; Q22-H26 PolarHBondContact O-N 3.2Å; K23-H26 PolarHBondContact O-N 2.86Å; I24-H26 VanDerWaalsContact C-N 3.31Å; I24-H26 PolarHBondContact O-N 2.68Å; H26-L28 VanDerWaalsContact C-N 3.34Å; H26-L28 PolarHBondContact O-N 3.49Å; H26-N29 PolarHBondContact O-N 3.02Å; H26-K30 WeakPolarHBondContact O-CB 3.13Å; H26-K30 PolarHBondContact O-N 2.84Å
27	L	66.7	Low	62.8	Low	107 Å²	107	77.3 Å²	77.3	56%	0.56	36%	0.364	S	S	*	.	H	α-helix	trans	-62.8	-39.6	176.9	-74.4	167.6	0	0	0	112.3	K23 I24 H31	K23-L27 WeakPolarHBondContact O-CG 3.43Å; K23-L27 PolarHBondContact O-N 3.44Å; I24-L27 PolarHBondContact O-N 3.21Å; L27-H31 WeakPolarHBondContact O-CB 3.48Å; L27-H31 PolarHBondContact O-N 2.79Å
28	L	61.8	Low	62.4	Low	11 Å²	11	81.7 Å²	81.7	6%	0.058	38%	0.379	C	S	.	.	H	α-helix	trans	-64.4	-48.8	176.3	-62.7	169.4	0	0	0	110.6	I24 R25 H26 K30 H31 Y32 I70 F73 N74 L126	I24-L28 HydrophobicContact CG2-CD1 3.79Å; I24-L28 HydrophobicContact CG2-CG 4.24Å; I24-L28 VanDerWaalsContact O-CG 3.24Å; I24-L28 WeakPolarHBondContact O-CG 3.33Å; I24-L28 PolarHBondContact O-N 3.03Å; R25-L28 PolarHBondContact O-N 2.91Å; H26-L28 VanDerWaalsContact C-N 3.34Å; H26-L28 PolarHBondContact O-N 3.49Å; L28-K30 VanDerWaalsContact C-N 3.34Å; L28-K30 PolarHBondContact O-N 2.96Å; L28-H31 WeakPolarHBondContact O-CB 3.49Å; L28-H31 PolarHBondContact O-N 3.1Å; L28-H31 VanDerWaalsContact O-N 3.12Å; L28-Y32 HydrophobicContact CB-CE2 4.35Å; L28-Y32 WeakPolarHBondContact O-CD2 3.5Å; L28-Y32 PolarHBondContact O-N 2.89Å; L28-I70 HydrophobicContact CB-CG2 4.33Å; L28-I70 HydrophobicContact CD2-CB 4.49Å; L28-I70 HydrophobicContact CD2-CG2 3.37Å; L28-I70 HydrophobicContact CG-CG2 4.3Å; L28-F73 HydrophobicContact CD1-CD1 3.86Å; L28-F73 HydrophobicContact CD1-CE1 4.18Å; L28-N74 HydrophobicContact CD1-CB 4.24Å; L28-L126 HydrophobicContact CD1-CD1 4.44Å; L28-L126 HydrophobicContact CD2-CD1 3.88Å; L28-L126 HydrophobicContact CD2-CD2 3.5Å; L28-L126 VanDerWaalsContact CD2-CD2 3.5Å; L28-L126 HydrophobicContact CD2-CG 4.36Å
29	N	65.9	Low	61.5	Low	63 Å²	63	83.9 Å²	83.9	34%	0.337	39%	0.39	S	S	.	.	H	α-helix	trans	-58.4	-45.2	177.6	-73.2	-2.6	0	0	0	111.9	R25 H26 H31 Y32 E33 N74	R25-N29 WeakPolarHBondContact O-CB 3.46Å; R25-N29 VanDerWaalsContact O-CG 3.32Å; R25-N29 PolarHBondContact O-N 3.21Å; H26-N29 PolarHBondContact O-N 3.02Å; N29-H31 VanDerWaalsContact C-N 3.28Å; N29-H31 PolarHBondContact O-N 3.31Å; N29-Y32 WeakPolarHBondContact O-CB 3.17Å; N29-Y32 PolarHBondContact O-N 2.9Å; N29-Y32 VanDerWaalsContact O-N 3.12Å; N29-E33 PolarHBondContact O-N 2.92Å; N29-N74 PolarHBondContact OD1-ND2 3.31Å
30	K	67.7	Low	60.4	Low	103 Å²	103	84.8 Å²	84.8	45%	0.448	40%	0.398	S	S	.	.	H	α-helix	trans	-58.9	-41.6	175.5	-173.7	-178.1	178.6	-171.5	0	111.8	H26 L28 Y32 E33 E34	H26-K30 WeakPolarHBondContact O-CB 3.13Å; H26-K30 PolarHBondContact O-N 2.84Å; L28-K30 VanDerWaalsContact C-N 3.34Å; L28-K30 PolarHBondContact O-N 2.96Å; K30-Y32 VanDerWaalsContact C-N 3.31Å; K30-Y32 PolarHBondContact O-N 3.03Å; K30-E33 PolarHBondContact O-N 3.35Å; K30-E34 WeakPolarHBondContact CE-OE1 3.11Å; K30-E34 IonicContact NZ-OE1 3.7Å; K30-E34 WeakPolarHBondContact O-CG 3.36Å; K30-E34 PolarHBondContact O-N 2.94Å
31	H	56.2	Low	59.4	Low	43 Å²	43	85.4 Å²	85.4	20%	0.199	40%	0.401	C	S	.	.	H	α-helix	trans	-62.7	-38.6	176.7	-160.4	58.1	0	0	0	112.1	L27 L28 N29 E34 Y35 N133	L27-H31 WeakPolarHBondContact O-CB 3.48Å; L27-H31 PolarHBondContact O-N 2.79Å; L28-H31 WeakPolarHBondContact O-CB 3.49Å; L28-H31 PolarHBondContact O-N 3.1Å; L28-H31 VanDerWaalsContact O-N 3.12Å; N29-H31 VanDerWaalsContact C-N 3.28Å; N29-H31 PolarHBondContact O-N 3.31Å; H31-E34 PolarHBondContact O-N 3.19Å; H31-Y35 AromaticContact CD2-CD2 4Å; H31-Y35 AromaticContact CD2-CE2 3.83Å; H31-Y35 AromaticContact CE1-CD2 3.93Å; H31-Y35 AromaticContact CE1-CE2 3.33Å; H31-Y35 WeakPolarHBondContact CE1-CE2 3.2Å; H31-Y35 AromaticContact NE2-CD2 3.85Å; H31-Y35 AromaticContact NE2-CE2 3.2Å; H31-Y35 WeakPolarHBondContact NE2-CE2 2.99Å; H31-Y35 AromaticContact NE2-CZ 3.97Å; H31-Y35 VanDerWaalsContact O-CD2 3.31Å; H31-Y35 WeakPolarHBondContact O-CD2 3.38Å; H31-Y35 PolarHBondContact O-N 3.44Å; H31-N133 PolarHBondContact CE1-ND2 3.3Å; H31-N133 VanDerWaalsContact CE1-ND2 3.29Å; H31-N133 PolarHBondContact NE2-ND2 3.19Å
32	Y	55.3	Low	58.2	Low	43 Å²	43	89 Å²	89	17%	0.169	43%	0.427	C	S	.	.	H	α-helix	trans	-65.4	-46.6	175	-73.3	-65.7	0	0	0	113.1	L28 N29 K30 E34 Y35 E36 S67 I70 K71	L28-Y32 HydrophobicContact CB-CE2 4.35Å; L28-Y32 WeakPolarHBondContact O-CD2 3.5Å; L28-Y32 PolarHBondContact O-N 2.89Å; N29-Y32 WeakPolarHBondContact O-CB 3.17Å; N29-Y32 PolarHBondContact O-N 2.9Å; N29-Y32 VanDerWaalsContact O-N 3.12Å; K30-Y32 VanDerWaalsContact C-N 3.31Å; K30-Y32 PolarHBondContact O-N 3.03Å; Y32-E34 VanDerWaalsContact C-N 3.26Å; Y32-E34 PolarHBondContact O-N 2.96Å; Y32-Y35 CarbonylContact O-C 3.54Å; Y32-Y35 WeakPolarHBondContact O-CA 3.14Å; Y32-Y35 PolarHBondContact O-N 3.37Å; Y32-E36 PolarHBondContact O-N 3.45Å; Y32-S67 WeakPolarHBondContact CE1-OG 3.24Å; Y32-S67 PolarHBondContact OH-O 3.44Å; Y32-S67 VanDerWaalsContact OH-O 3.07Å; Y32-I70 HydrophobicContact CE1-CG2 4.38Å; Y32-I70 HydrophobicContact CE2-CG2 3.68Å; Y32-I70 VanDerWaalsContact CZ-CG2 3.46Å; Y32-I70 VanDerWaalsContact OH-CB 3.32Å; Y32-I70 WeakPolarHBondContact OH-CB 3.18Å; Y32-I70 WeakPolarHBondContact OH-CG2 3.3Å; Y32-I70 PolarHBondContact OH-O 3.36Å; Y32-K71 WeakPolarHBondContact OH-CA 3.37Å; Y32-K71 VanDerWaalsContact OH-CB 3.3Å; Y32-K71 WeakPolarHBondContact OH-CB 3.36Å; Y32-K71 PolarHBondContact OH-N 2.95Å
33	E	62	Low	56.7	Low	122 Å²	122	91.1 Å²	91.1	57%	0.57	44%	0.441	S	S	*	.	H	α-helix	trans	-57.7	-42.8	177.1	-71.3	174.1	-172.9	0	0	110.7	N29 K30 Y35 N37	N29-E33 PolarHBondContact O-N 2.92Å; K30-E33 PolarHBondContact O-N 3.35Å; E33-Y35 VanDerWaalsContact C-N 3.31Å; E33-Y35 PolarHBondContact O-N 2.86Å; E33-N37 WeakPolarHBondContact O-CB 3.34Å; E33-N37 PolarHBondContact O-N 3.14Å; E33-N37 VanDerWaalsContact O-N 3.08Å; E33-N37 PolarHBondContact O-ND2 2.92Å
34	E	52.3	Low	55.2	Low	83 Å²	83	91.2 Å²	91.2	39%	0.388	45%	0.446	S	S	.	.	H	α-helix	trans	-65.1	-32.6	175.2	-71.7	175.9	-171.2	0	0	113.1	K30 H31 Y32 K38	K30-E34 WeakPolarHBondContact CE-OE1 3.11Å; K30-E34 IonicContact NZ-OE1 3.7Å; K30-E34 WeakPolarHBondContact O-CG 3.36Å; K30-E34 PolarHBondContact O-N 2.94Å; H31-E34 PolarHBondContact O-N 3.19Å; Y32-E34 VanDerWaalsContact C-N 3.26Å; Y32-E34 PolarHBondContact O-N 2.96Å; E34-K38 WeakPolarHBondContact O-CB 3.41Å; E34-K38 WeakPolarHBondContact O-CD 3.22Å; E34-K38 WeakPolarHBondContact O-CG 3.5Å; E34-K38 PolarHBondContact O-N 2.97Å
35	Y	49.9	Very low	53.7	Low	50 Å²	50	95.5 Å²	95.5	20%	0.196	48%	0.476	C	S	.	.	H	α-helix	trans	-76.2	-49.1	177.5	-99	-103.7	0	0	0	112.9	H31 Y32 E33 N37 K38 E39 M63	H31-Y35 AromaticContact CD2-CD2 4Å; H31-Y35 AromaticContact CD2-CE2 3.83Å; H31-Y35 AromaticContact CE1-CD2 3.93Å; H31-Y35 AromaticContact CE1-CE2 3.33Å; H31-Y35 WeakPolarHBondContact CE1-CE2 3.2Å; H31-Y35 AromaticContact NE2-CD2 3.85Å; H31-Y35 AromaticContact NE2-CE2 3.2Å; H31-Y35 WeakPolarHBondContact NE2-CE2 2.99Å; H31-Y35 AromaticContact NE2-CZ 3.97Å; H31-Y35 VanDerWaalsContact O-CD2 3.31Å; H31-Y35 WeakPolarHBondContact O-CD2 3.38Å; H31-Y35 PolarHBondContact O-N 3.44Å; Y32-Y35 CarbonylContact O-C 3.54Å; Y32-Y35 WeakPolarHBondContact O-CA 3.14Å; Y32-Y35 PolarHBondContact O-N 3.37Å; E33-Y35 VanDerWaalsContact C-N 3.31Å; E33-Y35 PolarHBondContact O-N 2.86Å; Y35-N37 VanDerWaalsContact C-N 3.27Å; Y35-N37 PolarHBondContact O-N 3.26Å; Y35-K38 CarbonylContact O-C 3.57Å; Y35-K38 WeakPolarHBondContact O-CA 3.42Å; Y35-K38 PolarHBondContact O-N 3.38Å; Y35-E39 PolarHBondContact O-N 2.91Å; Y35-M63 HydrophobicContact CD1-CE 4.1Å; Y35-M63 HydrophobicContact CE1-CB 4.22Å; Y35-M63 HydrophobicContact CE1-CE 3.17Å; Y35-M63 HydrophobicContact CE1-CG 4.26Å; Y35-M63 HydrophobicContact CE1-SD 4.45Å; Y35-M63 WeakPolarHBondContact OH-CE 2.98Å
36	E	53.2	Low	52.5	Low	132 Å²	132	96.2 Å²	96.2	62%	0.617	49%	0.494	S	S	*	.	H	α-helix	trans	-59.4	-40.9	176	-84.5	-168.8	161.8	0	0	111	Y32 K38 E39 N40	Y32-E36 PolarHBondContact O-N 3.45Å; E36-K38 PolarHBondContact O-N 3.02Å; E36-E39 PolarHBondContact O-N 3.39Å; E36-N40 PolarHBondContact O-N 3.18Å
37	N	54.6	Low	50.9	Low	107 Å²	107	96.6 Å²	96.6	57%	0.572	50%	0.5	S	S	*	.	H	α-helix	trans	-63.8	-28.3	175.8	-73.4	-34.6	0	0	0	112.6	E33 Y35	E33-N37 WeakPolarHBondContact O-CB 3.34Å; E33-N37 PolarHBondContact O-N 3.14Å; E33-N37 VanDerWaalsContact O-N 3.08Å; E33-N37 PolarHBondContact O-ND2 2.92Å; Y35-N37 VanDerWaalsContact C-N 3.27Å; Y35-N37 PolarHBondContact O-N 3.26Å
38	K	49.8	Very low	49.9	Very low	131 Å²	131	101 Å²	101	57%	0.57	52%	0.518	S	S	*	.	H	α-helix	trans	-85.7	-30	175.8	-74.9	175	-176.9	178.4	0	113.4	E34 Y35 E36 N40 I41 S42	E34-K38 WeakPolarHBondContact O-CB 3.41Å; E34-K38 WeakPolarHBondContact O-CD 3.22Å; E34-K38 WeakPolarHBondContact O-CG 3.5Å; E34-K38 PolarHBondContact O-N 2.97Å; Y35-K38 CarbonylContact O-C 3.57Å; Y35-K38 WeakPolarHBondContact O-CA 3.42Å; Y35-K38 PolarHBondContact O-N 3.38Å; E36-K38 PolarHBondContact O-N 3.02Å; K38-N40 PolarHBondContact O-N 3.4Å; K38-I41 HydrophobicContact CG-CD1 4.39Å; K38-I41 WeakPolarHBondContact O-CA 3.45Å; K38-I41 WeakPolarHBondContact O-CB 3.27Å; K38-I41 PolarHBondContact O-N 3.32Å; K38-S42 PolarHBondContact O-N 2.84Å
39	E	44.3	Very low	49.2	Very low	119 Å²	119	104.3 Å²	104.3	56%	0.556	54%	0.542	S	S	*	.	H	α-helix	trans	-61.6	-35.8	173.9	-166.2	169.7	-159.4	0	0	110.8	Y35 E36 I41 S42	Y35-E39 PolarHBondContact O-N 2.91Å; E36-E39 PolarHBondContact O-N 3.39Å; E39-I41 PolarHBondContact O-N 2.81Å; E39-S42 PolarHBondContact O-N 2.91Å; E39-S42 VanDerWaalsContact O-N 3.1Å
40	N	45.7	Very low	47.9	Very low	117 Å²	117	105 Å²	105	63%	0.626	55%	0.551	S	S	*	*	H	α-helix	trans	-62.1	-23.8	170.5	-75.4	-34.4	0	0	0	114	E36 K38	E36-N40 PolarHBondContact O-N 3.18Å; K38-N40 PolarHBondContact O-N 3.4Å
41	I	45.9	Very low	46.6	Very low	107 Å²	107	105.8 Å²	105.8	55%	0.549	57%	0.565	S	S	.	*	H	α-helix	trans	-82.3	-29	176.5	-51.8	173	0	0	0	110.7	K38 E39 N43 I44	K38-I41 HydrophobicContact CG-CD1 4.39Å; K38-I41 WeakPolarHBondContact O-CA 3.45Å; K38-I41 WeakPolarHBondContact O-CB 3.27Å; K38-I41 PolarHBondContact O-N 3.32Å; E39-I41 PolarHBondContact O-N 2.81Å; I41-N43 VanDerWaalsContact C-N 3.25Å; I41-N43 PolarHBondContact O-N 2.88Å; I41-I44 HydrophobicContact CG2-CD1 4.01Å; I41-I44 WeakPolarHBondContact O-CD1 3.39Å; I41-I44 VanDerWaalsContact O-CG1 3.31Å; I41-I44 WeakPolarHBondContact O-CG1 3.38Å; I41-I44 PolarHBondContact O-N 3.24Å
42	S	44.5	Very low	45.6	Very low	84 Å²	84	111.9 Å²	111.9	59%	0.587	59%	0.593	S	S	*	*	H	α-helix	trans	-72.8	-16	178.9	-169.3	0	0	0	0	113.8	K38 E39 I44	K38-S42 PolarHBondContact O-N 2.84Å; E39-S42 PolarHBondContact O-N 2.91Å; E39-S42 VanDerWaalsContact O-N 3.1Å; S42-I44 VanDerWaalsContact C-N 3.25Å; S42-I44 PolarHBondContact O-N 3.46Å
43	N	41.7	Very low	44.8	Very low	129 Å²	129	117.4 Å²	117.4	69%	0.69	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	8.8	175.5	-76.7	-26.9	0	0	0	113.4	I41 P45	I41-N43 VanDerWaalsContact C-N 3.25Å; I41-N43 PolarHBondContact O-N 2.88Å; N43-P45 WeakPolarHBondContact O-CD 3.35Å
44	I	39.1	Very low	43.6	Very low	117 Å²	117	118.5 Å²	118.5	60%	0.6	63%	0.628	S	S	*	*	S	Bend	trans	-70.7	117.9	166.9	-60.6	169.7	0	0	0	106.6	I41 S42 C46	I41-I44 HydrophobicContact CG2-CD1 4.01Å; I41-I44 WeakPolarHBondContact O-CD1 3.39Å; I41-I44 VanDerWaalsContact O-CG1 3.31Å; I41-I44 WeakPolarHBondContact O-CG1 3.38Å; I41-I44 PolarHBondContact O-N 3.24Å; S42-I44 VanDerWaalsContact C-N 3.25Å; S42-I44 PolarHBondContact O-N 3.46Å; I44-C46 PolarHBondContact O-N 3.48Å; I44-C46 VanDerWaalsContact O-N 3.1Å
45	P	35.9	Very low	43	Very low	114 Å²	114	122.9 Å²	122.9	74%	0.74	65%	0.648	S	S	*	*			trans	-56.2	122.1	177.9	21.2	-30.3	0	0	0	108.9	N43 D47	N43-P45 WeakPolarHBondContact O-CD 3.35Å; P45-D47 PolarHBondContact O-N 3.11Å; P45-D47 VanDerWaalsContact O-N 3.13Å
46	C	39.4	Very low	42.4	Very low	110 Å²	110	125.6 Å²	125.6	74%	0.743	66%	0.663	S	S	*	*			trans	-66.4	108.7	171.2	-118	0	0	0	0	107.1	I44 E48	I44-C46 PolarHBondContact O-N 3.48Å; I44-C46 VanDerWaalsContact O-N 3.1Å; C46-E48 PolarHBondContact O-N 3.47Å
47	D	38	Very low	41.8	Very low	137 Å²	137	126.8 Å²	126.8	73%	0.733	67%	0.673	S	S	*	*			trans	-56	127.8	163.8	-95	-27.9	0	0	0	107.8	P45 S49	P45-D47 PolarHBondContact O-N 3.11Å; P45-D47 VanDerWaalsContact O-N 3.13Å; D47-S49 PolarHBondContact O-N 2.71Å
48	E	44.6	Very low	41.4	Very low	198 Å²	198	125.7 Å²	125.7	93%	0.925	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	8.8	-171.6	-68.4	-178.8	153.4	0	0	115	C46	C46-E48 PolarHBondContact O-N 3.47Å
49	S	47.1	Very low	41.6	Very low	81 Å²	81	122.2 Å²	122.2	57%	0.566	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	3.3	175.7	57.4	0	0	0	0	115.3	D47 T51	D47-S49 PolarHBondContact O-N 2.71Å; S49-T51 PolarHBondContact O-N 2.87Å
50	C	39.2	Very low	42	Very low	78 Å²	78	121 Å²	121	53%	0.527	65%	0.65	S	S	.	*			trans	-97.8	71.4	-178.1	-145.1	0	0	0	0	112.7	H52	C50-H52 VanDerWaalsContact C-N 3.31Å; C50-H52 PolarHBondContact O-N 3.09Å
51	T	39.2	Very low	42.7	Very low	120 Å²	120	120.9 Å²	120.9	74%	0.736	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	30.6	179.6	55.7	0	0	0	0	114.5	S49	S49-T51 PolarHBondContact O-N 2.87Å
52	H	35.5	Very low	43.3	Very low	170 Å²	170	122.1 Å²	122.1	79%	0.787	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.9	36.4	179.4	-100.6	-51.7	0	0	0	115.4	C50	C50-H52 VanDerWaalsContact C-N 3.31Å; C50-H52 PolarHBondContact O-N 3.09Å
53	F	38.3	Very low	43.7	Very low	159 Å²	159	121 Å²	121	70%	0.697	63%	0.634	S	S	*	*			trans	-104.7	41.8	159.3	-86.5	-81	0	0	0	111.8
54	D	37.8	Very low	44.6	Very low	145 Å²	145	119.8 Å²	119.8	78%	0.775	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	130.5	155	-85.5	-36.5	0	0	0	108
55	Q	39	Very low	45.7	Very low	175 Å²	175	119.2 Å²	119.2	82%	0.818	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	99.5	6.4	168.8	-126.7	94	51.7	0	0	120.4
56	H	38.3	Very low	46.7	Very low	108 Å²	108	114.4 Å²	114.4	50%	0.5	59%	0.586	S	S	.	*			trans	-125.8	64.7	158.4	-73.6	-62.7	0	0	0	110.3	I58 I143	H56-I58 PolarHBondContact O-N 2.92Å; H56-I143 VanDerWaalsContact CD2-CD1 3.41Å; H56-I143 WeakPolarHBondContact CD2-CD1 3.32Å; H56-I143 VanDerWaalsContact CE1-CD1 3.49Å; H56-I143 WeakPolarHBondContact CE1-CD1 3.36Å; H56-I143 WeakPolarHBondContact NE2-CD1 3.46Å
57	D	39.3	Very low	47.5	Very low	156 Å²	156	110.8 Å²	110.8	83%	0.834	56%	0.562	S	S	*	*			trans	-58.3	78.6	146.8	-81.4	-30.1	0	0	0	107	D59	D57-D59 PolarHBondContact O-N 3.33Å
58	I	46.6	Very low	49.1	Very low	84 Å²	84	108.2 Å²	108.2	43%	0.431	55%	0.546	S	S	.	.			trans	-55.2	94	139.8	-65.1	179.2	0	0	0	102.4	H56 I60 M63	H56-I58 PolarHBondContact O-N 2.92Å; I58-I60 WeakPolarHBondContact O-CG1 3.38Å; I58-I60 PolarHBondContact O-N 3.19Å; I58-M63 HydrophobicContact CG2-CE 4.37Å; I58-M63 HydrophobicContact CG2-CG 4.34Å; I58-M63 HydrophobicContact CG2-SD 3.06Å; I58-M63 WeakPolarHBondContact CG2-SD 3.3Å
59	D	54.8	Low	50.1	Low	58 Å²	58	104.3 Å²	104.3	31%	0.31	53%	0.526	S	S	.	.			trans	-60.3	93	-175.7	-177.3	-20	0	0	0	106.7	D57 E61 K62 M63	D57-D59 PolarHBondContact O-N 3.33Å; D59-E61 PolarHBondContact O-N 2.88Å; D59-E61 VanDerWaalsContact O-N 3.14Å; D59-E61 WeakPolarHBondContact OD1-CB 3.45Å; D59-E61 PolarHBondContact OD1-N 3.46Å; D59-K62 HydrophobicContact CB-CB 3.92Å; D59-K62 HydrophobicContact CB-CD 4.11Å; D59-K62 HydrophobicContact CB-CG 4.07Å; D59-K62 WeakPolarHBondContact O-CA 3.5Å; D59-K62 WeakPolarHBondContact O-CB 3.34Å; D59-K62 PolarHBondContact O-N 3.21Å; D59-K62 PolarHBondContact OD1-N 3.43Å; D59-K62 WeakPolarHBondContact OD2-CD 3.42Å; D59-K62 WeakPolarHBondContact OD2-CE 3.26Å; D59-K62 VanDerWaalsContact OD2-CG 3.27Å; D59-K62 WeakPolarHBondContact OD2-CG 3.27Å; D59-K62 IonicContact OD2-NZ 2.61Å; D59-K62 PolarHBondContact OD2-NZ 3.07Å; D59-M63 PolarHBondContact O-N 3.3Å
60	I	52.5	Low	50.6	Low	94 Å²	94	100.8 Å²	100.8	48%	0.482	50%	0.5	S	S	.	.	H	α-helix	trans	-56.5	-33.4	-174.7	-66.1	-179	0	0	0	108.1	I58 M63 K64	I58-I60 WeakPolarHBondContact O-CG1 3.38Å; I58-I60 PolarHBondContact O-N 3.19Å; I60-M63 WeakPolarHBondContact O-CB 3.43Å; I60-M63 PolarHBondContact O-N 3.44Å; I60-K64 HydrophobicContact CG2-CD 4.37Å; I60-K64 WeakPolarHBondContact O-CB 3.45Å; I60-K64 WeakPolarHBondContact O-CG 3.32Å; I60-K64 PolarHBondContact O-N 3.25Å
61	E	59.6	Low	51.7	Low	115 Å²	115	102 Å²	102	54%	0.537	50%	0.497	S	S	.	.	H	α-helix	trans	-67.2	-41.9	175.2	-64.8	-55.8	131.8	0	0	112.2	D59 M63 K64 E65	D59-E61 PolarHBondContact O-N 2.88Å; D59-E61 VanDerWaalsContact O-N 3.14Å; D59-E61 WeakPolarHBondContact OD1-CB 3.45Å; D59-E61 PolarHBondContact OD1-N 3.46Å; E61-M63 VanDerWaalsContact C-N 3.32Å; E61-M63 PolarHBondContact O-N 3.4Å; E61-K64 PolarHBondContact O-N 2.96Å; E61-K64 IonicContact OE1-NZ 2.59Å; E61-K64 PolarHBondContact OE1-NZ 2.98Å; E61-E65 WeakPolarHBondContact O-CB 2.99Å; E61-E65 PolarHBondContact O-N 3.23Å
62	K	58.2	Low	53	Low	133 Å²	133	100.6 Å²	100.6	58%	0.578	48%	0.482	S	S	*	.	H	α-helix	trans	-63.1	-36.5	169.6	-79.8	-175.4	-171.6	101.8	0	113	D59 E65 S66	D59-K62 HydrophobicContact CB-CB 3.92Å; D59-K62 HydrophobicContact CB-CD 4.11Å; D59-K62 HydrophobicContact CB-CG 4.07Å; D59-K62 WeakPolarHBondContact O-CA 3.5Å; D59-K62 WeakPolarHBondContact O-CB 3.34Å; D59-K62 PolarHBondContact O-N 3.21Å; D59-K62 PolarHBondContact OD1-N 3.43Å; D59-K62 WeakPolarHBondContact OD2-CD 3.42Å; D59-K62 WeakPolarHBondContact OD2-CE 3.26Å; D59-K62 VanDerWaalsContact OD2-CG 3.27Å; D59-K62 WeakPolarHBondContact OD2-CG 3.27Å; D59-K62 IonicContact OD2-NZ 2.61Å; D59-K62 PolarHBondContact OD2-NZ 3.07Å; K62-E65 PolarHBondContact O-N 2.69Å; K62-S66 VanDerWaalsContact O-CB 3.29Å; K62-S66 WeakPolarHBondContact O-CB 3.34Å; K62-S66 PolarHBondContact O-N 2.96Å
63	M	53	Low	54.2	Low	60 Å²	60	93.3 Å²	93.3	30%	0.296	45%	0.448	S	S	.	.	H	α-helix	trans	-65.6	-43.8	175.1	-91.1	175	61.5	0	0	111.6	Y35 I58 D59 I60 E61 S66 S67	Y35-M63 HydrophobicContact CD1-CE 4.1Å; Y35-M63 HydrophobicContact CE1-CB 4.22Å; Y35-M63 HydrophobicContact CE1-CE 3.17Å; Y35-M63 HydrophobicContact CE1-CG 4.26Å; Y35-M63 HydrophobicContact CE1-SD 4.45Å; Y35-M63 WeakPolarHBondContact OH-CE 2.98Å; I58-M63 HydrophobicContact CG2-CE 4.37Å; I58-M63 HydrophobicContact CG2-CG 4.34Å; I58-M63 HydrophobicContact CG2-SD 3.06Å; I58-M63 WeakPolarHBondContact CG2-SD 3.3Å; D59-M63 PolarHBondContact O-N 3.3Å; I60-M63 WeakPolarHBondContact O-CB 3.43Å; I60-M63 PolarHBondContact O-N 3.44Å; E61-M63 VanDerWaalsContact C-N 3.32Å; E61-M63 PolarHBondContact O-N 3.4Å; M63-S66 PolarHBondContact O-N 3.25Å; M63-S67 WeakPolarHBondContact O-CB 3.46Å; M63-S67 PolarHBondContact O-N 2.87Å
64	K	60.2	Low	55.3	Low	104 Å²	104	86.9 Å²	86.9	45%	0.452	42%	0.421	S	S	.	.	H	α-helix	trans	-60.6	-46.2	172.5	-74.6	174.2	-175.7	167.5	0	111.6	I60 E61 S66 S67 E68	I60-K64 HydrophobicContact CG2-CD 4.37Å; I60-K64 WeakPolarHBondContact O-CB 3.45Å; I60-K64 WeakPolarHBondContact O-CG 3.32Å; I60-K64 PolarHBondContact O-N 3.25Å; E61-K64 PolarHBondContact O-N 2.96Å; E61-K64 IonicContact OE1-NZ 2.59Å; E61-K64 PolarHBondContact OE1-NZ 2.98Å; K64-S66 VanDerWaalsContact C-N 3.32Å; K64-S66 PolarHBondContact O-N 3.45Å; K64-S67 WeakPolarHBondContact O-CB 3.24Å; K64-S67 PolarHBondContact O-N 3.22Å; K64-E68 PolarHBondContact O-N 3.41Å
65	E	63.7	Low	56.7	Low	104 Å²	104	83.2 Å²	83.2	49%	0.486	40%	0.4	S	S	.	.	H	α-helix	trans	-61.4	-41.7	177.4	-165.9	-162.4	172.2	0	0	111.4	E61 K62 E68 K69	E61-E65 WeakPolarHBondContact O-CB 2.99Å; E61-E65 PolarHBondContact O-N 3.23Å; K62-E65 PolarHBondContact O-N 2.69Å; E65-E68 PolarHBondContact O-N 2.89Å; E65-K69 WeakPolarHBondContact O-CG 3.49Å; E65-K69 PolarHBondContact O-N 3.44Å; E65-K69 WeakPolarHBondContact OE1-CE 3.43Å; E65-K69 IonicContact OE1-NZ 3.99Å; E65-K69 PolarHBondContact OE1-NZ 2.71Å; E65-K69 IonicContact OE2-NZ 2.69Å
66	S	56.1	Low	57.8	Low	14 Å²	14	79.5 Å²	79.5	10%	0.098	38%	0.383	C	S	.	.	H	α-helix	trans	-63.1	-46.2	174.4	179.1	0	0	0	0	111.6	K62 M63 K64 E68 K69 I70 L129	K62-S66 VanDerWaalsContact O-CB 3.29Å; K62-S66 WeakPolarHBondContact O-CB 3.34Å; K62-S66 PolarHBondContact O-N 2.96Å; M63-S66 PolarHBondContact O-N 3.25Å; K64-S66 VanDerWaalsContact C-N 3.32Å; K64-S66 PolarHBondContact O-N 3.45Å; S66-E68 VanDerWaalsContact C-N 3.34Å; S66-E68 PolarHBondContact O-N 2.84Å; S66-K69 PolarHBondContact O-N 2.94Å; S66-I70 WeakPolarHBondContact O-CB 3.49Å; S66-I70 WeakPolarHBondContact O-CG1 3.37Å; S66-I70 PolarHBondContact O-N 3.03Å; S66-L129 WeakPolarHBondContact OG-CD2 2.99Å
67	S	57	Low	58.9	Low	34 Å²	34	74.5 Å²	74.5	24%	0.238	36%	0.36	C	S	.	.	H	α-helix	trans	-57.9	-45.7	176.2	-172.9	0	0	0	0	111.2	Y32 M63 K64 K69 I70 K71	Y32-S67 WeakPolarHBondContact CE1-OG 3.24Å; Y32-S67 PolarHBondContact OH-O 3.44Å; Y32-S67 VanDerWaalsContact OH-O 3.07Å; M63-S67 WeakPolarHBondContact O-CB 3.46Å; M63-S67 PolarHBondContact O-N 2.87Å; K64-S67 WeakPolarHBondContact O-CB 3.24Å; K64-S67 PolarHBondContact O-N 3.22Å; S67-K69 PolarHBondContact O-N 2.84Å; S67-I70 WeakPolarHBondContact O-CB 3.47Å; S67-I70 PolarHBondContact O-N 2.9Å; S67-K71 PolarHBondContact O-N 2.69Å
68	E	70.1	Confident	59.9	Low	82 Å²	82	69.2 Å²	69.2	38%	0.383	34%	0.335	S	S	.	.	H	α-helix	trans	-66.1	-39.3	177.6	-170.5	55.6	-142.5	0	0	111.9	K64 E65 S66 I70 K71 Q72	K64-E68 PolarHBondContact O-N 3.41Å; E65-E68 PolarHBondContact O-N 2.89Å; S66-E68 VanDerWaalsContact C-N 3.34Å; S66-E68 PolarHBondContact O-N 2.84Å; E68-I70 VanDerWaalsContact C-N 3.34Å; E68-I70 PolarHBondContact O-N 3.36Å; E68-K71 WeakPolarHBondContact O-CB 3.5Å; E68-K71 PolarHBondContact O-N 2.94Å; E68-K71 WeakPolarHBondContact OE2-CD 3.38Å; E68-K71 IonicContact OE2-NZ 2.63Å; E68-Q72 WeakPolarHBondContact O-CG 3.37Å; E68-Q72 PolarHBondContact O-N 3.43Å; E68-Q72 PolarHBondContact OE1-NE2 3.44Å
69	K	66.3	Low	60.6	Low	116 Å²	116	72.4 Å²	72.4	50%	0.504	35%	0.346	S	S	.	.	H	α-helix	trans	-61.4	-41.3	173.4	-76.5	171.2	-175.8	165.1	0	112.3	E65 S66 S67 K71 F73	E65-K69 WeakPolarHBondContact O-CG 3.49Å; E65-K69 PolarHBondContact O-N 3.44Å; E65-K69 WeakPolarHBondContact OE1-CE 3.43Å; E65-K69 IonicContact OE1-NZ 3.99Å; E65-K69 PolarHBondContact OE1-NZ 2.71Å; E65-K69 IonicContact OE2-NZ 2.69Å; S66-K69 PolarHBondContact O-N 2.94Å; S67-K69 PolarHBondContact O-N 2.84Å; K69-K71 PolarHBondContact O-N 3.41Å; K69-F73 WeakPolarHBondContact O-CB 3.41Å; K69-F73 PolarHBondContact O-N 2.9Å
70	I	58.4	Low	60.8	Low	7 Å²	7	70.3 Å²	70.3	4%	0.036	34%	0.335	C	S	.	.	H	α-helix	trans	-62.3	-34.4	174.3	-69	168.6	0	0	0	109.5	L28 Y32 S66 S67 E68 F73 N74 L126 L129	L28-I70 HydrophobicContact CB-CG2 4.33Å; L28-I70 HydrophobicContact CD2-CB 4.49Å; L28-I70 HydrophobicContact CD2-CG2 3.37Å; L28-I70 HydrophobicContact CG-CG2 4.3Å; Y32-I70 HydrophobicContact CE1-CG2 4.38Å; Y32-I70 HydrophobicContact CE2-CG2 3.68Å; Y32-I70 VanDerWaalsContact CZ-CG2 3.46Å; Y32-I70 VanDerWaalsContact OH-CB 3.32Å; Y32-I70 WeakPolarHBondContact OH-CB 3.18Å; Y32-I70 WeakPolarHBondContact OH-CG2 3.3Å; Y32-I70 PolarHBondContact OH-O 3.36Å; S66-I70 WeakPolarHBondContact O-CB 3.49Å; S66-I70 WeakPolarHBondContact O-CG1 3.37Å; S66-I70 PolarHBondContact O-N 3.03Å; S67-I70 WeakPolarHBondContact O-CB 3.47Å; S67-I70 PolarHBondContact O-N 2.9Å; E68-I70 VanDerWaalsContact C-N 3.34Å; E68-I70 PolarHBondContact O-N 3.36Å; I70-F73 PolarHBondContact O-N 3.4Å; I70-N74 WeakPolarHBondContact O-CB 3.44Å; I70-N74 PolarHBondContact O-N 2.97Å; I70-L126 HydrophobicContact CG1-CD2 3.97Å; I70-L129 HydrophobicContact CD1-CD1 4.24Å; I70-L129 HydrophobicContact CG1-CD1 4.07Å
71	K	62	Low	61	Low	104 Å²	104	67.2 Å²	67.2	45%	0.452	32%	0.319	S	S	.	.	H	α-helix	trans	-73.9	-45.6	-176.8	-172.6	-178	176.9	-177.4	0	110.2	Y32 S67 E68 K69 F73 N74 I75	Y32-K71 WeakPolarHBondContact OH-CA 3.37Å; Y32-K71 VanDerWaalsContact OH-CB 3.3Å; Y32-K71 WeakPolarHBondContact OH-CB 3.36Å; Y32-K71 PolarHBondContact OH-N 2.95Å; S67-K71 PolarHBondContact O-N 2.69Å; E68-K71 WeakPolarHBondContact O-CB 3.5Å; E68-K71 PolarHBondContact O-N 2.94Å; E68-K71 WeakPolarHBondContact OE2-CD 3.38Å; E68-K71 IonicContact OE2-NZ 2.63Å; K69-K71 PolarHBondContact O-N 3.41Å; K71-F73 VanDerWaalsContact C-N 3.28Å; K71-F73 PolarHBondContact O-N 3.46Å; K71-N74 PolarHBondContact O-N 2.87Å; K71-I75 HydrophobicContact CG-CD1 4.28Å; K71-I75 VanDerWaalsContact O-CG1 3.3Å; K71-I75 WeakPolarHBondContact O-CG1 3.42Å; K71-I75 PolarHBondContact O-N 2.83Å
72	Q	65.5	Low	60.9	Low	91 Å²	91	65 Å²	65	43%	0.425	31%	0.314	S	S	.	.	H	α-helix	trans	-57.6	-42.7	171.7	-66	-57.8	-35.1	0	0	111.3	E68 I75 Q76	E68-Q72 WeakPolarHBondContact O-CG 3.37Å; E68-Q72 PolarHBondContact O-N 3.43Å; E68-Q72 PolarHBondContact OE1-NE2 3.44Å; Q72-I75 PolarHBondContact O-N 3.07Å; Q72-Q76 WeakPolarHBondContact O-CG 3.48Å; Q72-Q76 PolarHBondContact O-N 3.23Å
73	F	62	Low	60.8	Low	16 Å²	16	61.2 Å²	61.2	7%	0.07	30%	0.302	C	S	.	.	H	α-helix	trans	-63.5	-44.5	175.5	-178.1	-104.2	0	0	0	112.2	I24 L28 K69 I70 K71 I75 Q76 L77 G122 V123 L126	I24-F73 HydrophobicContact CG2-CE1 3.82Å; L28-F73 HydrophobicContact CD1-CD1 3.86Å; L28-F73 HydrophobicContact CD1-CE1 4.18Å; K69-F73 WeakPolarHBondContact O-CB 3.41Å; K69-F73 PolarHBondContact O-N 2.9Å; I70-F73 PolarHBondContact O-N 3.4Å; K71-F73 VanDerWaalsContact C-N 3.28Å; K71-F73 PolarHBondContact O-N 3.46Å; F73-I75 VanDerWaalsContact C-N 3.31Å; F73-I75 PolarHBondContact O-N 3.01Å; F73-Q76 PolarHBondContact O-N 3.35Å; F73-L77 HydrophobicContact CD1-CD1 4.08Å; F73-L77 HydrophobicContact CE1-CD1 3.29Å; F73-L77 HydrophobicContact CE2-CD1 4.35Å; F73-L77 HydrophobicContact CZ-CD1 3.48Å; F73-L77 VanDerWaalsContact CZ-CD1 3.48Å; F73-L77 WeakPolarHBondContact O-CB 3.13Å; F73-L77 PolarHBondContact O-N 3Å; F73-G122 VanDerWaalsContact CE2-CA 3.43Å; F73-V123 HydrophobicContact CZ-CG2 4.06Å; F73-L126 HydrophobicContact CD1-CD1 3.55Å; F73-L126 HydrophobicContact CD1-CG 4.21Å; F73-L126 HydrophobicContact CE1-CD1 3.2Å; F73-L126 HydrophobicContact CE1-CG 4.18Å; F73-L126 HydrophobicContact CZ-CD1 3.97Å
74	N	60.6	Low	60.7	Low	24 Å²	24	59.4 Å²	59.4	13%	0.128	29%	0.292	C	S	.	.	H	α-helix	trans	-61.2	-38.8	176.3	-162.9	14.3	0	0	0	112.1	L28 N29 I70 K71 S78	L28-N74 HydrophobicContact CD1-CB 4.24Å; N29-N74 PolarHBondContact OD1-ND2 3.31Å; I70-N74 WeakPolarHBondContact O-CB 3.44Å; I70-N74 PolarHBondContact O-N 2.97Å; K71-N74 PolarHBondContact O-N 2.87Å; N74-S78 WeakPolarHBondContact O-CB 3.17Å; N74-S78 PolarHBondContact O-N 2.78Å; N74-S78 PolarHBondContact O-OG 2.92Å
75	I	68.2	Low	60.3	Low	68 Å²	68	57.1 Å²	57.1	35%	0.349	29%	0.287	S	S	.	.	H	α-helix	trans	-64.5	-47.2	174.5	-68.5	165	0	0	0	110.8	K71 Q72 F73 L77 S78 K79	K71-I75 HydrophobicContact CG-CD1 4.28Å; K71-I75 VanDerWaalsContact O-CG1 3.3Å; K71-I75 WeakPolarHBondContact O-CG1 3.42Å; K71-I75 PolarHBondContact O-N 2.83Å; Q72-I75 PolarHBondContact O-N 3.07Å; F73-I75 VanDerWaalsContact C-N 3.31Å; F73-I75 PolarHBondContact O-N 3.01Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 3.4Å; I75-S78 PolarHBondContact O-N 3.43Å; I75-K79 WeakPolarHBondContact O-CG 3.46Å; I75-K79 PolarHBondContact O-N 2.93Å
76	Q	62.2	Low	59.8	Low	98 Å²	98	56.7 Å²	56.7	46%	0.458	29%	0.288	S	S	.	.	H	α-helix	trans	-61.5	-42.7	178.1	-74.4	-177.1	-4.8	0	0	111.7	Q72 F73 K79 L80	Q72-Q76 WeakPolarHBondContact O-CG 3.48Å; Q72-Q76 PolarHBondContact O-N 3.23Å; F73-Q76 PolarHBondContact O-N 3.35Å; Q76-K79 WeakPolarHBondContact O-CB 3.33Å; Q76-K79 PolarHBondContact O-N 3.12Å; Q76-L80 PolarHBondContact O-N 3.02Å
77	L	60.9	Low	59.5	Low	3 Å²	3	58.5 Å²	58.5	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-66.6	-38.8	179.2	-157.6	156.9	0	0	0	111	F21 I24 F73 I75 K79 L80 I81	F21-L77 HydrophobicContact CB-CD2 3.98Å; F21-L77 HydrophobicContact CD1-CD1 3.8Å; F21-L77 HydrophobicContact CD1-CD2 3.45Å; F21-L77 VanDerWaalsContact CD1-CD2 3.45Å; F21-L77 HydrophobicContact CD1-CG 3.55Å; F21-L77 HydrophobicContact CE1-CD1 4.17Å; F21-L77 HydrophobicContact CE1-CD2 4.26Å; F21-L77 HydrophobicContact CE1-CG 3.9Å; F21-L77 HydrophobicContact CG-CD2 4Å; I24-L77 HydrophobicContact CG2-CD1 3.85Å; F73-L77 HydrophobicContact CD1-CD1 4.08Å; F73-L77 HydrophobicContact CE1-CD1 3.29Å; F73-L77 HydrophobicContact CE2-CD1 4.35Å; F73-L77 HydrophobicContact CZ-CD1 3.48Å; F73-L77 VanDerWaalsContact CZ-CD1 3.48Å; F73-L77 WeakPolarHBondContact O-CB 3.13Å; F73-L77 PolarHBondContact O-N 3Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 3.4Å; L77-K79 VanDerWaalsContact C-N 3.33Å; L77-K79 PolarHBondContact O-N 3.37Å; L77-L80 WeakPolarHBondContact O-CB 3.18Å; L77-L80 PolarHBondContact O-N 3.12Å; L77-I81 HydrophobicContact CD2-CD1 3.93Å; L77-I81 HydrophobicContact CD2-CG1 4.35Å; L77-I81 WeakPolarHBondContact O-CG1 3.37Å; L77-I81 PolarHBondContact O-N 2.95Å; L77-I81 VanDerWaalsContact O-N 3.1Å
78	S	61	Low	59.1	Low	45 Å²	45	63.6 Å²	63.6	32%	0.315	31%	0.314	S	S	.	.	H	α-helix	trans	-65.2	-32.1	172.9	-61.3	0	0	0	0	113.3	N74 I75 P82	N74-S78 WeakPolarHBondContact O-CB 3.17Å; N74-S78 PolarHBondContact O-N 2.78Å; N74-S78 PolarHBondContact O-OG 2.92Å; I75-S78 PolarHBondContact O-N 3.43Å; S78-P82 WeakPolarHBondContact O-CD 3.49Å
79	K	60.3	Low	57.8	Low	151 Å²	151	65.4 Å²	65.4	66%	0.657	33%	0.326	S	S	*	.	H	α-helix	trans	-73.2	-32.3	173.4	-71.5	176.6	180	-179.6	0	112.4	I75 Q76 L77 P82	I75-K79 WeakPolarHBondContact O-CG 3.46Å; I75-K79 PolarHBondContact O-N 2.93Å; Q76-K79 WeakPolarHBondContact O-CB 3.33Å; Q76-K79 PolarHBondContact O-N 3.12Å; L77-K79 VanDerWaalsContact C-N 3.33Å; L77-K79 PolarHBondContact O-N 3.37Å; K79-P82 WeakPolarHBondContact O-CD 3.5Å
80	L	58.4	Low	56.9	Low	13 Å²	13	65.7 Å²	65.7	7%	0.068	33%	0.333	C	S	.	.	H	α-helix	trans	-73.4	-42.2	-179.2	-177.4	91	0	0	0	112.5	F21 Q76 L77 P82 V83 Y84 Y115 I119	F21-L80 HydrophobicContact CE1-CD2 4.06Å; F21-L80 HydrophobicContact CE2-CD2 3.79Å; F21-L80 HydrophobicContact CZ-CD2 3.48Å; F21-L80 VanDerWaalsContact CZ-CD2 3.48Å; Q76-L80 PolarHBondContact O-N 3.02Å; L77-L80 WeakPolarHBondContact O-CB 3.18Å; L77-L80 PolarHBondContact O-N 3.12Å; L80-P82 VanDerWaalsContact C-N 3.29Å; L80-V83 WeakPolarHBondContact O-CA 3.34Å; L80-V83 WeakPolarHBondContact O-CB 3.45Å; L80-V83 PolarHBondContact O-N 2.97Å; L80-Y84 PolarHBondContact O-N 3.36Å; L80-Y115 VanDerWaalsContact CD1-CB 3.49Å; L80-Y115 HydrophobicContact CD1-CD1 4.16Å; L80-Y115 HydrophobicContact CD1-CD2 4.42Å; L80-Y115 HydrophobicContact CD1-CG 3.8Å; L80-I119 HydrophobicContact CD1-CD1 3.64Å; L80-I119 HydrophobicContact CD1-CG1 4.46Å; L80-I119 HydrophobicContact CD2-CD1 3.01Å; L80-I119 HydrophobicContact CD2-CG1 3.79Å; L80-I119 HydrophobicContact CG-CD1 3.84Å
81	I	58.4	Low	56	Low	30 Å²	30	69.6 Å²	69.6	15%	0.154	36%	0.361	C	S	.	.	H	α-helix	trans	-47.8	-49.9	-177	-71.5	164	0	0	0	111	L77 V83 Y84 T85	L77-I81 HydrophobicContact CD2-CD1 3.93Å; L77-I81 HydrophobicContact CD2-CG1 4.35Å; L77-I81 WeakPolarHBondContact O-CG1 3.37Å; L77-I81 PolarHBondContact O-N 2.95Å; L77-I81 VanDerWaalsContact O-N 3.1Å; I81-V83 PolarHBondContact O-N 3.34Å; I81-Y84 WeakPolarHBondContact O-CB 3.39Å; I81-Y84 PolarHBondContact O-N 2.86Å; I81-T85 PolarHBondContact O-N 3.46Å; I81-T85 PolarHBondContact O-OG1 2.89Å
82	P	56.3	Low	54.7	Low	67 Å²	67	69.2 Å²	69.2	44%	0.435	37%	0.37	S	S	.	.	H	α-helix	trans	-61.8	-40.8	174.4	-23.3	31.9	0	0	0	115.2	S78 K79 L80 Y84 T85 N86	S78-P82 WeakPolarHBondContact O-CD 3.49Å; K79-P82 WeakPolarHBondContact O-CD 3.5Å; L80-P82 VanDerWaalsContact C-N 3.29Å; P82-Y84 VanDerWaalsContact C-N 3.26Å; P82-Y84 PolarHBondContact O-N 3.37Å; P82-T85 PolarHBondContact O-N 2.92Å; P82-N86 WeakPolarHBondContact O-CB 3.05Å; P82-N86 PolarHBondContact O-N 3.17Å; P82-N86 PolarHBondContact O-ND2 2.92Å
83	V	56.5	Low	53.5	Low	54 Å²	54	70.7 Å²	70.7	33%	0.327	39%	0.388	S	S	.	.	H	α-helix	trans	-60.3	-42.8	177.6	175.1	0	0	0	0	109.9	L80 I81 N86 L87 Y115	L80-V83 WeakPolarHBondContact O-CA 3.34Å; L80-V83 WeakPolarHBondContact O-CB 3.45Å; L80-V83 PolarHBondContact O-N 2.97Å; I81-V83 PolarHBondContact O-N 3.34Å; V83-N86 PolarHBondContact O-N 3.4Å; V83-L87 WeakPolarHBondContact O-CG 3.44Å; V83-L87 PolarHBondContact O-N 2.71Å; V83-Y115 HydrophobicContact CG1-CD2 4.43Å; V83-Y115 HydrophobicContact CG1-CE2 4.35Å
84	Y	51.2	Low	52.3	Low	22 Å²	22	75.8 Å²	75.8	9%	0.086	42%	0.415	C	S	.	.	H	α-helix	trans	-68.7	-41.2	176	-177.3	-99.5	0	0	0	112.9	H14 V17 L80 I81 P82 N86 L87 K88 F116	H14-Y84 WeakPolarHBondContact CA-OH 3.49Å; H14-Y84 HydrophobicContact CB-CE1 4.34Å; H14-Y84 WeakPolarHBondContact CB-OH 3.42Å; H14-Y84 AromaticContact CE1-CE2 3.78Å; H14-Y84 AromaticContact CE1-CZ 3.97Å; H14-Y84 AromaticContact CG-CZ 3.78Å; H14-Y84 VanDerWaalsContact CG-OH 3.25Å; H14-Y84 AromaticContact ND1-CE2 3.42Å; H14-Y84 WeakPolarHBondContact ND1-CE2 3.2Å; H14-Y84 AromaticContact ND1-CZ 3.19Å; H14-Y84 PolarHBondContact ND1-OH 2.86Å; H14-Y84 PolarHBondContact O-OH 3.34Å; H14-Y84 VanDerWaalsContact O-OH 3.11Å; V17-Y84 WeakPolarHBondContact CB-OH 3.31Å; V17-Y84 HydrophobicContact CG1-CE2 4.35Å; L80-Y84 PolarHBondContact O-N 3.36Å; I81-Y84 WeakPolarHBondContact O-CB 3.39Å; I81-Y84 PolarHBondContact O-N 2.86Å; P82-Y84 VanDerWaalsContact C-N 3.26Å; P82-Y84 PolarHBondContact O-N 3.37Å; Y84-N86 VanDerWaalsContact C-N 3.26Å; Y84-N86 PolarHBondContact O-N 3.34Å; Y84-L87 WeakPolarHBondContact O-CB 3.33Å; Y84-L87 PolarHBondContact O-N 2.59Å; Y84-K88 PolarHBondContact O-N 2.61Å; Y84-F116 HydrophobicContact CD2-CZ 4.13Å; Y84-F116 AromaticContact CE2-CZ 3.93Å; Y84-F116 HydrophobicContact CE2-CZ 3.93Å
85	T	52.1	Low	51.3	Low	57 Å²	57	79.5 Å²	79.5	35%	0.35	44%	0.443	S	S	.	.	H	α-helix	trans	-61.8	-33.5	171.7	-52.3	0	0	0	0	111.9	I81 P82 K88	I81-T85 PolarHBondContact O-N 3.46Å; I81-T85 PolarHBondContact O-OG1 2.89Å; P82-T85 PolarHBondContact O-N 2.92Å; T85-K88 WeakPolarHBondContact O-CB 3.33Å; T85-K88 PolarHBondContact O-N 3.36Å
86	N	51.9	Low	50.1	Low	94 Å²	94	83.6 Å²	83.6	50%	0.503	47%	0.466	S	S	.	.	H	α-helix	trans	-73	-33.4	175.3	-78.8	-35.5	0	0	0	112.6	P82 V83 Y84 K88 L89 N90	P82-N86 WeakPolarHBondContact O-CB 3.05Å; P82-N86 PolarHBondContact O-N 3.17Å; P82-N86 PolarHBondContact O-ND2 2.92Å; V83-N86 PolarHBondContact O-N 3.4Å; Y84-N86 VanDerWaalsContact C-N 3.26Å; Y84-N86 PolarHBondContact O-N 3.34Å; N86-K88 PolarHBondContact O-N 2.91Å; N86-L89 PolarHBondContact O-N 3.47Å; N86-N90 PolarHBondContact O-N 2.63Å
87	L	51.3	Low	49.2	Very low	53 Å²	53	85.7 Å²	85.7	28%	0.277	48%	0.475	S	S	.	.	H	α-helix	trans	-60.7	-32.8	171.7	-73.7	165.5	0	0	0	112.1	V83 Y84 L89 N90 S91 T112	V83-L87 WeakPolarHBondContact O-CG 3.44Å; V83-L87 PolarHBondContact O-N 2.71Å; Y84-L87 WeakPolarHBondContact O-CB 3.33Å; Y84-L87 PolarHBondContact O-N 2.59Å; L87-L89 PolarHBondContact O-N 3.22Å; L87-N90 PolarHBondContact O-N 2.8Å; L87-S91 PolarHBondContact O-N 2.97Å; L87-S91 PolarHBondContact O-OG 2.71Å; L87-T112 HydrophobicContact CD1-CG2 3.72Å
88	K	47.5	Very low	48.8	Very low	140 Å²	140	92.9 Å²	92.9	61%	0.609	51%	0.509	S	S	*	.	H	α-helix	trans	-58.1	-29.6	172.1	-169.8	-177.2	176.2	176.8	0	113.2	Y84 T85 N86	Y84-K88 PolarHBondContact O-N 2.61Å; T85-K88 WeakPolarHBondContact O-CB 3.33Å; T85-K88 PolarHBondContact O-N 3.36Å; N86-K88 PolarHBondContact O-N 2.91Å
89	L	43.7	Very low	48.5	Very low	121 Å²	121	97 Å²	97	63%	0.634	53%	0.528	S	S	*	.	H	α-helix	trans	-87.2	-33.7	-176.7	-70.1	170.3	0	0	0	112.8	N86 L87	N86-L89 PolarHBondContact O-N 3.47Å; L87-L89 PolarHBondContact O-N 3.22Å
90	N	45.9	Very low	48.1	Very low	121 Å²	121	95.1 Å²	95.1	65%	0.647	52%	0.523	S	S	*	.	H	α-helix	trans	-99.1	-2	-170.9	-66.2	-22.4	0	0	0	114.9	N86 L87 C92	N86-N90 PolarHBondContact O-N 2.63Å; L87-N90 PolarHBondContact O-N 2.8Å; N90-C92 VanDerWaalsContact C-N 3.3Å
91	S	40.5	Very low	47.8	Very low	90 Å²	90	96.1 Å²	96.1	63%	0.629	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	6.6	173.9	42.5	0	0	0	0	113.5	L87	L87-S91 PolarHBondContact O-N 2.97Å; L87-S91 PolarHBondContact O-OG 2.71Å
92	C	34.5	Very low	47.3	Very low	95 Å²	95	99.9 Å²	99.9	64%	0.642	55%	0.547	S	S	*	.	S	Bend	trans	-71	140.9	165.2	-143.5	0	0	0	0	109.4	N90 L94	N90-C92 VanDerWaalsContact C-N 3.3Å; C92-L94 PolarHBondContact O-N 3.48Å
93	P	39.7	Very low	47.3	Very low	122 Å²	122	103.9 Å²	103.9	79%	0.792	56%	0.56	S	S	*	*			trans	-70	110.6	-156	28.5	-32.1	0	0	0	111.3	S95	P93-S95 PolarHBondContact O-N 2.82Å
94	L	38.2	Very low	47	Very low	124 Å²	124	105.8 Å²	105.8	65%	0.649	57%	0.565	S	S	*	*			trans	-75.2	110.6	174.2	-85	144.1	0	0	0	109.6	C92	C92-L94 PolarHBondContact O-N 3.48Å
95	S	38.9	Very low	46.9	Very low	101 Å²	101	109.8 Å²	109.8	71%	0.706	59%	0.585	S	S	*	*			trans	-71.3	135.4	171.1	59.1	0	0	0	0	111.4	P93 Q97	P93-S95 PolarHBondContact O-N 2.82Å; S95-Q97 PolarHBondContact O-N 2.88Å
96	N	43.5	Very low	47.1	Very low	155 Å²	155	113.5 Å²	113.5	83%	0.829	60%	0.598	S	S	*	*	S	Bend	trans	56.3	44.7	152.7	-62.7	-3.4	0	0	0	121.1
97	Q	43.6	Very low	47.4	Very low	141 Å²	141	115.6 Å²	115.6	66%	0.659	61%	0.605	S	S	*	*			trans	-139.5	77.7	156.1	-97	-178.5	-16	0	0	111.4	S95 N99 V101	S95-Q97 PolarHBondContact O-N 2.88Å; Q97-N99 PolarHBondContact O-N 3.42Å; Q97-V101 HydrophobicContact CB-CG2 4.35Å; Q97-V101 WeakPolarHBondContact O-CB 3.43Å; Q97-V101 WeakPolarHBondContact O-CG2 3.45Å
98	E	50.8	Low	47.5	Very low	155 Å²	155	119.4 Å²	119.4	72%	0.724	62%	0.616	S	S	*	*	H	α-helix	trans	-63.2	-32.7	-165.5	-74.8	177.8	142.7	0	0	115.9	Q102	E98-Q102 VanDerWaalsContact O-CG 3.25Å; E98-Q102 WeakPolarHBondContact O-CG 3.48Å
99	N	54.5	Low	47.9	Very low	131 Å²	131	116.8 Å²	116.8	70%	0.701	61%	0.612	S	S	*	*	H	α-helix	trans	-92.3	-35.7	-168.5	-85.2	-25.7	0	0	0	115.6	Q97	Q97-N99 PolarHBondContact O-N 3.42Å
100	I	51.8	Low	48.6	Very low	111 Å²	111	114.7 Å²	114.7	57%	0.569	61%	0.605	S	S	*	*	H	α-helix	trans	-79.7	-30.7	178.8	-60.2	175.3	0	0	0	110.2	Q104	I100-Q104 PolarHBondContact O-N 3.34Å
101	V	52.2	Low	49.3	Very low	34 Å²	34	111.2 Å²	111.2	21%	0.206	59%	0.588	C	S	.	*	H	α-helix	trans	-72	-35.8	179.4	177	0	0	0	0	111.7	Q97 Q104 Q105	Q97-V101 HydrophobicContact CB-CG2 4.35Å; Q97-V101 WeakPolarHBondContact O-CB 3.43Å; Q97-V101 WeakPolarHBondContact O-CG2 3.45Å; V101-Q104 PolarHBondContact O-N 2.94Å; V101-Q105 HydrophobicContact CG1-CG 4.02Å; V101-Q105 VanDerWaalsContact O-CB 3.22Å; V101-Q105 WeakPolarHBondContact O-CB 3.42Å; V101-Q105 WeakPolarHBondContact O-CG 3.21Å; V101-Q105 PolarHBondContact O-N 2.85Å
102	Q	49.9	Very low	49.8	Very low	109 Å²	109	108.1 Å²	108.1	51%	0.509	57%	0.565	S	S	.	*	H	α-helix	trans	-65.7	-43.3	179.9	-80.4	179.8	25.6	0	0	113.5	E98 Q105 Q106	E98-Q102 VanDerWaalsContact O-CG 3.25Å; E98-Q102 WeakPolarHBondContact O-CG 3.48Å; Q102-Q105 PolarHBondContact O-N 2.92Å; Q102-Q106 WeakPolarHBondContact O-CB 3.5Å; Q102-Q106 PolarHBondContact O-N 3.46Å
103	Q	54.6	Low	50.9	Low	151 Å²	151	106.9 Å²	106.9	71%	0.706	56%	0.555	S	S	*	*	H	α-helix	trans	-66.6	-43.1	177.2	-72.6	-173.1	8.9	0	0	111.6	Q106 Q107	Q103-Q106 PolarHBondContact O-N 3.02Å; Q103-Q107 WeakPolarHBondContact O-CB 3.4Å; Q103-Q107 PolarHBondContact O-N 3.26Å
104	Q	51.6	Low	52.2	Low	94 Å²	94	106.6 Å²	106.6	44%	0.439	54%	0.543	S	S	.	.	H	α-helix	trans	-61	-48.5	173.7	-76.9	-171.5	27.8	0	0	110.9	I100 V101 Q106 Q107 Y108	I100-Q104 PolarHBondContact O-N 3.34Å; V101-Q104 PolarHBondContact O-N 2.94Å; Q104-Q106 PolarHBondContact O-N 3.35Å; Q104-Q107 PolarHBondContact O-N 3.22Å; Q104-Y108 VanDerWaalsContact C-CD2 3.41Å; Q104-Y108 HydrophobicContact CB-CD2 4.09Å; Q104-Y108 HydrophobicContact CB-CE2 3.84Å; Q104-Y108 HydrophobicContact CG-CE2 4.47Å; Q104-Y108 WeakPolarHBondContact O-CB 3.21Å; Q104-Y108 WeakPolarHBondContact O-CD2 3.48Å; Q104-Y108 PolarHBondContact O-N 2.83Å
105	Q	48.6	Very low	53.2	Low	107 Å²	107	105.9 Å²	105.9	50%	0.5	53%	0.532	S	S	.	.	H	α-helix	trans	-59	-42.1	176.6	-83.8	-177.7	-3.9	0	0	112.7	V101 Q102 Y108 T109	V101-Q105 HydrophobicContact CG1-CG 4.02Å; V101-Q105 VanDerWaalsContact O-CB 3.22Å; V101-Q105 WeakPolarHBondContact O-CB 3.42Å; V101-Q105 WeakPolarHBondContact O-CG 3.21Å; V101-Q105 PolarHBondContact O-N 2.85Å; Q102-Q105 PolarHBondContact O-N 2.92Å; Q105-Y108 PolarHBondContact O-N 2.9Å; Q105-T109 VanDerWaalsContact O-CB 3.27Å; Q105-T109 WeakPolarHBondContact O-CB 3.2Å; Q105-T109 PolarHBondContact O-N 2.95Å; Q105-T109 PolarHBondContact O-OG1 3.32Å
106	Q	56.3	Low	54.1	Low	135 Å²	135	104.9 Å²	104.9	63%	0.631	52%	0.515	S	S	*	.	H	α-helix	trans	-63.2	-45	175.4	-84.4	-172.1	-5.2	0	0	111.7	Q102 Q103 Q104 T109 T110	Q102-Q106 WeakPolarHBondContact O-CB 3.5Å; Q102-Q106 PolarHBondContact O-N 3.46Å; Q103-Q106 PolarHBondContact O-N 3.02Å; Q104-Q106 PolarHBondContact O-N 3.35Å; Q106-T109 PolarHBondContact O-N 3.21Å; Q106-T110 WeakPolarHBondContact O-CB 3.39Å; Q106-T110 PolarHBondContact O-N 3.46Å; Q106-T110 PolarHBondContact O-OG1 3.1Å
107	Q	58.7	Low	55.2	Low	137 Å²	137	101.4 Å²	101.4	64%	0.64	50%	0.497	S	S	*	.	H	α-helix	trans	-63.2	-43.1	177.1	-170.4	178.9	-1.9	0	0	111.3	Q103 Q104 T110 T111	Q103-Q107 WeakPolarHBondContact O-CB 3.4Å; Q103-Q107 PolarHBondContact O-N 3.26Å; Q104-Q107 PolarHBondContact O-N 3.22Å; Q107-T110 PolarHBondContact O-N 3Å; Q107-T111 WeakPolarHBondContact O-CB 3.27Å; Q107-T111 PolarHBondContact O-N 3.23Å; Q107-T111 PolarHBondContact O-OG1 3.28Å
108	Y	53.1	Low	56.5	Low	133 Å²	133	97.7 Å²	97.7	52%	0.522	48%	0.484	S	S	.	.	H	α-helix	trans	-64.5	-43.6	175.9	-73.9	-59.7	0	0	0	112	Q104 Q105 T111 T112	Q104-Y108 VanDerWaalsContact C-CD2 3.41Å; Q104-Y108 HydrophobicContact CB-CD2 4.09Å; Q104-Y108 HydrophobicContact CB-CE2 3.84Å; Q104-Y108 HydrophobicContact CG-CE2 4.47Å; Q104-Y108 WeakPolarHBondContact O-CB 3.21Å; Q104-Y108 WeakPolarHBondContact O-CD2 3.48Å; Q104-Y108 PolarHBondContact O-N 2.83Å; Q105-Y108 PolarHBondContact O-N 2.9Å; Y108-T111 PolarHBondContact O-N 2.93Å; Y108-T112 VanDerWaalsContact O-CB 3.24Å; Y108-T112 WeakPolarHBondContact O-CB 3.29Å; Y108-T112 PolarHBondContact O-N 3.29Å; Y108-T112 PolarHBondContact O-OG1 3.22Å
109	T	54.7	Low	57.3	Low	85 Å²	85	91.3 Å²	91.3	52%	0.521	45%	0.454	S	S	.	.	H	α-helix	trans	-62.3	-47.4	177.7	-56.3	0	0	0	0	110.1	Q105 Q106 T111 T112 T113	Q105-T109 VanDerWaalsContact O-CB 3.27Å; Q105-T109 WeakPolarHBondContact O-CB 3.2Å; Q105-T109 PolarHBondContact O-N 2.95Å; Q105-T109 PolarHBondContact O-OG1 3.32Å; Q106-T109 PolarHBondContact O-N 3.21Å; T109-T111 PolarHBondContact O-N 3.39Å; T109-T112 PolarHBondContact O-N 2.83Å; T109-T113 PolarHBondContact O-N 3.28Å; T109-T113 PolarHBondContact O-OG1 3Å
110	T	59.9	Low	57.7	Low	77 Å²	77	92.4 Å²	92.4	47%	0.472	45%	0.45	S	S	.	.	H	α-helix	trans	-60	-46.9	178.6	-54	0	0	0	0	111.3	Q106 Q107 T112 T113 Q114	Q106-T110 WeakPolarHBondContact O-CB 3.39Å; Q106-T110 PolarHBondContact O-N 3.46Å; Q106-T110 PolarHBondContact O-OG1 3.1Å; Q107-T110 PolarHBondContact O-N 3Å; T110-T112 VanDerWaalsContact C-N 3.32Å; T110-T112 PolarHBondContact O-N 3.45Å; T110-T113 PolarHBondContact O-N 3.37Å; T110-Q114 WeakPolarHBondContact O-CG 3.37Å; T110-Q114 PolarHBondContact O-N 3.34Å
111	T	60.3	Low	58.8	Low	48 Å²	48	93.6 Å²	93.6	29%	0.294	45%	0.451	S	S	.	.	H	α-helix	trans	-62.8	-41.4	178.4	-55.5	0	0	0	0	111	Q107 Y108 T109 Q114 Y115	Q107-T111 WeakPolarHBondContact O-CB 3.27Å; Q107-T111 PolarHBondContact O-N 3.23Å; Q107-T111 PolarHBondContact O-OG1 3.28Å; Y108-T111 PolarHBondContact O-N 2.93Å; T109-T111 PolarHBondContact O-N 3.39Å; T111-Q114 PolarHBondContact O-N 3.38Å; T111-Y115 HydrophobicContact CG2-CD2 3.8Å; T111-Y115 HydrophobicContact CG2-CE2 3.37Å; T111-Y115 WeakPolarHBondContact O-CD2 3.35Å; T111-Y115 PolarHBondContact O-N 3.02Å
112	T	50.5	Low	59.7	Low	25 Å²	25	92.4 Å²	92.4	15%	0.153	45%	0.446	C	S	.	.	H	α-helix	trans	-65.3	-44.1	178	-59.1	0	0	0	0	111.5	L87 Y108 T109 T110 Y115 F116	L87-T112 HydrophobicContact CD1-CG2 3.72Å; Y108-T112 VanDerWaalsContact O-CB 3.24Å; Y108-T112 WeakPolarHBondContact O-CB 3.29Å; Y108-T112 PolarHBondContact O-N 3.29Å; Y108-T112 PolarHBondContact O-OG1 3.22Å; T109-T112 PolarHBondContact O-N 2.83Å; T110-T112 VanDerWaalsContact C-N 3.32Å; T110-T112 PolarHBondContact O-N 3.45Å; T112-Y115 WeakPolarHBondContact O-CB 3.5Å; T112-Y115 PolarHBondContact O-N 3.48Å; T112-F116 HydrophobicContact CG2-CD2 3.61Å; T112-F116 HydrophobicContact CG2-CE2 3.38Å; T112-F116 WeakPolarHBondContact O-CD2 3.43Å; T112-F116 PolarHBondContact O-N 2.94Å
113	T	58.2	Low	60.7	Low	69 Å²	69	88.8 Å²	88.8	42%	0.423	43%	0.431	S	S	.	.	H	α-helix	trans	-60.7	-44.8	174.4	-57.9	0	0	0	0	111.4	T109 T110 Y115 F116 D117	T109-T113 PolarHBondContact O-N 3.28Å; T109-T113 PolarHBondContact O-OG1 3Å; T110-T113 PolarHBondContact O-N 3.37Å; T113-Y115 VanDerWaalsContact C-N 3.3Å; T113-Y115 PolarHBondContact O-N 3.06Å; T113-F116 PolarHBondContact O-N 3.37Å; T113-F116 VanDerWaalsContact O-N 3.14Å; T113-D117 PolarHBondContact O-N 3.14Å
114	Q	66.3	Low	61.4	Low	117 Å²	117	83.8 Å²	83.8	55%	0.547	41%	0.409	S	S	.	.	H	α-helix	trans	-60.9	-39.9	176.3	-73.9	175.9	-5.9	0	0	112.4	T110 T111 T118	T110-Q114 WeakPolarHBondContact O-CG 3.37Å; T110-Q114 PolarHBondContact O-N 3.34Å; T111-Q114 PolarHBondContact O-N 3.38Å; Q114-T118 WeakPolarHBondContact O-CB 3.43Å; Q114-T118 PolarHBondContact O-N 3.08Å; Q114-T118 PolarHBondContact O-OG1 3.43Å
115	Y	58.7	Low	62.6	Low	108 Å²	108	83.3 Å²	83.3	42%	0.424	41%	0.409	S	S	.	.	H	α-helix	trans	-64.5	-45.2	173	-78.8	-49.9	0	0	0	111.8	L80 V83 T111 T112 T113 D117 T118 I119	L80-Y115 VanDerWaalsContact CD1-CB 3.49Å; L80-Y115 HydrophobicContact CD1-CD1 4.16Å; L80-Y115 HydrophobicContact CD1-CD2 4.42Å; L80-Y115 HydrophobicContact CD1-CG 3.8Å; V83-Y115 HydrophobicContact CG1-CD2 4.43Å; V83-Y115 HydrophobicContact CG1-CE2 4.35Å; T111-Y115 HydrophobicContact CG2-CD2 3.8Å; T111-Y115 HydrophobicContact CG2-CE2 3.37Å; T111-Y115 WeakPolarHBondContact O-CD2 3.35Å; T111-Y115 PolarHBondContact O-N 3.02Å; T112-Y115 WeakPolarHBondContact O-CB 3.5Å; T112-Y115 PolarHBondContact O-N 3.48Å; T113-Y115 VanDerWaalsContact C-N 3.3Å; T113-Y115 PolarHBondContact O-N 3.06Å; Y115-D117 PolarHBondContact O-N 2.83Å; Y115-T118 WeakPolarHBondContact O-CB 3.06Å; Y115-T118 PolarHBondContact O-N 3.45Å; Y115-I119 WeakPolarHBondContact O-CD1 3.43Å; Y115-I119 WeakPolarHBondContact O-CG1 3.37Å; Y115-I119 PolarHBondContact O-N 3.01Å
116	F	59.2	Low	63.9	Low	80 Å²	80	79.1 Å²	79.1	35%	0.351	39%	0.39	S	S	.	.	H	α-helix	trans	-57.5	-44.4	174.3	-82.7	-61.7	0	0	0	113.1	Y84 T112 T113 T118 I119 Y120	Y84-F116 HydrophobicContact CD2-CZ 4.13Å; Y84-F116 AromaticContact CE2-CZ 3.93Å; Y84-F116 HydrophobicContact CE2-CZ 3.93Å; T112-F116 HydrophobicContact CG2-CD2 3.61Å; T112-F116 HydrophobicContact CG2-CE2 3.38Å; T112-F116 WeakPolarHBondContact O-CD2 3.43Å; T112-F116 PolarHBondContact O-N 2.94Å; T113-F116 PolarHBondContact O-N 3.37Å; T113-F116 VanDerWaalsContact O-N 3.14Å; F116-T118 VanDerWaalsContact C-N 3.32Å; F116-T118 PolarHBondContact O-N 3.01Å; F116-I119 HydrophobicContact CD1-CD1 4.25Å; F116-I119 PolarHBondContact O-N 3.33Å; F116-Y120 VanDerWaalsContact O-CB 3.26Å; F116-Y120 WeakPolarHBondContact O-CB 3.38Å; F116-Y120 PolarHBondContact O-N 2.69Å
117	D	65.7	Low	64.5	Low	83 Å²	83	78.9 Å²	78.9	44%	0.444	39%	0.387	S	S	.	.	H	α-helix	trans	-62.8	-40.8	176.4	-73.2	-20.4	0	0	0	111.9	T113 Y115 Y120 K121	T113-D117 PolarHBondContact O-N 3.14Å; Y115-D117 PolarHBondContact O-N 2.83Å; D117-Y120 PolarHBondContact O-N 2.93Å; D117-K121 WeakPolarHBondContact O-CB 3.42Å; D117-K121 VanDerWaalsContact O-CG 3.27Å; D117-K121 WeakPolarHBondContact O-CG 3.2Å; D117-K121 PolarHBondContact O-N 3.3Å
118	T	71.6	Confident	65.4	Low	63 Å²	63	81 Å²	81	39%	0.387	39%	0.389	S	S	.	.	H	α-helix	trans	-63.9	-45.7	178.2	-58.7	0	0	0	0	111	Q114 Y115 F116 K121 G122	Q114-T118 WeakPolarHBondContact O-CB 3.43Å; Q114-T118 PolarHBondContact O-N 3.08Å; Q114-T118 PolarHBondContact O-OG1 3.43Å; Y115-T118 WeakPolarHBondContact O-CB 3.06Å; Y115-T118 PolarHBondContact O-N 3.45Å; F116-T118 VanDerWaalsContact C-N 3.32Å; F116-T118 PolarHBondContact O-N 3.01Å; T118-K121 PolarHBondContact O-N 2.91Å; T118-G122 PolarHBondContact O-N 3.45Å
119	I	66.4	Low	66.6	Low	20 Å²	20	77 Å²	77	10%	0.103	38%	0.377	C	S	.	.	H	α-helix	trans	-62.1	-48.6	175.8	-63.7	150.4	0	0	0	110.4	F21 L80 Y115 F116 K121 G122 V123	F21-I119 HydrophobicContact CE1-CD1 4.38Å; F21-I119 HydrophobicContact CE1-CG1 4.39Å; F21-I119 HydrophobicContact CE1-CG2 3.46Å; F21-I119 VanDerWaalsContact CE1-CG2 3.46Å; F21-I119 HydrophobicContact CZ-CD1 3.84Å; F21-I119 HydrophobicContact CZ-CG1 4.33Å; F21-I119 HydrophobicContact CZ-CG2 3.71Å; L80-I119 HydrophobicContact CD1-CD1 3.64Å; L80-I119 HydrophobicContact CD1-CG1 4.46Å; L80-I119 HydrophobicContact CD2-CD1 3.01Å; L80-I119 HydrophobicContact CD2-CG1 3.79Å; L80-I119 HydrophobicContact CG-CD1 3.84Å; Y115-I119 WeakPolarHBondContact O-CD1 3.43Å; Y115-I119 WeakPolarHBondContact O-CG1 3.37Å; Y115-I119 PolarHBondContact O-N 3.01Å; F116-I119 HydrophobicContact CD1-CD1 4.25Å; F116-I119 PolarHBondContact O-N 3.33Å; I119-K121 VanDerWaalsContact C-N 3.27Å; I119-K121 PolarHBondContact O-N 3.13Å; I119-G122 CarbonylContact O-C 3.43Å; I119-G122 WeakPolarHBondContact O-CA 3.31Å; I119-G122 PolarHBondContact O-N 3.14Å; I119-V123 HydrophobicContact CG2-CG2 4.09Å; I119-V123 WeakPolarHBondContact O-CG2 3.33Å; I119-V123 PolarHBondContact O-N 3.26Å
120	Y	63.3	Low	67.6	Low	154 Å²	154	77.2 Å²	77.2	60%	0.604	37%	0.373	S	S	*	.	H	α-helix	trans	-58.6	-43.1	-177.9	-179.2	-97.6	0	0	0	110.9	F116 D117 V123 N124	F116-Y120 VanDerWaalsContact O-CB 3.26Å; F116-Y120 WeakPolarHBondContact O-CB 3.38Å; F116-Y120 PolarHBondContact O-N 2.69Å; D117-Y120 PolarHBondContact O-N 2.93Å; Y120-V123 PolarHBondContact O-N 3.44Å; Y120-N124 WeakPolarHBondContact CE1-ND2 3.47Å; Y120-N124 PolarHBondContact O-N 3.1Å
121	K	74.6	Confident	68.4	Low	137 Å²	137	79.8 Å²	79.8	60%	0.596	38%	0.378	S	S	*	.	H	α-helix	trans	-60.2	-46.2	171.7	-74	171.8	-176.7	174.6	0	111.8	D117 T118 I119 N124 N125	D117-K121 WeakPolarHBondContact O-CB 3.42Å; D117-K121 VanDerWaalsContact O-CG 3.27Å; D117-K121 WeakPolarHBondContact O-CG 3.2Å; D117-K121 PolarHBondContact O-N 3.3Å; T118-K121 PolarHBondContact O-N 2.91Å; I119-K121 VanDerWaalsContact C-N 3.27Å; I119-K121 PolarHBondContact O-N 3.13Å; K121-N124 PolarHBondContact O-N 2.98Å; K121-N125 PolarHBondContact O-N 3.31Å
122	G	72.6	Confident	69.4	Low	9 Å²	9	79.7 Å²	79.7	9%	0.093	38%	0.383	C	S	.	.	H	α-helix	trans	-63.5	-40.8	178.1	0	0	0	0	0	113.5	F73 T118 I119 N124 N125 L126	F73-G122 VanDerWaalsContact CE2-CA 3.43Å; T118-G122 PolarHBondContact O-N 3.45Å; I119-G122 CarbonylContact O-C 3.43Å; I119-G122 WeakPolarHBondContact O-CA 3.31Å; I119-G122 PolarHBondContact O-N 3.14Å; G122-N124 VanDerWaalsContact C-N 3.35Å; G122-N124 PolarHBondContact O-N 3.12Å; G122-N125 WeakPolarHBondContact O-CB 3.44Å; G122-N125 PolarHBondContact O-N 3.47Å; G122-L126 PolarHBondContact O-N 3.48Å
123	V	69.3	Low	70.6	Confident	32 Å²	32	80.5 Å²	80.5	19%	0.194	39%	0.386	C	S	.	.	H	α-helix	trans	-61.9	-41.8	173.3	171.7	0	0	0	0	111.1	I24 F73 I119 Y120 N125 L126 K127	I24-V123 HydrophobicContact CD1-CG2 3.85Å; F73-V123 HydrophobicContact CZ-CG2 4.06Å; I119-V123 HydrophobicContact CG2-CG2 4.09Å; I119-V123 WeakPolarHBondContact O-CG2 3.33Å; I119-V123 PolarHBondContact O-N 3.26Å; Y120-V123 PolarHBondContact O-N 3.44Å; V123-N125 VanDerWaalsContact C-N 3.34Å; V123-L126 PolarHBondContact O-N 3.37Å; V123-K127 WeakPolarHBondContact O-CG 3.4Å; V123-K127 PolarHBondContact O-N 2.88Å
124	N	70.5	Confident	71.7	Confident	46 Å²	46	82.2 Å²	82.2	25%	0.246	39%	0.389	C	S	.	.	H	α-helix	trans	-67.1	-35.1	176.2	-77	-22.3	0	0	0	112.6	Y120 K121 G122 K127 R128	Y120-N124 WeakPolarHBondContact CE1-ND2 3.47Å; Y120-N124 PolarHBondContact O-N 3.1Å; K121-N124 PolarHBondContact O-N 2.98Å; G122-N124 VanDerWaalsContact C-N 3.35Å; G122-N124 PolarHBondContact O-N 3.12Å; N124-K127 PolarHBondContact O-N 2.88Å; N124-R128 WeakPolarHBondContact O-CG 3.42Å; N124-R128 PolarHBondContact O-N 2.69Å; N124-R128 VanDerWaalsContact O-N 3.12Å
125	N	77.3	Confident	72.6	Confident	84 Å²	84	83 Å²	83	45%	0.449	39%	0.391	S	S	.	.	H	α-helix	trans	-65.9	-42.3	172.5	-71.4	-19.3	0	0	0	111.6	K121 G122 V123 K127 R128 L129	K121-N125 PolarHBondContact O-N 3.31Å; G122-N125 WeakPolarHBondContact O-CB 3.44Å; G122-N125 PolarHBondContact O-N 3.47Å; V123-N125 VanDerWaalsContact C-N 3.34Å; N125-K127 PolarHBondContact O-N 3.39Å; N125-R128 WeakPolarHBondContact O-CB 3.44Å; N125-R128 PolarHBondContact O-N 2.7Å; N125-R128 VanDerWaalsContact O-N 3.14Å; N125-L129 PolarHBondContact O-N 3.36Å
126	L	74.2	Confident	73.9	Confident	19 Å²	19	82 Å²	82	10%	0.099	39%	0.392	C	S	.	.	H	α-helix	trans	-59.5	-44.7	173.3	-76.6	177.6	0	0	0	112.3	I24 L28 I70 F73 G122 V123 R128 L129 I130	I24-L126 HydrophobicContact CG2-CD1 3.92Å; L28-L126 HydrophobicContact CD1-CD1 4.44Å; L28-L126 HydrophobicContact CD2-CD1 3.88Å; L28-L126 HydrophobicContact CD2-CD2 3.5Å; L28-L126 VanDerWaalsContact CD2-CD2 3.5Å; L28-L126 HydrophobicContact CD2-CG 4.36Å; I70-L126 HydrophobicContact CG1-CD2 3.97Å; F73-L126 HydrophobicContact CD1-CD1 3.55Å; F73-L126 HydrophobicContact CD1-CG 4.21Å; F73-L126 HydrophobicContact CE1-CD1 3.2Å; F73-L126 HydrophobicContact CE1-CG 4.18Å; F73-L126 HydrophobicContact CZ-CD1 3.97Å; G122-L126 PolarHBondContact O-N 3.48Å; V123-L126 PolarHBondContact O-N 3.37Å; L126-R128 VanDerWaalsContact C-N 3.25Å; L126-R128 PolarHBondContact O-N 2.82Å; L126-L129 PolarHBondContact O-N 3.09Å; L126-L129 VanDerWaalsContact O-N 3.13Å; L126-I130 WeakPolarHBondContact O-CG1 3.49Å; L126-I130 PolarHBondContact O-N 3.29Å
127	K	70.7	Confident	75	Confident	130 Å²	130	84.6 Å²	84.6	57%	0.565	41%	0.405	S	S	*	.	H	α-helix	trans	-57	-39.8	174.8	-74.5	175.5	-179.1	176.4	0	112.1	V123 N124 N125 K131	V123-K127 WeakPolarHBondContact O-CG 3.4Å; V123-K127 PolarHBondContact O-N 2.88Å; N124-K127 PolarHBondContact O-N 2.88Å; N125-K127 PolarHBondContact O-N 3.39Å; K127-K131 PolarHBondContact O-N 3.34Å; K127-K131 VanDerWaalsContact O-N 3.16Å
128	R	76.3	Confident	75.9	Confident	183 Å²	183	84.9 Å²	84.9	69%	0.691	41%	0.407	S	S	*	.	H	α-helix	trans	-66.1	-41.9	176.2	-70.3	172.1	-179.2	-177	-1.1	111.9	N124 N125 L126 K131 A132	N124-R128 WeakPolarHBondContact O-CG 3.42Å; N124-R128 PolarHBondContact O-N 2.69Å; N124-R128 VanDerWaalsContact O-N 3.12Å; N125-R128 WeakPolarHBondContact O-CB 3.44Å; N125-R128 PolarHBondContact O-N 2.7Å; N125-R128 VanDerWaalsContact O-N 3.14Å; L126-R128 VanDerWaalsContact C-N 3.25Å; L126-R128 PolarHBondContact O-N 2.82Å; R128-K131 PolarHBondContact O-N 3Å; R128-A132 PolarHBondContact O-N 2.74Å
129	L	79.2	Confident	76.6	Confident	48 Å²	48	84.5 Å²	84.5	25%	0.251	41%	0.407	S	S	.	.	H	α-helix	trans	-65.4	-44.1	177.6	-73.2	171.4	0	0	0	112.1	S66 I70 N125 L126 K131 A132 N133	S66-L129 WeakPolarHBondContact OG-CD2 2.99Å; I70-L129 HydrophobicContact CD1-CD1 4.24Å; I70-L129 HydrophobicContact CG1-CD1 4.07Å; N125-L129 PolarHBondContact O-N 3.36Å; L126-L129 PolarHBondContact O-N 3.09Å; L126-L129 VanDerWaalsContact O-N 3.13Å; L129-K131 VanDerWaalsContact C-N 3.31Å; L129-K131 PolarHBondContact O-N 3.41Å; L129-A132 WeakPolarHBondContact O-CB 3.48Å; L129-A132 PolarHBondContact O-N 3.13Å; L129-A132 VanDerWaalsContact O-N 3.09Å; L129-N133 PolarHBondContact O-N 3.16Å
130	I	74.4	Confident	77.4	Confident	89 Å²	89	88.6 Å²	88.6	46%	0.456	43%	0.428	S	S	.	.	H	α-helix	trans	-57.2	-47	175.1	-68.8	166	0	0	0	110.3	L126 A132 N133 E134	L126-I130 WeakPolarHBondContact O-CG1 3.49Å; L126-I130 PolarHBondContact O-N 3.29Å; I130-A132 VanDerWaalsContact C-N 3.3Å; I130-A132 PolarHBondContact O-N 2.88Å; I130-N133 WeakPolarHBondContact O-CB 3.46Å; I130-N133 PolarHBondContact O-N 3.04Å; I130-N133 VanDerWaalsContact O-N 3.17Å; I130-E134 WeakPolarHBondContact O-CG 3.47Å; I130-E134 PolarHBondContact O-N 3.42Å
131	K	78.3	Confident	78.3	Confident	131 Å²	131	87.6 Å²	87.6	57%	0.57	43%	0.429	S	S	*	.	H	α-helix	trans	-63.5	-33.4	177	-170.3	173	-176	174	0	113.2	K127 R128 L129 K135	K127-K131 PolarHBondContact O-N 3.34Å; K127-K131 VanDerWaalsContact O-N 3.16Å; R128-K131 PolarHBondContact O-N 3Å; L129-K131 VanDerWaalsContact C-N 3.31Å; L129-K131 PolarHBondContact O-N 3.41Å; K131-K135 WeakPolarHBondContact O-CG 3.44Å; K131-K135 PolarHBondContact O-N 3.3Å
132	A	79.4	Confident	78.9	Confident	47 Å²	47	87.3 Å²	87.3	39%	0.388	43%	0.428	S	S	.	.	H	α-helix	trans	-68.5	-42.9	173.9	0	0	0	0	0	111.2	R128 L129 I130 K135 L136	R128-A132 PolarHBondContact O-N 2.74Å; L129-A132 WeakPolarHBondContact O-CB 3.48Å; L129-A132 PolarHBondContact O-N 3.13Å; L129-A132 VanDerWaalsContact O-N 3.09Å; I130-A132 VanDerWaalsContact C-N 3.3Å; I130-A132 PolarHBondContact O-N 2.88Å; A132-K135 WeakPolarHBondContact O-CB 3.49Å; A132-K135 PolarHBondContact O-N 3.16Å; A132-L136 PolarHBondContact O-N 3.35Å
133	N	77.3	Confident	79.4	Confident	42 Å²	42	89 Å²	89	23%	0.225	43%	0.434	C	S	.	.	H	α-helix	trans	-62.2	-42	175.5	-76.6	-11.3	0	0	0	112.3	H31 L129 I130 K135 L136 Q137	H31-N133 PolarHBondContact CE1-ND2 3.3Å; H31-N133 VanDerWaalsContact CE1-ND2 3.29Å; H31-N133 PolarHBondContact NE2-ND2 3.19Å; L129-N133 PolarHBondContact O-N 3.16Å; I130-N133 WeakPolarHBondContact O-CB 3.46Å; I130-N133 PolarHBondContact O-N 3.04Å; I130-N133 VanDerWaalsContact O-N 3.17Å; N133-K135 VanDerWaalsContact C-N 3.28Å; N133-K135 PolarHBondContact O-N 3.19Å; N133-L136 PolarHBondContact O-N 2.91Å; N133-L136 VanDerWaalsContact O-N 3.16Å; N133-Q137 PolarHBondContact O-N 3.17Å
134	E	80.6	Confident	80	Confident	105 Å²	105	90.9 Å²	90.9	49%	0.491	45%	0.449	S	S	.	.	H	α-helix	trans	-57.5	-41.1	173.8	-73.4	171.7	174.6	0	0	111.8	I130 Q137 N138	I130-E134 WeakPolarHBondContact O-CG 3.47Å; I130-E134 PolarHBondContact O-N 3.42Å; E134-Q137 PolarHBondContact O-N 2.83Å; E134-N138 WeakPolarHBondContact O-CB 3.45Å; E134-N138 VanDerWaalsContact O-CG 3.24Å; E134-N138 PolarHBondContact O-N 3.32Å; E134-N138 PolarHBondContact O-ND2 3.09Å; E134-N138 VanDerWaalsContact O-ND2 3.07Å
135	K	84.8	Confident	80.5	Confident	134 Å²	134	93.8 Å²	93.8	58%	0.583	46%	0.461	S	S	*	.	H	α-helix	trans	-66	-40.3	176	-73.1	-179.9	177	-172.4	0	112.5	K131 A132 N133 N138 S139	K131-K135 WeakPolarHBondContact O-CG 3.44Å; K131-K135 PolarHBondContact O-N 3.3Å; A132-K135 WeakPolarHBondContact O-CB 3.49Å; A132-K135 PolarHBondContact O-N 3.16Å; N133-K135 VanDerWaalsContact C-N 3.28Å; N133-K135 PolarHBondContact O-N 3.19Å; K135-N138 PolarHBondContact O-N 2.97Å; K135-S139 WeakPolarHBondContact O-CB 3.37Å; K135-S139 PolarHBondContact O-N 2.77Å; K135-S139 PolarHBondContact O-OG 3.4Å
136	L	86	Confident	80.8	Confident	87 Å²	87	96.9 Å²	96.9	46%	0.455	47%	0.467	S	S	.	.	H	α-helix	trans	-64.2	-45	176.2	-73	172	0	0	0	110.9	A132 N133 N138 S139 L140	A132-L136 PolarHBondContact O-N 3.35Å; N133-L136 PolarHBondContact O-N 2.91Å; N133-L136 VanDerWaalsContact O-N 3.16Å; L136-N138 PolarHBondContact O-N 3.46Å; L136-S139 WeakPolarHBondContact O-CB 3.49Å; L136-S139 PolarHBondContact O-N 3.47Å; L136-S139 VanDerWaalsContact O-N 3.09Å; L136-L140 WeakPolarHBondContact O-CB 3.33Å; L136-L140 PolarHBondContact O-N 3.44Å
137	Q	82.2	Confident	81	Confident	134 Å²	134	99.6 Å²	99.6	63%	0.626	49%	0.485	S	S	*	.	H	α-helix	trans	-60.5	-44	176.6	-174	176.7	-5.2	0	0	111.9	N133 E134 S139 L140 Q141	N133-Q137 PolarHBondContact O-N 3.17Å; E134-Q137 PolarHBondContact O-N 2.83Å; Q137-S139 VanDerWaalsContact C-N 3.29Å; Q137-S139 PolarHBondContact O-N 3.07Å; Q137-L140 PolarHBondContact O-N 2.98Å; Q137-Q141 PolarHBondContact O-N 3.45Å
138	N	84.7	Confident	81.4	Confident	88 Å²	88	97.4 Å²	97.4	47%	0.471	49%	0.486	S	S	.	.	H	α-helix	trans	-61.9	-37.2	174.4	-73.7	-33.8	0	0	0	112.3	E134 K135 L136 K142	E134-N138 WeakPolarHBondContact O-CB 3.45Å; E134-N138 VanDerWaalsContact O-CG 3.24Å; E134-N138 PolarHBondContact O-N 3.32Å; E134-N138 PolarHBondContact O-ND2 3.09Å; E134-N138 VanDerWaalsContact O-ND2 3.07Å; K135-N138 PolarHBondContact O-N 2.97Å; L136-N138 PolarHBondContact O-N 3.46Å; N138-K142 WeakPolarHBondContact O-CG 3.1Å; N138-K142 PolarHBondContact O-N 2.77Å; N138-K142 VanDerWaalsContact O-N 3.13Å
139	S	86.5	Confident	81.7	Confident	55 Å²	55	94.1 Å²	94.1	39%	0.385	48%	0.482	S	S	.	.	H	α-helix	trans	-69.9	-42.1	177.5	-55.2	0	0	0	0	111	K135 L136 Q137 Q141 K142 I143	K135-S139 WeakPolarHBondContact O-CB 3.37Å; K135-S139 PolarHBondContact O-N 2.77Å; K135-S139 PolarHBondContact O-OG 3.4Å; L136-S139 WeakPolarHBondContact O-CB 3.49Å; L136-S139 PolarHBondContact O-N 3.47Å; L136-S139 VanDerWaalsContact O-N 3.09Å; Q137-S139 VanDerWaalsContact C-N 3.29Å; Q137-S139 PolarHBondContact O-N 3.07Å; S139-Q141 VanDerWaalsContact C-N 3.34Å; S139-Q141 PolarHBondContact O-N 2.84Å; S139-K142 WeakPolarHBondContact O-CB 3.32Å; S139-K142 PolarHBondContact O-N 3.38Å; S139-K142 VanDerWaalsContact O-N 3.17Å; S139-I143 WeakPolarHBondContact O-CG1 3.45Å; S139-I143 PolarHBondContact O-N 3.08Å
140	L	82.3	Confident	81.6	Confident	106 Å²	106	97.5 Å²	97.5	56%	0.555	50%	0.499	S	S	*	.	H	α-helix	trans	-61.9	-41.1	175	-172.1	65.7	0	0	0	112	L136 Q137 K142 I143 S144	L136-L140 WeakPolarHBondContact O-CB 3.33Å; L136-L140 PolarHBondContact O-N 3.44Å; Q137-L140 PolarHBondContact O-N 2.98Å; L140-K142 VanDerWaalsContact C-N 3.32Å; L140-K142 PolarHBondContact O-N 3.46Å; L140-I143 PolarHBondContact O-N 2.91Å; L140-S144 WeakPolarHBondContact O-CB 3.08Å; L140-S144 PolarHBondContact O-N 3.29Å
141	Q	82.7	Confident	81.5	Confident	134 Å²	134	97.4 Å²	97.4	63%	0.626	50%	0.504	S	S	*	.	H	α-helix	trans	-62.9	-38.7	174.9	-172.1	178.9	-1.2	0	0	111.8	Q137 S139 S144 H145	Q137-Q141 PolarHBondContact O-N 3.45Å; S139-Q141 VanDerWaalsContact C-N 3.34Å; S139-Q141 PolarHBondContact O-N 2.84Å; Q141-S144 PolarHBondContact O-N 3.08Å; Q141-H145 WeakPolarHBondContact O-CB 3.41Å; Q141-H145 PolarHBondContact O-N 3.31Å
142	K	86.7	Confident	80.9	Confident	130 Å²	130	95.8 Å²	95.8	57%	0.565	50%	0.502	S	S	*	.	H	α-helix	trans	-65	-44.5	173.8	-73.2	176.8	-178.5	-175.6	0	112.1	N138 S139 L140 H145 Y146	N138-K142 WeakPolarHBondContact O-CG 3.1Å; N138-K142 PolarHBondContact O-N 2.77Å; N138-K142 VanDerWaalsContact O-N 3.13Å; S139-K142 WeakPolarHBondContact O-CB 3.32Å; S139-K142 PolarHBondContact O-N 3.38Å; S139-K142 VanDerWaalsContact O-N 3.17Å; L140-K142 VanDerWaalsContact C-N 3.32Å; L140-K142 PolarHBondContact O-N 3.46Å; K142-H145 WeakPolarHBondContact O-CB 3.25Å; K142-H145 PolarHBondContact O-N 3.35Å; K142-Y146 HydrophobicContact CB-CE2 4.18Å; K142-Y146 WeakPolarHBondContact O-CD2 3.43Å; K142-Y146 PolarHBondContact O-N 3.25Å
143	I	84.9	Confident	80.2	Confident	45 Å²	45	97.6 Å²	97.6	23%	0.231	51%	0.505	C	S	.	.	H	α-helix	trans	-60.1	-49.3	175.9	-63.7	157.6	0	0	0	109.5	H56 S139 L140 H145 Y146 T147	H56-I143 VanDerWaalsContact CD2-CD1 3.41Å; H56-I143 WeakPolarHBondContact CD2-CD1 3.32Å; H56-I143 VanDerWaalsContact CE1-CD1 3.49Å; H56-I143 WeakPolarHBondContact CE1-CD1 3.36Å; H56-I143 WeakPolarHBondContact NE2-CD1 3.46Å; S139-I143 WeakPolarHBondContact O-CG1 3.45Å; S139-I143 PolarHBondContact O-N 3.08Å; L140-I143 PolarHBondContact O-N 2.91Å; I143-H145 VanDerWaalsContact C-N 3.25Å; I143-H145 PolarHBondContact O-N 3.38Å; I143-Y146 CarbonylContact O-C 3.59Å; I143-Y146 PolarHBondContact O-N 3.18Å; I143-T147 HydrophobicContact CG2-CG2 4.16Å; I143-T147 WeakPolarHBondContact O-CG2 3.48Å; I143-T147 PolarHBondContact O-N 3.48Å; I143-T147 PolarHBondContact O-OG1 2.85Å; I143-T147 VanDerWaalsContact O-OG1 3.08Å
144	S	81.8	Confident	79.6	Confident	72 Å²	72	100.1 Å²	100.1	50%	0.503	53%	0.525	S	S	.	.	H	α-helix	trans	-54.5	-43.6	176.6	-179.4	0	0	0	0	111.7	L140 Q141 T147 S148	L140-S144 WeakPolarHBondContact O-CB 3.08Å; L140-S144 PolarHBondContact O-N 3.29Å; Q141-S144 PolarHBondContact O-N 3.08Å; S144-T147 VanDerWaalsContact C-OG1 3.31Å; S144-T147 VanDerWaalsContact CA-OG1 3.25Å; S144-T147 WeakPolarHBondContact CA-OG1 3.46Å; S144-T147 PolarHBondContact O-N 3.28Å; S144-T147 PolarHBondContact O-OG1 3.17Å; S144-S148 WeakPolarHBondContact O-CB 3.43Å; S144-S148 PolarHBondContact O-N 2.77Å
145	H	80.3	Confident	78.5	Confident	106 Å²	106	102.8 Å²	102.8	49%	0.491	54%	0.538	S	S	.	.	H	α-helix	trans	-62.7	-47.9	173.8	-178.3	59	0	0	0	112.4	Q141 K142 I143 T147 S148 L149	Q141-H145 WeakPolarHBondContact O-CB 3.41Å; Q141-H145 PolarHBondContact O-N 3.31Å; K142-H145 WeakPolarHBondContact O-CB 3.25Å; K142-H145 PolarHBondContact O-N 3.35Å; I143-H145 VanDerWaalsContact C-N 3.25Å; I143-H145 PolarHBondContact O-N 3.38Å; H145-T147 VanDerWaalsContact C-N 3.33Å; H145-T147 PolarHBondContact O-N 2.93Å; H145-S148 PolarHBondContact O-N 3.13Å; H145-S148 VanDerWaalsContact O-N 3.14Å; H145-S148 PolarHBondContact O-OG 2.94Å; H145-L149 WeakPolarHBondContact O-CG 3.43Å; H145-L149 PolarHBondContact O-N 2.92Å; H145-L149 VanDerWaalsContact O-N 3.16Å
146	Y	83.2	Confident	77	Confident	149 Å²	149	100.1 Å²	100.1	58%	0.584	53%	0.53	S	S	*	.	H	α-helix	trans	-61.4	-40.7	176.5	-67.5	-48.8	0	0	0	112.4	K142 I143 S148 L149 L150	K142-Y146 HydrophobicContact CB-CE2 4.18Å; K142-Y146 WeakPolarHBondContact O-CD2 3.43Å; K142-Y146 PolarHBondContact O-N 3.25Å; I143-Y146 CarbonylContact O-C 3.59Å; I143-Y146 PolarHBondContact O-N 3.18Å; Y146-S148 VanDerWaalsContact C-N 3.29Å; Y146-S148 PolarHBondContact O-N 3.5Å; Y146-L149 WeakPolarHBondContact O-CB 3.39Å; Y146-L149 PolarHBondContact O-N 2.76Å; Y146-L149 VanDerWaalsContact O-N 3.1Å; Y146-L150 PolarHBondContact O-N 3.04Å
147	T	78.3	Confident	75.5	Confident	76 Å²	76	100 Å²	100	47%	0.466	54%	0.537	S	S	.	.	H	α-helix	trans	-65.7	-32.9	175.8	53.1	0	0	0	0	112.1	I143 S144 H145 L149 L150	I143-T147 HydrophobicContact CG2-CG2 4.16Å; I143-T147 WeakPolarHBondContact O-CG2 3.48Å; I143-T147 PolarHBondContact O-N 3.48Å; I143-T147 PolarHBondContact O-OG1 2.85Å; I143-T147 VanDerWaalsContact O-OG1 3.08Å; S144-T147 VanDerWaalsContact C-OG1 3.31Å; S144-T147 VanDerWaalsContact CA-OG1 3.25Å; S144-T147 WeakPolarHBondContact CA-OG1 3.46Å; S144-T147 PolarHBondContact O-N 3.28Å; S144-T147 PolarHBondContact O-OG1 3.17Å; H145-T147 VanDerWaalsContact C-N 3.33Å; H145-T147 PolarHBondContact O-N 2.93Å; T147-L149 PolarHBondContact O-N 3.25Å; T147-L150 HydrophobicContact CG2-CD1 4.31Å; T147-L150 WeakPolarHBondContact O-CB 3.23Å; T147-L150 PolarHBondContact O-N 2.74Å
148	S	78.5	Confident	74.3	Confident	85 Å²	85	99.2 Å²	99.2	59%	0.594	54%	0.541	S	S	*	.	H	α-helix	trans	-70.4	-21.2	174.2	74.2	0	0	0	0	113.5	S144 H145 Y146	S144-S148 WeakPolarHBondContact O-CB 3.43Å; S144-S148 PolarHBondContact O-N 2.77Å; H145-S148 PolarHBondContact O-N 3.13Å; H145-S148 VanDerWaalsContact O-N 3.14Å; H145-S148 PolarHBondContact O-OG 2.94Å; Y146-S148 VanDerWaalsContact C-N 3.29Å; Y146-S148 PolarHBondContact O-N 3.5Å
149	L	82.8	Confident	73.1	Confident	114 Å²	114	98.4 Å²	98.4	60%	0.597	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-10.5	174.5	-64.9	173.2	0	0	0	112.7	H145 Y146 T147	H145-L149 WeakPolarHBondContact O-CG 3.43Å; H145-L149 PolarHBondContact O-N 2.92Å; H145-L149 VanDerWaalsContact O-N 3.16Å; Y146-L149 WeakPolarHBondContact O-CB 3.39Å; Y146-L149 PolarHBondContact O-N 2.76Å; Y146-L149 VanDerWaalsContact O-N 3.1Å; T147-L149 PolarHBondContact O-N 3.25Å
150	L	77.4	Confident	71.8	Confident	119 Å²	119	100.6 Å²	100.6	62%	0.623	55%	0.549	S	S	*	.	S	Bend	trans	-64.1	133.2	175.2	-69.5	173.7	0	0	0	108.7	Y146 T147 N152	Y146-L150 PolarHBondContact O-N 3.04Å; T147-L150 HydrophobicContact CG2-CD1 4.31Å; T147-L150 WeakPolarHBondContact O-CB 3.23Å; T147-L150 PolarHBondContact O-N 2.74Å; L150-N152 PolarHBondContact O-N 3.07Å
151	P	72.9	Confident	71	Confident	87 Å²	87	100.7 Å²	100.7	57%	0.565	55%	0.549	S	S	*	.			trans	-59.4	138.4	175.1	24.7	-32.1	0	0	0	109.2	L153	P151-L153 HydrophobicContact CG-CD2 4.26Å; P151-L153 PolarHBondContact O-N 2.91Å
152	N	66.8	Low	69.7	Low	96 Å²	96	96.1 Å²	96.1	51%	0.513	53%	0.528	S	S	.	.			trans	-65.9	102.1	171.8	-173.2	5.6	0	0	0	108.9	L150 S154 E155	L150-N152 PolarHBondContact O-N 3.07Å; N152-S154 VanDerWaalsContact CG-OG 3.28Å; N152-S154 PolarHBondContact ND2-OG 3.43Å; N152-S154 PolarHBondContact O-N 2.91Å; N152-S154 WeakPolarHBondContact OD1-CB 3.11Å; N152-S154 PolarHBondContact OD1-N 3.41Å; N152-S154 VanDerWaalsContact OD1-N 3.16Å; N152-S154 PolarHBondContact OD1-OG 2.71Å; N152-E155 PolarHBondContact O-N 3.38Å
153	L	63.6	Low	68.5	Low	86 Å²	86	93.6 Å²	93.6	45%	0.45	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-70.9	-13.2	-178.6	-63.7	176.6	0	0	0	112.4	P151 E155 N156 L162	P151-L153 HydrophobicContact CG-CD2 4.26Å; P151-L153 PolarHBondContact O-N 2.91Å; L153-E155 PolarHBondContact O-N 3.08Å; L153-N156 PolarHBondContact O-N 3.46Å; L153-L162 HydrophobicContact CB-CD1 4.01Å; L153-L162 HydrophobicContact CD1-CD1 4.24Å; L153-L162 HydrophobicContact CD2-CD1 4.15Å; L153-L162 HydrophobicContact CG-CD1 4.35Å
154	S	65.4	Low	67.7	Low	94 Å²	94	97.7 Å²	97.7	66%	0.657	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-66.8	-22.6	176.5	77.3	0	0	0	0	113.1	N152	N152-S154 VanDerWaalsContact CG-OG 3.28Å; N152-S154 PolarHBondContact ND2-OG 3.43Å; N152-S154 PolarHBondContact O-N 2.91Å; N152-S154 WeakPolarHBondContact OD1-CB 3.11Å; N152-S154 PolarHBondContact OD1-N 3.41Å; N152-S154 VanDerWaalsContact OD1-N 3.16Å; N152-S154 PolarHBondContact OD1-OG 2.71Å
155	E	57.1	Low	66.8	Low	161 Å²	161	99 Å²	99	75%	0.752	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-95.5	-11	-179.6	-67.1	-177.1	-163.4	0	0	113.2	N152 L153	N152-E155 PolarHBondContact O-N 3.38Å; L153-E155 PolarHBondContact O-N 3.08Å
156	N	52.9	Low	66.1	Low	78 Å²	78	99 Å²	99	42%	0.417	54%	0.543	S	S	.	.			trans	-102.4	70.1	177.9	-102.7	-20.7	0	0	0	110.6	L153 T158	L153-N156 PolarHBondContact O-N 3.46Å; N156-T158 PolarHBondContact O-N 3.1Å; N156-T158 VanDerWaalsContact O-N 3.07Å
157	S	54.8	Low	65.4	Low	86 Å²	86	95.6 Å²	95.6	60%	0.601	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	5	172.6	101.3	0	0	0	0	113.5
158	T	57	Low	64.7	Low	117 Å²	117	95.1 Å²	95.1	72%	0.718	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	0.6	-178.9	17.2	0	0	0	0	114.1	N156 P160	N156-T158 PolarHBondContact O-N 3.1Å; N156-T158 VanDerWaalsContact O-N 3.07Å; T158-P160 WeakPolarHBondContact O-CD 3.27Å
159	I	58.9	Low	63.5	Low	70 Å²	70	95.9 Å²	95.9	36%	0.359	54%	0.538	S	S	.	.			trans	-94.8	106.1	174	-58.6	176.6	0	0	0	108.1	I161 L162	I159-I161 HydrophobicContact CG2-CB 4.25Å; I159-I161 PolarHBondContact O-N 3.42Å; I159-I161 VanDerWaalsContact O-N 3.11Å; I159-L162 HydrophobicContact CB-CB 4.4Å; I159-L162 HydrophobicContact CB-CD1 4.05Å; I159-L162 HydrophobicContact CD1-CD1 4.07Å; I159-L162 HydrophobicContact CG2-CD1 4.36Å; I159-L162 WeakPolarHBondContact O-CB 3.34Å; I159-L162 PolarHBondContact O-N 3.2Å
160	P	59.2	Low	62.1	Low	101 Å²	101	99.1 Å²	99.1	66%	0.656	55%	0.547	S	S	*	.	H	α-helix	trans	-58.7	-30.8	-173.9	-23.6	34.1	0	0	0	113.7	T158 L162 D163 E164	T158-P160 WeakPolarHBondContact O-CD 3.27Å; P160-L162 VanDerWaalsContact C-N 3.29Å; P160-L162 PolarHBondContact O-N 3.29Å; P160-D163 PolarHBondContact O-N 3.16Å; P160-E164 PolarHBondContact O-N 3.35Å; P160-E164 VanDerWaalsContact O-N 3.08Å
161	I	65.4	Low	60.6	Low	109 Å²	109	98.2 Å²	98.2	56%	0.559	55%	0.551	S	S	*	*	H	α-helix	trans	-64.1	-33	177.4	-69.9	170	0	0	0	111.5	I159 I165	I159-I161 HydrophobicContact CG2-CB 4.25Å; I159-I161 PolarHBondContact O-N 3.42Å; I159-I161 VanDerWaalsContact O-N 3.11Å; I161-I165 HydrophobicContact CG2-CD1 3.78Å; I161-I165 HydrophobicContact CG2-CG1 4.49Å; I161-I165 WeakPolarHBondContact O-CD1 3.47Å; I161-I165 VanDerWaalsContact O-CG1 3.23Å; I161-I165 WeakPolarHBondContact O-CG1 3.42Å; I161-I165 PolarHBondContact O-N 2.92Å
162	L	55.6	Low	59.4	Low	37 Å²	37	99.4 Å²	99.4	19%	0.194	56%	0.561	C	S	.	*	H	α-helix	trans	-71.3	-42.4	178.2	-95.5	158.6	0	0	0	111.7	L153 I159 P160 E164 I165 L166	L153-L162 HydrophobicContact CB-CD1 4.01Å; L153-L162 HydrophobicContact CD1-CD1 4.24Å; L153-L162 HydrophobicContact CD2-CD1 4.15Å; L153-L162 HydrophobicContact CG-CD1 4.35Å; I159-L162 HydrophobicContact CB-CB 4.4Å; I159-L162 HydrophobicContact CB-CD1 4.05Å; I159-L162 HydrophobicContact CD1-CD1 4.07Å; I159-L162 HydrophobicContact CG2-CD1 4.36Å; I159-L162 WeakPolarHBondContact O-CB 3.34Å; I159-L162 PolarHBondContact O-N 3.2Å; P160-L162 VanDerWaalsContact C-N 3.29Å; P160-L162 PolarHBondContact O-N 3.29Å; L162-E164 VanDerWaalsContact C-N 3.29Å; L162-E164 PolarHBondContact O-N 3.3Å; L162-I165 PolarHBondContact O-N 2.92Å; L162-L166 WeakPolarHBondContact O-CB 3.43Å; L162-L166 VanDerWaalsContact O-CG 3.27Å; L162-L166 WeakPolarHBondContact O-CG 3.44Å; L162-L166 PolarHBondContact O-N 3.23Å
163	D	62	Low	58.2	Low	77 Å²	77	99.3 Å²	99.3	41%	0.412	57%	0.568	S	S	.	*	H	α-helix	trans	-63.1	-38.1	175	-80.2	-16.7	0	0	0	111.5	P160 S167	P160-D163 PolarHBondContact O-N 3.16Å; D163-S167 WeakPolarHBondContact O-CB 3.45Å; D163-S167 PolarHBondContact O-N 3.41Å; D163-S167 PolarHBondContact O-OG 2.63Å
164	E	67.3	Low	57.1	Low	132 Å²	132	100.3 Å²	100.3	62%	0.617	58%	0.582	S	S	*	*	H	α-helix	trans	-64.8	-44.4	176.8	-170.7	174.4	-176.5	0	0	112.1	P160 L162 S168	P160-E164 PolarHBondContact O-N 3.35Å; P160-E164 VanDerWaalsContact O-N 3.08Å; L162-E164 VanDerWaalsContact C-N 3.29Å; L162-E164 PolarHBondContact O-N 3.3Å; E164-S168 WeakPolarHBondContact O-CB 3.32Å; E164-S168 PolarHBondContact O-N 3.14Å; E164-S168 VanDerWaalsContact O-N 3.08Å; E164-S168 PolarHBondContact O-OG 3.4Å
165	I	64.6	Low	56	Low	98 Å²	98	101.1 Å²	101.1	50%	0.503	59%	0.588	S	S	.	*	H	α-helix	trans	-67.6	-47.6	177.2	-67	166.6	0	0	0	111.1	I161 L162 S167 S168 N169	I161-I165 HydrophobicContact CG2-CD1 3.78Å; I161-I165 HydrophobicContact CG2-CG1 4.49Å; I161-I165 WeakPolarHBondContact O-CD1 3.47Å; I161-I165 VanDerWaalsContact O-CG1 3.23Å; I161-I165 WeakPolarHBondContact O-CG1 3.42Å; I161-I165 PolarHBondContact O-N 2.92Å; L162-I165 PolarHBondContact O-N 2.92Å; I165-S167 PolarHBondContact O-N 3.43Å; I165-S168 PolarHBondContact O-N 3.05Å; I165-N169 PolarHBondContact O-N 3.41Å
166	L	63.6	Low	55.1	Low	106 Å²	106	100.4 Å²	100.4	56%	0.555	60%	0.595	S	S	*	*	H	α-helix	trans	-67.8	-34.9	-178.3	-70.3	170.9	0	0	0	112.6	L162	L162-L166 WeakPolarHBondContact O-CB 3.43Å; L162-L166 VanDerWaalsContact O-CG 3.27Å; L162-L166 WeakPolarHBondContact O-CG 3.44Å; L162-L166 PolarHBondContact O-N 3.23Å
167	S	69	Low	54.8	Low	78 Å²	78	105.9 Å²	105.9	55%	0.545	64%	0.639	S	S	.	*	H	α-helix	trans	-73.3	-35.8	176.7	-60	0	0	0	0	112.2	D163 I165 N169 K170	D163-S167 WeakPolarHBondContact O-CB 3.45Å; D163-S167 PolarHBondContact O-N 3.41Å; D163-S167 PolarHBondContact O-OG 2.63Å; I165-S167 PolarHBondContact O-N 3.43Å; S167-N169 VanDerWaalsContact C-N 3.29Å; S167-N169 PolarHBondContact O-N 2.94Å; S167-K170 PolarHBondContact O-N 3.16Å
168	S	64.2	Low	54.8	Low	66 Å²	66	106.9 Å²	106.9	46%	0.462	64%	0.641	S	S	.	*	H	α-helix	trans	-61.9	-36.8	177.2	-64.4	0	0	0	0	111.9	E164 I165 K170 S171	E164-S168 WeakPolarHBondContact O-CB 3.32Å; E164-S168 PolarHBondContact O-N 3.14Å; E164-S168 VanDerWaalsContact O-N 3.08Å; E164-S168 PolarHBondContact O-OG 3.4Å; I165-S168 PolarHBondContact O-N 3.05Å; S168-K170 VanDerWaalsContact C-N 3.25Å; S168-K170 PolarHBondContact O-N 3.11Å; S168-S171 PolarHBondContact O-N 3.07Å; S168-S171 PolarHBondContact O-OG 3.42Å
169	N	53.5	Low	54.7	Low	101 Å²	101	106.3 Å²	106.3	54%	0.54	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.5	-16.1	177.7	-81.7	-0.5	0	0	0	114.8	I165 S167 S171	I165-N169 PolarHBondContact O-N 3.41Å; S167-N169 VanDerWaalsContact C-N 3.29Å; S167-N169 PolarHBondContact O-N 2.94Å; N169-S171 VanDerWaalsContact C-N 3.34Å
170	K	52.3	Low	54.5	Low	183 Å²	183	108.3 Å²	108.3	80%	0.796	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-9.7	174.6	-77.7	-172.9	177.2	178	0	113.8	S167 S168	S167-K170 PolarHBondContact O-N 3.16Å; S168-K170 VanDerWaalsContact C-N 3.25Å; S168-K170 PolarHBondContact O-N 3.11Å
171	S	47.5	Very low	54.2	Low	100 Å²	100	108.8 Å²	108.8	70%	0.699	65%	0.652	S	S	*	*	S	Bend	trans	-94.4	4.3	-165.7	62	0	0	0	0	116	S168 N169	S168-S171 PolarHBondContact O-N 3.07Å; S168-S171 PolarHBondContact O-OG 3.42Å; N169-S171 VanDerWaalsContact C-N 3.34Å
172	S	47.4	Very low	53.5	Low	111 Å²	111	108.8 Å²	108.8	78%	0.776	66%	0.658	S	S	*	*			trans	-124.2	58.3	176.1	48.9	0	0	0	0	112.8
173	S	41.9	Very low	53.4	Low	94 Å²	94	113.5 Å²	113.5	66%	0.657	69%	0.689	S	S	*	*	S	Bend	trans	-135.1	114.3	154.2	66	0	0	0	0	109.8
174	S	40.3	Very low	52.8	Low	108 Å²	108	116.1 Å²	116.1	76%	0.755	71%	0.709	S	S	*	*			trans	47	118.5	159.4	57.2	0	0	0	0	117.1
175	S	42	Very low	51.7	Low	111 Å²	111	114.9 Å²	114.9	78%	0.776	72%	0.716	S	S	*	*				-167.5	107.2	76.7	-63.1	0	0	0	0	110.2
176	T	38.4	Very low	50.6	Low	145 Å²	145	116.3 Å²	116.3	89%	0.89	73%	0.733	S	S	*	*			trans	-84.3	105.5	151.7	30.8	0	0	0	0	107.7
177	S	47.1	Very low	49.4	Very low	193 Å²	193	117.3 Å²	117.3	100%	1.35	75%	0.75	S	S	*	*			trans	-145.2	0	156.3	-70.1	0	0	0	0	107.5

Retrieved 177 of 177 residues in 34.5 ms (Link to these results)

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