A0A077ZFN4_TRITR Loading...

Cytochrome c oxidase subunit 5A, mitochondrial

Component of the cytochrome c oxidase, the last enzyme in the mitochondrial electron transport chain which drives oxidative phosphorylation. The respiratory chain contains 3 multisubunit complexes succinate dehydrogenase (complex II, CII), ubiquinol-cytochrome c oxidoreductase (cytochrome b-c1 complex, complex III, CIII) and cytochrome c oxidase (complex IV, CIV), that cooperate to transfer electrons derived from NADH and succinate to molecular oxygen, creating an electrochemical gradient over the inner membrane that drives transmembrane transport and the ATP synthase. Cytochrome c oxidase is the component of the respiratory chain that catalyzes the reduction of oxygen to water. Electrons originating from reduced cytochrome c in the intermembrane space (IMS) are transferred via the dinuclear copper A center (CU(A)) of subunit 2 and heme A of subunit 1 to the active site in subunit 1, a binuclear center (BNC) formed by heme A3 and copper B (CU(B)). The BNC reduces molecular oxygen to 2 water molecules using 4 electrons from cytochrome c in the IMS and 4 protons from the mitochondrial matrix.

AlphaFold DB , UniProt , Accession A0A077ZFN4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 172 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	46.6	Very low	58.3	Low	234 Å²	234	157.4 Å²	157.4	100%	1.153	88%	0.883	S	S	*	*				0	114.7	0	-71.7	-176.9	-178.6	0	0	107.3
2	F	48.8	Very low	58.7	Low	218 Å²	218	157.3 Å²	157.3	96%	0.956	88%	0.878	S	S	*	*			trans	-83.5	113.1	-167.8	-73.9	-97.3	0	0	0	110.1	A4	F2-A4 PolarHBondContact O-N 3.38Å
3	N	49	Very low	58.9	Low	160 Å²	160	160.8 Å²	160.8	86%	0.856	88%	0.878	S	S	*	*			trans	-88.5	105.2	171.1	-90.3	-13.5	0	0	0	109.4	L5	N3-L5 PolarHBondContact O-N 3.12Å
4	A	50.9	Low	59	Low	102 Å²	102	166.7 Å²	166.7	84%	0.843	88%	0.881	S	S	*	*			trans	-76.7	103.3	170.6	0	0	0	0	0	109.4	F2	F2-A4 PolarHBondContact O-N 3.38Å
5	L	61.3	Low	59.2	Low	168 Å²	168	163.4 Å²	163.4	88%	0.88	88%	0.877	S	S	*	*			trans	-94	102	167.6	-82.9	164.8	0	0	0	108.6	N3 A7	N3-L5 PolarHBondContact O-N 3.12Å; L5-A7 PolarHBondContact O-N 3.04Å
6	A	60.3	Low	59.4	Low	102 Å²	102	159.3 Å²	159.3	84%	0.843	87%	0.873	S	S	*	*			trans	-68.8	110.2	174.8	0	0	0	0	0	110.2
7	A	66.2	Low	59.4	Low	89 Å²	89	152.9 Å²	152.9	74%	0.736	85%	0.852	S	S	*	*			trans	-87.7	133.4	172.1	0	0	0	0	0	110.4	L5	L5-A7 PolarHBondContact O-N 3.04Å
8	P	65.6	Low	59.5	Low	127 Å²	127	151.8 Å²	151.8	83%	0.825	85%	0.852	S	S	*	*			trans	-71.9	129.3	-176.2	25.2	-31.5	0	0	0	112.8	R10	P8-R10 PolarHBondContact O-N 3.46Å
9	L	65.7	Low	59.3	Low	178 Å²	178	152.6 Å²	152.6	93%	0.932	85%	0.854	S	S	*	*			trans	-64.2	111.7	176.1	-126.9	86.8	0	0	0	110.4	S11	L9-S11 PolarHBondContact O-N 3.08Å
10	R	62.9	Low	58.7	Low	241 Å²	241	151.4 Å²	151.4	91%	0.909	85%	0.854	S	S	*	*			trans	-79.2	107.3	177.6	-138.2	175.8	-171.5	-151.5	2.8	109.5	P8 L12	P8-R10 PolarHBondContact O-N 3.46Å; R10-L12 PolarHBondContact O-N 3.45Å
11	S	64.1	Low	58.8	Low	112 Å²	112	152 Å²	152	78%	0.783	85%	0.854	S	S	*	*			trans	-67	108.9	178.1	-178.4	0	0	0	0	111.1	L9 K13	L9-S11 PolarHBondContact O-N 3.08Å; S11-K13 PolarHBondContact O-N 2.96Å
12	L	63.1	Low	59.5	Low	157 Å²	157	144.9 Å²	144.9	82%	0.822	83%	0.833	S	S	*	*			trans	-84.1	100.4	178.8	-141.9	78.7	0	0	0	109	R10 R14	R10-L12 PolarHBondContact O-N 3.45Å; L12-R14 PolarHBondContact O-N 3.3Å
13	K	61.5	Low	60.1	Low	202 Å²	202	139.2 Å²	139.2	88%	0.878	82%	0.82	S	S	*	*			trans	-63.7	104.8	172	-75.8	-174	176.7	-175.3	0	109.3	S11 S15	S11-K13 PolarHBondContact O-N 2.96Å; K13-S15 PolarHBondContact O-N 3.02Å
14	R	60	Low	60.7	Low	244 Å²	244	141.4 Å²	141.4	92%	0.921	82%	0.822	S	S	*	*			trans	-70.2	111.7	169.5	-73.3	177.6	112.2	175.3	2.9	108.5	L12 A16	L12-R14 PolarHBondContact O-N 3.3Å; R14-A16 PolarHBondContact O-N 2.94Å
15	S	61.4	Low	61.2	Low	117 Å²	117	143.4 Å²	143.4	82%	0.818	82%	0.817	S	S	*	*			trans	-67.1	113.9	167.3	172.2	0	0	0	0	108.7	K13 G17	K13-S15 PolarHBondContact O-N 3.02Å; S15-G17 PolarHBondContact O-N 2.93Å
16	A	62.2	Low	61.2	Low	98 Å²	98	138.5 Å²	138.5	81%	0.81	81%	0.807	S	S	*	*			trans	-74.6	100.8	169.5	0	0	0	0	0	107.7	R14	R14-A16 PolarHBondContact O-N 2.94Å
17	G	60.6	Low	61.4	Low	50 Å²	50	143.1 Å²	143.1	52%	0.515	80%	0.803	S	S	.	*	P	Polyproline II helix	trans	-62.1	151.7	170.7	0	0	0	0	0	110.9	S15 L19	S15-G17 PolarHBondContact O-N 2.93Å; G17-L19 PolarHBondContact O-N 3.14Å
18	P	60.2	Low	61.2	Low	133 Å²	133	143.6 Å²	143.6	86%	0.864	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-61	123.4	-178.8	23.7	-31.3	0	0	0	110.1	C20	P18-C20 PolarHBondContact O-N 2.7Å; P18-C20 VanDerWaalsContact O-N 3.15Å
19	L	55.6	Low	61.2	Low	168 Å²	168	146.4 Å²	146.4	88%	0.88	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-57.9	116.7	172.3	-72.8	162.9	0	0	0	108.1	G17 L21	G17-L19 PolarHBondContact O-N 3.14Å; L19-L21 PolarHBondContact O-N 2.71Å
20	C	48.9	Very low	61.2	Low	127 Å²	127	142.8 Å²	142.8	86%	0.858	79%	0.79	S	S	*	*			trans	-61.5	100.9	171.9	-174.3	0	0	0	0	107.9	P18 A22	P18-C20 PolarHBondContact O-N 2.7Å; P18-C20 VanDerWaalsContact O-N 3.15Å; C20-A22 VanDerWaalsContact C-N 3.33Å; C20-A22 PolarHBondContact O-N 3.01Å
21	L	59.5	Low	61	Low	164 Å²	164	135.1 Å²	135.1	86%	0.859	77%	0.773	S	S	*	*			trans	-70.5	92.6	177.7	-166.1	74.8	0	0	0	107	L19 S23	L19-L21 PolarHBondContact O-N 2.71Å; L21-S23 PolarHBondContact O-N 3.31Å
22	A	61	Low	60.9	Low	85 Å²	85	137.2 Å²	137.2	70%	0.702	78%	0.776	S	S	*	*			trans	-58	105.4	174.5	0	0	0	0	0	108.3	C20 K24	C20-A22 VanDerWaalsContact C-N 3.33Å; C20-A22 PolarHBondContact O-N 3.01Å; A22-K24 PolarHBondContact O-N 3.05Å
23	S	61.3	Low	60.9	Low	99 Å²	99	136.2 Å²	136.2	69%	0.692	78%	0.776	S	S	*	*			trans	-60.3	109.6	174	39.8	0	0	0	0	107.5	L21 I25	L21-S23 PolarHBondContact O-N 3.31Å; S23-I25 PolarHBondContact O-N 3.27Å
24	K	61.7	Low	61.5	Low	206 Å²	206	134 Å²	134	90%	0.896	77%	0.773	S	S	*	*			trans	-63.9	92.5	166.6	-71.3	-176.1	179	-177.7	0	106.6	A22 G26	A22-K24 PolarHBondContact O-N 3.05Å; K24-G26 PolarHBondContact O-N 3.47Å
25	I	62.3	Low	62.5	Low	144 Å²	144	127 Å²	127	74%	0.738	77%	0.768	S	S	*	*			trans	-69.6	80.5	163.7	-59.2	175	0	0	0	105.3	S23 R27	S23-I25 PolarHBondContact O-N 3.27Å; I25-R27 PolarHBondContact O-N 3.45Å; I25-R27 VanDerWaalsContact O-N 3.12Å
26	G	61.4	Low	63.7	Low	65 Å²	65	125.3 Å²	125.3	67%	0.67	75%	0.747	S	S	*	*			trans	-62.6	110.6	165.8	0	0	0	0	0	106.5	K24 S28	K24-G26 PolarHBondContact O-N 3.47Å; G26-S28 PolarHBondContact O-N 3.13Å
27	R	63.9	Low	65.2	Low	199 Å²	199	123.4 Å²	123.4	75%	0.751	73%	0.726	S	S	*	*			trans	-67.6	102.5	168.7	-61.9	175.8	-174.2	-105	1.7	105.7	I25 F29	I25-R27 PolarHBondContact O-N 3.45Å; I25-R27 VanDerWaalsContact O-N 3.12Å; R27-F29 HydrophobicContact CB-CD2 3.98Å; R27-F29 HydrophobicContact CB-CE1 4.25Å; R27-F29 HydrophobicContact CB-CE2 3.45Å; R27-F29 VanDerWaalsContact CB-CE2 3.45Å; R27-F29 HydrophobicContact CB-CZ 3.61Å; R27-F29 HydrophobicContact CG-CE2 4.45Å; R27-F29 HydrophobicContact CG-CZ 4.27Å; R27-F29 WeakPolarHBondContact O-CD2 3.4Å; R27-F29 PolarHBondContact O-N 3.22Å
28	S	61.5	Low	66.7	Low	99 Å²	99	125.4 Å²	125.4	69%	0.692	73%	0.73	S	S	*	*			trans	-70.7	110.6	167.1	-170.9	0	0	0	0	106.4	G26 S30	G26-S28 PolarHBondContact O-N 3.13Å; S28-S30 VanDerWaalsContact C-N 3.3Å; S28-S30 PolarHBondContact O-N 3.42Å
29	F	67.4	Low	68.3	Low	186 Å²	186	125.6 Å²	125.6	82%	0.816	72%	0.719	S	S	*	*	S	Bend	trans	-86.2	7.1	-173.2	-77.4	-78.6	0	0	0	114.1	R27	R27-F29 HydrophobicContact CB-CD2 3.98Å; R27-F29 HydrophobicContact CB-CE1 4.25Å; R27-F29 HydrophobicContact CB-CE2 3.45Å; R27-F29 VanDerWaalsContact CB-CE2 3.45Å; R27-F29 HydrophobicContact CB-CZ 3.61Å; R27-F29 HydrophobicContact CG-CE2 4.45Å; R27-F29 HydrophobicContact CG-CZ 4.27Å; R27-F29 WeakPolarHBondContact O-CD2 3.4Å; R27-F29 PolarHBondContact O-N 3.22Å
30	S	64.5	Low	70.2	Confident	102 Å²	102	122.8 Å²	122.8	71%	0.713	70%	0.701	S	S	*	*			trans	-145.2	84.7	166.3	69.8	0	0	0	0	110.1	S28	S28-S30 VanDerWaalsContact C-N 3.3Å; S28-S30 PolarHBondContact O-N 3.42Å
31	S	58.8	Low	72.4	Confident	80 Å²	80	117.9 Å²	117.9	56%	0.559	67%	0.665	S	S	*	*			trans	-82.8	114.7	165.3	54.3	0	0	0	0	108.5	V33	S31-V33 PolarHBondContact O-N 3.34Å; S31-V33 VanDerWaalsContact O-N 3.13Å
32	D	61.5	Low	74.2	Confident	156 Å²	156	111.6 Å²	111.6	83%	0.834	63%	0.633	S	S	*	*	S	Bend	trans	59.6	33.8	144.9	-43.8	-39.7	0	0	0	118.3
33	V	63.9	Low	76	Confident	137 Å²	137	113.2 Å²	113.2	83%	0.83	62%	0.624	S	S	*	*			trans	-94.2	101.7	159.6	-146.3	0	0	0	0	106.2	S31 A35	S31-V33 PolarHBondContact O-N 3.34Å; S31-V33 VanDerWaalsContact O-N 3.13Å; V33-A35 PolarHBondContact O-N 3.02Å
34	D	74.8	Confident	77.7	Confident	154 Å²	154	113.1 Å²	113.1	82%	0.824	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-50.6	133.1	170.6	-70	-45.9	0	0	0	108.3	E36	D34-E36 PolarHBondContact O-N 3.31Å; D34-E36 VanDerWaalsContact O-N 3.08Å
35	A	80.7	Confident	79.4	Confident	98 Å²	98	103.8 Å²	103.8	81%	0.81	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-57.8	120.2	175.6	0	0	0	0	0	107.8	V33	V33-A35 PolarHBondContact O-N 3.02Å
36	E	87.1	Confident	81.1	Confident	81 Å²	81	98.9 Å²	98.9	38%	0.379	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-59.9	143.7	-179.2	65.3	-176.5	160	0	0	111	D34 E40 F41 R44	D34-E36 PolarHBondContact O-N 3.31Å; D34-E36 VanDerWaalsContact O-N 3.08Å; E36-E40 HydrophobicContact CB-CB 4.46Å; E36-F41 HydrophobicContact CG-CB 4.43Å; E36-F41 WeakPolarHBondContact OE1-CD2 3.38Å; E36-R44 IonicContact OE1-CZ 2.71Å; E36-R44 IonicContact OE1-NH1 3.79Å; E36-R44 PolarHBondContact OE1-NH1 3.34Å; E36-R44 IonicContact OE1-NH2 3.77Å; E36-R44 PolarHBondContact OE1-NH2 2.93Å; E36-R44 IonicContact OE2-CZ 3.69Å; E36-R44 VanDerWaalsContact OE2-CZ 3.26Å; E36-R44 IonicContact OE2-NH1 3.31Å; E36-R44 PolarHBondContact OE2-NH1 3.44Å; E36-R44 IonicContact OE2-NH2 3.78Å; E36-R44 PolarHBondContact OE2-NH2 3.29Å
37	T	92.7	Very high	82.9	Confident	59 Å²	59	99.7 Å²	99.7	36%	0.362	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-71.1	153.8	174.4	58.9	0	0	0	0	110.6	E39 E40 F41	T37-E39 WeakPolarHBondContact CB-OE2 3.48Å; T37-E39 PolarHBondContact O-N 2.79Å; T37-E40 PolarHBondContact N-OE2 3.29Å; T37-E40 PolarHBondContact O-N 3.5Å; T37-E40 VanDerWaalsContact O-N 3.11Å; T37-E40 WeakPolarHBondContact OG1-CB 3.49Å; T37-E40 WeakPolarHBondContact OG1-CG 3.28Å; T37-E40 PolarHBondContact OG1-N 3.31Å; T37-E40 PolarHBondContact OG1-OE2 2.95Å; T37-F41 PolarHBondContact O-N 3.1Å
38	P	91.5	Very high	84.5	Confident	92 Å²	92	92.6 Å²	92.6	60%	0.597	51%	0.506	S	S	*	.	H	α-helix	trans	-54.3	-36.9	174.9	-26	35.2	0	0	0	112.9	F41 D42	P38-F41 WeakPolarHBondContact O-CB 3.47Å; P38-F41 PolarHBondContact O-N 3.12Å; P38-D42 PolarHBondContact O-N 2.87Å
39	E	94.3	Very high	86.3	Confident	137 Å²	137	87.9 Å²	87.9	64%	0.64	47%	0.473	S	S	*	.	H	α-helix	trans	-67.7	-38.6	178.6	-61.2	78.6	-175	0	0	112	T37 K43	T37-E39 WeakPolarHBondContact CB-OE2 3.48Å; T37-E39 PolarHBondContact O-N 2.79Å; E39-K43 WeakPolarHBondContact O-CB 3.43Å; E39-K43 PolarHBondContact O-N 2.65Å
40	E	95.5	Very high	87.8	Confident	108 Å²	108	82.9 Å²	82.9	51%	0.505	46%	0.455	S	S	.	.	H	α-helix	trans	-68.2	-39.3	173.8	-74	164.9	153.5	0	0	111.8	E36 T37 K43 R44	E36-E40 HydrophobicContact CB-CB 4.46Å; T37-E40 PolarHBondContact N-OE2 3.29Å; T37-E40 PolarHBondContact O-N 3.5Å; T37-E40 VanDerWaalsContact O-N 3.11Å; T37-E40 WeakPolarHBondContact OG1-CB 3.49Å; T37-E40 WeakPolarHBondContact OG1-CG 3.28Å; T37-E40 PolarHBondContact OG1-N 3.31Å; T37-E40 PolarHBondContact OG1-OE2 2.95Å; E40-K43 PolarHBondContact O-N 3.38Å; E40-R44 PolarHBondContact O-N 3.32Å
41	F	95.3	Very high	89.3	Confident	24 Å²	24	81.8 Å²	81.8	11%	0.105	44%	0.439	C	S	.	.	H	α-helix	trans	-58.3	-51.4	174.8	176.2	-86.2	0	0	0	111.1	E36 T37 P38 R44 F45 Y69 V71	E36-F41 HydrophobicContact CG-CB 4.43Å; E36-F41 WeakPolarHBondContact OE1-CD2 3.38Å; T37-F41 PolarHBondContact O-N 3.1Å; P38-F41 WeakPolarHBondContact O-CB 3.47Å; P38-F41 PolarHBondContact O-N 3.12Å; F41-R44 WeakPolarHBondContact O-CB 3.4Å; F41-R44 PolarHBondContact O-N 3.29Å; F41-F45 HydrophobicContact CD1-CD2 4.29Å; F41-F45 HydrophobicContact CD1-CE2 4.43Å; F41-F45 HydrophobicContact CD2-CE2 4.41Å; F41-F45 AromaticContact CE1-CD2 3.9Å; F41-F45 HydrophobicContact CE1-CD2 3.9Å; F41-F45 AromaticContact CE1-CE2 3.8Å; F41-F45 HydrophobicContact CE1-CE2 3.8Å; F41-F45 HydrophobicContact CE2-CD2 4.49Å; F41-F45 AromaticContact CE2-CE2 3.75Å; F41-F45 HydrophobicContact CE2-CE2 3.75Å; F41-F45 HydrophobicContact CZ-CD2 4.01Å; F41-F45 AromaticContact CZ-CE2 3.4Å; F41-F45 HydrophobicContact CZ-CE2 3.4Å; F41-F45 VanDerWaalsContact CZ-CE2 3.4Å; F41-F45 HydrophobicContact CZ-CZ 4.38Å; F41-F45 WeakPolarHBondContact O-CD2 3.34Å; F41-F45 PolarHBondContact O-N 2.72Å; F41-Y69 AromaticContact CE2-CD1 3.67Å; F41-Y69 HydrophobicContact CE2-CD1 3.67Å; F41-Y69 AromaticContact CE2-CD2 3.9Å; F41-Y69 HydrophobicContact CE2-CD2 3.9Å; F41-Y69 AromaticContact CE2-CE1 3.69Å; F41-Y69 HydrophobicContact CE2-CE1 3.69Å; F41-Y69 AromaticContact CE2-CE2 3.95Å; F41-Y69 HydrophobicContact CE2-CE2 3.95Å; F41-Y69 AromaticContact CE2-CG 3.77Å; F41-Y69 HydrophobicContact CE2-CG 3.77Å; F41-Y69 AromaticContact CE2-CZ 3.83Å; F41-Y69 HydrophobicContact CZ-CD1 4.08Å; F41-Y69 AromaticContact CZ-CD2 3.77Å; F41-Y69 HydrophobicContact CZ-CD2 3.77Å; F41-Y69 HydrophobicContact CZ-CE1 4.46Å; F41-Y69 HydrophobicContact CZ-CE2 4.21Å; F41-Y69 AromaticContact CZ-CG 3.71Å; F41-Y69 HydrophobicContact CZ-CG 3.71Å; F41-V71 HydrophobicContact CE1-CG1 4.09Å; F41-V71 HydrophobicContact CZ-CG1 4.1Å
42	D	97.5	Very high	91.1	Very high	32 Å²	32	82.9 Å²	82.9	17%	0.171	44%	0.444	C	S	.	.	H	α-helix	trans	-63.9	-44.7	178.6	-76.6	-14.5	0	0	0	111.3	P38 R44 F45 I46 E74 V77	P38-D42 PolarHBondContact O-N 2.87Å; D42-R44 VanDerWaalsContact C-N 3.27Å; D42-R44 PolarHBondContact O-N 3.24Å; D42-F45 PolarHBondContact O-N 3.31Å; D42-F45 VanDerWaalsContact O-N 3.13Å; D42-I46 VanDerWaalsContact O-CG1 3.31Å; D42-I46 WeakPolarHBondContact O-CG1 3.46Å; D42-I46 PolarHBondContact O-N 2.74Å; D42-E74 WeakPolarHBondContact OD2-CG 3.35Å; D42-V77 HydrophobicContact CB-CG2 3.83Å
43	K	97.8	Very high	92.6	Very high	119 Å²	119	82.8 Å²	82.8	52%	0.517	44%	0.444	S	S	.	.	H	α-helix	trans	-57.1	-41	177.6	-176.3	178.2	-178.4	-62.3	0	111.6	E39 E40 F45 I46 D47	E39-K43 WeakPolarHBondContact O-CB 3.43Å; E39-K43 PolarHBondContact O-N 2.65Å; E40-K43 PolarHBondContact O-N 3.38Å; K43-F45 VanDerWaalsContact C-N 3.35Å; K43-F45 PolarHBondContact O-N 3.4Å; K43-I46 PolarHBondContact O-N 2.96Å; K43-D47 IonicContact NZ-OD2 3.04Å; K43-D47 PolarHBondContact NZ-OD2 3.42Å; K43-D47 WeakPolarHBondContact O-CB 3.42Å; K43-D47 VanDerWaalsContact O-CG 3.23Å; K43-D47 PolarHBondContact O-N 3.42Å
44	R	97	Very high	94.2	Very high	97 Å²	97	76.8 Å²	76.8	37%	0.366	41%	0.407	S	S	.	.	H	α-helix	trans	-58.7	-45.1	177	178.4	178.5	60.5	-140.7	-7.5	111.9	E36 E40 F41 D42 F48	E36-R44 IonicContact OE1-CZ 2.71Å; E36-R44 IonicContact OE1-NH1 3.79Å; E36-R44 PolarHBondContact OE1-NH1 3.34Å; E36-R44 IonicContact OE1-NH2 3.77Å; E36-R44 PolarHBondContact OE1-NH2 2.93Å; E36-R44 IonicContact OE2-CZ 3.69Å; E36-R44 VanDerWaalsContact OE2-CZ 3.26Å; E36-R44 IonicContact OE2-NH1 3.31Å; E36-R44 PolarHBondContact OE2-NH1 3.44Å; E36-R44 IonicContact OE2-NH2 3.78Å; E36-R44 PolarHBondContact OE2-NH2 3.29Å; E40-R44 PolarHBondContact O-N 3.32Å; F41-R44 WeakPolarHBondContact O-CB 3.4Å; F41-R44 PolarHBondContact O-N 3.29Å; D42-R44 VanDerWaalsContact C-N 3.27Å; D42-R44 PolarHBondContact O-N 3.24Å; R44-F48 VanDerWaalsContact O-CB 3.28Å; R44-F48 WeakPolarHBondContact O-CB 3.49Å; R44-F48 PolarHBondContact O-N 3.4Å
45	F	98.2	Very high	95.3	Very high	11 Å²	11	73.2 Å²	73.2	5%	0.048	39%	0.388	C	S	.	.	H	α-helix	trans	-71	-40.5	178.2	-78.8	-74.3	0	0	0	112.2	F41 D42 K43 D47 F48 F49 L66 Y69 V77	F41-F45 HydrophobicContact CD1-CD2 4.29Å; F41-F45 HydrophobicContact CD1-CE2 4.43Å; F41-F45 HydrophobicContact CD2-CE2 4.41Å; F41-F45 AromaticContact CE1-CD2 3.9Å; F41-F45 HydrophobicContact CE1-CD2 3.9Å; F41-F45 AromaticContact CE1-CE2 3.8Å; F41-F45 HydrophobicContact CE1-CE2 3.8Å; F41-F45 HydrophobicContact CE2-CD2 4.49Å; F41-F45 AromaticContact CE2-CE2 3.75Å; F41-F45 HydrophobicContact CE2-CE2 3.75Å; F41-F45 HydrophobicContact CZ-CD2 4.01Å; F41-F45 AromaticContact CZ-CE2 3.4Å; F41-F45 HydrophobicContact CZ-CE2 3.4Å; F41-F45 VanDerWaalsContact CZ-CE2 3.4Å; F41-F45 HydrophobicContact CZ-CZ 4.38Å; F41-F45 WeakPolarHBondContact O-CD2 3.34Å; F41-F45 PolarHBondContact O-N 2.72Å; D42-F45 PolarHBondContact O-N 3.31Å; D42-F45 VanDerWaalsContact O-N 3.13Å; K43-F45 VanDerWaalsContact C-N 3.35Å; K43-F45 PolarHBondContact O-N 3.4Å; F45-D47 PolarHBondContact O-N 3.03Å; F45-F48 PolarHBondContact O-N 2.99Å; F45-F49 HydrophobicContact CB-CD2 4.31Å; F45-F49 HydrophobicContact CB-CE2 4.31Å; F45-F49 HydrophobicContact CD1-CD2 4.5Å; F45-F49 AromaticContact CD1-CE2 3.79Å; F45-F49 HydrophobicContact CD1-CE2 3.79Å; F45-F49 WeakPolarHBondContact O-CD2 3.35Å; F45-F49 PolarHBondContact O-N 3.08Å; F45-L66 HydrophobicContact CD1-CB 4.11Å; F45-L66 HydrophobicContact CD1-CD1 4.11Å; F45-L66 HydrophobicContact CD2-CD1 3.94Å; F45-L66 HydrophobicContact CE1-CB 3.62Å; F45-L66 HydrophobicContact CE1-CD1 4.08Å; F45-L66 HydrophobicContact CE1-CG 4.41Å; F45-L66 HydrophobicContact CE2-CD1 3.92Å; F45-L66 HydrophobicContact CG-CD1 4.04Å; F45-L66 HydrophobicContact CZ-CB 4.01Å; F45-L66 HydrophobicContact CZ-CD1 3.98Å; F45-Y69 HydrophobicContact CE2-CD2 4.35Å; F45-Y69 HydrophobicContact CE2-CE2 4.12Å; F45-Y69 HydrophobicContact CZ-CD2 4.11Å; F45-Y69 AromaticContact CZ-CE2 3.78Å; F45-Y69 HydrophobicContact CZ-CE2 3.78Å; F45-V77 HydrophobicContact CB-CG1 3.79Å
46	I	98.5	Very high	96	Very high	41 Å²	41	69.5 Å²	69.5	21%	0.21	36%	0.359	C	S	.	.	H	α-helix	trans	-58.8	-49.4	175.4	-69.6	166.6	0	0	0	110.3	D42 K43 F48 F49 N50 V77 A80	D42-I46 VanDerWaalsContact O-CG1 3.31Å; D42-I46 WeakPolarHBondContact O-CG1 3.46Å; D42-I46 PolarHBondContact O-N 2.74Å; K43-I46 PolarHBondContact O-N 2.96Å; I46-F48 VanDerWaalsContact C-N 3.34Å; I46-F48 PolarHBondContact O-N 3.34Å; I46-F49 PolarHBondContact O-N 3.29Å; I46-N50 VanDerWaalsContact CG2-ND2 3.28Å; I46-N50 WeakPolarHBondContact CG2-ND2 3.4Å; I46-N50 WeakPolarHBondContact O-CB 3.47Å; I46-N50 VanDerWaalsContact O-CG 3.27Å; I46-N50 PolarHBondContact O-N 3.04Å; I46-N50 PolarHBondContact O-ND2 2.94Å; I46-V77 HydrophobicContact CD1-CG2 4.22Å; I46-V77 HydrophobicContact CG1-CG2 4.03Å; I46-A80 HydrophobicContact CG1-CB 4.49Å
47	D	98.4	Very high	96.5	Very high	82 Å²	82	73.1 Å²	73.1	44%	0.439	37%	0.369	S	S	.	.	H	α-helix	trans	-62	-43	178.3	-71.8	-15	0	0	0	111	K43 F45 N50 Q51	K43-D47 IonicContact NZ-OD2 3.04Å; K43-D47 PolarHBondContact NZ-OD2 3.42Å; K43-D47 WeakPolarHBondContact O-CB 3.42Å; K43-D47 VanDerWaalsContact O-CG 3.23Å; K43-D47 PolarHBondContact O-N 3.42Å; F45-D47 PolarHBondContact O-N 3.03Å; D47-N50 PolarHBondContact O-N 3.45Å; D47-Q51 PolarHBondContact O-N 3.44Å
48	F	98.4	Very high	96.8	Very high	49 Å²	49	72.3 Å²	72.3	22%	0.215	36%	0.362	C	S	.	.	H	α-helix	trans	-60.4	-50	177.3	-179.2	-93.1	0	0	0	111.7	R44 F45 I46 N50 Q51 I54 L58	R44-F48 VanDerWaalsContact O-CB 3.28Å; R44-F48 WeakPolarHBondContact O-CB 3.49Å; R44-F48 PolarHBondContact O-N 3.4Å; F45-F48 PolarHBondContact O-N 2.99Å; I46-F48 VanDerWaalsContact C-N 3.34Å; I46-F48 PolarHBondContact O-N 3.34Å; F48-N50 VanDerWaalsContact C-N 3.32Å; F48-N50 PolarHBondContact O-N 2.89Å; F48-Q51 WeakPolarHBondContact O-CG 3.24Å; F48-Q51 PolarHBondContact O-N 2.83Å; F48-Q51 PolarHBondContact O-NE2 3.05Å; F48-I54 HydrophobicContact CD1-CD1 4.33Å; F48-I54 HydrophobicContact CE1-CD1 3.96Å; F48-I54 HydrophobicContact CZ-CD1 4.47Å; F48-L58 WeakPolarHBondContact CE1-O 3.43Å; F48-L58 HydrophobicContact CE2-CD2 4.48Å; F48-L58 HydrophobicContact CZ-CB 4.21Å; F48-L58 HydrophobicContact CZ-CD2 4.19Å
49	F	98.6	Very high	97.1	Very high	0 Å²	0	68 Å²	68	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-77.7	-12.5	-179.1	-69.3	-63.7	0	0	0	113.8	F45 I46 I54 L63 L66 A80 V81 A84 R87	F45-F49 HydrophobicContact CB-CD2 4.31Å; F45-F49 HydrophobicContact CB-CE2 4.31Å; F45-F49 HydrophobicContact CD1-CD2 4.5Å; F45-F49 AromaticContact CD1-CE2 3.79Å; F45-F49 HydrophobicContact CD1-CE2 3.79Å; F45-F49 WeakPolarHBondContact O-CD2 3.35Å; F45-F49 PolarHBondContact O-N 3.08Å; I46-F49 PolarHBondContact O-N 3.29Å; F49-I54 HydrophobicContact CD1-CD1 4.32Å; F49-L63 HydrophobicContact CE1-CG 4.43Å; F49-L63 HydrophobicContact CZ-CD2 4.32Å; F49-L63 HydrophobicContact CZ-CG 4.27Å; F49-L66 HydrophobicContact CE2-CD2 4.4Å; F49-A80 HydrophobicContact CB-CB 4Å; F49-V81 HydrophobicContact CD1-CG2 4.24Å; F49-V81 HydrophobicContact CD2-CG2 3.48Å; F49-V81 VanDerWaalsContact CD2-CG2 3.48Å; F49-V81 HydrophobicContact CE1-CG2 4.16Å; F49-V81 HydrophobicContact CE2-CG2 3.39Å; F49-V81 HydrophobicContact CG-CG2 3.93Å; F49-V81 HydrophobicContact CZ-CG2 3.74Å; F49-A84 HydrophobicContact CB-CB 4.22Å; F49-A84 HydrophobicContact CD1-CB 4.13Å; F49-R87 PolarHBondContact O-NH2 3.5Å
50	N	98.3	Very high	97.3	Very high	81 Å²	81	67.5 Å²	67.5	43%	0.433	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	0.9	174.5	-79	-29.1	0	0	0	114	I46 D47 F48	I46-N50 VanDerWaalsContact CG2-ND2 3.28Å; I46-N50 WeakPolarHBondContact CG2-ND2 3.4Å; I46-N50 WeakPolarHBondContact O-CB 3.47Å; I46-N50 VanDerWaalsContact O-CG 3.27Å; I46-N50 PolarHBondContact O-N 3.04Å; I46-N50 PolarHBondContact O-ND2 2.94Å; D47-N50 PolarHBondContact O-N 3.45Å; F48-N50 VanDerWaalsContact C-N 3.32Å; F48-N50 PolarHBondContact O-N 2.89Å
51	Q	97.5	Very high	97.4	Very high	79 Å²	79	66.4 Å²	66.4	37%	0.369	32%	0.32	S	S	.	.			trans	-55	123.8	172.6	-72.1	176.3	77.2	0	0	110.7	D47 F48 N53 I54 R87	D47-Q51 PolarHBondContact O-N 3.44Å; F48-Q51 WeakPolarHBondContact O-CG 3.24Å; F48-Q51 PolarHBondContact O-N 2.83Å; F48-Q51 PolarHBondContact O-NE2 3.05Å; Q51-N53 VanDerWaalsContact C-N 3.33Å; Q51-N53 PolarHBondContact O-N 3.43Å; Q51-I54 HydrophobicContact CB-CB 4.21Å; Q51-I54 PolarHBondContact O-N 3.16Å; Q51-R87 PolarHBondContact O-NH2 2.68Å
52	P	95.2	Very high	97.5	Very high	103 Å²	103	65.3 Å²	65.3	67%	0.669	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-39	-168.8	21.7	-32.6	0	0	0	112.5	R87	P52-R87 PolarHBondContact O-NE 3.33Å
53	N	94.2	Very high	97.5	Very high	155 Å²	155	64.4 Å²	64.4	83%	0.829	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	32.7	-177.7	-59.2	-32.9	0	0	0	112.3	Q51 D55	Q51-N53 VanDerWaalsContact C-N 3.33Å; Q51-N53 PolarHBondContact O-N 3.43Å; N53-D55 PolarHBondContact O-N 3.12Å
54	I	97.1	Very high	97.5	Very high	10 Å²	10	66.4 Å²	66.4	5%	0.051	32%	0.316	C	S	.	.			trans	-59.8	132.3	176.3	-162	169.3	0	0	0	110	F48 F49 Q51 L58 V59 A84 V88	F48-I54 HydrophobicContact CD1-CD1 4.33Å; F48-I54 HydrophobicContact CE1-CD1 3.96Å; F48-I54 HydrophobicContact CZ-CD1 4.47Å; F49-I54 HydrophobicContact CD1-CD1 4.32Å; Q51-I54 HydrophobicContact CB-CB 4.21Å; Q51-I54 PolarHBondContact O-N 3.16Å; I54-L58 HydrophobicContact CD1-CB 4.15Å; I54-L58 HydrophobicContact CG1-CB 3.64Å; I54-L58 HydrophobicContact CG1-CD1 4.26Å; I54-V59 HydrophobicContact CD1-CG2 3.8Å; I54-V59 HydrophobicContact CG1-CG2 3.95Å; I54-V59 HydrophobicContact CG2-CG2 3.9Å; I54-A84 HydrophobicContact CG2-CB 4.32Å; I54-V88 HydrophobicContact CG2-CG1 4.28Å; I54-V88 WeakPolarHBondContact O-CG1 3.35Å
55	D	97.1	Very high	97.5	Very high	80 Å²	80	64.3 Å²	64.3	43%	0.428	31%	0.312	S	S	.	.			trans	-88.9	164.2	175.9	74.1	31.1	0	0	0	111.7	N53 W57 L58 V59	N53-D55 PolarHBondContact O-N 3.12Å; D55-W57 PolarHBondContact O-N 3.26Å; D55-W57 WeakPolarHBondContact OD1-CA 3.38Å; D55-W57 WeakPolarHBondContact OD1-CB 3.2Å; D55-W57 PolarHBondContact OD1-N 3.33Å; D55-L58 PolarHBondContact O-N 3.14Å; D55-L58 WeakPolarHBondContact OD1-CB 3.44Å; D55-L58 WeakPolarHBondContact OD1-CG 3.42Å; D55-L58 PolarHBondContact OD1-N 3.33Å; D55-V59 WeakPolarHBondContact O-CG2 3.4Å; D55-V59 PolarHBondContact O-N 2.94Å; D55-V59 VanDerWaalsContact O-N 3.1Å
56	G	96.2	Very high	97.5	Very high	19 Å²	19	63.8 Å²	63.8	20%	0.196	31%	0.31	C	S	.	.	H	α-helix	trans	-64.2	-24.1	-179	0	0	0	0	0	114	R60	G56-R60 PolarHBondContact O-N 3.02Å; G56-R60 PolarHBondContact O-NE 3.1Å; G56-R60 PolarHBondContact O-NH1 3.08Å; G56-R60 PolarHBondContact O-NH2 3.28Å
57	W	97.5	Very high	97.3	Very high	157 Å²	157	64.6 Å²	64.6	60%	0.595	31%	0.313	S	S	*	.	H	α-helix	trans	-73.4	-43.8	176.8	178.5	89.5	0	0	0	111	D55 R60 K61	D55-W57 PolarHBondContact O-N 3.26Å; D55-W57 WeakPolarHBondContact OD1-CA 3.38Å; D55-W57 WeakPolarHBondContact OD1-CB 3.2Å; D55-W57 PolarHBondContact OD1-N 3.33Å; W57-R60 PolarHBondContact O-N 3.12Å; W57-K61 HydrophobicContact CH2-CD 3.75Å; W57-K61 HydrophobicContact CZ2-CD 4.43Å; W57-K61 HydrophobicContact CZ3-CD 3.95Å; W57-K61 WeakPolarHBondContact O-CB 3.45Å; W57-K61 PolarHBondContact O-N 3.45Å
58	L	98.2	Very high	97.2	Very high	43 Å²	43	64.6 Å²	64.6	23%	0.225	32%	0.318	C	S	.	.	H	α-helix	trans	-62.7	-40.2	175.5	-75.8	172.9	0	0	0	111.7	F48 I54 D55 K61 G62	F48-L58 WeakPolarHBondContact CE1-O 3.43Å; F48-L58 HydrophobicContact CE2-CD2 4.48Å; F48-L58 HydrophobicContact CZ-CB 4.21Å; F48-L58 HydrophobicContact CZ-CD2 4.19Å; I54-L58 HydrophobicContact CD1-CB 4.15Å; I54-L58 HydrophobicContact CG1-CB 3.64Å; I54-L58 HydrophobicContact CG1-CD1 4.26Å; D55-L58 PolarHBondContact O-N 3.14Å; D55-L58 WeakPolarHBondContact OD1-CB 3.44Å; D55-L58 WeakPolarHBondContact OD1-CG 3.42Å; D55-L58 PolarHBondContact OD1-N 3.33Å; L58-K61 PolarHBondContact O-N 2.95Å; L58-G62 PolarHBondContact O-N 3.47Å
59	V	98.5	Very high	97.1	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-59.4	-48.2	174	175.6	0	0	0	0	110.6	I54 D55 G62 L63 A84 V88 L93	I54-V59 HydrophobicContact CD1-CG2 3.8Å; I54-V59 HydrophobicContact CG1-CG2 3.95Å; I54-V59 HydrophobicContact CG2-CG2 3.9Å; D55-V59 WeakPolarHBondContact O-CG2 3.4Å; D55-V59 PolarHBondContact O-N 2.94Å; D55-V59 VanDerWaalsContact O-N 3.1Å; V59-G62 PolarHBondContact O-N 3.47Å; V59-L63 HydrophobicContact CG1-CD1 4.33Å; V59-L63 WeakPolarHBondContact O-CB 3.45Å; V59-L63 WeakPolarHBondContact O-CG 3.48Å; V59-L63 PolarHBondContact O-N 3.23Å; V59-A84 HydrophobicContact CG2-CB 4.08Å; V59-V88 HydrophobicContact CG2-CG1 3.87Å; V59-V88 HydrophobicContact CG2-CG2 4.28Å; V59-L93 HydrophobicContact CG1-CD1 4.14Å; V59-L93 HydrophobicContact CG1-CD2 3.88Å
60	R	98	Very high	96.9	Very high	127 Å²	127	75.2 Å²	75.2	48%	0.479	37%	0.37	S	S	.	.	H	α-helix	trans	-64.5	-40.1	177.9	-74.7	-175.6	-67.2	-89.6	-0.3	112.8	G56 W57 L63 Y64 D90 L93	G56-R60 PolarHBondContact O-N 3.02Å; G56-R60 PolarHBondContact O-NE 3.1Å; G56-R60 PolarHBondContact O-NH1 3.08Å; G56-R60 PolarHBondContact O-NH2 3.28Å; W57-R60 PolarHBondContact O-N 3.12Å; R60-L63 PolarHBondContact O-N 2.9Å; R60-Y64 PolarHBondContact O-N 3.48Å; R60-D90 IonicContact NH1-OD2 3.34Å; R60-L93 HydrophobicContact CG-CD1 3.43Å; R60-L93 VanDerWaalsContact CG-CD1 3.43Å
61	K	97.5	Very high	96.7	Very high	86 Å²	86	74.2 Å²	74.2	37%	0.374	37%	0.367	S	S	.	.	H	α-helix	trans	-62	-50	174.9	-175.5	-165.3	175.8	-70.5	0	111	W57 L58 L63 Y64 D65	W57-K61 HydrophobicContact CH2-CD 3.75Å; W57-K61 HydrophobicContact CZ2-CD 4.43Å; W57-K61 HydrophobicContact CZ3-CD 3.95Å; W57-K61 WeakPolarHBondContact O-CB 3.45Å; W57-K61 PolarHBondContact O-N 3.45Å; L58-K61 PolarHBondContact O-N 2.95Å; K61-L63 VanDerWaalsContact C-N 3.27Å; K61-L63 PolarHBondContact O-N 3.08Å; K61-Y64 WeakPolarHBondContact O-CB 3.36Å; K61-Y64 PolarHBondContact O-N 2.88Å; K61-Y64 VanDerWaalsContact O-N 3.15Å; K61-D65 IonicContact NZ-OD2 2.61Å; K61-D65 PolarHBondContact NZ-OD2 3.47Å; K61-D65 PolarHBondContact O-N 3.43Å
62	G	97.6	Very high	96.7	Very high	1 Å²	1	71.9 Å²	71.9	1%	0.01	36%	0.358	C	S	.	.	H	α-helix	trans	-61.2	-37.7	179.3	0	0	0	0	0	112.3	L58 V59 D65 L66	L58-G62 PolarHBondContact O-N 3.47Å; V59-G62 PolarHBondContact O-N 3.47Å; G62-D65 PolarHBondContact O-N 3.22Å; G62-L66 VanDerWaalsContact O-CB 3.29Å; G62-L66 WeakPolarHBondContact O-CB 3.41Å; G62-L66 PolarHBondContact O-N 3.29Å
63	L	98.1	Very high	96.8	Very high	13 Å²	13	67.2 Å²	67.2	7%	0.068	33%	0.327	C	S	.	.	H	α-helix	trans	-66.7	-41.8	173.7	-82.6	178.6	0	0	0	112.9	F49 V59 R60 K61 L66 H67 V81 L93 F97	F49-L63 HydrophobicContact CE1-CG 4.43Å; F49-L63 HydrophobicContact CZ-CD2 4.32Å; F49-L63 HydrophobicContact CZ-CG 4.27Å; V59-L63 HydrophobicContact CG1-CD1 4.33Å; V59-L63 WeakPolarHBondContact O-CB 3.45Å; V59-L63 WeakPolarHBondContact O-CG 3.48Å; V59-L63 PolarHBondContact O-N 3.23Å; R60-L63 PolarHBondContact O-N 2.9Å; K61-L63 VanDerWaalsContact C-N 3.27Å; K61-L63 PolarHBondContact O-N 3.08Å; L63-L66 HydrophobicContact CD2-CD2 4.42Å; L63-L66 PolarHBondContact O-N 3Å; L63-H67 VanDerWaalsContact O-CB 3.32Å; L63-H67 WeakPolarHBondContact O-CB 3.34Å; L63-H67 PolarHBondContact O-CD2 3.48Å; L63-H67 PolarHBondContact O-N 2.93Å; L63-V81 HydrophobicContact CD1-CG1 4.39Å; L63-V81 HydrophobicContact CD2-CG1 3.69Å; L63-V81 HydrophobicContact CD2-CG2 4.19Å; L63-V81 HydrophobicContact CG-CG1 4.32Å; L63-L93 HydrophobicContact CD1-CD1 4.38Å; L63-L93 HydrophobicContact CD1-CD2 3.36Å; L63-L93 HydrophobicContact CD1-CG 3.98Å; L63-F97 HydrophobicContact CD2-CD2 3.35Å; L63-F97 HydrophobicContact CD2-CE2 3.5Å; L63-F97 VanDerWaalsContact CD2-CE2 3.5Å; L63-F97 HydrophobicContact CD2-CG 4.21Å; L63-F97 HydrophobicContact CD2-CZ 4.45Å
64	Y	97.2	Very high	96.9	Very high	160 Å²	160	63.9 Å²	63.9	63%	0.627	31%	0.307	S	S	*	.	H	α-helix	trans	-58.2	-50.3	173.5	176	-94.2	0	0	0	110.7	R60 K61 L66 H67 C68	R60-Y64 PolarHBondContact O-N 3.48Å; K61-Y64 WeakPolarHBondContact O-CB 3.36Å; K61-Y64 PolarHBondContact O-N 2.88Å; K61-Y64 VanDerWaalsContact O-N 3.15Å; Y64-L66 PolarHBondContact O-N 3.36Å; Y64-H67 PolarHBondContact O-N 2.95Å; Y64-C68 PolarHBondContact O-N 2.86Å; Y64-C68 PolarHBondContact O-SG 2.87Å
65	D	97.2	Very high	97	Very high	53 Å²	53	64 Å²	64	28%	0.283	31%	0.309	S	S	.	.	H	α-helix	trans	-59	-47.4	178.7	-66.3	-20.5	0	0	0	110.8	K61 G62 H67 C68 Y69	K61-D65 IonicContact NZ-OD2 2.61Å; K61-D65 PolarHBondContact NZ-OD2 3.47Å; K61-D65 PolarHBondContact O-N 3.43Å; G62-D65 PolarHBondContact O-N 3.22Å; D65-H67 VanDerWaalsContact C-N 3.34Å; D65-H67 PolarHBondContact O-N 3.4Å; D65-C68 WeakPolarHBondContact O-CB 3.28Å; D65-C68 PolarHBondContact O-N 3.36Å; D65-Y69 WeakPolarHBondContact O-CD2 3.21Å; D65-Y69 VanDerWaalsContact O-CE2 3.3Å; D65-Y69 WeakPolarHBondContact O-CE2 3.36Å
66	L	97.5	Very high	97	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-58.7	-43.1	176.2	-179.4	62.2	0	0	0	112.1	F45 F49 G62 L63 Y64 C68 Y69 P73 V77 V81 F97	F45-L66 HydrophobicContact CD1-CB 4.11Å; F45-L66 HydrophobicContact CD1-CD1 4.11Å; F45-L66 HydrophobicContact CD2-CD1 3.94Å; F45-L66 HydrophobicContact CE1-CB 3.62Å; F45-L66 HydrophobicContact CE1-CD1 4.08Å; F45-L66 HydrophobicContact CE1-CG 4.41Å; F45-L66 HydrophobicContact CE2-CD1 3.92Å; F45-L66 HydrophobicContact CG-CD1 4.04Å; F45-L66 HydrophobicContact CZ-CB 4.01Å; F45-L66 HydrophobicContact CZ-CD1 3.98Å; F49-L66 HydrophobicContact CE2-CD2 4.4Å; G62-L66 VanDerWaalsContact O-CB 3.29Å; G62-L66 WeakPolarHBondContact O-CB 3.41Å; G62-L66 PolarHBondContact O-N 3.29Å; L63-L66 HydrophobicContact CD2-CD2 4.42Å; L63-L66 PolarHBondContact O-N 3Å; Y64-L66 PolarHBondContact O-N 3.36Å; L66-C68 VanDerWaalsContact C-N 3.32Å; L66-C68 PolarHBondContact O-N 3.39Å; L66-Y69 PolarHBondContact O-N 2.88Å; L66-P73 HydrophobicContact CD1-CG 4.25Å; L66-P73 HydrophobicContact CD2-CB 4.2Å; L66-P73 HydrophobicContact CD2-CG 3.89Å; L66-P73 HydrophobicContact CG-CG 4.07Å; L66-V77 HydrophobicContact CD1-CG1 4.43Å; L66-V77 HydrophobicContact CD2-CG1 4.16Å; L66-V81 HydrophobicContact CD2-CG2 4.38Å; L66-F97 HydrophobicContact CD2-CE2 4.22Å
67	H	96.2	Very high	97.1	Very high	58 Å²	58	63.4 Å²	63.4	27%	0.269	30%	0.304	S	S	.	.	H	α-helix	trans	-73.2	-22.2	-178.3	-71	-44.2	0	0	0	113.6	L63 Y64 D65 Y69 F97 K104	L63-H67 VanDerWaalsContact O-CB 3.32Å; L63-H67 WeakPolarHBondContact O-CB 3.34Å; L63-H67 PolarHBondContact O-CD2 3.48Å; L63-H67 PolarHBondContact O-N 2.93Å; Y64-H67 PolarHBondContact O-N 2.95Å; D65-H67 VanDerWaalsContact C-N 3.34Å; D65-H67 PolarHBondContact O-N 3.4Å; H67-Y69 VanDerWaalsContact C-N 3.26Å; H67-Y69 PolarHBondContact O-N 3.25Å; H67-F97 AromaticContact CE1-CD2 3.82Å; H67-F97 AromaticContact CE1-CE2 3.88Å; H67-F97 AromaticContact NE2-CD2 3.76Å; H67-K104 WeakPolarHBondContact ND1-CD 3.32Å; H67-K104 PolarHBondContact O-NZ 3.13Å
68	C	96.4	Very high	97.2	Very high	81 Å²	81	56 Å²	56	55%	0.547	28%	0.276	S	S	.	.	H	α-helix	trans	-69	-19.1	174	-75.4	0	0	0	0	114	Y64 D65 L66	Y64-C68 PolarHBondContact O-N 2.86Å; Y64-C68 PolarHBondContact O-SG 2.87Å; D65-C68 WeakPolarHBondContact O-CB 3.28Å; D65-C68 PolarHBondContact O-N 3.36Å; L66-C68 VanDerWaalsContact C-N 3.32Å; L66-C68 PolarHBondContact O-N 3.39Å
69	Y	95.5	Very high	97.2	Very high	99 Å²	99	55.1 Å²	55.1	39%	0.388	27%	0.274	S	S	.	.	S	Bend	trans	-80.2	142.1	173.7	-66.4	-83.8	0	0	0	111.4	F41 F45 D65 L66 H67 V71 K104	F41-Y69 AromaticContact CE2-CD1 3.67Å; F41-Y69 HydrophobicContact CE2-CD1 3.67Å; F41-Y69 AromaticContact CE2-CD2 3.9Å; F41-Y69 HydrophobicContact CE2-CD2 3.9Å; F41-Y69 AromaticContact CE2-CE1 3.69Å; F41-Y69 HydrophobicContact CE2-CE1 3.69Å; F41-Y69 AromaticContact CE2-CE2 3.95Å; F41-Y69 HydrophobicContact CE2-CE2 3.95Å; F41-Y69 AromaticContact CE2-CG 3.77Å; F41-Y69 HydrophobicContact CE2-CG 3.77Å; F41-Y69 AromaticContact CE2-CZ 3.83Å; F41-Y69 HydrophobicContact CZ-CD1 4.08Å; F41-Y69 AromaticContact CZ-CD2 3.77Å; F41-Y69 HydrophobicContact CZ-CD2 3.77Å; F41-Y69 HydrophobicContact CZ-CE1 4.46Å; F41-Y69 HydrophobicContact CZ-CE2 4.21Å; F41-Y69 AromaticContact CZ-CG 3.71Å; F41-Y69 HydrophobicContact CZ-CG 3.71Å; F45-Y69 HydrophobicContact CE2-CD2 4.35Å; F45-Y69 HydrophobicContact CE2-CE2 4.12Å; F45-Y69 HydrophobicContact CZ-CD2 4.11Å; F45-Y69 AromaticContact CZ-CE2 3.78Å; F45-Y69 HydrophobicContact CZ-CE2 3.78Å; D65-Y69 WeakPolarHBondContact O-CD2 3.21Å; D65-Y69 VanDerWaalsContact O-CE2 3.3Å; D65-Y69 WeakPolarHBondContact O-CE2 3.36Å; L66-Y69 PolarHBondContact O-N 2.88Å; H67-Y69 VanDerWaalsContact C-N 3.26Å; H67-Y69 PolarHBondContact O-N 3.25Å; Y69-V71 PolarHBondContact O-N 2.83Å; Y69-K104 PolarHBondContact O-NZ 3.41Å
70	D	94.6	Very high	97.2	Very high	174 Å²	174	55.3 Å²	55.3	93%	0.93	28%	0.275	S	S	*	.	S	Bend	trans	-80	59.9	174.5	-169	25.1	0	0	0	111.7
71	V	93.7	Very high	97.2	Very high	59 Å²	59	49.2 Å²	49.2	36%	0.358	25%	0.252	S	S	.	.	S	Bend	trans	-142.2	145	-178.2	68.2	0	0	0	0	110.2	F41 Y69 K104	F41-V71 HydrophobicContact CE1-CG1 4.09Å; F41-V71 HydrophobicContact CZ-CG1 4.1Å; Y69-V71 PolarHBondContact O-N 2.83Å; V71-K104 WeakPolarHBondContact O-CE 3.47Å; V71-K104 PolarHBondContact O-NZ 3.26Å
72	V	96.9	Very high	97.3	Very high	31 Å²	31	45.1 Å²	45.1	19%	0.188	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-84.3	124.3	167	-177.4	0	0	0	0	107.8	E74 I101 K104 I112 I116	V72-E74 PolarHBondContact O-N 2.95Å; V72-I101 HydrophobicContact CG1-CG2 4.44Å; V72-K104 HydrophobicContact CG2-CB 4.4Å; V72-K104 WeakPolarHBondContact CG2-O 3.43Å; V72-I112 HydrophobicContact CG1-CG2 4.04Å; V72-I116 HydrophobicContact CG1-CD1 3.49Å; V72-I116 VanDerWaalsContact CG1-CD1 3.49Å
73	P	97.3	Very high	97.3	Very high	4 Å²	4	48.8 Å²	48.8	3%	0.026	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-60.9	135.4	-178.5	-22.5	33	0	0	0	112.4	L66 V77	L66-P73 HydrophobicContact CD1-CG 4.25Å; L66-P73 HydrophobicContact CD2-CB 4.2Å; L66-P73 HydrophobicContact CD2-CG 3.89Å; L66-P73 HydrophobicContact CG-CG 4.07Å; P73-V77 HydrophobicContact CB-CG1 4.45Å
74	E	97.5	Very high	97.3	Very high	85 Å²	85	48.2 Å²	48.2	40%	0.397	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-62.6	151.9	174.2	-75.2	-60.9	143.9	0	0	111.7	D42 V72 T76 V77 A78	D42-E74 WeakPolarHBondContact OD2-CG 3.35Å; V72-E74 PolarHBondContact O-N 2.95Å; E74-T76 PolarHBondContact O-N 3.48Å; E74-T76 VanDerWaalsContact O-N 3.12Å; E74-V77 HydrophobicContact CB-CG2 4.39Å; E74-V77 WeakPolarHBondContact O-CB 3.4Å; E74-V77 PolarHBondContact O-N 3.49Å; E74-A78 PolarHBondContact O-N 2.87Å
75	P	98.2	Very high	97.4	Very high	14 Å²	14	40.7 Å²	40.7	9%	0.091	22%	0.216	C	C	.	.	H	α-helix	trans	-56.3	-31.3	-179.1	-26.4	35	0	0	0	114.1	A78 S79 Y115 E119 L120	P75-A78 PolarHBondContact O-N 3.48Å; P75-S79 VanDerWaalsContact O-CB 3.31Å; P75-S79 WeakPolarHBondContact O-CB 3.45Å; P75-S79 PolarHBondContact O-N 2.83Å; P75-Y115 HydrophobicContact CG-CE1 3.83Å; P75-E119 HydrophobicContact CB-CB 3.63Å; P75-E119 HydrophobicContact CB-CG 4.39Å; P75-E119 HydrophobicContact CG-CB 3.85Å; P75-E119 HydrophobicContact CG-CG 4.13Å; P75-L120 WeakPolarHBondContact O-CD2 3.29Å
76	T	97.9	Very high	97.4	Very high	86 Å²	86	44.5 Å²	44.5	53%	0.528	23%	0.226	S	C	.	.	H	α-helix	trans	-66	-43.7	176.1	52.3	0	0	0	0	112	E74 S79 A80	E74-T76 PolarHBondContact O-N 3.48Å; E74-T76 VanDerWaalsContact O-N 3.12Å; T76-S79 PolarHBondContact O-N 2.71Å; T76-A80 PolarHBondContact O-N 3.19Å
77	V	98.5	Very high	97.4	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.8	-46.5	174.1	-178.1	0	0	0	0	110	D42 F45 I46 L66 P73 E74 S79 A80 V81	D42-V77 HydrophobicContact CB-CG2 3.83Å; F45-V77 HydrophobicContact CB-CG1 3.79Å; I46-V77 HydrophobicContact CD1-CG2 4.22Å; I46-V77 HydrophobicContact CG1-CG2 4.03Å; L66-V77 HydrophobicContact CD1-CG1 4.43Å; L66-V77 HydrophobicContact CD2-CG1 4.16Å; P73-V77 HydrophobicContact CB-CG1 4.45Å; E74-V77 HydrophobicContact CB-CG2 4.39Å; E74-V77 WeakPolarHBondContact O-CB 3.4Å; E74-V77 PolarHBondContact O-N 3.49Å; V77-S79 VanDerWaalsContact C-N 3.31Å; V77-S79 PolarHBondContact O-N 3.36Å; V77-A80 WeakPolarHBondContact O-CB 3.27Å; V77-A80 PolarHBondContact O-N 3.38Å; V77-A80 VanDerWaalsContact O-N 3.17Å; V77-V81 WeakPolarHBondContact O-CG2 3.19Å; V77-V81 PolarHBondContact O-N 2.89Å
78	A	98.4	Very high	97.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-37.4	178.4	0	0	0	0	0	112.7	E74 P75 V81 L82 F97 I101 L120	E74-A78 PolarHBondContact O-N 2.87Å; P75-A78 PolarHBondContact O-N 3.48Å; A78-V81 WeakPolarHBondContact O-CB 3.31Å; A78-V81 PolarHBondContact O-N 3.47Å; A78-L82 WeakPolarHBondContact O-CG 3.44Å; A78-L82 PolarHBondContact O-N 3.46Å; A78-F97 HydrophobicContact CB-CE1 3.8Å; A78-F97 HydrophobicContact CB-CZ 4.01Å; A78-I101 HydrophobicContact CB-CD1 4.03Å; A78-L120 HydrophobicContact CB-CD1 3.8Å; A78-L120 HydrophobicContact CB-CD2 4.04Å; A78-L120 HydrophobicContact CB-CG 4.45Å
79	S	98.4	Very high	97.4	Very high	25 Å²	25	50 Å²	50	18%	0.175	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-45	173	176.4	0	0	0	0	112.1	P75 T76 V77 V81 L82 R83 V123	P75-S79 VanDerWaalsContact O-CB 3.31Å; P75-S79 WeakPolarHBondContact O-CB 3.45Å; P75-S79 PolarHBondContact O-N 2.83Å; T76-S79 PolarHBondContact O-N 2.71Å; V77-S79 VanDerWaalsContact C-N 3.31Å; V77-S79 PolarHBondContact O-N 3.36Å; S79-V81 VanDerWaalsContact C-N 3.34Å; S79-V81 PolarHBondContact O-N 3.17Å; S79-L82 PolarHBondContact O-N 2.95Å; S79-R83 WeakPolarHBondContact O-CG 3.34Å; S79-R83 PolarHBondContact O-N 2.8Å; S79-V123 WeakPolarHBondContact OG-CG2 3.4Å
80	A	98.6	Very high	97.5	Very high	4 Å²	4	47.4 Å²	47.4	3%	0.033	24%	0.239	C	C	.	.	H	α-helix	trans	-61.8	-42.3	176.5	0	0	0	0	0	111.7	I46 F49 T76 V77 R83 A84	I46-A80 HydrophobicContact CG1-CB 4.49Å; F49-A80 HydrophobicContact CB-CB 4Å; T76-A80 PolarHBondContact O-N 3.19Å; V77-A80 WeakPolarHBondContact O-CB 3.27Å; V77-A80 PolarHBondContact O-N 3.38Å; V77-A80 VanDerWaalsContact O-N 3.17Å; A80-R83 PolarHBondContact O-N 3.47Å; A80-A84 WeakPolarHBondContact O-CB 3.48Å; A80-A84 PolarHBondContact O-N 3.12Å
81	V	98.5	Very high	97.6	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59	-52.6	173.8	171.6	0	0	0	0	111.1	F49 L63 L66 V77 A78 S79 R83 A84 C85 F97	F49-V81 HydrophobicContact CD1-CG2 4.24Å; F49-V81 HydrophobicContact CD2-CG2 3.48Å; F49-V81 VanDerWaalsContact CD2-CG2 3.48Å; F49-V81 HydrophobicContact CE1-CG2 4.16Å; F49-V81 HydrophobicContact CE2-CG2 3.39Å; F49-V81 HydrophobicContact CG-CG2 3.93Å; F49-V81 HydrophobicContact CZ-CG2 3.74Å; L63-V81 HydrophobicContact CD1-CG1 4.39Å; L63-V81 HydrophobicContact CD2-CG1 3.69Å; L63-V81 HydrophobicContact CD2-CG2 4.19Å; L63-V81 HydrophobicContact CG-CG1 4.32Å; L66-V81 HydrophobicContact CD2-CG2 4.38Å; V77-V81 WeakPolarHBondContact O-CG2 3.19Å; V77-V81 PolarHBondContact O-N 2.89Å; A78-V81 WeakPolarHBondContact O-CB 3.31Å; A78-V81 PolarHBondContact O-N 3.47Å; S79-V81 VanDerWaalsContact C-N 3.34Å; S79-V81 PolarHBondContact O-N 3.17Å; V81-R83 VanDerWaalsContact C-N 3.29Å; V81-R83 PolarHBondContact O-N 3.24Å; V81-A84 CarbonylContact O-C 3.59Å; V81-A84 WeakPolarHBondContact O-CA 3.5Å; V81-A84 VanDerWaalsContact O-CB 3.31Å; V81-A84 WeakPolarHBondContact O-CB 3.34Å; V81-A84 PolarHBondContact O-N 3.44Å; V81-C85 PolarHBondContact O-N 2.93Å; V81-C85 PolarHBondContact O-SG 3.46Å; V81-F97 HydrophobicContact CB-CD1 4.27Å; V81-F97 HydrophobicContact CB-CE1 3.75Å; V81-F97 HydrophobicContact CB-CE2 4.49Å; V81-F97 HydrophobicContact CB-CZ 3.87Å; V81-F97 HydrophobicContact CG1-CD1 3.59Å; V81-F97 HydrophobicContact CG1-CD2 4.03Å; V81-F97 HydrophobicContact CG1-CE1 3.55Å; V81-F97 HydrophobicContact CG1-CE2 4.01Å; V81-F97 HydrophobicContact CG1-CG 3.81Å; V81-F97 HydrophobicContact CG1-CZ 3.76Å; V81-F97 HydrophobicContact CG2-CE1 4.32Å; V81-F97 HydrophobicContact CG2-CE2 4.36Å; V81-F97 HydrophobicContact CG2-CZ 3.92Å
82	L	98.5	Very high	97.7	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.1	-40	-177.9	-71.6	172.2	0	0	0	112	A78 S79 C85 R86 A94 F97 L120 V123 L124 L127 I129	A78-L82 WeakPolarHBondContact O-CG 3.44Å; A78-L82 PolarHBondContact O-N 3.46Å; S79-L82 PolarHBondContact O-N 2.95Å; L82-C85 WeakPolarHBondContact O-CB 3.47Å; L82-C85 PolarHBondContact O-N 3.01Å; L82-R86 PolarHBondContact O-N 3.22Å; L82-A94 HydrophobicContact CD2-CB 3.98Å; L82-F97 HydrophobicContact CD2-CD1 4.22Å; L82-F97 HydrophobicContact CG-CD1 4.45Å; L82-L120 HydrophobicContact CD1-CD1 4.15Å; L82-L120 HydrophobicContact CD1-CD2 4.25Å; L82-V123 HydrophobicContact CB-CG1 4.34Å; L82-V123 HydrophobicContact CD1-CG1 4.34Å; L82-L124 HydrophobicContact CD1-CD2 3.92Å; L82-L127 HydrophobicContact CB-CD1 4.01Å; L82-I129 HydrophobicContact CD2-CD1 4.17Å
83	R	98.3	Very high	97.7	Very high	78 Å²	78	43.3 Å²	43.3	29%	0.294	22%	0.217	S	C	.	.	H	α-helix	trans	-65.1	-38.9	173.5	-69.3	177.9	-173	-74.6	-2	111.7	S79 A80 V81 R86 R87 E126 L127	S79-R83 WeakPolarHBondContact O-CG 3.34Å; S79-R83 PolarHBondContact O-N 2.8Å; A80-R83 PolarHBondContact O-N 3.47Å; V81-R83 VanDerWaalsContact C-N 3.29Å; V81-R83 PolarHBondContact O-N 3.24Å; R83-R86 PolarHBondContact O-N 3.46Å; R83-R87 WeakPolarHBondContact O-CG 3.41Å; R83-R87 PolarHBondContact O-N 3.22Å; R83-R87 PolarHBondContact O-NH1 2.94Å; R83-E126 IonicContact CZ-OE1 2.68Å; R83-E126 IonicContact CZ-OE2 2.71Å; R83-E126 VanDerWaalsContact NH1-CD 3.27Å; R83-E126 IonicContact NH1-OE1 2.8Å; R83-E126 PolarHBondContact NH1-OE1 2.74Å; R83-E126 IonicContact NH1-OE2 3.5Å; R83-E126 PolarHBondContact NH1-OE2 3.37Å; R83-E126 VanDerWaalsContact NH1-OE2 3.14Å; R83-E126 IonicContact NH2-OE1 2.71Å; R83-E126 IonicContact NH2-OE2 3.77Å; R83-E126 PolarHBondContact NH2-OE2 3.04Å; R83-L127 HydrophobicContact CG-CD1 4.3Å
84	A	98.5	Very high	97.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-44.4	173.7	0	0	0	0	0	111.5	F49 I54 V59 A80 V81 R86 R87 V88	F49-A84 HydrophobicContact CB-CB 4.22Å; F49-A84 HydrophobicContact CD1-CB 4.13Å; I54-A84 HydrophobicContact CG2-CB 4.32Å; V59-A84 HydrophobicContact CG2-CB 4.08Å; A80-A84 WeakPolarHBondContact O-CB 3.48Å; A80-A84 PolarHBondContact O-N 3.12Å; V81-A84 CarbonylContact O-C 3.59Å; V81-A84 WeakPolarHBondContact O-CA 3.5Å; V81-A84 VanDerWaalsContact O-CB 3.31Å; V81-A84 WeakPolarHBondContact O-CB 3.34Å; V81-A84 PolarHBondContact O-N 3.44Å; A84-R86 VanDerWaalsContact C-N 3.28Å; A84-R86 PolarHBondContact O-N 3.3Å; A84-R87 PolarHBondContact O-N 2.89Å; A84-R87 VanDerWaalsContact O-N 3.12Å; A84-V88 WeakPolarHBondContact O-CG2 3.43Å; A84-V88 PolarHBondContact O-N 2.83Å; A84-V88 VanDerWaalsContact O-N 3.08Å
85	C	98.1	Very high	97.7	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.014	20%	0.2	C	C	.	.	H	α-helix	trans	-56.3	-42.4	174.3	-55.5	0	0	0	0	111.6	V81 L82 V88 N89 D90 L93 A94	V81-C85 PolarHBondContact O-N 2.93Å; V81-C85 PolarHBondContact O-SG 3.46Å; L82-C85 WeakPolarHBondContact O-CB 3.47Å; L82-C85 PolarHBondContact O-N 3.01Å; C85-V88 WeakPolarHBondContact O-CG2 3.23Å; C85-V88 PolarHBondContact O-N 3.43Å; C85-N89 PolarHBondContact O-N 3.45Å; C85-D90 PolarHBondContact O-N 3.43Å; C85-L93 HydrophobicContact CB-CD2 4.3Å; C85-L93 WeakPolarHBondContact SG-CD2 3.4Å; C85-A94 HydrophobicContact CB-CB 3.81Å
86	R	97.2	Very high	97.6	Very high	134 Å²	134	47.4 Å²	47.4	51%	0.506	23%	0.228	S	C	.	.	H	α-helix	trans	-63.8	-42.1	176.6	-174.1	71.5	-179.5	106.8	-4.4	112.3	L82 R83 A84 N89 L127	L82-R86 PolarHBondContact O-N 3.22Å; R83-R86 PolarHBondContact O-N 3.46Å; A84-R86 VanDerWaalsContact C-N 3.28Å; A84-R86 PolarHBondContact O-N 3.3Å; R86-N89 PolarHBondContact NH1-OD1 2.98Å; R86-N89 PolarHBondContact O-N 2.99Å; R86-N89 VanDerWaalsContact O-N 3.12Å; R86-L127 HydrophobicContact CB-CD1 4.37Å; R86-L127 HydrophobicContact CB-CD2 4.09Å; R86-L127 HydrophobicContact CG-CD2 3.93Å
87	R	97.2	Very high	97.6	Very high	96 Å²	96	43.5 Å²	43.5	36%	0.362	20%	0.204	S	C	.	.	H	α-helix	trans	-63.8	-39.1	178.9	-67.7	-164.4	-51.8	-78.4	3.4	112.3	F49 Q51 P52 R83 A84 N89	F49-R87 PolarHBondContact O-NH2 3.5Å; Q51-R87 PolarHBondContact O-NH2 2.68Å; P52-R87 PolarHBondContact O-NE 3.33Å; R83-R87 WeakPolarHBondContact O-CG 3.41Å; R83-R87 PolarHBondContact O-N 3.22Å; R83-R87 PolarHBondContact O-NH1 2.94Å; A84-R87 PolarHBondContact O-N 2.89Å; A84-R87 VanDerWaalsContact O-N 3.12Å; R87-N89 PolarHBondContact O-N 2.89Å
88	V	97.2	Very high	97.5	Very high	39 Å²	39	43.5 Å²	43.5	24%	0.236	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-0.2	175.5	-56.7	0	0	0	0	113.4	I54 V59 A84 C85 D90	I54-V88 HydrophobicContact CG2-CG1 4.28Å; I54-V88 WeakPolarHBondContact O-CG1 3.35Å; V59-V88 HydrophobicContact CG2-CG1 3.87Å; V59-V88 HydrophobicContact CG2-CG2 4.28Å; A84-V88 WeakPolarHBondContact O-CG2 3.43Å; A84-V88 PolarHBondContact O-N 2.83Å; A84-V88 VanDerWaalsContact O-N 3.08Å; C85-V88 WeakPolarHBondContact O-CG2 3.23Å; C85-V88 PolarHBondContact O-N 3.43Å; V88-D90 VanDerWaalsContact C-N 3.26Å; V88-D90 HydrophobicContact CG2-CB 3.87Å; V88-D90 PolarHBondContact O-N 3.36Å
89	N	96.3	Very high	97.4	Very high	121 Å²	121	46.9 Å²	46.9	65%	0.647	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	36.4	-178.2	-163.4	52.7	0	0	0	114	C85 R86 R87	C85-N89 PolarHBondContact O-N 3.45Å; R86-N89 PolarHBondContact NH1-OD1 2.98Å; R86-N89 PolarHBondContact O-N 2.99Å; R86-N89 VanDerWaalsContact O-N 3.12Å; R87-N89 PolarHBondContact O-N 2.89Å
90	D	97.4	Very high	97.2	Very high	43 Å²	43	47 Å²	47	23%	0.23	22%	0.222	C	C	.	.			trans	-104.9	84.7	177.9	-165	-21.7	0	0	0	110.2	R60 C85 V88 A92 L93 A94	R60-D90 IonicContact NH1-OD2 3.34Å; C85-D90 PolarHBondContact O-N 3.43Å; V88-D90 VanDerWaalsContact C-N 3.26Å; V88-D90 HydrophobicContact CG2-CB 3.87Å; V88-D90 PolarHBondContact O-N 3.36Å; D90-A92 PolarHBondContact OD1-N 3.15Å; D90-L93 HydrophobicContact CB-CB 3.95Å; D90-L93 VanDerWaalsContact OD1-CB 3.24Å; D90-L93 WeakPolarHBondContact OD1-CB 3.25Å; D90-L93 PolarHBondContact OD1-N 2.71Å; D90-L93 WeakPolarHBondContact OD2-CB 3.28Å; D90-A94 PolarHBondContact O-N 3.46Å
91	F	96.6	Very high	97.1	Very high	102 Å²	102	46.9 Å²	46.9	45%	0.447	22%	0.221	S	C	.	.	H	α-helix	trans	-65.5	-39.3	179.6	177.6	-97.1	0	0	0	112.1	L93 A94 V95 I129 P130 M135	F91-L93 VanDerWaalsContact C-N 3.3Å; F91-L93 PolarHBondContact O-N 2.88Å; F91-A94 WeakPolarHBondContact O-CB 3.31Å; F91-A94 PolarHBondContact O-N 3.48Å; F91-V95 HydrophobicContact CD1-CG2 4.24Å; F91-V95 HydrophobicContact CE1-CG2 3.74Å; F91-V95 HydrophobicContact CE2-CG2 4.41Å; F91-V95 HydrophobicContact CZ-CG2 3.84Å; F91-V95 PolarHBondContact O-N 2.95Å; F91-V95 VanDerWaalsContact O-N 3.13Å; F91-I129 HydrophobicContact CE2-CG1 4.47Å; F91-I129 HydrophobicContact CE2-CG2 4.42Å; F91-P130 HydrophobicContact CZ-CG 4Å; F91-M135 HydrophobicContact CE1-CE 4.3Å; F91-M135 HydrophobicContact CZ-SD 4.5Å
92	A	96	Very high	96.9	Very high	59 Å²	59	48.8 Å²	48.8	49%	0.488	23%	0.229	S	C	.	.	H	α-helix	trans	-64.1	-38.5	-179.4	0	0	0	0	0	111.3	D90 V95 R96	D90-A92 PolarHBondContact OD1-N 3.15Å; A92-V95 PolarHBondContact O-N 3.2Å; A92-R96 WeakPolarHBondContact O-CB 3.48Å; A92-R96 VanDerWaalsContact O-CG 3.27Å; A92-R96 WeakPolarHBondContact O-CG 3.45Å; A92-R96 PolarHBondContact O-N 2.93Å
93	L	97.3	Very high	96.6	Very high	17 Å²	17	53.2 Å²	53.2	9%	0.089	26%	0.256	C	S	.	.	H	α-helix	trans	-66.3	-37.5	176.2	-175.4	160.7	0	0	0	112.1	V59 R60 L63 C85 D90 F91 R96 F97	V59-L93 HydrophobicContact CG1-CD1 4.14Å; V59-L93 HydrophobicContact CG1-CD2 3.88Å; R60-L93 HydrophobicContact CG-CD1 3.43Å; R60-L93 VanDerWaalsContact CG-CD1 3.43Å; L63-L93 HydrophobicContact CD1-CD1 4.38Å; L63-L93 HydrophobicContact CD1-CD2 3.36Å; L63-L93 HydrophobicContact CD1-CG 3.98Å; C85-L93 HydrophobicContact CB-CD2 4.3Å; C85-L93 WeakPolarHBondContact SG-CD2 3.4Å; D90-L93 HydrophobicContact CB-CB 3.95Å; D90-L93 VanDerWaalsContact OD1-CB 3.24Å; D90-L93 WeakPolarHBondContact OD1-CB 3.25Å; D90-L93 PolarHBondContact OD1-N 2.71Å; D90-L93 WeakPolarHBondContact OD2-CB 3.28Å; F91-L93 VanDerWaalsContact C-N 3.3Å; F91-L93 PolarHBondContact O-N 2.88Å; L93-R96 PolarHBondContact O-N 3.39Å; L93-F97 WeakPolarHBondContact O-CB 3.49Å; L93-F97 PolarHBondContact O-N 2.92Å
94	A	98	Very high	96.4	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.008	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-45.6	173.8	0	0	0	0	0	112.5	L82 C85 D90 F91 F97 L98 I129	L82-A94 HydrophobicContact CD2-CB 3.98Å; C85-A94 HydrophobicContact CB-CB 3.81Å; D90-A94 PolarHBondContact O-N 3.46Å; F91-A94 WeakPolarHBondContact O-CB 3.31Å; F91-A94 PolarHBondContact O-N 3.48Å; A94-F97 WeakPolarHBondContact O-CB 3.42Å; A94-F97 PolarHBondContact O-N 2.88Å; A94-L98 PolarHBondContact O-N 3.49Å; A94-I129 HydrophobicContact CB-CD1 3.99Å; A94-I129 HydrophobicContact CB-CG2 4.48Å
95	V	97	Very high	96.3	Very high	9 Å²	9	52.6 Å²	52.6	6%	0.055	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-46.3	177	177	0	0	0	0	110.5	F91 A92 F97 L98 E99 P132 M135	F91-V95 HydrophobicContact CD1-CG2 4.24Å; F91-V95 HydrophobicContact CE1-CG2 3.74Å; F91-V95 HydrophobicContact CE2-CG2 4.41Å; F91-V95 HydrophobicContact CZ-CG2 3.84Å; F91-V95 PolarHBondContact O-N 2.95Å; F91-V95 VanDerWaalsContact O-N 3.13Å; A92-V95 PolarHBondContact O-N 3.2Å; V95-F97 PolarHBondContact O-N 3.42Å; V95-L98 WeakPolarHBondContact O-CB 3.41Å; V95-L98 PolarHBondContact O-N 3.4Å; V95-L98 VanDerWaalsContact O-N 3.08Å; V95-E99 PolarHBondContact O-N 3Å; V95-E99 VanDerWaalsContact O-N 3.1Å; V95-P132 HydrophobicContact CG1-CG 4.3Å; V95-M135 HydrophobicContact CG1-SD 4.01Å; V95-M135 HydrophobicContact CG2-SD 3.91Å
96	R	95.6	Very high	95.9	Very high	180 Å²	180	53 Å²	53	68%	0.679	26%	0.261	S	S	*	.	H	α-helix	trans	-60.9	-32.6	176.6	-74.2	177.9	66.2	120.8	5.4	113.4	A92 L93 E99 A100	A92-R96 WeakPolarHBondContact O-CB 3.48Å; A92-R96 VanDerWaalsContact O-CG 3.27Å; A92-R96 WeakPolarHBondContact O-CG 3.45Å; A92-R96 PolarHBondContact O-N 2.93Å; L93-R96 PolarHBondContact O-N 3.39Å; R96-E99 WeakPolarHBondContact CA-OE2 3.49Å; R96-E99 PolarHBondContact O-N 3.24Å; R96-A100 WeakPolarHBondContact O-CB 3.31Å; R96-A100 PolarHBondContact O-N 3.45Å
97	F	97.8	Very high	95.6	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-66.7	-40.3	174.9	175.5	-115	0	0	0	111.9	L63 L66 H67 A78 V81 L82 L93 A94 V95 A100 I101	L63-F97 HydrophobicContact CD2-CD2 3.35Å; L63-F97 HydrophobicContact CD2-CE2 3.5Å; L63-F97 VanDerWaalsContact CD2-CE2 3.5Å; L63-F97 HydrophobicContact CD2-CG 4.21Å; L63-F97 HydrophobicContact CD2-CZ 4.45Å; L66-F97 HydrophobicContact CD2-CE2 4.22Å; H67-F97 AromaticContact CE1-CD2 3.82Å; H67-F97 AromaticContact CE1-CE2 3.88Å; H67-F97 AromaticContact NE2-CD2 3.76Å; A78-F97 HydrophobicContact CB-CE1 3.8Å; A78-F97 HydrophobicContact CB-CZ 4.01Å; V81-F97 HydrophobicContact CB-CD1 4.27Å; V81-F97 HydrophobicContact CB-CE1 3.75Å; V81-F97 HydrophobicContact CB-CE2 4.49Å; V81-F97 HydrophobicContact CB-CZ 3.87Å; V81-F97 HydrophobicContact CG1-CD1 3.59Å; V81-F97 HydrophobicContact CG1-CD2 4.03Å; V81-F97 HydrophobicContact CG1-CE1 3.55Å; V81-F97 HydrophobicContact CG1-CE2 4.01Å; V81-F97 HydrophobicContact CG1-CG 3.81Å; V81-F97 HydrophobicContact CG1-CZ 3.76Å; V81-F97 HydrophobicContact CG2-CE1 4.32Å; V81-F97 HydrophobicContact CG2-CE2 4.36Å; V81-F97 HydrophobicContact CG2-CZ 3.92Å; L82-F97 HydrophobicContact CD2-CD1 4.22Å; L82-F97 HydrophobicContact CG-CD1 4.45Å; L93-F97 WeakPolarHBondContact O-CB 3.49Å; L93-F97 PolarHBondContact O-N 2.92Å; A94-F97 WeakPolarHBondContact O-CB 3.42Å; A94-F97 PolarHBondContact O-N 2.88Å; V95-F97 PolarHBondContact O-N 3.42Å; F97-A100 PolarHBondContact O-N 3.31Å; F97-I101 HydrophobicContact CD1-CD1 3.88Å; F97-I101 HydrophobicContact CD2-CD1 4.48Å; F97-I101 HydrophobicContact CE1-CD1 3.37Å; F97-I101 HydrophobicContact CE1-CG1 4.31Å; F97-I101 HydrophobicContact CE2-CD1 4.05Å; F97-I101 HydrophobicContact CE2-CG1 4.11Å; F97-I101 HydrophobicContact CG-CD1 4.43Å; F97-I101 HydrophobicContact CZ-CD1 3.47Å; F97-I101 VanDerWaalsContact CZ-CD1 3.47Å; F97-I101 HydrophobicContact CZ-CG1 4.02Å; F97-I101 WeakPolarHBondContact O-CG1 3.45Å; F97-I101 PolarHBondContact O-N 3.19Å
98	L	97.4	Very high	95.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.8	-40.3	174.2	-65.7	174.9	0	0	0	112	A94 V95 A100 I101 K102 I117 L120 L124 I129 P132	A94-L98 PolarHBondContact O-N 3.49Å; V95-L98 WeakPolarHBondContact O-CB 3.41Å; V95-L98 PolarHBondContact O-N 3.4Å; V95-L98 VanDerWaalsContact O-N 3.08Å; L98-A100 VanDerWaalsContact C-N 3.34Å; L98-I101 PolarHBondContact O-N 3.02Å; L98-K102 PolarHBondContact O-N 3.36Å; L98-K102 VanDerWaalsContact O-N 3.12Å; L98-I117 HydrophobicContact CD2-CD1 4.33Å; L98-L120 HydrophobicContact CD2-CD1 4.33Å; L98-L124 HydrophobicContact CD1-CD2 4Å; L98-I129 HydrophobicContact CD1-CG2 4.28Å; L98-P132 HydrophobicContact CB-CG 4.04Å
99	E	94.8	Very high	95.2	Very high	71 Å²	71	54.4 Å²	54.4	33%	0.332	27%	0.266	S	S	.	.	H	α-helix	trans	-60.4	-44.9	172.2	-63.6	176.7	119.6	0	0	111.1	V95 R96 I101 K102 V103 P132	V95-E99 PolarHBondContact O-N 3Å; V95-E99 VanDerWaalsContact O-N 3.1Å; R96-E99 WeakPolarHBondContact CA-OE2 3.49Å; R96-E99 PolarHBondContact O-N 3.24Å; E99-I101 PolarHBondContact O-N 3.12Å; E99-K102 WeakPolarHBondContact O-CB 3.28Å; E99-K102 PolarHBondContact O-N 3.03Å; E99-V103 WeakPolarHBondContact O-CG2 3.32Å; E99-V103 PolarHBondContact O-N 3.47Å; E99-P132 HydrophobicContact CG-CB 4.02Å; E99-P132 HydrophobicContact CG-CG 3.64Å
100	A	95.5	Very high	95	Very high	28 Å²	28	54.9 Å²	54.9	23%	0.231	26%	0.263	C	S	.	.	H	α-helix	trans	-63.2	-40.4	179.1	0	0	0	0	0	112.5	R96 F97 L98 V103 K104	R96-A100 WeakPolarHBondContact O-CB 3.31Å; R96-A100 PolarHBondContact O-N 3.45Å; F97-A100 PolarHBondContact O-N 3.31Å; L98-A100 VanDerWaalsContact C-N 3.34Å; A100-V103 PolarHBondContact O-N 3.1Å; A100-K104 WeakPolarHBondContact O-CG 3.09Å; A100-K104 PolarHBondContact O-N 3.05Å
101	I	96.5	Very high	94.9	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-60.1	-46.4	173.7	-70.7	166.3	0	0	0	110.4	V72 A78 F97 L98 E99 V103 K104 C105 Y113 I116	V72-I101 HydrophobicContact CG1-CG2 4.44Å; A78-I101 HydrophobicContact CB-CD1 4.03Å; F97-I101 HydrophobicContact CD1-CD1 3.88Å; F97-I101 HydrophobicContact CD2-CD1 4.48Å; F97-I101 HydrophobicContact CE1-CD1 3.37Å; F97-I101 HydrophobicContact CE1-CG1 4.31Å; F97-I101 HydrophobicContact CE2-CD1 4.05Å; F97-I101 HydrophobicContact CE2-CG1 4.11Å; F97-I101 HydrophobicContact CG-CD1 4.43Å; F97-I101 HydrophobicContact CZ-CD1 3.47Å; F97-I101 VanDerWaalsContact CZ-CD1 3.47Å; F97-I101 HydrophobicContact CZ-CG1 4.02Å; F97-I101 WeakPolarHBondContact O-CG1 3.45Å; F97-I101 PolarHBondContact O-N 3.19Å; L98-I101 PolarHBondContact O-N 3.02Å; E99-I101 PolarHBondContact O-N 3.12Å; I101-V103 VanDerWaalsContact C-N 3.29Å; I101-V103 PolarHBondContact O-N 3.15Å; I101-K104 PolarHBondContact O-N 3.36Å; I101-K104 VanDerWaalsContact O-N 3.15Å; I101-C105 PolarHBondContact O-N 3.35Å; I101-C105 VanDerWaalsContact O-N 3.1Å; I101-C105 PolarHBondContact O-SG 3.31Å; I101-Y113 HydrophobicContact CG2-CD2 4.12Å; I101-Y113 HydrophobicContact CG2-CE2 4.35Å; I101-I116 HydrophobicContact CG2-CD1 3.57Å; I101-I116 HydrophobicContact CG2-CG2 4.18Å
102	K	94.3	Very high	94.9	Very high	39 Å²	39	56.9 Å²	56.9	17%	0.17	27%	0.273	C	S	.	.	H	α-helix	trans	-56.6	-44.7	178.6	-169.2	175.7	-178.6	174.5	0	111.4	L98 E99 C105 V109 Y113 E133	L98-K102 PolarHBondContact O-N 3.36Å; L98-K102 VanDerWaalsContact O-N 3.12Å; E99-K102 WeakPolarHBondContact O-CB 3.28Å; E99-K102 PolarHBondContact O-N 3.03Å; K102-C105 WeakPolarHBondContact O-CB 3.29Å; K102-C105 PolarHBondContact O-N 3.22Å; K102-V109 HydrophobicContact CG-CG2 3.67Å; K102-V109 WeakPolarHBondContact O-CG2 3.46Å; K102-Y113 HydrophobicContact CB-CD2 3.78Å; K102-Y113 HydrophobicContact CB-CE1 4.38Å; K102-Y113 HydrophobicContact CB-CE2 3.59Å; K102-Y113 HydrophobicContact CB-CG 4.25Å; K102-Y113 HydrophobicContact CD-CD1 4.26Å; K102-Y113 HydrophobicContact CD-CE1 3.91Å; K102-Y113 HydrophobicContact CG-CD1 4.07Å; K102-Y113 HydrophobicContact CG-CD2 4.12Å; K102-Y113 HydrophobicContact CG-CE1 4.11Å; K102-Y113 HydrophobicContact CG-CE2 4.17Å; K102-Y113 HydrophobicContact CG-CG 4.06Å; K102-E133 IonicContact NZ-OE1 3.26Å; K102-E133 PolarHBondContact NZ-OE1 3.17Å
103	V	91.8	Very high	94.9	Very high	94 Å²	94	54.8 Å²	54.8	57%	0.57	25%	0.253	S	S	*	.	H	α-helix	trans	-66	-42	176.9	175	0	0	0	0	111.8	E99 A100 I101 C105 G106 Y158	E99-V103 WeakPolarHBondContact O-CG2 3.32Å; E99-V103 PolarHBondContact O-N 3.47Å; A100-V103 PolarHBondContact O-N 3.1Å; I101-V103 VanDerWaalsContact C-N 3.29Å; I101-V103 PolarHBondContact O-N 3.15Å; V103-C105 PolarHBondContact O-N 2.92Å; V103-G106 PolarHBondContact O-N 3.33Å; V103-Y158 PolarHBondContact O-OH 3.25Å
104	K	95	Very high	94.9	Very high	57 Å²	57	57.2 Å²	57.2	25%	0.248	27%	0.27	C	S	.	.	H	α-helix	trans	-64.5	-24.5	178.9	-75.5	-176.8	72.8	79.7	0	113.4	H67 Y69 V71 V72 A100 I101 G106	H67-K104 WeakPolarHBondContact ND1-CD 3.32Å; H67-K104 PolarHBondContact O-NZ 3.13Å; Y69-K104 PolarHBondContact O-NZ 3.41Å; V71-K104 WeakPolarHBondContact O-CE 3.47Å; V71-K104 PolarHBondContact O-NZ 3.26Å; V72-K104 HydrophobicContact CG2-CB 4.4Å; V72-K104 WeakPolarHBondContact CG2-O 3.43Å; A100-K104 WeakPolarHBondContact O-CG 3.09Å; A100-K104 PolarHBondContact O-N 3.05Å; I101-K104 PolarHBondContact O-N 3.36Å; I101-K104 VanDerWaalsContact O-N 3.15Å; K104-G106 PolarHBondContact O-N 2.94Å
105	C	95	Very high	94.9	Very high	7 Å²	7	62.4 Å²	62.4	5%	0.047	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.6	174.5	-61.5	0	0	0	0	113.2	I101 K102 V103 R107 K108 V109 I112	I101-C105 PolarHBondContact O-N 3.35Å; I101-C105 VanDerWaalsContact O-N 3.1Å; I101-C105 PolarHBondContact O-SG 3.31Å; K102-C105 WeakPolarHBondContact O-CB 3.29Å; K102-C105 PolarHBondContact O-N 3.22Å; V103-C105 PolarHBondContact O-N 2.92Å; C105-R107 PolarHBondContact O-N 3.41Å; C105-K108 PolarHBondContact O-N 3.19Å; C105-K108 VanDerWaalsContact O-N 3.08Å; C105-V109 HydrophobicContact CB-CB 3.82Å; C105-V109 HydrophobicContact CB-CG2 4.06Å; C105-V109 PolarHBondContact O-N 3.38Å; C105-I112 HydrophobicContact CB-CB 4.23Å
106	G	90.7	Very high	95	Very high	11 Å²	11	62.1 Å²	62.1	11%	0.113	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	51.3	-127.8	173.9	0	0	0	0	0	113.1	V103 K104 K108 V109	V103-G106 PolarHBondContact O-N 3.33Å; K104-G106 PolarHBondContact O-N 2.94Å; G106-K108 PolarHBondContact O-N 3.41Å; G106-K108 VanDerWaalsContact O-N 3.16Å; G106-V109 WeakPolarHBondContact O-CB 3.43Å; G106-V109 WeakPolarHBondContact O-CG1 3.43Å; G106-V109 PolarHBondContact O-N 3.46Å; G106-V109 VanDerWaalsContact O-N 3.14Å
107	R	91.1	Very high	95.1	Very high	170 Å²	170	54.8 Å²	54.8	64%	0.642	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-60.3	-26.9	-177.4	-62.5	179.2	-172.1	-142.1	-4.1	113.7	C105 E153 Y154	C105-R107 PolarHBondContact O-N 3.41Å; R107-E153 WeakPolarHBondContact CD-OE1 3.39Å; R107-E153 IonicContact CZ-OE1 3.35Å; R107-E153 IonicContact NE-OE1 2.7Å; R107-E153 PolarHBondContact NE-OE1 3.12Å; R107-E153 VanDerWaalsContact NE-OE1 3.07Å; R107-E153 IonicContact NH1-OE1 3.07Å; R107-E153 PolarHBondContact NH1-OE1 2.82Å; R107-E153 IonicContact NH2-OE1 3.04Å; R107-E153 PolarHBondContact NH2-OE1 2.82Å; R107-Y154 HydrophobicContact CG-CE1 4.01Å
108	K	92.8	Very high	95.1	Very high	119 Å²	119	61 Å²	61	52%	0.517	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-99.9	18.1	-177.9	-65.4	-171.1	175.4	-172	0	112.9	C105 G106 K110 E111 I112	C105-K108 PolarHBondContact O-N 3.19Å; C105-K108 VanDerWaalsContact O-N 3.08Å; G106-K108 PolarHBondContact O-N 3.41Å; G106-K108 VanDerWaalsContact O-N 3.16Å; K108-K110 PolarHBondContact O-N 3.31Å; K108-K110 VanDerWaalsContact O-N 3.15Å; K108-E111 PolarHBondContact O-N 3.01Å; K108-I112 HydrophobicContact CB-CD1 3.57Å; K108-I112 HydrophobicContact CB-CG1 3.93Å; K108-I112 HydrophobicContact CD-CD1 4.24Å; K108-I112 PolarHBondContact O-N 3.31Å
109	V	93.3	Very high	95.2	Very high	10 Å²	10	65.1 Å²	65.1	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-54.5	-34.7	178.7	68.2	0	0	0	0	113.2	K102 C105 G106 E111 Y113 P114 I157	K102-V109 HydrophobicContact CG-CG2 3.67Å; K102-V109 WeakPolarHBondContact O-CG2 3.46Å; C105-V109 HydrophobicContact CB-CB 3.82Å; C105-V109 HydrophobicContact CB-CG2 4.06Å; C105-V109 PolarHBondContact O-N 3.38Å; G106-V109 WeakPolarHBondContact O-CB 3.43Å; G106-V109 WeakPolarHBondContact O-CG1 3.43Å; G106-V109 PolarHBondContact O-N 3.46Å; G106-V109 VanDerWaalsContact O-N 3.14Å; V109-E111 PolarHBondContact O-N 3.25Å; V109-Y113 HydrophobicContact CG2-CG 4.48Å; V109-Y113 WeakPolarHBondContact O-CB 3.34Å; V109-Y113 PolarHBondContact O-N 3.45Å; V109-P114 VanDerWaalsContact O-CD 3.29Å; V109-P114 WeakPolarHBondContact O-CD 3.4Å; V109-I157 HydrophobicContact CG1-CG2 3.23Å
110	K	92.2	Very high	95.4	Very high	130 Å²	130	61.8 Å²	61.8	57%	0.565	30%	0.295	S	S	*	.	H	α-helix	trans	-68.2	-20.5	177.6	-63.7	-177.6	-177.9	175.9	0	113.5	K108 P114 E156	K108-K110 PolarHBondContact O-N 3.31Å; K108-K110 VanDerWaalsContact O-N 3.15Å; K110-P114 WeakPolarHBondContact O-CG 3.47Å; K110-E156 IonicContact NZ-OE1 2.75Å
111	E	94.3	Very high	95.5	Very high	137 Å²	137	64.7 Å²	64.7	64%	0.64	30%	0.3	S	S	*	.	H	α-helix	trans	-100.3	-49.1	-179.6	-64.5	167.7	-149.8	0	0	111.1	K108 V109	K108-E111 PolarHBondContact O-N 3.01Å; V109-E111 PolarHBondContact O-N 3.25Å
112	I	96.9	Very high	95.6	Very high	50 Å²	50	68.8 Å²	68.8	26%	0.256	33%	0.327	S	S	.	.	H	α-helix	trans	-82.1	-44.3	-169.5	-58.7	173.5	0	0	0	111.6	V72 C105 K108 Y115 I116	V72-I112 HydrophobicContact CG1-CG2 4.04Å; C105-I112 HydrophobicContact CB-CB 4.23Å; K108-I112 HydrophobicContact CB-CD1 3.57Å; K108-I112 HydrophobicContact CB-CG1 3.93Å; K108-I112 HydrophobicContact CD-CD1 4.24Å; K108-I112 PolarHBondContact O-N 3.31Å; I112-Y115 WeakPolarHBondContact O-CB 3.48Å; I112-Y115 PolarHBondContact O-N 3.15Å; I112-I116 HydrophobicContact CG2-CD1 3.76Å; I112-I116 HydrophobicContact CG2-CG1 4.29Å; I112-I116 WeakPolarHBondContact O-CG1 3.17Å; I112-I116 PolarHBondContact O-N 2.89Å
113	Y	96.6	Very high	95.8	Very high	15 Å²	15	67.6 Å²	67.6	6%	0.059	32%	0.322	C	S	.	.	H	α-helix	trans	-64.6	-43.4	-174.5	-173.2	-111.3	0	0	0	112.8	I101 K102 V109 Y115 I116 I117 E133	I101-Y113 HydrophobicContact CG2-CD2 4.12Å; I101-Y113 HydrophobicContact CG2-CE2 4.35Å; K102-Y113 HydrophobicContact CB-CD2 3.78Å; K102-Y113 HydrophobicContact CB-CE1 4.38Å; K102-Y113 HydrophobicContact CB-CE2 3.59Å; K102-Y113 HydrophobicContact CB-CG 4.25Å; K102-Y113 HydrophobicContact CD-CD1 4.26Å; K102-Y113 HydrophobicContact CD-CE1 3.91Å; K102-Y113 HydrophobicContact CG-CD1 4.07Å; K102-Y113 HydrophobicContact CG-CD2 4.12Å; K102-Y113 HydrophobicContact CG-CE1 4.11Å; K102-Y113 HydrophobicContact CG-CE2 4.17Å; K102-Y113 HydrophobicContact CG-CG 4.06Å; V109-Y113 HydrophobicContact CG2-CG 4.48Å; V109-Y113 WeakPolarHBondContact O-CB 3.34Å; V109-Y113 PolarHBondContact O-N 3.45Å; Y113-Y115 VanDerWaalsContact C-N 3.3Å; Y113-Y115 PolarHBondContact O-N 3.17Å; Y113-I116 PolarHBondContact O-N 3.28Å; Y113-I117 HydrophobicContact CD1-CG1 4.1Å; Y113-I117 HydrophobicContact CD2-CG1 4.33Å; Y113-I117 HydrophobicContact CE1-CD1 4.24Å; Y113-I117 HydrophobicContact CE1-CG1 3.74Å; Y113-I117 HydrophobicContact CE2-CD1 3.93Å; Y113-I117 HydrophobicContact CE2-CG1 3.99Å; Y113-I117 HydrophobicContact CG-CG1 4.39Å; Y113-I117 WeakPolarHBondContact O-CG1 3.44Å; Y113-I117 PolarHBondContact O-N 3.03Å; Y113-E133 WeakPolarHBondContact CE1-OE1 2.74Å
114	P	97	Very high	96.1	Very high	69 Å²	69	63.1 Å²	63.1	45%	0.448	30%	0.295	S	S	.	.	H	α-helix	trans	-59	-38.9	174.1	-26.8	36.9	0	0	0	113.4	V109 K110 I117 Q118	V109-P114 VanDerWaalsContact O-CD 3.29Å; V109-P114 WeakPolarHBondContact O-CD 3.4Å; K110-P114 WeakPolarHBondContact O-CG 3.47Å; P114-I117 PolarHBondContact O-N 2.93Å; P114-Q118 WeakPolarHBondContact O-CB 3.4Å; P114-Q118 PolarHBondContact O-N 3.16Å
115	Y	98	Very high	96.2	Very high	109 Å²	109	65.2 Å²	65.2	43%	0.427	31%	0.309	S	S	.	.	H	α-helix	trans	-60.9	-48.6	174.1	162.6	-107.2	0	0	0	111.3	P75 I112 Y113 I117 Q118 E119	P75-Y115 HydrophobicContact CG-CE1 3.83Å; I112-Y115 WeakPolarHBondContact O-CB 3.48Å; I112-Y115 PolarHBondContact O-N 3.15Å; Y113-Y115 VanDerWaalsContact C-N 3.3Å; Y113-Y115 PolarHBondContact O-N 3.17Å; Y115-I117 VanDerWaalsContact C-N 3.34Å; Y115-I117 PolarHBondContact O-N 3.44Å; Y115-Q118 WeakPolarHBondContact O-CB 3.44Å; Y115-Q118 PolarHBondContact O-N 2.98Å; Y115-E119 HydrophobicContact CD2-CG 3.94Å; Y115-E119 HydrophobicContact CE2-CG 3.49Å; Y115-E119 VanDerWaalsContact CE2-CG 3.49Å; Y115-E119 WeakPolarHBondContact O-CG 3.48Å; Y115-E119 PolarHBondContact O-N 3.23Å
116	I	98.3	Very high	96.4	Very high	3 Å²	3	70.6 Å²	70.6	2%	0.015	33%	0.334	C	S	.	.	H	α-helix	trans	-60.9	-43.7	178.5	-65.8	172.6	0	0	0	111.2	V72 I101 I112 Y113 Q118 E119 L120	V72-I116 HydrophobicContact CG1-CD1 3.49Å; V72-I116 VanDerWaalsContact CG1-CD1 3.49Å; I101-I116 HydrophobicContact CG2-CD1 3.57Å; I101-I116 HydrophobicContact CG2-CG2 4.18Å; I112-I116 HydrophobicContact CG2-CD1 3.76Å; I112-I116 HydrophobicContact CG2-CG1 4.29Å; I112-I116 WeakPolarHBondContact O-CG1 3.17Å; I112-I116 PolarHBondContact O-N 2.89Å; Y113-I116 PolarHBondContact O-N 3.28Å; I116-Q118 VanDerWaalsContact C-N 3.35Å; I116-Q118 PolarHBondContact O-N 3.34Å; I116-E119 PolarHBondContact O-N 3.38Å; I116-L120 HydrophobicContact CG2-CD1 3.55Å; I116-L120 HydrophobicContact CG2-CG 4.14Å; I116-L120 VanDerWaalsContact O-CB 3.28Å; I116-L120 WeakPolarHBondContact O-CB 3.47Å; I116-L120 VanDerWaalsContact O-CG 3.25Å; I116-L120 WeakPolarHBondContact O-CG 3.48Å; I116-L120 PolarHBondContact O-N 2.83Å
117	I	98.1	Very high	96.7	Very high	27 Å²	27	71.4 Å²	71.4	14%	0.138	34%	0.335	C	S	.	.	H	α-helix	trans	-65.9	-37.3	178.2	-65.5	-58	0	0	0	111.8	L98 Y113 P114 Y115 L120 R121 T131	L98-I117 HydrophobicContact CD2-CD1 4.33Å; Y113-I117 HydrophobicContact CD1-CG1 4.1Å; Y113-I117 HydrophobicContact CD2-CG1 4.33Å; Y113-I117 HydrophobicContact CE1-CD1 4.24Å; Y113-I117 HydrophobicContact CE1-CG1 3.74Å; Y113-I117 HydrophobicContact CE2-CD1 3.93Å; Y113-I117 HydrophobicContact CE2-CG1 3.99Å; Y113-I117 HydrophobicContact CG-CG1 4.39Å; Y113-I117 WeakPolarHBondContact O-CG1 3.44Å; Y113-I117 PolarHBondContact O-N 3.03Å; P114-I117 PolarHBondContact O-N 2.93Å; Y115-I117 VanDerWaalsContact C-N 3.34Å; Y115-I117 PolarHBondContact O-N 3.44Å; I117-L120 PolarHBondContact O-N 3.02Å; I117-R121 WeakPolarHBondContact O-CB 3.44Å; I117-R121 PolarHBondContact O-N 3.47Å; I117-T131 HydrophobicContact CD1-CG2 4.32Å; I117-T131 HydrophobicContact CG2-CG2 4.35Å
118	Q	98.2	Very high	96.9	Very high	133 Å²	133	66 Å²	66	62%	0.621	33%	0.333	S	S	*	.	H	α-helix	trans	-59.9	-51	174.3	-179.6	-171.9	-62.3	0	0	111	P114 Y115 I116 L120 R121	P114-Q118 WeakPolarHBondContact O-CB 3.4Å; P114-Q118 PolarHBondContact O-N 3.16Å; Y115-Q118 WeakPolarHBondContact O-CB 3.44Å; Y115-Q118 PolarHBondContact O-N 2.98Å; I116-Q118 VanDerWaalsContact C-N 3.35Å; I116-Q118 PolarHBondContact O-N 3.34Å; Q118-L120 VanDerWaalsContact C-N 3.34Å; Q118-L120 PolarHBondContact O-N 2.94Å; Q118-R121 WeakPolarHBondContact O-CB 3.22Å; Q118-R121 PolarHBondContact O-N 3.07Å
119	E	98.5	Very high	97.1	Very high	88 Å²	88	60.9 Å²	60.9	41%	0.411	31%	0.311	S	S	.	.	H	α-helix	trans	-69.4	-31.6	-178.6	-64.9	-53.2	124.3	0	0	112.5	P75 Y115 I116 P122	P75-E119 HydrophobicContact CB-CB 3.63Å; P75-E119 HydrophobicContact CB-CG 4.39Å; P75-E119 HydrophobicContact CG-CB 3.85Å; P75-E119 HydrophobicContact CG-CG 4.13Å; Y115-E119 HydrophobicContact CD2-CG 3.94Å; Y115-E119 HydrophobicContact CE2-CG 3.49Å; Y115-E119 VanDerWaalsContact CE2-CG 3.49Å; Y115-E119 WeakPolarHBondContact O-CG 3.48Å; Y115-E119 PolarHBondContact O-N 3.23Å; I116-E119 PolarHBondContact O-N 3.38Å; E119-P122 WeakPolarHBondContact O-CD 3.29Å
120	L	98.3	Very high	97.3	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-82	-12	175.7	-69.4	178.8	0	0	0	113.8	P75 A78 L82 L98 I116 I117 Q118 P122 V123 L124	P75-L120 WeakPolarHBondContact O-CD2 3.29Å; A78-L120 HydrophobicContact CB-CD1 3.8Å; A78-L120 HydrophobicContact CB-CD2 4.04Å; A78-L120 HydrophobicContact CB-CG 4.45Å; L82-L120 HydrophobicContact CD1-CD1 4.15Å; L82-L120 HydrophobicContact CD1-CD2 4.25Å; L98-L120 HydrophobicContact CD2-CD1 4.33Å; I116-L120 HydrophobicContact CG2-CD1 3.55Å; I116-L120 HydrophobicContact CG2-CG 4.14Å; I116-L120 VanDerWaalsContact O-CB 3.28Å; I116-L120 WeakPolarHBondContact O-CB 3.47Å; I116-L120 VanDerWaalsContact O-CG 3.25Å; I116-L120 WeakPolarHBondContact O-CG 3.48Å; I116-L120 PolarHBondContact O-N 2.83Å; I117-L120 PolarHBondContact O-N 3.02Å; Q118-L120 VanDerWaalsContact C-N 3.34Å; Q118-L120 PolarHBondContact O-N 2.94Å; L120-P122 VanDerWaalsContact C-CD 3.43Å; L120-V123 WeakPolarHBondContact O-CA 3.39Å; L120-V123 WeakPolarHBondContact O-CB 3.47Å; L120-V123 PolarHBondContact O-N 2.8Å; L120-L124 HydrophobicContact CB-CD1 4.32Å; L120-L124 HydrophobicContact CB-CG 4.31Å; L120-L124 WeakPolarHBondContact O-CG 3.5Å; L120-L124 PolarHBondContact O-N 2.9Å
121	R	98	Very high	97.5	Very high	88 Å²	88	56.5 Å²	56.5	33%	0.332	30%	0.296	S	S	.	.	H	α-helix	trans	-53.2	-42.4	-174.9	-164.7	71.3	-140.2	-167.2	0.7	114	I117 Q118 V123 L124 N125 E134	I117-R121 WeakPolarHBondContact O-CB 3.44Å; I117-R121 PolarHBondContact O-N 3.47Å; Q118-R121 WeakPolarHBondContact O-CB 3.22Å; Q118-R121 PolarHBondContact O-N 3.07Å; R121-V123 VanDerWaalsContact C-N 3.3Å; R121-V123 PolarHBondContact O-N 3.26Å; R121-L124 PolarHBondContact O-N 3.27Å; R121-N125 PolarHBondContact NE-OD1 2.7Å; R121-N125 PolarHBondContact NH2-OD1 2.93Å; R121-N125 WeakPolarHBondContact O-CB 3.39Å; R121-N125 PolarHBondContact O-N 3.41Å; R121-N125 PolarHBondContact O-ND2 3.33Å; R121-E134 IonicContact CZ-OE1 2.7Å; R121-E134 IonicContact NH1-OE1 3.35Å; R121-E134 PolarHBondContact NH1-OE1 3.35Å; R121-E134 IonicContact NH2-OE1 3.14Å; R121-E134 PolarHBondContact NH2-OE1 2.96Å
122	P	98.4	Very high	97.4	Very high	88 Å²	88	50 Å²	50	57%	0.571	27%	0.266	S	S	*	.	H	α-helix	trans	-60	-40	175.6	-23.1	34.9	0	0	0	112.7	E119 L120 E126	E119-P122 WeakPolarHBondContact O-CD 3.29Å; L120-P122 VanDerWaalsContact C-CD 3.43Å; P122-E126 WeakPolarHBondContact O-CB 3.44Å; P122-E126 PolarHBondContact O-N 3.06Å
123	V	98.4	Very high	97.2	Very high	13 Å²	13	50.7 Å²	50.7	8%	0.079	27%	0.268	C	S	.	.	H	α-helix	trans	-72.5	-42.1	-179.6	-177.6	0	0	0	0	110.9	S79 L82 L120 R121 N125 E126 L127	S79-V123 WeakPolarHBondContact OG-CG2 3.4Å; L82-V123 HydrophobicContact CB-CG1 4.34Å; L82-V123 HydrophobicContact CD1-CG1 4.34Å; L120-V123 WeakPolarHBondContact O-CA 3.39Å; L120-V123 WeakPolarHBondContact O-CB 3.47Å; L120-V123 PolarHBondContact O-N 2.8Å; R121-V123 VanDerWaalsContact C-N 3.3Å; R121-V123 PolarHBondContact O-N 3.26Å; V123-N125 VanDerWaalsContact C-N 3.31Å; V123-N125 PolarHBondContact O-N 3.11Å; V123-E126 PolarHBondContact O-N 3.43Å; V123-L127 HydrophobicContact CG1-CD1 3.77Å; V123-L127 HydrophobicContact CG1-CG 4.21Å; V123-L127 WeakPolarHBondContact O-CB 3.42Å; V123-L127 VanDerWaalsContact O-CG 3.28Å; V123-L127 WeakPolarHBondContact O-CG 3.43Å; V123-L127 PolarHBondContact O-N 2.61Å
124	L	98.3	Very high	97.1	Very high	1 Å²	1	55 Å²	55	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-60.3	-43.3	175.7	-67	175.3	0	0	0	111.3	L82 L98 L120 R121 G128 I129 T131	L82-L124 HydrophobicContact CD1-CD2 3.92Å; L98-L124 HydrophobicContact CD1-CD2 4Å; L120-L124 HydrophobicContact CB-CD1 4.32Å; L120-L124 HydrophobicContact CB-CG 4.31Å; L120-L124 WeakPolarHBondContact O-CG 3.5Å; L120-L124 PolarHBondContact O-N 2.9Å; R121-L124 PolarHBondContact O-N 3.27Å; L124-G128 WeakPolarHBondContact O-CA 3.43Å; L124-G128 PolarHBondContact O-N 2.95Å; L124-I129 HydrophobicContact CD2-CB 3.99Å; L124-I129 HydrophobicContact CD2-CG2 4.07Å; L124-I129 PolarHBondContact O-N 3.14Å; L124-T131 HydrophobicContact CD1-CG2 4.07Å
125	N	97.9	Very high	96.9	Very high	100 Å²	100	55.2 Å²	55.2	54%	0.535	28%	0.284	S	S	.	.	H	α-helix	trans	-67	-41.2	176.4	-69.1	-13	0	0	0	112.3	R121 V123	R121-N125 PolarHBondContact NE-OD1 2.7Å; R121-N125 PolarHBondContact NH2-OD1 2.93Å; R121-N125 WeakPolarHBondContact O-CB 3.39Å; R121-N125 PolarHBondContact O-N 3.41Å; R121-N125 PolarHBondContact O-ND2 3.33Å; V123-N125 VanDerWaalsContact C-N 3.31Å; V123-N125 PolarHBondContact O-N 3.11Å
126	E	98	Very high	96.5	Very high	120 Å²	120	52.4 Å²	52.4	56%	0.561	29%	0.288	S	S	*	.	H	α-helix	trans	-62.1	-43.6	176.6	-176	-166.1	147.2	0	0	112	R83 P122 V123	R83-E126 IonicContact CZ-OE1 2.68Å; R83-E126 IonicContact CZ-OE2 2.71Å; R83-E126 VanDerWaalsContact NH1-CD 3.27Å; R83-E126 IonicContact NH1-OE1 2.8Å; R83-E126 PolarHBondContact NH1-OE1 2.74Å; R83-E126 IonicContact NH1-OE2 3.5Å; R83-E126 PolarHBondContact NH1-OE2 3.37Å; R83-E126 VanDerWaalsContact NH1-OE2 3.14Å; R83-E126 IonicContact NH2-OE1 2.71Å; R83-E126 IonicContact NH2-OE2 3.77Å; R83-E126 PolarHBondContact NH2-OE2 3.04Å; P122-E126 WeakPolarHBondContact O-CB 3.44Å; P122-E126 PolarHBondContact O-N 3.06Å; V123-E126 PolarHBondContact O-N 3.43Å
127	L	97.7	Very high	95.9	Very high	28 Å²	28	56.4 Å²	56.4	15%	0.147	31%	0.309	C	S	.	.	H	α-helix	trans	-86.7	-12.2	-175.2	-60.1	-176.8	0	0	0	113.5	L82 R83 R86 V123 I129	L82-L127 HydrophobicContact CB-CD1 4.01Å; R83-L127 HydrophobicContact CG-CD1 4.3Å; R86-L127 HydrophobicContact CB-CD1 4.37Å; R86-L127 HydrophobicContact CB-CD2 4.09Å; R86-L127 HydrophobicContact CG-CD2 3.93Å; V123-L127 HydrophobicContact CG1-CD1 3.77Å; V123-L127 HydrophobicContact CG1-CG 4.21Å; V123-L127 WeakPolarHBondContact O-CB 3.42Å; V123-L127 VanDerWaalsContact O-CG 3.28Å; V123-L127 WeakPolarHBondContact O-CG 3.43Å; V123-L127 PolarHBondContact O-N 2.61Å; L127-I129 HydrophobicContact CB-CD1 3.68Å; L127-I129 HydrophobicContact CB-CG1 3.84Å; L127-I129 HydrophobicContact CD1-CD1 3.84Å; L127-I129 HydrophobicContact CG-CD1 4.43Å
128	G	96.6	Very high	95.3	Very high	58 Å²	58	58.1 Å²	58.1	60%	0.598	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	35.8	-175.9	0	0	0	0	0	113.1	L124 P130	L124-G128 WeakPolarHBondContact O-CA 3.43Å; L124-G128 PolarHBondContact O-N 2.95Å; G128-P130 WeakPolarHBondContact O-CD 3.34Å
129	I	96.5	Very high	94.4	Very high	11 Å²	11	55.8 Å²	55.8	6%	0.056	31%	0.307	C	S	.	.			trans	-99.8	111.4	-178.7	-58.6	168.9	0	0	0	108.6	L82 F91 A94 L98 L124 L127	L82-I129 HydrophobicContact CD2-CD1 4.17Å; F91-I129 HydrophobicContact CE2-CG1 4.47Å; F91-I129 HydrophobicContact CE2-CG2 4.42Å; A94-I129 HydrophobicContact CB-CD1 3.99Å; A94-I129 HydrophobicContact CB-CG2 4.48Å; L98-I129 HydrophobicContact CD1-CG2 4.28Å; L124-I129 HydrophobicContact CD2-CB 3.99Å; L124-I129 HydrophobicContact CD2-CG2 4.07Å; L124-I129 PolarHBondContact O-N 3.14Å; L127-I129 HydrophobicContact CB-CD1 3.68Å; L127-I129 HydrophobicContact CB-CG1 3.84Å; L127-I129 HydrophobicContact CD1-CD1 3.84Å; L127-I129 HydrophobicContact CG-CD1 4.43Å
130	P	96.6	Very high	93.4	Very high	39 Å²	39	54.2 Å²	54.2	25%	0.253	30%	0.304	S	S	.	.			trans	-71.5	154.7	173	31.9	-34.9	0	0	0	110.8	F91 G128 E134 M135	F91-P130 HydrophobicContact CZ-CG 4Å; G128-P130 WeakPolarHBondContact O-CD 3.34Å; P130-E134 WeakPolarHBondContact CA-OE2 3.14Å; P130-E134 HydrophobicContact CB-CB 4.13Å; P130-E134 WeakPolarHBondContact CB-OE2 3.47Å; P130-M135 HydrophobicContact CB-CG 3.93Å; P130-M135 HydrophobicContact CG-CG 3.62Å; P130-M135 HydrophobicContact CG-SD 3.72Å
131	T	96.4	Very high	92.1	Very high	8 Å²	8	59.7 Å²	59.7	5%	0.049	33%	0.333	C	S	.	.			trans	-75.9	157.7	172.5	78.3	0	0	0	0	111.1	I117 L124 E133 E134 M135	I117-T131 HydrophobicContact CD1-CG2 4.32Å; I117-T131 HydrophobicContact CG2-CG2 4.35Å; L124-T131 HydrophobicContact CD1-CG2 4.07Å; T131-E133 VanDerWaalsContact CB-OE2 3.23Å; T131-E133 WeakPolarHBondContact CB-OE2 3.48Å; T131-E133 PolarHBondContact O-N 3.45Å; T131-E133 VanDerWaalsContact O-N 3.14Å; T131-E133 PolarHBondContact OG1-N 3.16Å; T131-E133 PolarHBondContact OG1-OE2 3.08Å; T131-E134 PolarHBondContact N-OE2 3.44Å; T131-E134 PolarHBondContact O-N 3.17Å; T131-E134 PolarHBondContact OG1-N 2.96Å; T131-M135 PolarHBondContact O-N 3.08Å; T131-M135 VanDerWaalsContact O-N 3.12Å
132	P	93.6	Very high	91	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.013	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-32.4	174.5	-26.8	35.7	0	0	0	113.3	V95 L98 E99 M135 G136 L137 D138	V95-P132 HydrophobicContact CG1-CG 4.3Å; L98-P132 HydrophobicContact CB-CG 4.04Å; E99-P132 HydrophobicContact CG-CB 4.02Å; E99-P132 HydrophobicContact CG-CG 3.64Å; P132-M135 PolarHBondContact O-N 3.33Å; P132-G136 PolarHBondContact O-N 3.1Å; P132-G136 VanDerWaalsContact O-N 3.16Å; P132-L137 PolarHBondContact O-N 3.32Å; P132-D138 PolarHBondContact O-N 3.32Å
133	E	92.7	Very high	90.1	Very high	64 Å²	64	61.7 Å²	61.7	30%	0.299	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-44.6	174.9	-59.6	72.4	-160.8	0	0	112.5	K102 Y113 T131 M135 G136 D138	K102-E133 IonicContact NZ-OE1 3.26Å; K102-E133 PolarHBondContact NZ-OE1 3.17Å; Y113-E133 WeakPolarHBondContact CE1-OE1 2.74Å; T131-E133 VanDerWaalsContact CB-OE2 3.23Å; T131-E133 WeakPolarHBondContact CB-OE2 3.48Å; T131-E133 PolarHBondContact O-N 3.45Å; T131-E133 VanDerWaalsContact O-N 3.14Å; T131-E133 PolarHBondContact OG1-N 3.16Å; T131-E133 PolarHBondContact OG1-OE2 3.08Å; E133-M135 PolarHBondContact O-N 3.32Å; E133-G136 PolarHBondContact O-N 3.47Å; E133-G136 VanDerWaalsContact O-N 3.08Å; E133-D138 HydrophobicContact CB-CB 4.46Å; E133-D138 HydrophobicContact CG-CB 3.9Å
134	E	94.3	Very high	89.1	Confident	104 Å²	104	66 Å²	66	49%	0.486	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-28.3	176.6	-69.2	172.8	169.1	0	0	111.7	R121 P130 T131	R121-E134 IonicContact CZ-OE1 2.7Å; R121-E134 IonicContact NH1-OE1 3.35Å; R121-E134 PolarHBondContact NH1-OE1 3.35Å; R121-E134 IonicContact NH2-OE1 3.14Å; R121-E134 PolarHBondContact NH2-OE1 2.96Å; P130-E134 WeakPolarHBondContact CA-OE2 3.14Å; P130-E134 HydrophobicContact CB-CB 4.13Å; P130-E134 WeakPolarHBondContact CB-OE2 3.47Å; T131-E134 PolarHBondContact N-OE2 3.44Å; T131-E134 PolarHBondContact O-N 3.17Å; T131-E134 PolarHBondContact OG1-N 2.96Å
135	M	92.1	Very high	88.2	Confident	75 Å²	75	66.5 Å²	66.5	37%	0.369	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-10.3	175.9	-63.3	179.7	67.3	0	0	114.2	F91 V95 P130 T131 P132 E133 L137	F91-M135 HydrophobicContact CE1-CE 4.3Å; F91-M135 HydrophobicContact CZ-SD 4.5Å; V95-M135 HydrophobicContact CG1-SD 4.01Å; V95-M135 HydrophobicContact CG2-SD 3.91Å; P130-M135 HydrophobicContact CB-CG 3.93Å; P130-M135 HydrophobicContact CG-CG 3.62Å; P130-M135 HydrophobicContact CG-SD 3.72Å; T131-M135 PolarHBondContact O-N 3.08Å; T131-M135 VanDerWaalsContact O-N 3.12Å; P132-M135 PolarHBondContact O-N 3.33Å; E133-M135 PolarHBondContact O-N 3.32Å; M135-L137 HydrophobicContact CB-CB 4.41Å; M135-L137 HydrophobicContact CB-CD1 4.22Å; M135-L137 HydrophobicContact CB-CG 4Å; M135-L137 HydrophobicContact CE-CD1 3.58Å; M135-L137 HydrophobicContact CE-CG 4.5Å; M135-L137 PolarHBondContact O-N 3.09Å; M135-L137 HydrophobicContact SD-CD1 4.26Å
136	G	88.8	Confident	87.4	Confident	49 Å²	49	64.2 Å²	64.2	51%	0.505	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	21.3	-171.1	0	0	0	0	0	114.2	P132 E133	P132-G136 PolarHBondContact O-N 3.1Å; P132-G136 VanDerWaalsContact O-N 3.16Å; E133-G136 PolarHBondContact O-N 3.47Å; E133-G136 VanDerWaalsContact O-N 3.08Å
137	L	86.4	Confident	86.5	Confident	87 Å²	87	63 Å²	63	46%	0.455	36%	0.361	S	S	.	.			trans	-97.9	4.3	176.5	-63.8	-178.2	0	0	0	113	P132 M135 K139	P132-L137 PolarHBondContact O-N 3.32Å; M135-L137 HydrophobicContact CB-CB 4.41Å; M135-L137 HydrophobicContact CB-CD1 4.22Å; M135-L137 HydrophobicContact CB-CG 4Å; M135-L137 HydrophobicContact CE-CD1 3.58Å; M135-L137 HydrophobicContact CE-CG 4.5Å; M135-L137 PolarHBondContact O-N 3.09Å; M135-L137 HydrophobicContact SD-CD1 4.26Å; L137-K139 PolarHBondContact O-N 3.26Å
138	D	86.1	Confident	85.9	Confident	63 Å²	63	68 Å²	68	34%	0.337	39%	0.388	S	S	.	.	S	Bend	trans	-64.9	-23.5	-178.6	81.8	-31.9	0	0	0	114.2	P132 E133	P132-D138 PolarHBondContact O-N 3.32Å; E133-D138 HydrophobicContact CB-CB 4.46Å; E133-D138 HydrophobicContact CG-CB 3.9Å
139	K	79.8	Confident	85.3	Confident	85 Å²	85	76.1 Å²	76.1	37%	0.37	40%	0.401	S	S	.	.	S	Bend	trans	-111.4	130.2	-176.6	-75.2	163.1	-161.3	176.8	0	110.5	L137 L141 F171	L137-K139 PolarHBondContact O-N 3.26Å; K139-L141 PolarHBondContact O-N 3.13Å; K139-F171 HydrophobicContact CB-CZ 4.47Å
140	P	75.6	Confident	84.6	Confident	54 Å²	54	78.7 Å²	78.7	35%	0.351	41%	0.41	S	S	.	.			trans	-68.6	134.9	175.6	28	-34.4	0	0	0	111.8	F143 R164	P140-F143 HydrophobicContact CB-CB 3.43Å; P140-F143 VanDerWaalsContact CB-CB 3.43Å; P140-F143 HydrophobicContact CB-CG 4.4Å; P140-F143 HydrophobicContact CG-CB 3.4Å; P140-F143 VanDerWaalsContact CG-CB 3.4Å; P140-F143 HydrophobicContact CG-CD1 4.17Å; P140-F143 HydrophobicContact CG-CG 4.1Å; P140-R164 PolarHBondContact O-NH1 2.75Å
141	L	71.9	Confident	84.1	Confident	117 Å²	117	79 Å²	79	61%	0.613	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-41	176.5	-62.4	177.8	0	0	0	112.2	K139 V168 F171	K139-L141 PolarHBondContact O-N 3.13Å; L141-V168 WeakPolarHBondContact O-CG2 3.15Å; L141-F171 HydrophobicContact CD2-CD1 4.01Å; L141-F171 HydrophobicContact CD2-CD2 3.72Å; L141-F171 HydrophobicContact CD2-CE1 4.03Å; L141-F171 HydrophobicContact CD2-CE2 3.73Å; L141-F171 HydrophobicContact CD2-CG 3.86Å; L141-F171 HydrophobicContact CD2-CZ 3.89Å
142	L	74.7	Confident	83.6	Confident	142 Å²	142	83.5 Å²	83.5	74%	0.743	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.3	66.1	-174.6	-172.4	66.9	0	0	0	109.9	L166	L142-L166 HydrophobicContact CD1-CD1 4.15Å; L142-L166 HydrophobicContact CD1-CD2 3.87Å
143	F	78.9	Confident	83.3	Confident	75 Å²	75	86.9 Å²	86.9	33%	0.329	45%	0.448	S	S	.	.			trans	-119.9	120.9	169.8	-176.8	-111	0	0	0	109.3	P140 P145 W150 I160	P140-F143 HydrophobicContact CB-CB 3.43Å; P140-F143 VanDerWaalsContact CB-CB 3.43Å; P140-F143 HydrophobicContact CB-CG 4.4Å; P140-F143 HydrophobicContact CG-CB 3.4Å; P140-F143 VanDerWaalsContact CG-CB 3.4Å; P140-F143 HydrophobicContact CG-CD1 4.17Å; P140-F143 HydrophobicContact CG-CG 4.1Å; F143-P145 HydrophobicContact CD1-CG 4.23Å; F143-P145 HydrophobicContact CE1-CB 3.75Å; F143-P145 HydrophobicContact CE1-CG 3.71Å; F143-P145 HydrophobicContact CZ-CB 3.79Å; F143-P145 HydrophobicContact CZ-CG 4.27Å; F143-W150 AromaticContact CE1-CH2 3.88Å; F143-W150 HydrophobicContact CE1-CH2 3.88Å; F143-W150 AromaticContact CE1-CZ2 3.88Å; F143-W150 HydrophobicContact CE1-CZ2 3.88Å; F143-W150 HydrophobicContact CE1-CZ3 4.22Å; F143-W150 HydrophobicContact CZ-CE3 4.09Å; F143-W150 AromaticContact CZ-CH2 3.78Å; F143-W150 HydrophobicContact CZ-CH2 3.78Å; F143-W150 HydrophobicContact CZ-CZ2 4.22Å; F143-W150 AromaticContact CZ-CZ3 3.71Å; F143-W150 HydrophobicContact CZ-CZ3 3.71Å; F143-I160 HydrophobicContact CD1-CD1 3.86Å; F143-I160 HydrophobicContact CE1-CD1 3.89Å
144	N	77.8	Confident	82.9	Confident	103 Å²	103	86.2 Å²	86.2	55%	0.551	44%	0.443	S	S	*	.			trans	-130	88.4	177	-177.3	76.3	0	0	0	107.8
145	P	80.2	Confident	82.4	Confident	12 Å²	12	82 Å²	82	8%	0.078	42%	0.423	C	S	.	.			trans	-66.3	147.5	-177.5	26.4	-31.4	0	0	0	111.1	F143 W150 Y155	F143-P145 HydrophobicContact CD1-CG 4.23Å; F143-P145 HydrophobicContact CE1-CB 3.75Å; F143-P145 HydrophobicContact CE1-CG 3.71Å; F143-P145 HydrophobicContact CZ-CB 3.79Å; F143-P145 HydrophobicContact CZ-CG 4.27Å; P145-W150 HydrophobicContact CB-CB 3.64Å; P145-W150 HydrophobicContact CB-CD2 3.57Å; P145-W150 HydrophobicContact CB-CE3 3.98Å; P145-W150 HydrophobicContact CB-CG 3.43Å; P145-W150 VanDerWaalsContact CB-CG 3.43Å; P145-W150 HydrophobicContact CG-CB 4.36Å; P145-W150 HydrophobicContact CG-CD2 4.09Å; P145-W150 HydrophobicContact CG-CG 3.84Å; P145-Y155 HydrophobicContact CG-CE1 3.64Å
146	S	81.5	Confident	82.2	Confident	52 Å²	52	85.2 Å²	85.2	36%	0.364	44%	0.437	S	S	.	.			trans	-70.7	131.4	173.7	177.5	0	0	0	0	110	D148 W149 W150	S146-D148 PolarHBondContact O-N 3.25Å; S146-D148 VanDerWaalsContact O-N 3.09Å; S146-D148 PolarHBondContact OG-N 3.35Å; S146-W149 PolarHBondContact O-N 3.04Å; S146-W150 VanDerWaalsContact O-CB 3.3Å; S146-W150 WeakPolarHBondContact O-CB 3.41Å; S146-W150 PolarHBondContact O-N 3.07Å; S146-W150 VanDerWaalsContact O-N 3.1Å
147	P	78.4	Confident	82	Confident	95 Å²	95	84.5 Å²	84.5	62%	0.617	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-22.5	172.7	-24.8	34.6	0	0	0	114.2
148	D	85.1	Confident	81.8	Confident	134 Å²	134	82.6 Å²	82.6	72%	0.717	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-28.8	-175.7	-59.2	-34.3	0	0	0	113.6	S146	S146-D148 PolarHBondContact O-N 3.25Å; S146-D148 VanDerWaalsContact O-N 3.09Å; S146-D148 PolarHBondContact OG-N 3.35Å
149	W	83.1	Confident	81.7	Confident	228 Å²	228	85 Å²	85	86%	0.864	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.5	-9.3	-172.1	-62.2	103.9	0	0	0	114.1	S146 P151	S146-W149 PolarHBondContact O-N 3.04Å; W149-P151 WeakPolarHBondContact O-CD 3.3Å
150	W	83.4	Confident	81.7	Confident	64 Å²	64	81.9 Å²	81.9	24%	0.242	41%	0.408	C	S	.	.	S	Bend	trans	-94.4	115.5	178.3	-166.3	-101	0	0	0	110.7	F143 P145 S146 E152 Y154 Y155 Y158 I160	F143-W150 AromaticContact CE1-CH2 3.88Å; F143-W150 HydrophobicContact CE1-CH2 3.88Å; F143-W150 AromaticContact CE1-CZ2 3.88Å; F143-W150 HydrophobicContact CE1-CZ2 3.88Å; F143-W150 HydrophobicContact CE1-CZ3 4.22Å; F143-W150 HydrophobicContact CZ-CE3 4.09Å; F143-W150 AromaticContact CZ-CH2 3.78Å; F143-W150 HydrophobicContact CZ-CH2 3.78Å; F143-W150 HydrophobicContact CZ-CZ2 4.22Å; F143-W150 AromaticContact CZ-CZ3 3.71Å; F143-W150 HydrophobicContact CZ-CZ3 3.71Å; P145-W150 HydrophobicContact CB-CB 3.64Å; P145-W150 HydrophobicContact CB-CD2 3.57Å; P145-W150 HydrophobicContact CB-CE3 3.98Å; P145-W150 HydrophobicContact CB-CG 3.43Å; P145-W150 VanDerWaalsContact CB-CG 3.43Å; P145-W150 HydrophobicContact CG-CB 4.36Å; P145-W150 HydrophobicContact CG-CD2 4.09Å; P145-W150 HydrophobicContact CG-CG 3.84Å; S146-W150 VanDerWaalsContact O-CB 3.3Å; S146-W150 WeakPolarHBondContact O-CB 3.41Å; S146-W150 PolarHBondContact O-N 3.07Å; S146-W150 VanDerWaalsContact O-N 3.1Å; W150-E152 PolarHBondContact O-N 2.7Å; W150-Y154 HydrophobicContact CD2-CD2 4.36Å; W150-Y154 HydrophobicContact CH2-CD2 4.13Å; W150-Y154 AromaticContact CZ2-CD2 3.95Å; W150-Y154 HydrophobicContact CZ2-CD2 3.95Å; W150-Y154 HydrophobicContact CZ2-CG 4.31Å; W150-Y154 HydrophobicContact CZ3-CD2 4.41Å; W150-Y154 VanDerWaalsContact NE1-CB 3.27Å; W150-Y155 AromaticContact CD1-CD2 3.89Å; W150-Y155 AromaticContact CD1-CE1 3.93Å; W150-Y155 AromaticContact CD1-CE2 3.54Å; W150-Y155 AromaticContact CD1-CZ 3.55Å; W150-Y155 HydrophobicContact CG-CE2 4.48Å; W150-Y158 HydrophobicContact CZ2-CD2 4.06Å; W150-Y158 HydrophobicContact CZ2-CE2 4.44Å; W150-I160 HydrophobicContact CZ2-CD1 4.16Å
151	P	86.3	Confident	81.8	Confident	45 Å²	45	81.8 Å²	81.8	29%	0.292	41%	0.408	S	S	.	.			trans	-55.1	137.6	178.3	-26.9	36	0	0	0	112	W149 E153 Y154	W149-P151 WeakPolarHBondContact O-CD 3.3Å; P151-E153 HydrophobicContact CB-CG 3.93Å; P151-E153 PolarHBondContact O-N 3.02Å; P151-Y154 HydrophobicContact CB-CD1 4.4Å; P151-Y154 HydrophobicContact CB-CD2 4.31Å; P151-Y154 HydrophobicContact CB-CG 4.17Å; P151-Y154 HydrophobicContact CG-CD2 4Å; P151-Y154 HydrophobicContact CG-CE2 4.05Å; P151-Y154 HydrophobicContact CG-CG 4.37Å; P151-Y154 WeakPolarHBondContact O-CB 3.48Å; P151-Y154 PolarHBondContact O-N 3.01Å
152	E	85.4	Confident	82.1	Confident	104 Å²	104	80.8 Å²	80.8	49%	0.486	40%	0.398	S	S	.	.	H	α-helix	trans	-59.4	-38.7	-176.7	-169.1	65.6	-160.7	0	0	112	W150 Y154 Y155 K162	W150-E152 PolarHBondContact O-N 2.7Å; E152-Y154 PolarHBondContact O-N 3.46Å; E152-Y154 VanDerWaalsContact O-N 3.17Å; E152-Y155 WeakPolarHBondContact O-CD2 3.05Å; E152-Y155 PolarHBondContact O-N 2.9Å; E152-Y155 VanDerWaalsContact O-N 3.17Å; E152-K162 VanDerWaalsContact OE1-CD 3.26Å; E152-K162 WeakPolarHBondContact OE1-CD 3.39Å; E152-K162 WeakPolarHBondContact OE1-CE 3.2Å; E152-K162 IonicContact OE1-NZ 2.87Å; E152-K162 PolarHBondContact OE1-NZ 3.25Å; E152-K162 WeakPolarHBondContact OE2-CE 3.46Å; E152-K162 IonicContact OE2-NZ 2.74Å; E152-K162 PolarHBondContact OE2-NZ 3.25Å
153	E	86	Confident	82.1	Confident	73 Å²	73	81 Å²	81	34%	0.341	40%	0.4	S	S	.	.	H	α-helix	trans	-58.7	-26.5	176.3	64.3	-144.4	-122.5	0	0	113.3	R107 P151 Y155 E156 I157	R107-E153 WeakPolarHBondContact CD-OE1 3.39Å; R107-E153 IonicContact CZ-OE1 3.35Å; R107-E153 IonicContact NE-OE1 2.7Å; R107-E153 PolarHBondContact NE-OE1 3.12Å; R107-E153 VanDerWaalsContact NE-OE1 3.07Å; R107-E153 IonicContact NH1-OE1 3.07Å; R107-E153 PolarHBondContact NH1-OE1 2.82Å; R107-E153 IonicContact NH2-OE1 3.04Å; R107-E153 PolarHBondContact NH2-OE1 2.82Å; P151-E153 HydrophobicContact CB-CG 3.93Å; P151-E153 PolarHBondContact O-N 3.02Å; E153-Y155 VanDerWaalsContact C-N 3.33Å; E153-Y155 PolarHBondContact O-N 2.94Å; E153-E156 PolarHBondContact O-N 2.9Å; E153-I157 HydrophobicContact CB-CD1 4.37Å; E153-I157 HydrophobicContact CG-CD1 4.41Å; E153-I157 WeakPolarHBondContact O-CB 3.32Å; E153-I157 WeakPolarHBondContact O-CG1 3.3Å; E153-I157 PolarHBondContact O-N 3.22Å
154	Y	85.1	Confident	81.8	Confident	50 Å²	50	79.4 Å²	79.4	20%	0.196	39%	0.392	C	S	.	.	H	α-helix	trans	-73.2	-24.8	-179.6	-75.7	3.1	0	0	0	113	R107 W150 P151 E152 E156 I157 Y158	R107-Y154 HydrophobicContact CG-CE1 4.01Å; W150-Y154 HydrophobicContact CD2-CD2 4.36Å; W150-Y154 HydrophobicContact CH2-CD2 4.13Å; W150-Y154 AromaticContact CZ2-CD2 3.95Å; W150-Y154 HydrophobicContact CZ2-CD2 3.95Å; W150-Y154 HydrophobicContact CZ2-CG 4.31Å; W150-Y154 HydrophobicContact CZ3-CD2 4.41Å; W150-Y154 VanDerWaalsContact NE1-CB 3.27Å; P151-Y154 HydrophobicContact CB-CD1 4.4Å; P151-Y154 HydrophobicContact CB-CD2 4.31Å; P151-Y154 HydrophobicContact CB-CG 4.17Å; P151-Y154 HydrophobicContact CG-CD2 4Å; P151-Y154 HydrophobicContact CG-CE2 4.05Å; P151-Y154 HydrophobicContact CG-CG 4.37Å; P151-Y154 WeakPolarHBondContact O-CB 3.48Å; P151-Y154 PolarHBondContact O-N 3.01Å; E152-Y154 PolarHBondContact O-N 3.46Å; E152-Y154 VanDerWaalsContact O-N 3.17Å; Y154-E156 VanDerWaalsContact C-N 3.33Å; Y154-I157 HydrophobicContact CD1-CD1 4.09Å; Y154-I157 HydrophobicContact CE1-CD1 4.42Å; Y154-Y158 HydrophobicContact CD1-CE2 4.16Å; Y154-Y158 HydrophobicContact CD2-CE2 4.12Å; Y154-Y158 HydrophobicContact CG-CD2 4.21Å; Y154-Y158 AromaticContact CG-CE2 3.91Å; Y154-Y158 HydrophobicContact CG-CE2 3.91Å; Y154-Y158 WeakPolarHBondContact O-CB 3.43Å; Y154-Y158 WeakPolarHBondContact O-CD2 3.37Å; Y154-Y158 PolarHBondContact O-N 3.21Å
155	Y	84.9	Confident	81.5	Confident	15 Å²	15	80.3 Å²	80.3	6%	0.059	40%	0.402	C	S	.	.	H	α-helix	trans	-61.5	-44.5	171.1	-68	-75.7	0	0	0	111	P145 W150 E152 E153 N159 I160 K162	P145-Y155 HydrophobicContact CG-CE1 3.64Å; W150-Y155 AromaticContact CD1-CD2 3.89Å; W150-Y155 AromaticContact CD1-CE1 3.93Å; W150-Y155 AromaticContact CD1-CE2 3.54Å; W150-Y155 AromaticContact CD1-CZ 3.55Å; W150-Y155 HydrophobicContact CG-CE2 4.48Å; E152-Y155 WeakPolarHBondContact O-CD2 3.05Å; E152-Y155 PolarHBondContact O-N 2.9Å; E152-Y155 VanDerWaalsContact O-N 3.17Å; E153-Y155 VanDerWaalsContact C-N 3.33Å; E153-Y155 PolarHBondContact O-N 2.94Å; Y155-N159 CarbonylContact O-C 3.5Å; Y155-N159 VanDerWaalsContact O-CA 3.29Å; Y155-N159 WeakPolarHBondContact O-CA 3.44Å; Y155-N159 PolarHBondContact O-N 3.05Å; Y155-I160 WeakPolarHBondContact CB-O 3.37Å; Y155-I160 HydrophobicContact CD1-CB 4.26Å; Y155-I160 HydrophobicContact CD1-CG2 4.17Å; Y155-I160 WeakPolarHBondContact CD1-O 3.26Å; Y155-I160 PolarHBondContact O-N 3.2Å; Y155-K162 HydrophobicContact CD1-CB 4.11Å; Y155-K162 HydrophobicContact CD2-CG 4.44Å; Y155-K162 HydrophobicContact CE1-CB 4.22Å; Y155-K162 HydrophobicContact CE1-CG 4.24Å; Y155-K162 HydrophobicContact CE2-CG 4.18Å; Y155-K162 HydrophobicContact CG-CB 4.3Å
156	E	86.3	Confident	80.9	Confident	143 Å²	143	84.8 Å²	84.8	67%	0.668	42%	0.424	S	S	*	.	H	α-helix	trans	-72.7	-43.2	177.9	-170.2	-170.8	153.3	0	0	111.8	K110 E153 Y154 Y158 N159	K110-E156 IonicContact NZ-OE1 2.75Å; E153-E156 PolarHBondContact O-N 2.9Å; Y154-E156 VanDerWaalsContact C-N 3.33Å; E156-Y158 PolarHBondContact O-N 3.15Å; E156-N159 PolarHBondContact O-N 3.37Å
157	I	85.6	Confident	80.4	Confident	34 Å²	34	87.4 Å²	87.4	17%	0.174	44%	0.44	C	S	.	.	H	α-helix	trans	-62.5	-43.3	-176.8	-73.6	174.1	0	0	0	111.8	V109 E153 Y154	V109-I157 HydrophobicContact CG1-CG2 3.23Å; E153-I157 HydrophobicContact CB-CD1 4.37Å; E153-I157 HydrophobicContact CG-CD1 4.41Å; E153-I157 WeakPolarHBondContact O-CB 3.32Å; E153-I157 WeakPolarHBondContact O-CG1 3.3Å; E153-I157 PolarHBondContact O-N 3.22Å; Y154-I157 HydrophobicContact CD1-CD1 4.09Å; Y154-I157 HydrophobicContact CE1-CD1 4.42Å
158	Y	82.1	Confident	79.8	Confident	46 Å²	46	84 Å²	84	18%	0.18	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	6.7	179.7	-62.3	-71.6	0	0	0	113.2	V103 W150 Y154 E156 I160	V103-Y158 PolarHBondContact O-OH 3.25Å; W150-Y158 HydrophobicContact CZ2-CD2 4.06Å; W150-Y158 HydrophobicContact CZ2-CE2 4.44Å; Y154-Y158 HydrophobicContact CD1-CE2 4.16Å; Y154-Y158 HydrophobicContact CD2-CE2 4.12Å; Y154-Y158 HydrophobicContact CG-CD2 4.21Å; Y154-Y158 AromaticContact CG-CE2 3.91Å; Y154-Y158 HydrophobicContact CG-CE2 3.91Å; Y154-Y158 WeakPolarHBondContact O-CB 3.43Å; Y154-Y158 WeakPolarHBondContact O-CD2 3.37Å; Y154-Y158 PolarHBondContact O-N 3.21Å; E156-Y158 PolarHBondContact O-N 3.15Å; Y158-I160 VanDerWaalsContact C-N 3.28Å; Y158-I160 PolarHBondContact O-N 3.31Å
159	N	82.8	Confident	79	Confident	115 Å²	115	86.1 Å²	86.1	62%	0.615	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	44.9	-179.7	-165.4	33.1	0	0	0	112.9	Y155 E156	Y155-N159 CarbonylContact O-C 3.5Å; Y155-N159 VanDerWaalsContact O-CA 3.29Å; Y155-N159 WeakPolarHBondContact O-CA 3.44Å; Y155-N159 PolarHBondContact O-N 3.05Å; E156-N159 PolarHBondContact O-N 3.37Å
160	I	80.8	Confident	78.1	Confident	19 Å²	19	81.7 Å²	81.7	10%	0.097	41%	0.409	C	S	.	.			trans	-100	125.1	179.3	-59.6	165.5	0	0	0	108.2	F143 W150 Y155 Y158 K162	F143-I160 HydrophobicContact CD1-CD1 3.86Å; F143-I160 HydrophobicContact CE1-CD1 3.89Å; W150-I160 HydrophobicContact CZ2-CD1 4.16Å; Y155-I160 WeakPolarHBondContact CB-O 3.37Å; Y155-I160 HydrophobicContact CD1-CB 4.26Å; Y155-I160 HydrophobicContact CD1-CG2 4.17Å; Y155-I160 WeakPolarHBondContact CD1-O 3.26Å; Y155-I160 PolarHBondContact O-N 3.2Å; Y158-I160 VanDerWaalsContact C-N 3.28Å; Y158-I160 PolarHBondContact O-N 3.31Å; I160-K162 PolarHBondContact O-N 3.29Å
161	P	78.7	Confident	76.9	Confident	51 Å²	51	82.9 Å²	82.9	33%	0.331	42%	0.416	S	S	.	.			trans	-67.8	127.5	176.2	25.1	-31.3	0	0	0	111.1	R164	P161-R164 HydrophobicContact CB-CB 4.5Å; P161-R164 HydrophobicContact CG-CB 4.02Å; P161-R164 HydrophobicContact CG-CG 4.03Å
162	K	76.5	Confident	75.2	Confident	96 Å²	96	91.6 Å²	91.6	42%	0.417	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-43.6	-179.6	-173.2	-179.1	-170.5	162.7	0	113.6	E152 Y155 I160	E152-K162 VanDerWaalsContact OE1-CD 3.26Å; E152-K162 WeakPolarHBondContact OE1-CD 3.39Å; E152-K162 WeakPolarHBondContact OE1-CE 3.2Å; E152-K162 IonicContact OE1-NZ 2.87Å; E152-K162 PolarHBondContact OE1-NZ 3.25Å; E152-K162 WeakPolarHBondContact OE2-CE 3.46Å; E152-K162 IonicContact OE2-NZ 2.74Å; E152-K162 PolarHBondContact OE2-NZ 3.25Å; Y155-K162 HydrophobicContact CD1-CB 4.11Å; Y155-K162 HydrophobicContact CD2-CG 4.44Å; Y155-K162 HydrophobicContact CE1-CB 4.22Å; Y155-K162 HydrophobicContact CE1-CG 4.24Å; Y155-K162 HydrophobicContact CE2-CG 4.18Å; Y155-K162 HydrophobicContact CG-CB 4.3Å; I160-K162 PolarHBondContact O-N 3.29Å
163	N	75.7	Confident	74.7	Confident	147 Å²	147	91 Å²	91	79%	0.786	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	60.5	-176.6	-64.1	-16.8	0	0	0	110.5
164	R	71.7	Confident	74.1	Confident	41 Å²	41	91.9 Å²	91.9	16%	0.155	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-77	130.9	179.2	-164.1	174.7	-124.6	-172.9	5.4	110.8	P140 P161 V168 E170	P140-R164 PolarHBondContact O-NH1 2.75Å; P161-R164 HydrophobicContact CB-CB 4.5Å; P161-R164 HydrophobicContact CG-CB 4.02Å; P161-R164 HydrophobicContact CG-CG 4.03Å; R164-V168 HydrophobicContact CG-CG2 4.36Å; R164-E170 IonicContact CZ-OE2 2.74Å; R164-E170 IonicContact NH2-OE2 3.37Å; R164-E170 PolarHBondContact NH2-OE2 3.36Å
165	T	71.3	Confident	73.5	Confident	123 Å²	123	94.2 Å²	94.2	76%	0.755	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-92.3	134.5	168.8	37.2	0	0	0	0	109.9
166	L	69	Low	72.8	Confident	105 Å²	105	98.9 Å²	98.9	55%	0.55	50%	0.504	S	S	.	.	S	Bend	trans	-90.3	144.7	175.1	-66.6	177.1	0	0	0	110.5	L142 V168	L142-L166 HydrophobicContact CD1-CD1 4.15Å; L142-L166 HydrophobicContact CD1-CD2 3.87Å; L166-V168 HydrophobicContact CD2-CG2 3.95Å
167	P	69.7	Low	72	Confident	107 Å²	107	96.1 Å²	96.1	70%	0.695	49%	0.493	S	S	*	.	S	Bend	cis	-78.2	152.3	-0.9	32.7	-35.1	0	0	0	112.6	K169	P167-K169 PolarHBondContact O-N 3.3Å
168	V	66.4	Low	71	Confident	25 Å²	25	100.3 Å²	100.3	15%	0.152	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-66.5	117	177.3	-172.1	0	0	0	0	109.4	L141 R164 L166 E170 F171	L141-V168 WeakPolarHBondContact O-CG2 3.15Å; R164-V168 HydrophobicContact CG-CG2 4.36Å; L166-V168 HydrophobicContact CD2-CG2 3.95Å; V168-E170 HydrophobicContact CG1-CB 4.11Å; V168-E170 HydrophobicContact CG1-CG 4.46Å; V168-F171 HydrophobicContact CB-CD2 4.23Å; V168-F171 HydrophobicContact CB-CE2 4.3Å; V168-F171 HydrophobicContact CG1-CD2 3.74Å; V168-F171 HydrophobicContact CG1-CE2 3.6Å
169	K	68	Low	70.3	Confident	178 Å²	178	104.1 Å²	104.1	77%	0.774	54%	0.538	S	S	*	.			trans	-84.9	-10.8	-177.8	-65.1	-174.8	179.9	-179.9	0	114.2	P167 F171	P167-K169 PolarHBondContact O-N 3.3Å; K169-F171 PolarHBondContact O-N 3.5Å; K169-F171 VanDerWaalsContact O-N 3.12Å
170	E	64.7	Low	69.3	Low	134 Å²	134	103.3 Å²	103.3	63%	0.626	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-4	-171.2	-69.4	150	-169.2	0	0	114.5	R164 V168	R164-E170 IonicContact CZ-OE2 2.74Å; R164-E170 IonicContact NH2-OE2 3.37Å; R164-E170 PolarHBondContact NH2-OE2 3.36Å; V168-E170 HydrophobicContact CG1-CB 4.11Å; V168-E170 HydrophobicContact CG1-CG 4.46Å
171	F	58.6	Low	68.3	Low	89 Å²	89	110.3 Å²	110.3	39%	0.39	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-118.6	14.3	-172.2	-57.3	-71.2	0	0	0	114.9	K139 L141 V168 K169	K139-F171 HydrophobicContact CB-CZ 4.47Å; L141-F171 HydrophobicContact CD2-CD1 4.01Å; L141-F171 HydrophobicContact CD2-CD2 3.72Å; L141-F171 HydrophobicContact CD2-CE1 4.03Å; L141-F171 HydrophobicContact CD2-CE2 3.73Å; L141-F171 HydrophobicContact CD2-CG 3.86Å; L141-F171 HydrophobicContact CD2-CZ 3.89Å; V168-F171 HydrophobicContact CB-CD2 4.23Å; V168-F171 HydrophobicContact CB-CE2 4.3Å; V168-F171 HydrophobicContact CG1-CD2 3.74Å; V168-F171 HydrophobicContact CG1-CE2 3.6Å; K169-F171 PolarHBondContact O-N 3.5Å; K169-F171 VanDerWaalsContact O-N 3.12Å
172	L	49.6	Very low	67.4	Low	228 Å²	228	115.7 Å²	115.7	100%	1.194	59%	0.59	S	S	*	*			trans	-110.1	0	175	-69.1	177.8	0	0	0	112.3

Retrieved 172 of 172 residues in 235.7 ms (Link to these results)

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