G4VB07_SCHMA Loading...

Putative alpha-actinin

AlphaFold DB , UniProt , Accession G4VB07, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 162 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	36.1	Very low	42.1	Very low	225 Å²	225	165.8 Å²	165.8	100%	1.108	86%	0.856	S	S	*	*				0	107.2	0	-82.3	80.3	-167.6	0	0	109.8
2	N	37.1	Very low	42.1	Very low	148 Å²	148	163.9 Å²	163.9	79%	0.791	85%	0.848	S	S	*	*			trans	-86.6	109.4	177.5	-65.7	64	0	0	0	109.6	F4	N2-F4 HydrophobicContact CB-CD2 4.39Å; N2-F4 PolarHBondContact O-N 2.86Å
3	K	45.9	Very low	42	Very low	213 Å²	213	159.9 Å²	159.9	93%	0.926	84%	0.839	S	S	*	*			trans	-78.1	71.8	174.4	-66.9	-178.5	-178.6	178.6	0	109.9
4	F	36.5	Very low	42	Very low	187 Å²	187	162.4 Å²	162.4	82%	0.82	84%	0.844	S	S	*	*			trans	-77.5	136.8	162.7	-98.9	-92.4	0	0	0	109.3	N2	N2-F4 HydrophobicContact CB-CD2 4.39Å; N2-F4 PolarHBondContact O-N 2.86Å
5	K	45.1	Very low	42	Very low	193 Å²	193	156.2 Å²	156.2	84%	0.839	84%	0.836	S	S	*	*			trans	90.9	79.1	155	-146.6	171.8	-173.9	172.9	0	116.8
6	A	48.5	Very low	42.1	Very low	98 Å²	98	153 Å²	153	81%	0.81	84%	0.838	S	S	*	*			trans	-118.7	85.5	152.3	0	0	0	0	0	109.2	D8	A6-D8 PolarHBondContact O-N 2.9Å
7	M	48.8	Very low	42.3	Very low	150 Å²	150	155 Å²	155	74%	0.739	84%	0.836	S	S	*	*			trans	15	91.9	152.2	-143	77.3	172.4	0	0	119.2	K9	M7-K9 PolarHBondContact O-N 2.82Å; M7-K9 VanDerWaalsContact O-N 3.12Å
8	D	40	Very low	42.2	Very low	166 Å²	166	152 Å²	152	89%	0.888	83%	0.826	S	S	*	*			trans	-72.3	81.9	155.6	-73	-68.7	0	0	0	110.9	A6	A6-D8 PolarHBondContact O-N 2.9Å
9	K	39.7	Very low	42.4	Very low	182 Å²	182	152.1 Å²	152.1	79%	0.791	83%	0.826	S	S	*	*			trans	-152.6	63.5	161.3	-73.5	-162.2	179.7	176.2	0	111.2	M7	M7-K9 PolarHBondContact O-N 2.82Å; M7-K9 VanDerWaalsContact O-N 3.12Å
10	A	42.9	Very low	42.8	Very low	103 Å²	103	154.1 Å²	154.1	85%	0.851	83%	0.827	S	S	*	*			trans	-95.4	101.2	160.7	0	0	0	0	0	108.3	N12	A10-N12 PolarHBondContact O-N 2.83Å
11	N	43.1	Very low	43.1	Very low	159 Å²	159	150.8 Å²	150.8	85%	0.85	82%	0.821	S	S	*	*			trans	-45.9	119	176.5	-156.7	13.6	0	0	0	111.2	P13	N11-P13 VanDerWaalsContact O-CD 3.29Å; N11-P13 WeakPolarHBondContact O-CD 3.5Å
12	N	41.7	Very low	43.7	Very low	143 Å²	143	145.7 Å²	145.7	77%	0.765	81%	0.807	S	S	*	*			trans	-57	111.8	175.3	-176.7	16.6	0	0	0	109.7	A10 Q14	A10-N12 PolarHBondContact O-N 2.83Å; N12-Q14 PolarHBondContact O-N 3.46Å
13	P	40.6	Very low	44	Very low	112 Å²	112	141.7 Å²	141.7	73%	0.727	80%	0.801	S	S	*	*			trans	-69.4	131	-179.3	26.7	-29.4	0	0	0	109.9	N11 G15	N11-P13 VanDerWaalsContact O-CD 3.29Å; N11-P13 WeakPolarHBondContact O-CD 3.5Å; P13-G15 PolarHBondContact O-N 2.93Å
14	Q	42.6	Very low	44	Very low	194 Å²	194	135 Å²	135	91%	0.907	79%	0.792	S	S	*	*			trans	-43.7	128.4	179.2	-71.8	153.2	-11.6	0	0	113.7	N12 A16	N12-Q14 PolarHBondContact O-N 3.46Å; Q14-A16 PolarHBondContact O-N 3.01Å
15	G	41	Very low	44.7	Very low	70 Å²	70	135.2 Å²	135.2	72%	0.722	79%	0.793	S	S	*	*				58.7	55.7	127.4	0	0	0	0	0	117.6	P13 K17	P13-G15 PolarHBondContact O-N 2.93Å; G15-K17 PolarHBondContact O-N 2.78Å
16	A	43.5	Very low	44.9	Very low	105 Å²	105	129.3 Å²	129.3	87%	0.868	79%	0.786	S	S	*	*			trans	-69.7	80.3	159.1	0	0	0	0	0	109.5	Q14	Q14-A16 PolarHBondContact O-N 3.01Å
17	K	45.2	Very low	45.3	Very low	187 Å²	187	129 Å²	129	81%	0.813	78%	0.784	S	S	*	*			trans	-62.7	126.2	164.6	-72.1	178.1	179.1	173.5	0	107.1	G15 N19	G15-K17 PolarHBondContact O-N 2.78Å; K17-N19 PolarHBondContact O-N 3.08Å; K17-N19 VanDerWaalsContact O-N 3.12Å
18	P	42	Very low	45.5	Very low	101 Å²	101	129.9 Å²	129.9	66%	0.656	79%	0.786	S	S	*	*			trans	-61.7	120.7	179.5	22.3	-29.4	0	0	0	109.2	F20	P18-F20 HydrophobicContact CG-CE2 4.4Å; P18-F20 PolarHBondContact O-N 3.17Å
19	N	45.6	Very low	46.3	Very low	154 Å²	154	125.2 Å²	125.2	82%	0.824	77%	0.765	S	S	*	*			trans	-61.9	98.5	168	-91.2	-8.1	0	0	0	107.9	K17 A21	K17-N19 PolarHBondContact O-N 3.08Å; K17-N19 VanDerWaalsContact O-N 3.12Å; N19-A21 PolarHBondContact O-N 3.11Å
20	F	50.1	Low	48.4	Very low	192 Å²	192	121.2 Å²	121.2	84%	0.842	75%	0.752	S	S	*	*			trans	-70	69.5	152.5	-67	-79.7	0	0	0	107	P18 S22	P18-F20 HydrophobicContact CG-CE2 4.4Å; P18-F20 PolarHBondContact O-N 3.17Å; F20-S22 VanDerWaalsContact C-N 3.32Å; F20-S22 PolarHBondContact O-N 3.09Å
21	A	48.6	Very low	50.5	Low	85 Å²	85	119.5 Å²	119.5	70%	0.702	74%	0.738	S	S	*	*			trans	-58.7	106.1	165.6	0	0	0	0	0	105.6	N19 G23	N19-A21 PolarHBondContact O-N 3.11Å; A21-G23 PolarHBondContact O-N 2.8Å
22	S	49.3	Very low	52.7	Low	118 Å²	118	115.8 Å²	115.8	83%	0.825	71%	0.714	S	S	*	*			trans	-55.2	80.3	169.8	168.3	0	0	0	0	108.6	F20 G24	F20-S22 VanDerWaalsContact C-N 3.32Å; F20-S22 PolarHBondContact O-N 3.09Å; S22-G24 PolarHBondContact O-N 2.65Å
23	G	43.2	Very low	55.1	Low	63 Å²	63	112.3 Å²	112.3	65%	0.649	69%	0.694	S	S	*	*			trans	-64.4	104.5	167.7	0	0	0	0	0	107	A21 K25	A21-G23 PolarHBondContact O-N 2.8Å; G23-K25 VanDerWaalsContact C-N 3.3Å; G23-K25 PolarHBondContact O-N 2.89Å
24	G	45.5	Very low	57.6	Low	72 Å²	72	111.3 Å²	111.3	74%	0.742	68%	0.681	S	S	*	*			trans	-56	93.7	174.2	0	0	0	0	0	109.7	S22 G26	S22-G24 PolarHBondContact O-N 2.65Å; G24-G26 PolarHBondContact O-N 2.7Å; G24-G26 VanDerWaalsContact O-N 3.11Å
25	K	51.2	Low	60	Low	193 Å²	193	102.8 Å²	102.8	84%	0.839	64%	0.641	S	S	*	*			trans	-63.2	110.8	157.6	-69.6	-177.7	180	172.7	0	104.3	G23 A27	G23-K25 VanDerWaalsContact C-N 3.3Å; G23-K25 PolarHBondContact O-N 2.89Å; K25-A27 WeakPolarHBondContact O-CA 3.26Å; K25-A27 PolarHBondContact O-N 2.84Å
26	G	49.5	Very low	62.6	Low	68 Å²	68	100.2 Å²	100.2	70%	0.701	61%	0.611	S	S	*	*			trans	-40.3	110.7	172.2	0	0	0	0	0	107.3	G24 Q28	G24-G26 PolarHBondContact O-N 2.7Å; G24-G26 VanDerWaalsContact O-N 3.11Å; G26-Q28 PolarHBondContact O-N 2.95Å
27	A	56.1	Low	65.1	Low	92 Å²	92	98.9 Å²	98.9	76%	0.76	59%	0.589	S	S	*	*			trans	-68.8	91.7	-164.4	0	0	0	0	0	106.6	K25 P29	K25-A27 WeakPolarHBondContact O-CA 3.26Å; K25-A27 PolarHBondContact O-N 2.84Å; A27-P29 VanDerWaalsContact O-CD 3.32Å; A27-P29 WeakPolarHBondContact O-CD 3.33Å
28	Q	53.6	Low	67.5	Low	168 Å²	168	91.2 Å²	91.2	79%	0.785	56%	0.555	S	S	*	*			trans	-46.9	116.9	156.4	-73.1	-65.9	-56.2	0	0	104	G26 N30	G26-Q28 PolarHBondContact O-N 2.95Å; Q28-N30 PolarHBondContact O-N 2.64Å
29	P	57	Low	70.1	Confident	69 Å²	69	86.4 Å²	86.4	45%	0.448	52%	0.524	S	S	.	.			trans	-54.7	112.8	-179.6	19.1	-28.2	0	0	0	105.2	A27 Q33 I34	A27-P29 VanDerWaalsContact O-CD 3.32Å; A27-P29 WeakPolarHBondContact O-CD 3.33Å; P29-Q33 HydrophobicContact CB-CB 4.34Å; P29-Q33 HydrophobicContact CB-CG 4.49Å; P29-I34 HydrophobicContact CB-CG1 3.95Å; P29-I34 HydrophobicContact CG-CD1 4.28Å; P29-I34 HydrophobicContact CG-CG1 4.13Å
30	N	83.1	Confident	72.5	Confident	98 Å²	98	82.5 Å²	82.5	52%	0.524	50%	0.5	S	S	.	.			trans	-58	149.6	-177.5	56.9	53.8	0	0	0	106.8	Q28 K32 Q33 I34	Q28-N30 PolarHBondContact O-N 2.64Å; N30-K32 CarbonylContact O-C 3.58Å; N30-K32 PolarHBondContact O-N 3.47Å; N30-K32 WeakPolarHBondContact OD1-CB 3.34Å; N30-K32 PolarHBondContact OD1-N 3Å; N30-Q33 WeakPolarHBondContact O-CA 3.04Å; N30-Q33 WeakPolarHBondContact O-CB 3.06Å; N30-Q33 PolarHBondContact O-N 2.88Å; N30-Q33 PolarHBondContact OD1-N 3.04Å; N30-I34 PolarHBondContact O-N 3.47Å
31	A	87.1	Confident	74.7	Confident	66 Å²	66	76.6 Å²	76.6	55%	0.545	49%	0.487	S	S	.	.	H	α-helix	trans	-50	-30.8	-176	0	0	0	0	0	112.5	I34 M35	A31-I34 PolarHBondContact O-N 3.12Å; A31-M35 VanDerWaalsContact O-CG 3.22Å; A31-M35 WeakPolarHBondContact O-CG 3.35Å; A31-M35 PolarHBondContact O-N 3.21Å; A31-M35 VanDerWaalsContact O-N 3.11Å
32	K	89.9	Confident	76.9	Confident	81 Å²	81	73.1 Å²	73.1	35%	0.352	46%	0.456	S	S	.	.	H	α-helix	trans	-61.2	-44.4	173.6	-170.9	-178.7	-178	174.4	0	113.1	N30 M35 L36 F54 W120 F124	N30-K32 CarbonylContact O-C 3.58Å; N30-K32 PolarHBondContact O-N 3.47Å; N30-K32 WeakPolarHBondContact OD1-CB 3.34Å; N30-K32 PolarHBondContact OD1-N 3Å; K32-M35 PolarHBondContact O-N 2.98Å; K32-L36 WeakPolarHBondContact O-CB 3.14Å; K32-L36 PolarHBondContact O-N 3.21Å; K32-F54 HydrophobicContact CD-CD2 4.38Å; K32-F54 HydrophobicContact CG-CD2 3.79Å; K32-F54 HydrophobicContact CG-CE2 3.53Å; K32-F54 WeakPolarHBondContact O-CE2 3.24Å; K32-W120 HydrophobicContact CD-CZ3 4.2Å; K32-F124 HydrophobicContact CB-CE2 4.2Å; K32-F124 HydrophobicContact CB-CZ 4.4Å; K32-F124 HydrophobicContact CG-CD2 4.42Å; K32-F124 HydrophobicContact CG-CE2 4.26Å
33	Q	92.6	Very high	79	Confident	71 Å²	71	67.8 Å²	67.8	33%	0.332	42%	0.419	S	S	.	.	H	α-helix	trans	-65.8	-44.2	177.4	-170.6	60.1	48.3	0	0	111.8	P29 N30 M35 L36 D37	P29-Q33 HydrophobicContact CB-CB 4.34Å; P29-Q33 HydrophobicContact CB-CG 4.49Å; N30-Q33 WeakPolarHBondContact O-CA 3.04Å; N30-Q33 WeakPolarHBondContact O-CB 3.06Å; N30-Q33 PolarHBondContact O-N 2.88Å; N30-Q33 PolarHBondContact OD1-N 3.04Å; Q33-M35 VanDerWaalsContact C-N 3.3Å; Q33-M35 PolarHBondContact O-N 3.04Å; Q33-L36 WeakPolarHBondContact O-CB 3.14Å; Q33-L36 PolarHBondContact O-N 2.97Å; Q33-L36 VanDerWaalsContact O-N 3.07Å; Q33-D37 PolarHBondContact NE2-OD1 2.89Å; Q33-D37 PolarHBondContact NE2-OD2 3.44Å; Q33-D37 VanDerWaalsContact O-CG 3.29Å; Q33-D37 PolarHBondContact O-N 3.49Å
34	I	92.1	Very high	81.5	Confident	91 Å²	91	73.2 Å²	73.2	47%	0.467	43%	0.425	S	S	.	.	H	α-helix	trans	-56.9	-46.8	177.3	-63.3	176.4	0	0	0	110.5	P29 N30 A31 L36 D37 W38	P29-I34 HydrophobicContact CB-CG1 3.95Å; P29-I34 HydrophobicContact CG-CD1 4.28Å; P29-I34 HydrophobicContact CG-CG1 4.13Å; N30-I34 PolarHBondContact O-N 3.47Å; A31-I34 PolarHBondContact O-N 3.12Å; I34-L36 VanDerWaalsContact C-N 3.32Å; I34-L36 PolarHBondContact O-N 3.14Å; I34-D37 PolarHBondContact O-N 3.19Å; I34-W38 WeakPolarHBondContact O-CB 3.02Å; I34-W38 PolarHBondContact O-N 2.94Å
35	M	94	Very high	83.8	Confident	15 Å²	15	73.7 Å²	73.7	7%	0.074	43%	0.429	C	S	.	.	H	α-helix	trans	-66.2	-35.2	178	-67.2	-61.3	-58.1	0	0	112.3	A31 K32 Q33 W38 C39 F54 F124 I127 Q128 Y131	A31-M35 VanDerWaalsContact O-CG 3.22Å; A31-M35 WeakPolarHBondContact O-CG 3.35Å; A31-M35 PolarHBondContact O-N 3.21Å; A31-M35 VanDerWaalsContact O-N 3.11Å; K32-M35 PolarHBondContact O-N 2.98Å; Q33-M35 VanDerWaalsContact C-N 3.3Å; Q33-M35 PolarHBondContact O-N 3.04Å; M35-W38 HydrophobicContact CE-CE3 4.08Å; M35-W38 HydrophobicContact CE-CZ3 4.29Å; M35-W38 PolarHBondContact O-N 2.99Å; M35-C39 PolarHBondContact O-N 3.2Å; M35-C39 PolarHBondContact O-SG 3.15Å; M35-F54 HydrophobicContact CB-CZ 3.8Å; M35-F124 HydrophobicContact CB-CD2 4.5Å; M35-F124 HydrophobicContact CB-CE2 3.76Å; M35-F124 HydrophobicContact CG-CE2 3.73Å; M35-F124 HydrophobicContact CG-CZ 4.19Å; M35-I127 HydrophobicContact CE-CB 4.38Å; M35-I127 HydrophobicContact CE-CG2 3.52Å; M35-Q128 HydrophobicContact CE-CG 4.15Å; M35-Y131 HydrophobicContact CE-CD2 4.46Å; M35-Y131 HydrophobicContact CE-CG 4.05Å; M35-Y131 HydrophobicContact SD-CD1 4.44Å; M35-Y131 HydrophobicContact SD-CD2 4.43Å; M35-Y131 HydrophobicContact SD-CG 4.15Å
36	L	95.6	Very high	86	Confident	16 Å²	16	66.5 Å²	66.5	8%	0.084	40%	0.397	C	S	.	.	H	α-helix	trans	-68.1	-43.6	178.6	-172.4	67.1	0	0	0	110.8	K32 Q33 I34 W38 C39 K40 I51 F54	K32-L36 WeakPolarHBondContact O-CB 3.14Å; K32-L36 PolarHBondContact O-N 3.21Å; Q33-L36 WeakPolarHBondContact O-CB 3.14Å; Q33-L36 PolarHBondContact O-N 2.97Å; Q33-L36 VanDerWaalsContact O-N 3.07Å; I34-L36 VanDerWaalsContact C-N 3.32Å; I34-L36 PolarHBondContact O-N 3.14Å; L36-W38 VanDerWaalsContact C-N 3.33Å; L36-C39 WeakPolarHBondContact O-CB 3.26Å; L36-C39 PolarHBondContact O-N 3.02Å; L36-K40 WeakPolarHBondContact O-CG 3.47Å; L36-K40 PolarHBondContact O-N 3.45Å; L36-I51 HydrophobicContact CD1-CG2 3.74Å; L36-F54 HydrophobicContact CB-CE2 4Å; L36-F54 HydrophobicContact CB-CZ 3.97Å; L36-F54 HydrophobicContact CD1-CE2 4.18Å; L36-F54 HydrophobicContact CD1-CZ 4.17Å
37	D	95.3	Very high	88.2	Confident	76 Å²	76	71.5 Å²	71.5	41%	0.406	40%	0.403	S	S	.	.	H	α-helix	trans	-64.8	-39.4	176.8	-65.3	-22.8	0	0	0	111.1	Q33 I34 K40 A41	Q33-D37 PolarHBondContact NE2-OD1 2.89Å; Q33-D37 PolarHBondContact NE2-OD2 3.44Å; Q33-D37 VanDerWaalsContact O-CG 3.29Å; Q33-D37 PolarHBondContact O-N 3.49Å; I34-D37 PolarHBondContact O-N 3.19Å; D37-K40 PolarHBondContact O-N 3.21Å; D37-A41 WeakPolarHBondContact O-CB 3.43Å; D37-A41 PolarHBondContact O-N 3.02Å
38	W	95.2	Very high	90	Very high	26 Å²	26	69.8 Å²	69.8	10%	0.098	39%	0.394	C	S	.	.	H	α-helix	trans	-59.4	-48.7	171.9	173.8	75.3	0	0	0	111.8	I34 M35 L36 K40 A41 V42 L67 F71 I127 Y131 H135	I34-W38 WeakPolarHBondContact O-CB 3.02Å; I34-W38 PolarHBondContact O-N 2.94Å; M35-W38 HydrophobicContact CE-CE3 4.08Å; M35-W38 HydrophobicContact CE-CZ3 4.29Å; M35-W38 PolarHBondContact O-N 2.99Å; L36-W38 VanDerWaalsContact C-N 3.33Å; W38-K40 VanDerWaalsContact C-N 3.34Å; W38-K40 PolarHBondContact O-N 2.89Å; W38-A41 PolarHBondContact O-N 3.36Å; W38-A41 VanDerWaalsContact O-N 3.13Å; W38-V42 HydrophobicContact CD2-CG1 4.4Å; W38-V42 HydrophobicContact CZ2-CG1 4.24Å; W38-V42 WeakPolarHBondContact O-CG2 3.18Å; W38-V42 PolarHBondContact O-N 3.41Å; W38-L67 HydrophobicContact CH2-CD1 3.91Å; W38-L67 HydrophobicContact CH2-CD2 4.16Å; W38-L67 HydrophobicContact CH2-CG 4.25Å; W38-L67 HydrophobicContact CZ3-CD1 3.79Å; W38-F71 AromaticContact CZ2-CE2 3.99Å; W38-F71 HydrophobicContact CZ2-CE2 3.99Å; W38-F71 AromaticContact CZ2-CZ 3.92Å; W38-F71 HydrophobicContact CZ2-CZ 3.92Å; W38-I127 HydrophobicContact CE3-CG2 4.06Å; W38-I127 HydrophobicContact CZ3-CG2 3.64Å; W38-Y131 AromaticContact CD1-CE2 3.98Å; W38-Y131 AromaticContact CD2-CD2 3.67Å; W38-Y131 HydrophobicContact CD2-CD2 3.67Å; W38-Y131 HydrophobicContact CD2-CE2 4.33Å; W38-Y131 AromaticContact CE2-CD2 3.56Å; W38-Y131 HydrophobicContact CE3-CD2 4.11Å; W38-Y131 HydrophobicContact CG-CD2 4.01Å; W38-Y131 HydrophobicContact CG-CE2 4.2Å; W38-Y131 HydrophobicContact CH2-CD2 4.33Å; W38-Y131 AromaticContact CZ2-CD2 3.92Å; W38-Y131 HydrophobicContact CZ2-CD2 3.92Å; W38-Y131 HydrophobicContact CZ3-CD2 4.41Å; W38-Y131 AromaticContact NE1-CD2 3.78Å; W38-Y131 AromaticContact NE1-CE2 3.97Å; W38-H135 HydrophobicContact CZ2-CB 4.17Å; W38-H135 AromaticContact NE1-CG 3.91Å; W38-H135 AromaticContact NE1-ND1 3.8Å
39	C	96.8	Very high	92.1	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-56.6	-48.1	176.9	-66.9	0	0	0	0	111.3	M35 L36 A41 V42 T43 I51 W58 I127	M35-C39 PolarHBondContact O-N 3.2Å; M35-C39 PolarHBondContact O-SG 3.15Å; L36-C39 WeakPolarHBondContact O-CB 3.26Å; L36-C39 PolarHBondContact O-N 3.02Å; C39-A41 VanDerWaalsContact C-N 3.28Å; C39-A41 PolarHBondContact O-N 3.43Å; C39-V42 VanDerWaalsContact O-CG2 3.31Å; C39-V42 WeakPolarHBondContact O-CG2 3.43Å; C39-V42 PolarHBondContact O-N 3.24Å; C39-T43 WeakPolarHBondContact O-CG2 3.39Å; C39-T43 PolarHBondContact O-N 3.33Å; C39-T43 PolarHBondContact O-OG1 2.83Å; C39-I51 HydrophobicContact CB-CD1 3.81Å; C39-I51 HydrophobicContact CB-CG2 4.08Å; C39-W58 HydrophobicContact CB-CH2 4.47Å; C39-W58 HydrophobicContact CB-CZ2 4.17Å; C39-I127 WeakPolarHBondContact SG-CG2 3.46Å
40	K	97.4	Very high	94	Very high	72 Å²	72	64.7 Å²	64.7	31%	0.313	37%	0.369	S	S	.	.	H	α-helix	trans	-58.3	-40.1	177	-72.9	175.3	169.5	-177.7	0	112.4	L36 D37 W38 K44 I51	L36-K40 WeakPolarHBondContact O-CG 3.47Å; L36-K40 PolarHBondContact O-N 3.45Å; D37-K40 PolarHBondContact O-N 3.21Å; W38-K40 VanDerWaalsContact C-N 3.34Å; W38-K40 PolarHBondContact O-N 2.89Å; K40-K44 PolarHBondContact O-N 3.29Å; K40-I51 WeakPolarHBondContact CE-O 3.37Å; K40-I51 HydrophobicContact CG-CB 4.38Å; K40-I51 WeakPolarHBondContact CG-O 3.31Å
41	A	95.6	Very high	94.7	Very high	69 Å²	69	60.1 Å²	60.1	57%	0.57	35%	0.345	S	S	*	.	H	α-helix	trans	-68.6	-45.2	-179.7	0	0	0	0	0	111.9	D37 W38 C39 K44	D37-A41 WeakPolarHBondContact O-CB 3.43Å; D37-A41 PolarHBondContact O-N 3.02Å; W38-A41 PolarHBondContact O-N 3.36Å; W38-A41 VanDerWaalsContact O-N 3.13Å; C39-A41 VanDerWaalsContact C-N 3.28Å; C39-A41 PolarHBondContact O-N 3.43Å; A41-K44 WeakPolarHBondContact O-CB 3.4Å; A41-K44 PolarHBondContact O-N 3.47Å
42	V	93.9	Very high	95.2	Very high	11 Å²	11	61.5 Å²	61.5	7%	0.067	34%	0.34	C	S	.	.	H	α-helix	trans	-73	-32.3	-178.1	-58.6	0	0	0	0	112.6	W38 C39 L67 H70 F71	W38-V42 HydrophobicContact CD2-CG1 4.4Å; W38-V42 HydrophobicContact CZ2-CG1 4.24Å; W38-V42 WeakPolarHBondContact O-CG2 3.18Å; W38-V42 PolarHBondContact O-N 3.41Å; C39-V42 VanDerWaalsContact O-CG2 3.31Å; C39-V42 WeakPolarHBondContact O-CG2 3.43Å; C39-V42 PolarHBondContact O-N 3.24Å; V42-L67 HydrophobicContact CG2-CG 4.25Å; V42-H70 PolarHBondContact O-ND1 3.09Å; V42-F71 HydrophobicContact CG1-CZ 4.49Å
43	T	95.1	Very high	95.5	Very high	6 Å²	6	60.3 Å²	60.3	4%	0.037	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	12.4	178.1	71	0	0	0	0	113.5	C39 G45 Y46 V49 I51 A66 L67	C39-T43 WeakPolarHBondContact O-CG2 3.39Å; C39-T43 PolarHBondContact O-N 3.33Å; C39-T43 PolarHBondContact O-OG1 2.83Å; T43-G45 PolarHBondContact O-N 3.18Å; T43-Y46 WeakPolarHBondContact O-CD2 3.34Å; T43-Y46 PolarHBondContact O-N 3.03Å; T43-V49 HydrophobicContact CG2-CG1 4.41Å; T43-I51 HydrophobicContact CG2-CD1 3.77Å; T43-I51 WeakPolarHBondContact OG1-CD1 3.34Å; T43-A66 HydrophobicContact CG2-CB 3.84Å; T43-L67 HydrophobicContact CG2-CB 4.29Å
44	K	95.1	Very high	95.8	Very high	177 Å²	177	57 Å²	57	77%	0.77	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	124.9	177.7	-174.3	-179.9	178.1	-177.2	0	110.1	K40 A41	K40-K44 PolarHBondContact O-N 3.29Å; A41-K44 WeakPolarHBondContact O-CB 3.4Å; A41-K44 PolarHBondContact O-N 3.47Å
45	G	93.9	Very high	96	Very high	82 Å²	82	53 Å²	53	85%	0.845	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.3	-2.5	176.7	0	0	0	0	0	115	T43	T43-G45 PolarHBondContact O-N 3.18Å
46	Y	97.5	Very high	96.1	Very high	43 Å²	43	55.6 Å²	55.6	17%	0.169	32%	0.322	C	S	.	.			trans	-77.1	122.9	170.3	-74.6	-94.4	0	0	0	110.2	T43 V49 A66 H69 H70 F78	T43-Y46 WeakPolarHBondContact O-CD2 3.34Å; T43-Y46 PolarHBondContact O-N 3.03Å; Y46-V49 PolarHBondContact O-N 3.45Å; Y46-A66 HydrophobicContact CD1-CB 3.62Å; Y46-A66 HydrophobicContact CD2-CB 4.03Å; Y46-A66 HydrophobicContact CE1-CB 4.14Å; Y46-A66 HydrophobicContact CE2-CB 4.5Å; Y46-A66 HydrophobicContact CG-CB 3.55Å; Y46-H69 HydrophobicContact CE1-CB 3.97Å; Y46-H69 AromaticContact CE1-CG 3.89Å; Y46-H69 AromaticContact CE1-ND1 3.39Å; Y46-H69 WeakPolarHBondContact CE1-ND1 3.44Å; Y46-H69 AromaticContact CZ-ND1 3.57Å; Y46-H69 VanDerWaalsContact OH-C 3.31Å; Y46-H69 PolarHBondContact OH-ND1 3.44Å; Y46-H70 HydrophobicContact CE2-CB 4.44Å; Y46-H70 VanDerWaalsContact OH-CA 3.28Å; Y46-H70 WeakPolarHBondContact OH-CA 3.47Å; Y46-H70 PolarHBondContact OH-N 3.17Å; Y46-H70 VanDerWaalsContact OH-N 3.11Å; Y46-F78 HydrophobicContact CD1-CB 4.47Å; Y46-F78 AromaticContact CD1-CD1 3.6Å; Y46-F78 HydrophobicContact CD1-CD1 3.6Å; Y46-F78 AromaticContact CD1-CD2 3.71Å; Y46-F78 HydrophobicContact CD1-CD2 3.71Å; Y46-F78 AromaticContact CD1-CE1 3.67Å; Y46-F78 HydrophobicContact CD1-CE1 3.67Å; Y46-F78 AromaticContact CD1-CE2 3.79Å; Y46-F78 HydrophobicContact CD1-CE2 3.79Å; Y46-F78 AromaticContact CD1-CG 3.63Å; Y46-F78 HydrophobicContact CD1-CG 3.63Å; Y46-F78 AromaticContact CD1-CZ 3.77Å; Y46-F78 HydrophobicContact CD1-CZ 3.77Å; Y46-F78 HydrophobicContact CE1-CB 4.29Å; Y46-F78 HydrophobicContact CE1-CD1 4.25Å; Y46-F78 AromaticContact CE1-CD2 3.93Å; Y46-F78 HydrophobicContact CE1-CD2 3.93Å; Y46-F78 HydrophobicContact CE1-CE2 4.39Å; Y46-F78 AromaticContact CE1-CG 3.87Å; Y46-F78 HydrophobicContact CE1-CG 3.87Å; Y46-F78 HydrophobicContact CG-CE1 4.38Å; Y46-F78 HydrophobicContact CG-CZ 4.39Å
47	E	95.3	Very high	96.2	Very high	173 Å²	173	55.8 Å²	55.8	81%	0.808	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	140.2	179	-172.6	172.2	175.9	0	0	111.1	V49	E47-V49 PolarHBondContact O-N 3.07Å
48	G	95	Very high	96.3	Very high	56 Å²	56	52.1 Å²	52.1	58%	0.577	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	-2.7	-179.1	0	0	0	0	0	115.1
49	V	97.4	Very high	96.4	Very high	23 Å²	23	51.4 Å²	51.4	14%	0.139	31%	0.306	C	S	.	.			trans	-103.1	109.2	-178.5	-180	0	0	0	0	111.1	T43 Y46 E47 I51 L62 A63 A66 F78	T43-V49 HydrophobicContact CG2-CG1 4.41Å; Y46-V49 PolarHBondContact O-N 3.45Å; E47-V49 PolarHBondContact O-N 3.07Å; V49-I51 HydrophobicContact CG1-CD1 4.14Å; V49-I51 HydrophobicContact CG1-CG1 3.85Å; V49-L62 HydrophobicContact CG2-CB 3.89Å; V49-A63 HydrophobicContact CG1-CB 4.24Å; V49-A66 HydrophobicContact CG1-CB 4.36Å; V49-A66 HydrophobicContact CG2-CB 3.91Å; V49-F78 HydrophobicContact CG2-CZ 3.78Å
50	D	96.4	Very high	96.4	Very high	106 Å²	106	53.3 Å²	53.3	57%	0.567	32%	0.316	S	S	*	.			trans	-127.1	100.2	171	-175.3	31.3	0	0	0	111.6	Q52 S57	D50-Q52 VanDerWaalsContact CG-NE2 3.31Å; D50-Q52 PolarHBondContact O-N 2.66Å; D50-Q52 PolarHBondContact OD1-NE2 3.48Å; D50-Q52 WeakPolarHBondContact OD2-CG 3.42Å; D50-Q52 PolarHBondContact OD2-NE2 3.45Å; D50-S57 WeakPolarHBondContact O-CB 3.25Å; D50-S57 PolarHBondContact O-OG 2.98Å
51	I	97.7	Very high	96.4	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.015	30%	0.301	C	S	.	.			trans	-89.1	104.4	-174.8	-55.5	-179.4	0	0	0	109.9	L36 C39 K40 T43 V49 W58 A63	L36-I51 HydrophobicContact CD1-CG2 3.74Å; C39-I51 HydrophobicContact CB-CD1 3.81Å; C39-I51 HydrophobicContact CB-CG2 4.08Å; K40-I51 WeakPolarHBondContact CE-O 3.37Å; K40-I51 HydrophobicContact CG-CB 4.38Å; K40-I51 WeakPolarHBondContact CG-O 3.31Å; T43-I51 HydrophobicContact CG2-CD1 3.77Å; T43-I51 WeakPolarHBondContact OG1-CD1 3.34Å; V49-I51 HydrophobicContact CG1-CD1 4.14Å; V49-I51 HydrophobicContact CG1-CG1 3.85Å; I51-W58 HydrophobicContact CD1-CH2 4.03Å; I51-W58 HydrophobicContact CD1-CZ2 3.89Å; I51-W58 HydrophobicContact CG2-CZ2 3.98Å; I51-A63 HydrophobicContact CD1-CB 4.05Å; I51-A63 HydrophobicContact CG1-CB 4.08Å
52	Q	97.1	Very high	96.5	Very high	94 Å²	94	46.8 Å²	46.8	44%	0.439	28%	0.275	S	S	.	.			trans	-112.8	-15.7	-179.9	-62	-58.8	-22	0	0	113.3	D50 S57	D50-Q52 VanDerWaalsContact CG-NE2 3.31Å; D50-Q52 PolarHBondContact O-N 2.66Å; D50-Q52 PolarHBondContact OD1-NE2 3.48Å; D50-Q52 WeakPolarHBondContact OD2-CG 3.42Å; D50-Q52 PolarHBondContact OD2-NE2 3.45Å; Q52-S57 PolarHBondContact N-OG 3.37Å
53	N	97.1	Very high	96.8	Very high	57 Å²	57	46.3 Å²	46.3	31%	0.305	27%	0.272	S	S	.	.	S	Bend	trans	-159.7	178.9	179.7	57.8	66.9	0	0	0	110.3	G55 S56 S57 W58	N53-G55 VanDerWaalsContact C-N 3.35Å; N53-G55 VanDerWaalsContact OD1-CA 3.25Å; N53-G55 WeakPolarHBondContact OD1-CA 3.46Å; N53-G55 PolarHBondContact OD1-N 3.42Å; N53-S56 PolarHBondContact ND2-OG 3.4Å; N53-S56 VanDerWaalsContact ND2-OG 3.08Å; N53-S56 PolarHBondContact OD1-N 3Å; N53-S56 PolarHBondContact OD1-OG 3.44Å; N53-S57 PolarHBondContact OD1-N 3.12Å; N53-W58 PolarHBondContact O-NE1 3.01Å
54	F	97.5	Very high	96.9	Very high	2 Å²	2	46 Å²	46	1%	0.009	27%	0.27	C	S	.	.	S	Bend	trans	-94.2	14.2	174	-65.6	-72.1	0	0	0	113.2	K32 M35 L36 W58 W120 V123 F124 I127	K32-F54 HydrophobicContact CD-CD2 4.38Å; K32-F54 HydrophobicContact CG-CD2 3.79Å; K32-F54 HydrophobicContact CG-CE2 3.53Å; K32-F54 WeakPolarHBondContact O-CE2 3.24Å; M35-F54 HydrophobicContact CB-CZ 3.8Å; L36-F54 HydrophobicContact CB-CE2 4Å; L36-F54 HydrophobicContact CB-CZ 3.97Å; L36-F54 HydrophobicContact CD1-CE2 4.18Å; L36-F54 HydrophobicContact CD1-CZ 4.17Å; F54-W58 HydrophobicContact CD1-CZ2 4.48Å; F54-W120 HydrophobicContact CB-CB 4.13Å; F54-W120 WeakPolarHBondContact O-CA 3.41Å; F54-V123 HydrophobicContact CB-CB 4.37Å; F54-V123 HydrophobicContact CB-CG1 4.12Å; F54-V123 HydrophobicContact CD1-CG1 4.21Å; F54-V123 WeakPolarHBondContact O-CB 3.4Å; F54-V123 VanDerWaalsContact O-CG1 3.29Å; F54-V123 WeakPolarHBondContact O-CG1 3.29Å; F54-V123 WeakPolarHBondContact O-CG2 3.24Å; F54-F124 HydrophobicContact CB-CB 4.32Å; F54-F124 HydrophobicContact CD1-CB 4.43Å; F54-F124 HydrophobicContact CD1-CD2 4.23Å; F54-F124 HydrophobicContact CD2-CB 4.44Å; F54-F124 AromaticContact CD2-CD2 3.83Å; F54-F124 HydrophobicContact CD2-CD2 3.83Å; F54-F124 HydrophobicContact CE1-CD2 4.04Å; F54-F124 AromaticContact CE2-CD2 3.6Å; F54-F124 HydrophobicContact CE2-CD2 3.6Å; F54-F124 HydrophobicContact CE2-CE2 4.05Å; F54-F124 HydrophobicContact CG-CB 4.14Å; F54-F124 HydrophobicContact CG-CD2 4.13Å; F54-F124 AromaticContact CZ-CD2 3.71Å; F54-F124 HydrophobicContact CZ-CD2 3.71Å; F54-F124 HydrophobicContact CZ-CE2 4.11Å; F54-I127 HydrophobicContact CD1-CG1 4.14Å; F54-I127 HydrophobicContact CE1-CB 4.28Å; F54-I127 HydrophobicContact CE1-CG1 4.06Å; F54-I127 HydrophobicContact CE1-CG2 4.16Å
55	G	96.4	Very high	97.1	Very high	6 Å²	6	37.6 Å²	37.6	6%	0.062	23%	0.234	C	C	.	.	S	Bend	trans	-113.7	-100.3	177.8	0	0	0	0	0	110.6	N53 S57 W58 P118	N53-G55 VanDerWaalsContact C-N 3.35Å; N53-G55 VanDerWaalsContact OD1-CA 3.25Å; N53-G55 WeakPolarHBondContact OD1-CA 3.46Å; N53-G55 PolarHBondContact OD1-N 3.42Å; G55-S57 VanDerWaalsContact C-N 3.27Å; G55-S57 PolarHBondContact O-N 2.95Å; G55-S57 VanDerWaalsContact O-N 3.15Å; G55-W58 PolarHBondContact O-N 2.94Å; G55-P118 WeakPolarHBondContact O-CD 3.49Å; G55-P118 WeakPolarHBondContact O-CG 3.06Å
56	S	96.9	Very high	97.3	Very high	69 Å²	69	33.7 Å²	33.7	48%	0.483	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-57.5	-33.4	-170	61.1	0	0	0	0	114.4	N53 W58 G59	N53-S56 PolarHBondContact ND2-OG 3.4Å; N53-S56 VanDerWaalsContact ND2-OG 3.08Å; N53-S56 PolarHBondContact OD1-N 3Å; N53-S56 PolarHBondContact OD1-OG 3.44Å; S56-W58 PolarHBondContact O-N 2.83Å; S56-W58 VanDerWaalsContact O-N 3.1Å; S56-G59 PolarHBondContact O-N 3.4Å
57	S	97.8	Very high	97.3	Very high	20 Å²	20	31.6 Å²	31.6	14%	0.14	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-63.9	-12.9	178	-69.8	0	0	0	0	114.5	D50 Q52 N53 G55 A63	D50-S57 WeakPolarHBondContact O-CB 3.25Å; D50-S57 PolarHBondContact O-OG 2.98Å; Q52-S57 PolarHBondContact N-OG 3.37Å; N53-S57 PolarHBondContact OD1-N 3.12Å; G55-S57 VanDerWaalsContact C-N 3.27Å; G55-S57 PolarHBondContact O-N 2.95Å; G55-S57 VanDerWaalsContact O-N 3.15Å; S57-A63 WeakPolarHBondContact O-CB 3.33Å
58	W	97.9	Very high	97.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-109.6	3.5	179.6	-58.8	81.2	0	0	0	111.9	C39 I51 N53 F54 G55 S56 D60 G61 A63 F64 L67 F90 P118 V123 I127	C39-W58 HydrophobicContact CB-CH2 4.47Å; C39-W58 HydrophobicContact CB-CZ2 4.17Å; I51-W58 HydrophobicContact CD1-CH2 4.03Å; I51-W58 HydrophobicContact CD1-CZ2 3.89Å; I51-W58 HydrophobicContact CG2-CZ2 3.98Å; N53-W58 PolarHBondContact O-NE1 3.01Å; F54-W58 HydrophobicContact CD1-CZ2 4.48Å; G55-W58 PolarHBondContact O-N 2.94Å; S56-W58 PolarHBondContact O-N 2.83Å; S56-W58 VanDerWaalsContact O-N 3.1Å; W58-D60 VanDerWaalsContact C-N 3.34Å; W58-D60 PolarHBondContact O-N 3.28Å; W58-G61 PolarHBondContact O-N 2.92Å; W58-A63 HydrophobicContact CD2-CB 3.8Å; W58-A63 HydrophobicContact CE3-CB 3.5Å; W58-A63 HydrophobicContact CG-CB 4.37Å; W58-A63 HydrophobicContact CH2-CB 4.33Å; W58-A63 HydrophobicContact CZ3-CB 3.78Å; W58-F64 HydrophobicContact CB-CD2 4.44Å; W58-F64 HydrophobicContact CB-CE2 3.79Å; W58-F64 HydrophobicContact CB-CZ 4.15Å; W58-F64 HydrophobicContact CD2-CE1 4.38Å; W58-F64 HydrophobicContact CD2-CE2 4.44Å; W58-F64 HydrophobicContact CD2-CZ 4.26Å; W58-F64 AromaticContact CE3-CD1 3.49Å; W58-F64 HydrophobicContact CE3-CD1 3.49Å; W58-F64 VanDerWaalsContact CE3-CD1 3.49Å; W58-F64 AromaticContact CE3-CD2 3.84Å; W58-F64 HydrophobicContact CE3-CD2 3.84Å; W58-F64 AromaticContact CE3-CE1 3.51Å; W58-F64 HydrophobicContact CE3-CE1 3.51Å; W58-F64 AromaticContact CE3-CE2 3.84Å; W58-F64 HydrophobicContact CE3-CE2 3.84Å; W58-F64 AromaticContact CE3-CG 3.67Å; W58-F64 HydrophobicContact CE3-CG 3.67Å; W58-F64 AromaticContact CE3-CZ 3.69Å; W58-F64 HydrophobicContact CE3-CZ 3.69Å; W58-F64 HydrophobicContact CG-CE2 4.48Å; W58-F64 HydrophobicContact CG-CZ 4.48Å; W58-F64 AromaticContact CZ3-CD1 3.6Å; W58-F64 HydrophobicContact CZ3-CD1 3.6Å; W58-F64 AromaticContact CZ3-CE1 3.88Å; W58-F64 HydrophobicContact CZ3-CE1 3.88Å; W58-F64 HydrophobicContact CZ3-CG 4.02Å; W58-L67 HydrophobicContact CH2-CD1 3.9Å; W58-L67 HydrophobicContact CZ3-CD1 4.36Å; W58-F90 WeakPolarHBondContact O-CE1 3.37Å; W58-P118 HydrophobicContact CB-CG 4.41Å; W58-V123 HydrophobicContact CB-CG1 4.14Å; W58-V123 HydrophobicContact CD2-CG1 3.82Å; W58-V123 HydrophobicContact CE3-CG1 4.47Å; W58-V123 HydrophobicContact CG-CG1 3.63Å; W58-I127 HydrophobicContact CE3-CD1 4.07Å; W58-I127 HydrophobicContact CH2-CD1 3.23Å; W58-I127 HydrophobicContact CH2-CG1 3.82Å; W58-I127 HydrophobicContact CZ2-CD1 3.82Å; W58-I127 HydrophobicContact CZ2-CG1 3.87Å; W58-I127 HydrophobicContact CZ3-CD1 3.38Å; W58-I127 HydrophobicContact CZ3-CG1 4.32Å
59	G	96.7	Very high	97.3	Very high	11 Å²	11	22.1 Å²	22.1	11%	0.113	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-24	-170.4	0	0	0	0	0	114.4	S56 K86 F90	S56-G59 PolarHBondContact O-N 3.4Å; G59-K86 WeakPolarHBondContact O-CE 3.45Å; G59-F90 VanDerWaalsContact O-CZ 3.26Å; G59-F90 WeakPolarHBondContact O-CZ 3.43Å
60	D	97	Very high	97.3	Very high	39 Å²	39	25.1 Å²	25.1	21%	0.209	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-4.6	-179.7	61.5	11.7	0	0	0	114.3	W58 L62 P83 N89	W58-D60 VanDerWaalsContact C-N 3.34Å; W58-D60 PolarHBondContact O-N 3.28Å; D60-L62 PolarHBondContact O-N 2.93Å; D60-L62 PolarHBondContact OD1-N 3.07Å; D60-P83 HydrophobicContact CB-CB 4.06Å; D60-N89 WeakPolarHBondContact O-CB 3.26Å; D60-N89 PolarHBondContact O-ND2 2.99Å
61	G	97.4	Very high	97.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	79.8	-10.7	-177.4	0	0	0	0	0	115.3	W58 A63 F64 C65 F90	W58-G61 PolarHBondContact O-N 2.92Å; G61-A63 PolarHBondContact O-N 3.24Å; G61-F64 PolarHBondContact O-N 3.45Å; G61-C65 PolarHBondContact O-N 3Å; G61-C65 PolarHBondContact O-SG 2.91Å; G61-F90 VanDerWaalsContact CA-CE1 3.43Å
62	L	98.2	Very high	96.9	Very high	4 Å²	4	25 Å²	25	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-68.3	-37.9	-176.9	-68.5	-173.7	0	0	0	112.2	V49 D60 F64 C65 A66 L81 P83	V49-L62 HydrophobicContact CG2-CB 3.89Å; D60-L62 PolarHBondContact O-N 2.93Å; D60-L62 PolarHBondContact OD1-N 3.07Å; L62-F64 VanDerWaalsContact C-N 3.28Å; L62-F64 PolarHBondContact O-N 3.17Å; L62-C65 WeakPolarHBondContact O-CB 3.33Å; L62-C65 PolarHBondContact O-N 3.08Å; L62-C65 VanDerWaalsContact O-N 3.17Å; L62-A66 WeakPolarHBondContact O-CB 3.37Å; L62-A66 PolarHBondContact O-N 3.29Å; L62-L81 HydrophobicContact CD2-CB 3.63Å; L62-L81 HydrophobicContact CD2-CD1 4.22Å; L62-P83 HydrophobicContact CD1-CB 3.74Å; L62-P83 HydrophobicContact CD1-CG 4.22Å; L62-P83 HydrophobicContact CG-CB 4.37Å
63	A	98.5	Very high	96.8	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-61.1	-37.4	176.2	0	0	0	0	0	112.3	V49 I51 S57 W58 G61 L67	V49-A63 HydrophobicContact CG1-CB 4.24Å; I51-A63 HydrophobicContact CD1-CB 4.05Å; I51-A63 HydrophobicContact CG1-CB 4.08Å; S57-A63 WeakPolarHBondContact O-CB 3.33Å; W58-A63 HydrophobicContact CD2-CB 3.8Å; W58-A63 HydrophobicContact CE3-CB 3.5Å; W58-A63 HydrophobicContact CG-CB 4.37Å; W58-A63 HydrophobicContact CH2-CB 4.33Å; W58-A63 HydrophobicContact CZ3-CB 3.78Å; G61-A63 PolarHBondContact O-N 3.24Å; A63-L67 WeakPolarHBondContact O-CB 3.31Å; A63-L67 PolarHBondContact O-N 3.11Å; A63-L67 VanDerWaalsContact O-N 3.17Å
64	F	98.4	Very high	96.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.8	-46.4	173	-68.8	-68.7	0	0	0	111.1	W58 G61 L62 A66 L67 I68 F90 A93 F94 L107 V123 Q126 I127 Y130	W58-F64 HydrophobicContact CB-CD2 4.44Å; W58-F64 HydrophobicContact CB-CE2 3.79Å; W58-F64 HydrophobicContact CB-CZ 4.15Å; W58-F64 HydrophobicContact CD2-CE1 4.38Å; W58-F64 HydrophobicContact CD2-CE2 4.44Å; W58-F64 HydrophobicContact CD2-CZ 4.26Å; W58-F64 AromaticContact CE3-CD1 3.49Å; W58-F64 HydrophobicContact CE3-CD1 3.49Å; W58-F64 VanDerWaalsContact CE3-CD1 3.49Å; W58-F64 AromaticContact CE3-CD2 3.84Å; W58-F64 HydrophobicContact CE3-CD2 3.84Å; W58-F64 AromaticContact CE3-CE1 3.51Å; W58-F64 HydrophobicContact CE3-CE1 3.51Å; W58-F64 AromaticContact CE3-CE2 3.84Å; W58-F64 HydrophobicContact CE3-CE2 3.84Å; W58-F64 AromaticContact CE3-CG 3.67Å; W58-F64 HydrophobicContact CE3-CG 3.67Å; W58-F64 AromaticContact CE3-CZ 3.69Å; W58-F64 HydrophobicContact CE3-CZ 3.69Å; W58-F64 HydrophobicContact CG-CE2 4.48Å; W58-F64 HydrophobicContact CG-CZ 4.48Å; W58-F64 AromaticContact CZ3-CD1 3.6Å; W58-F64 HydrophobicContact CZ3-CD1 3.6Å; W58-F64 AromaticContact CZ3-CE1 3.88Å; W58-F64 HydrophobicContact CZ3-CE1 3.88Å; W58-F64 HydrophobicContact CZ3-CG 4.02Å; G61-F64 PolarHBondContact O-N 3.45Å; L62-F64 VanDerWaalsContact C-N 3.28Å; L62-F64 PolarHBondContact O-N 3.17Å; F64-A66 PolarHBondContact O-N 3.39Å; F64-L67 PolarHBondContact O-N 3.36Å; F64-I68 WeakPolarHBondContact O-CG1 3.35Å; F64-I68 PolarHBondContact O-N 3.49Å; F64-I68 VanDerWaalsContact O-N 3.12Å; F64-F90 HydrophobicContact CD2-CD1 4.01Å; F64-F90 AromaticContact CD2-CE1 3.78Å; F64-F90 HydrophobicContact CD2-CE1 3.78Å; F64-F90 HydrophobicContact CE2-CD1 4.33Å; F64-F90 AromaticContact CE2-CE1 3.84Å; F64-F90 HydrophobicContact CE2-CE1 3.84Å; F64-A93 HydrophobicContact CB-CB 3.63Å; F64-F94 HydrophobicContact CD1-CE1 4.22Å; F64-F94 HydrophobicContact CD2-CE1 4.33Å; F64-F94 HydrophobicContact CE1-CE1 4.38Å; F64-F94 HydrophobicContact CE2-CE1 4.49Å; F64-F94 HydrophobicContact CE2-CZ 4.46Å; F64-F94 HydrophobicContact CG-CE1 4.18Å; F64-L107 HydrophobicContact CZ-CD1 4.23Å; F64-V123 HydrophobicContact CZ-CG1 4.07Å; F64-V123 HydrophobicContact CZ-CG2 4.29Å; F64-Q126 HydrophobicContact CE1-CG 4.19Å; F64-I127 HydrophobicContact CD1-CD1 4.27Å; F64-I127 HydrophobicContact CE1-CD1 3.9Å; F64-Y130 AromaticContact CD1-CE2 3.97Å; F64-Y130 HydrophobicContact CD1-CE2 3.97Å
65	C	98.2	Very high	96.4	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57.9	-47.7	177.2	-66.1	0	0	0	0	111.8	G61 L62 L67 I68 H69 F76 F78 L81 N89	G61-C65 PolarHBondContact O-N 3Å; G61-C65 PolarHBondContact O-SG 2.91Å; L62-C65 WeakPolarHBondContact O-CB 3.33Å; L62-C65 PolarHBondContact O-N 3.08Å; L62-C65 VanDerWaalsContact O-N 3.17Å; C65-L67 VanDerWaalsContact C-N 3.31Å; C65-L67 PolarHBondContact O-N 3.49Å; C65-I68 PolarHBondContact O-N 3.27Å; C65-H69 VanDerWaalsContact O-CB 3.26Å; C65-H69 WeakPolarHBondContact O-CB 3.38Å; C65-H69 PolarHBondContact O-N 3.46Å; C65-F76 HydrophobicContact CB-CE2 4.12Å; C65-F76 HydrophobicContact CB-CZ 4.06Å; C65-F76 WeakPolarHBondContact O-CZ 3.48Å; C65-F78 HydrophobicContact CB-CD2 4.13Å; C65-F78 HydrophobicContact CB-CE2 3.84Å; C65-L81 HydrophobicContact CB-CD1 3.59Å; C65-N89 PolarHBondContact SG-O 3.02Å
66	A	98.2	Very high	96.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.3	-39.8	-178.5	0	0	0	0	0	111.9	T43 Y46 V49 L62 F64 H69 H70 F78	T43-A66 HydrophobicContact CG2-CB 3.84Å; Y46-A66 HydrophobicContact CD1-CB 3.62Å; Y46-A66 HydrophobicContact CD2-CB 4.03Å; Y46-A66 HydrophobicContact CE1-CB 4.14Å; Y46-A66 HydrophobicContact CE2-CB 4.5Å; Y46-A66 HydrophobicContact CG-CB 3.55Å; V49-A66 HydrophobicContact CG1-CB 4.36Å; V49-A66 HydrophobicContact CG2-CB 3.91Å; L62-A66 WeakPolarHBondContact O-CB 3.37Å; L62-A66 PolarHBondContact O-N 3.29Å; F64-A66 PolarHBondContact O-N 3.39Å; A66-H69 PolarHBondContact O-N 2.89Å; A66-H70 WeakPolarHBondContact O-CB 3.4Å; A66-H70 PolarHBondContact O-N 2.78Å; A66-F78 HydrophobicContact CB-CD2 4.39Å; A66-F78 HydrophobicContact CB-CE2 3.61Å; A66-F78 HydrophobicContact CB-CZ 4Å
67	L	97.3	Very high	96.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.8	-46	177.2	-169	157.7	0	0	0	111.1	W38 V42 T43 W58 A63 F64 C65 H70 F71 I127 Y130 F134	W38-L67 HydrophobicContact CH2-CD1 3.91Å; W38-L67 HydrophobicContact CH2-CD2 4.16Å; W38-L67 HydrophobicContact CH2-CG 4.25Å; W38-L67 HydrophobicContact CZ3-CD1 3.79Å; V42-L67 HydrophobicContact CG2-CG 4.25Å; T43-L67 HydrophobicContact CG2-CB 4.29Å; W58-L67 HydrophobicContact CH2-CD1 3.9Å; W58-L67 HydrophobicContact CZ3-CD1 4.36Å; A63-L67 WeakPolarHBondContact O-CB 3.31Å; A63-L67 PolarHBondContact O-N 3.11Å; A63-L67 VanDerWaalsContact O-N 3.17Å; F64-L67 PolarHBondContact O-N 3.36Å; C65-L67 VanDerWaalsContact C-N 3.31Å; C65-L67 PolarHBondContact O-N 3.49Å; L67-H70 WeakPolarHBondContact O-CB 3.45Å; L67-H70 PolarHBondContact O-N 2.8Å; L67-F71 HydrophobicContact CD2-CD2 4.5Å; L67-F71 HydrophobicContact CD2-CE2 4.34Å; L67-F71 VanDerWaalsContact O-CD2 3.31Å; L67-F71 WeakPolarHBondContact O-CD2 3.09Å; L67-I127 HydrophobicContact CD1-CD1 4.15Å; L67-Y130 HydrophobicContact CD1-CD2 4.27Å; L67-Y130 HydrophobicContact CD2-CD2 3.66Å; L67-Y130 HydrophobicContact CD2-CE2 4.49Å; L67-Y130 HydrophobicContact CD2-CG 4.17Å; L67-F134 HydrophobicContact CD2-CD2 4.04Å; L67-F134 HydrophobicContact CD2-CE2 4.37Å
68	I	95.8	Very high	96.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.1	-46.1	176.6	-60	-56.4	0	0	0	111.3	F64 C65 H70 F71 Y72 F76 K96 A97 Y130 F134	F64-I68 WeakPolarHBondContact O-CG1 3.35Å; F64-I68 PolarHBondContact O-N 3.49Å; F64-I68 VanDerWaalsContact O-N 3.12Å; C65-I68 PolarHBondContact O-N 3.27Å; I68-H70 PolarHBondContact O-N 3.44Å; I68-F71 PolarHBondContact O-N 2.72Å; I68-F71 VanDerWaalsContact O-N 3.12Å; I68-Y72 HydrophobicContact CG2-CD2 4.18Å; I68-Y72 PolarHBondContact O-N 3.46Å; I68-F76 HydrophobicContact CG2-CE1 4.24Å; I68-K96 HydrophobicContact CG2-CB 3.88Å; I68-A97 HydrophobicContact CD1-CB 3.65Å; I68-A97 HydrophobicContact CG1-CB 4.29Å; I68-Y130 HydrophobicContact CD1-CD2 4.36Å; I68-Y130 HydrophobicContact CD1-CE1 4.47Å; I68-Y130 HydrophobicContact CD1-CE2 4Å; I68-F134 HydrophobicContact CD1-CD2 4.21Å; I68-F134 HydrophobicContact CD1-CE2 3.25Å; I68-F134 HydrophobicContact CD1-CZ 3.52Å
69	H	96.3	Very high	96.3	Very high	30 Å²	30	36.8 Å²	36.8	14%	0.139	20%	0.201	C	C	.	.	H	α-helix	trans	-62.4	-29.3	-179.7	-172.4	-81.8	0	0	0	112.6	Y46 C65 A66 F71 Y72 P73 F76 F78	Y46-H69 HydrophobicContact CE1-CB 3.97Å; Y46-H69 AromaticContact CE1-CG 3.89Å; Y46-H69 AromaticContact CE1-ND1 3.39Å; Y46-H69 WeakPolarHBondContact CE1-ND1 3.44Å; Y46-H69 AromaticContact CZ-ND1 3.57Å; Y46-H69 VanDerWaalsContact OH-C 3.31Å; Y46-H69 PolarHBondContact OH-ND1 3.44Å; C65-H69 VanDerWaalsContact O-CB 3.26Å; C65-H69 WeakPolarHBondContact O-CB 3.38Å; C65-H69 PolarHBondContact O-N 3.46Å; A66-H69 PolarHBondContact O-N 2.89Å; H69-F71 VanDerWaalsContact C-N 3.31Å; H69-F71 PolarHBondContact O-N 3.11Å; H69-Y72 CarbonylContact O-C 3.27Å; H69-Y72 VanDerWaalsContact O-C 3.27Å; H69-Y72 PolarHBondContact O-N 3.09Å; H69-P73 PolarHBondContact NE2-O 3.42Å; H69-P73 WeakPolarHBondContact O-CA 3.22Å; H69-F76 HydrophobicContact CB-CE2 4.13Å; H69-F76 HydrophobicContact CB-CZ 3.87Å; H69-F76 AromaticContact CD2-CE2 3.99Å; H69-F76 PolarHBondContact CD2-O 2.88Å; H69-F76 PolarHBondContact NE2-O 3.49Å; H69-F78 HydrophobicContact CB-CD2 4.43Å
70	H	95.7	Very high	96.3	Very high	85 Å²	85	41 Å²	41	39%	0.394	22%	0.224	S	C	.	.	H	α-helix	trans	-58.9	-41.3	173.8	177.9	88.8	0	0	0	112.7	V42 Y46 A66 L67 I68	V42-H70 PolarHBondContact O-ND1 3.09Å; Y46-H70 HydrophobicContact CE2-CB 4.44Å; Y46-H70 VanDerWaalsContact OH-CA 3.28Å; Y46-H70 WeakPolarHBondContact OH-CA 3.47Å; Y46-H70 PolarHBondContact OH-N 3.17Å; Y46-H70 VanDerWaalsContact OH-N 3.11Å; A66-H70 WeakPolarHBondContact O-CB 3.4Å; A66-H70 PolarHBondContact O-N 2.78Å; L67-H70 WeakPolarHBondContact O-CB 3.45Å; L67-H70 PolarHBondContact O-N 2.8Å; I68-H70 PolarHBondContact O-N 3.44Å
71	F	93.4	Very high	96.3	Very high	53 Å²	53	41 Å²	41	23%	0.232	22%	0.224	C	C	.	.	H	α-helix	trans	-88.1	-26.2	179.6	-66.4	-82	0	0	0	112.8	W38 V42 L67 I68 H69 F134 H135	W38-F71 AromaticContact CZ2-CE2 3.99Å; W38-F71 HydrophobicContact CZ2-CE2 3.99Å; W38-F71 AromaticContact CZ2-CZ 3.92Å; W38-F71 HydrophobicContact CZ2-CZ 3.92Å; V42-F71 HydrophobicContact CG1-CZ 4.49Å; L67-F71 HydrophobicContact CD2-CD2 4.5Å; L67-F71 HydrophobicContact CD2-CE2 4.34Å; L67-F71 VanDerWaalsContact O-CD2 3.31Å; L67-F71 WeakPolarHBondContact O-CD2 3.09Å; I68-F71 PolarHBondContact O-N 2.72Å; I68-F71 VanDerWaalsContact O-N 3.12Å; H69-F71 VanDerWaalsContact C-N 3.31Å; H69-F71 PolarHBondContact O-N 3.11Å; F71-F134 HydrophobicContact CB-CB 4.4Å; F71-F134 HydrophobicContact CD1-CB 3.85Å; F71-F134 HydrophobicContact CD2-CB 3.61Å; F71-F134 HydrophobicContact CD2-CD2 4.34Å; F71-F134 HydrophobicContact CD2-CG 4.15Å; F71-F134 HydrophobicContact CE1-CB 3.96Å; F71-F134 WeakPolarHBondContact CE1-O 2.73Å; F71-F134 HydrophobicContact CE2-CB 3.74Å; F71-F134 HydrophobicContact CG-CB 3.68Å; F71-F134 HydrophobicContact CG-CG 4.36Å; F71-F134 HydrophobicContact CZ-CB 3.92Å; F71-H135 HydrophobicContact CZ-CB 4.29Å
72	Y	94	Very high	96.3	Very high	53 Å²	53	43.7 Å²	43.7	21%	0.208	24%	0.239	C	C	.	.			trans	-132	71.7	-179.1	-51.8	-79.7	0	0	0	110.9	I68 H69 D74 S75 L100 F134	I68-Y72 HydrophobicContact CG2-CD2 4.18Å; I68-Y72 PolarHBondContact O-N 3.46Å; H69-Y72 CarbonylContact O-C 3.27Å; H69-Y72 VanDerWaalsContact O-C 3.27Å; H69-Y72 PolarHBondContact O-N 3.09Å; Y72-D74 PolarHBondContact O-N 3.22Å; Y72-S75 VanDerWaalsContact O-CB 3.27Å; Y72-S75 WeakPolarHBondContact O-CB 3.49Å; Y72-S75 PolarHBondContact O-N 3.29Å; Y72-S75 VanDerWaalsContact O-N 3.09Å; Y72-S75 PolarHBondContact O-OG 3.47Å; Y72-L100 HydrophobicContact CD1-CB 4.22Å; Y72-L100 HydrophobicContact CD1-CD1 4.08Å; Y72-L100 HydrophobicContact CD2-CB 4.11Å; Y72-L100 HydrophobicContact CD2-CD1 3.91Å; Y72-L100 HydrophobicContact CE1-CB 3.97Å; Y72-L100 HydrophobicContact CE2-CB 3.87Å; Y72-L100 HydrophobicContact CG-CB 4.27Å; Y72-L100 HydrophobicContact CG-CD1 3.65Å; Y72-L100 PolarHBondContact OH-O 2.85Å; Y72-F134 AromaticContact CE2-CD1 3.63Å; Y72-F134 HydrophobicContact CE2-CD1 3.63Å; Y72-F134 AromaticContact CE2-CE1 3.54Å; Y72-F134 HydrophobicContact CE2-CE1 3.54Å; Y72-F134 HydrophobicContact CE2-CZ 4.38Å
73	P	94.7	Very high	96.2	Very high	71 Å²	71	46.4 Å²	46.4	46%	0.461	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-64.2	-25.4	-175.6	25	-34.8	0	0	0	113.2	H69 S75	H69-P73 PolarHBondContact NE2-O 3.42Å; H69-P73 WeakPolarHBondContact O-CA 3.22Å; P73-S75 VanDerWaalsContact C-N 3.27Å; P73-S75 PolarHBondContact O-N 2.92Å
74	D	93	Very high	96.2	Very high	165 Å²	165	54.7 Å²	54.7	88%	0.882	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-84.7	2.3	178.8	-55.7	-44.4	0	0	0	113.3	Y72	Y72-D74 PolarHBondContact O-N 3.22Å
75	S	92.8	Very high	96.1	Very high	24 Å²	24	59 Å²	59	17%	0.168	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-79.8	-27.5	-171.7	65.1	0	0	0	0	114.6	Y72 P73 K96	Y72-S75 VanDerWaalsContact O-CB 3.27Å; Y72-S75 WeakPolarHBondContact O-CB 3.49Å; Y72-S75 PolarHBondContact O-N 3.29Å; Y72-S75 VanDerWaalsContact O-N 3.09Å; Y72-S75 PolarHBondContact O-OG 3.47Å; P73-S75 VanDerWaalsContact C-N 3.27Å; P73-S75 PolarHBondContact O-N 2.92Å; S75-K96 WeakPolarHBondContact O-CE 3.35Å; S75-K96 PolarHBondContact O-NZ 2.93Å
76	F	97	Very high	96	Very high	30 Å²	30	61.4 Å²	61.4	13%	0.132	33%	0.326	C	S	.	.	S	Bend	trans	-171	161.2	174.9	55.4	-89.9	0	0	0	109.7	C65 I68 H69 F78 L81 L92 K96	C65-F76 HydrophobicContact CB-CE2 4.12Å; C65-F76 HydrophobicContact CB-CZ 4.06Å; C65-F76 WeakPolarHBondContact O-CZ 3.48Å; I68-F76 HydrophobicContact CG2-CE1 4.24Å; H69-F76 HydrophobicContact CB-CE2 4.13Å; H69-F76 HydrophobicContact CB-CZ 3.87Å; H69-F76 AromaticContact CD2-CE2 3.99Å; H69-F76 PolarHBondContact CD2-O 2.88Å; H69-F76 PolarHBondContact NE2-O 3.49Å; F76-F78 HydrophobicContact CE2-CD2 4.28Å; F76-F78 PolarHBondContact O-N 3.5Å; F76-L81 HydrophobicContact CD2-CD1 4.35Å; F76-L81 HydrophobicContact CE2-CD1 3.91Å; F76-L92 HydrophobicContact CB-CD1 4.23Å; F76-L92 HydrophobicContact CB-CD2 4.34Å; F76-L92 HydrophobicContact CD1-CD1 4.11Å; F76-L92 HydrophobicContact CD1-CD2 4.28Å; F76-L92 HydrophobicContact CD1-CG 4.2Å; F76-L92 HydrophobicContact CD2-CD2 3.68Å; F76-L92 HydrophobicContact CD2-CG 4.45Å; F76-L92 HydrophobicContact CE1-CG 4.38Å; F76-L92 HydrophobicContact CE2-CD2 3.96Å; F76-L92 HydrophobicContact CG-CD1 4.15Å; F76-L92 HydrophobicContact CG-CD2 3.84Å; F76-L92 HydrophobicContact CG-CG 4.23Å; F76-L92 HydrophobicContact CZ-CD2 4.37Å; F76-K96 HydrophobicContact CD1-CD 4.46Å; F76-K96 HydrophobicContact CD1-CG 3.88Å; F76-K96 HydrophobicContact CE1-CB 4.41Å; F76-K96 HydrophobicContact CE1-CG 4.03Å
77	D	96.8	Very high	96	Very high	89 Å²	89	65.8 Å²	65.8	48%	0.476	34%	0.342	S	S	.	.			trans	-85.4	104.6	176.8	-176.9	-5	0	0	0	111.3	S79 T80	D77-S79 VanDerWaalsContact CG-OG 3.3Å; D77-S79 PolarHBondContact O-N 3.42Å; D77-S79 WeakPolarHBondContact OD1-CB 3.5Å; D77-S79 PolarHBondContact OD1-N 3.48Å; D77-S79 PolarHBondContact OD1-OG 3.28Å; D77-S79 PolarHBondContact OD2-OG 2.95Å; D77-T80 HydrophobicContact CB-CG2 4.06Å; D77-T80 PolarHBondContact O-N 2.65Å; D77-T80 PolarHBondContact O-OG1 2.84Å; D77-T80 WeakPolarHBondContact OD2-CG2 3.32Å
78	F	97.8	Very high	96.1	Very high	19 Å²	19	68.3 Å²	68.3	8%	0.083	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-60.2	-32	179.1	-172.6	-85.4	0	0	0	113.3	Y46 V49 C65 A66 H69 F76 T80 L81	Y46-F78 HydrophobicContact CD1-CB 4.47Å; Y46-F78 AromaticContact CD1-CD1 3.6Å; Y46-F78 HydrophobicContact CD1-CD1 3.6Å; Y46-F78 AromaticContact CD1-CD2 3.71Å; Y46-F78 HydrophobicContact CD1-CD2 3.71Å; Y46-F78 AromaticContact CD1-CE1 3.67Å; Y46-F78 HydrophobicContact CD1-CE1 3.67Å; Y46-F78 AromaticContact CD1-CE2 3.79Å; Y46-F78 HydrophobicContact CD1-CE2 3.79Å; Y46-F78 AromaticContact CD1-CG 3.63Å; Y46-F78 HydrophobicContact CD1-CG 3.63Å; Y46-F78 AromaticContact CD1-CZ 3.77Å; Y46-F78 HydrophobicContact CD1-CZ 3.77Å; Y46-F78 HydrophobicContact CE1-CB 4.29Å; Y46-F78 HydrophobicContact CE1-CD1 4.25Å; Y46-F78 AromaticContact CE1-CD2 3.93Å; Y46-F78 HydrophobicContact CE1-CD2 3.93Å; Y46-F78 HydrophobicContact CE1-CE2 4.39Å; Y46-F78 AromaticContact CE1-CG 3.87Å; Y46-F78 HydrophobicContact CE1-CG 3.87Å; Y46-F78 HydrophobicContact CG-CE1 4.38Å; Y46-F78 HydrophobicContact CG-CZ 4.39Å; V49-F78 HydrophobicContact CG2-CZ 3.78Å; C65-F78 HydrophobicContact CB-CD2 4.13Å; C65-F78 HydrophobicContact CB-CE2 3.84Å; A66-F78 HydrophobicContact CB-CD2 4.39Å; A66-F78 HydrophobicContact CB-CE2 3.61Å; A66-F78 HydrophobicContact CB-CZ 4Å; H69-F78 HydrophobicContact CB-CD2 4.43Å; F76-F78 HydrophobicContact CE2-CD2 4.28Å; F76-F78 PolarHBondContact O-N 3.5Å; F78-T80 PolarHBondContact O-N 3.37Å; F78-T80 VanDerWaalsContact O-N 3.11Å; F78-L81 HydrophobicContact CD2-CD1 3.87Å; F78-L81 HydrophobicContact CE2-CD1 4.11Å; F78-L81 HydrophobicContact CG-CD1 4.41Å; F78-L81 WeakPolarHBondContact O-CB 3.44Å; F78-L81 WeakPolarHBondContact O-CG 3.27Å; F78-L81 PolarHBondContact O-N 2.98Å; F78-L81 VanDerWaalsContact O-N 3.14Å
79	S	96.1	Very high	96.2	Very high	98 Å²	98	68.4 Å²	68.4	69%	0.685	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-66.6	-16.2	-175.1	72.5	0	0	0	0	113.6	D77	D77-S79 VanDerWaalsContact CG-OG 3.3Å; D77-S79 PolarHBondContact O-N 3.42Å; D77-S79 WeakPolarHBondContact OD1-CB 3.5Å; D77-S79 PolarHBondContact OD1-N 3.48Å; D77-S79 PolarHBondContact OD1-OG 3.28Å; D77-S79 PolarHBondContact OD2-OG 2.95Å
80	T	96.3	Very high	96.3	Very high	100 Å²	100	67 Å²	67	61%	0.613	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-87.4	-6.8	179.1	66.2	0	0	0	0	113.8	D77 F78	D77-T80 HydrophobicContact CB-CG2 4.06Å; D77-T80 PolarHBondContact O-N 2.65Å; D77-T80 PolarHBondContact O-OG1 2.84Å; D77-T80 WeakPolarHBondContact OD2-CG2 3.32Å; F78-T80 PolarHBondContact O-N 3.37Å; F78-T80 VanDerWaalsContact O-N 3.11Å
81	L	97.2	Very high	96.4	Very high	38 Å²	38	67.2 Å²	67.2	20%	0.199	36%	0.358	C	S	.	.			trans	-80.1	143.8	-176.1	-56.8	-177	0	0	0	111.7	L62 C65 F76 F78 L92	L62-L81 HydrophobicContact CD2-CB 3.63Å; L62-L81 HydrophobicContact CD2-CD1 4.22Å; C65-L81 HydrophobicContact CB-CD1 3.59Å; F76-L81 HydrophobicContact CD2-CD1 4.35Å; F76-L81 HydrophobicContact CE2-CD1 3.91Å; F78-L81 HydrophobicContact CD2-CD1 3.87Å; F78-L81 HydrophobicContact CE2-CD1 4.11Å; F78-L81 HydrophobicContact CG-CD1 4.41Å; F78-L81 WeakPolarHBondContact O-CB 3.44Å; F78-L81 WeakPolarHBondContact O-CG 3.27Å; F78-L81 PolarHBondContact O-N 2.98Å; F78-L81 VanDerWaalsContact O-N 3.14Å; L81-L92 HydrophobicContact CD1-CD2 4.25Å; L81-L92 HydrophobicContact CD2-CD2 3.71Å
82	D	97.4	Very high	96.6	Very high	58 Å²	58	66.4 Å²	66.4	31%	0.31	36%	0.356	S	S	.	.			trans	-121.1	129.5	177.8	-176.5	-24.7	0	0	0	109.1	K84 N85 N89	D82-K84 PolarHBondContact O-N 3.25Å; D82-K84 VanDerWaalsContact O-N 3.11Å; D82-K84 VanDerWaalsContact OD1-CB 3.26Å; D82-K84 WeakPolarHBondContact OD1-CB 3.2Å; D82-K84 WeakPolarHBondContact OD1-CG 3.13Å; D82-K84 PolarHBondContact OD1-N 3.38Å; D82-N85 HydrophobicContact CB-CB 4.49Å; D82-N85 PolarHBondContact O-N 3.12Å; D82-N89 PolarHBondContact O-ND2 3.35Å
83	P	96.5	Very high	96.8	Very high	61 Å²	61	63.9 Å²	63.9	40%	0.396	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.9	176.5	24.1	-33.9	0	0	0	113.9	D60 L62 N85	D60-P83 HydrophobicContact CB-CB 4.06Å; L62-P83 HydrophobicContact CD1-CB 3.74Å; L62-P83 HydrophobicContact CD1-CG 4.22Å; L62-P83 HydrophobicContact CG-CB 4.37Å; P83-N85 VanDerWaalsContact C-N 3.29Å
84	K	96.6	Very high	96.9	Very high	175 Å²	175	60.9 Å²	60.9	76%	0.761	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-25.1	174.6	-63.4	171.7	-175.6	168.3	0	112.3	D82 K86	D82-K84 PolarHBondContact O-N 3.25Å; D82-K84 VanDerWaalsContact O-N 3.11Å; D82-K84 VanDerWaalsContact OD1-CB 3.26Å; D82-K84 WeakPolarHBondContact OD1-CB 3.2Å; D82-K84 WeakPolarHBondContact OD1-CG 3.13Å; D82-K84 PolarHBondContact OD1-N 3.38Å; K84-K86 PolarHBondContact O-N 3.17Å; K84-K86 VanDerWaalsContact O-N 3.1Å
85	N	96.8	Very high	97.2	Very high	90 Å²	90	56.8 Å²	56.8	48%	0.481	30%	0.302	S	S	.	.			trans	-88.6	49.6	-178.6	-67.1	-26	0	0	0	112	D82 P83 R87 A88 N89	D82-N85 HydrophobicContact CB-CB 4.49Å; D82-N85 PolarHBondContact O-N 3.12Å; P83-N85 VanDerWaalsContact C-N 3.29Å; N85-R87 VanDerWaalsContact C-N 3.32Å; N85-R87 PolarHBondContact O-N 3.46Å; N85-R87 VanDerWaalsContact O-N 3.16Å; N85-A88 HydrophobicContact CB-CB 4.36Å; N85-A88 PolarHBondContact O-N 2.87Å; N85-A88 VanDerWaalsContact O-N 3.11Å; N85-N89 PolarHBondContact O-N 2.79Å; N85-N89 PolarHBondContact O-ND2 3.33Å
86	K	97	Very high	97.3	Very high	51 Å²	51	57.9 Å²	57.9	22%	0.222	30%	0.303	C	S	.	.	H	α-helix	trans	-44.6	-51.8	-175.2	-60.3	-179.6	69.2	-159.8	0	113.5	G59 K84 A88 N89 F90 L112 M113	G59-K86 WeakPolarHBondContact O-CE 3.45Å; K84-K86 PolarHBondContact O-N 3.17Å; K84-K86 VanDerWaalsContact O-N 3.1Å; K86-A88 PolarHBondContact O-N 3.04Å; K86-N89 PolarHBondContact O-N 3.01Å; K86-F90 HydrophobicContact CB-CD2 4.43Å; K86-F90 HydrophobicContact CB-CE2 4.14Å; K86-F90 WeakPolarHBondContact O-CD2 3.42Å; K86-F90 WeakPolarHBondContact O-CG 3.19Å; K86-F90 PolarHBondContact O-N 3.35Å; K86-L112 PolarHBondContact NZ-O 3.46Å; K86-M113 HydrophobicContact CB-CE 4.16Å; K86-M113 HydrophobicContact CB-SD 3.69Å
87	R	97.9	Very high	97.2	Very high	92 Å²	92	56.5 Å²	56.5	35%	0.347	30%	0.297	S	S	.	.	H	α-helix	trans	-59	-51	-176.9	175.7	173.7	-84.2	105.7	-5.3	111.1	N85 N89 F90 E91 I109 E110 M113	N85-R87 VanDerWaalsContact C-N 3.32Å; N85-R87 PolarHBondContact O-N 3.46Å; N85-R87 VanDerWaalsContact O-N 3.16Å; R87-N89 VanDerWaalsContact C-N 3.29Å; R87-N89 PolarHBondContact O-N 3.43Å; R87-F90 PolarHBondContact O-N 2.98Å; R87-E91 WeakPolarHBondContact CD-OE1 3.47Å; R87-E91 HydrophobicContact CG-CG 4.26Å; R87-E91 VanDerWaalsContact CG-OE1 3.24Å; R87-E91 WeakPolarHBondContact CG-OE1 3.48Å; R87-E91 WeakPolarHBondContact O-CB 3.31Å; R87-E91 WeakPolarHBondContact O-CG 3.42Å; R87-E91 PolarHBondContact O-N 3.13Å; R87-I109 HydrophobicContact CG-CG2 4.27Å; R87-E110 IonicContact CZ-OE1 3.09Å; R87-E110 IonicContact NE-OE1 3.6Å; R87-E110 VanDerWaalsContact NH2-CD 3.31Å; R87-E110 IonicContact NH2-OE1 3.58Å; R87-E110 PolarHBondContact NH2-OE1 3.23Å; R87-E110 IonicContact NH2-OE2 2.77Å; R87-E110 PolarHBondContact NH2-OE2 2.94Å; R87-E110 VanDerWaalsContact NH2-OE2 3.09Å; R87-M113 HydrophobicContact CB-CE 4.18Å; R87-M113 HydrophobicContact CB-CG 4.37Å; R87-M113 HydrophobicContact CB-SD 3.83Å
88	A	98.1	Very high	97.1	Very high	52 Å²	52	56.5 Å²	56.5	43%	0.43	29%	0.294	S	S	.	.	H	α-helix	trans	-61.5	-39.3	179.7	0	0	0	0	0	111.6	N85 K86 L92	N85-A88 HydrophobicContact CB-CB 4.36Å; N85-A88 PolarHBondContact O-N 2.87Å; N85-A88 VanDerWaalsContact O-N 3.11Å; K86-A88 PolarHBondContact O-N 3.04Å; A88-L92 WeakPolarHBondContact O-CB 3.29Å; A88-L92 PolarHBondContact O-N 3.32Å
89	N	98.3	Very high	96.9	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.011	32%	0.321	C	S	.	.	H	α-helix	trans	-63.9	-44	176.9	-61.4	-19.9	0	0	0	111.7	D60 C65 D82 N85 K86 R87 A93	D60-N89 WeakPolarHBondContact O-CB 3.26Å; D60-N89 PolarHBondContact O-ND2 2.99Å; C65-N89 PolarHBondContact SG-O 3.02Å; D82-N89 PolarHBondContact O-ND2 3.35Å; N85-N89 PolarHBondContact O-N 2.79Å; N85-N89 PolarHBondContact O-ND2 3.33Å; K86-N89 PolarHBondContact O-N 3.01Å; R87-N89 VanDerWaalsContact C-N 3.29Å; R87-N89 PolarHBondContact O-N 3.43Å; N89-A93 VanDerWaalsContact O-CB 3.31Å; N89-A93 WeakPolarHBondContact O-CB 3.35Å; N89-A93 PolarHBondContact O-N 3.27Å
90	F	98.2	Very high	96.6	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.2	-47.1	176.9	-69.1	-53.5	0	0	0	112.5	W58 G59 G61 F64 K86 R87 L92 A93 F94 I109 L112	W58-F90 WeakPolarHBondContact O-CE1 3.37Å; G59-F90 VanDerWaalsContact O-CZ 3.26Å; G59-F90 WeakPolarHBondContact O-CZ 3.43Å; G61-F90 VanDerWaalsContact CA-CE1 3.43Å; F64-F90 HydrophobicContact CD2-CD1 4.01Å; F64-F90 AromaticContact CD2-CE1 3.78Å; F64-F90 HydrophobicContact CD2-CE1 3.78Å; F64-F90 HydrophobicContact CE2-CD1 4.33Å; F64-F90 AromaticContact CE2-CE1 3.84Å; F64-F90 HydrophobicContact CE2-CE1 3.84Å; K86-F90 HydrophobicContact CB-CD2 4.43Å; K86-F90 HydrophobicContact CB-CE2 4.14Å; K86-F90 WeakPolarHBondContact O-CD2 3.42Å; K86-F90 WeakPolarHBondContact O-CG 3.19Å; K86-F90 PolarHBondContact O-N 3.35Å; R87-F90 PolarHBondContact O-N 2.98Å; F90-L92 VanDerWaalsContact C-N 3.35Å; F90-L92 PolarHBondContact O-N 2.98Å; F90-A93 PolarHBondContact O-N 3.48Å; F90-F94 HydrophobicContact CB-CD2 4.48Å; F90-F94 HydrophobicContact CB-CE2 4.2Å; F90-F94 HydrophobicContact CD1-CE2 4.41Å; F90-F94 HydrophobicContact CD1-CZ 4.11Å; F90-F94 WeakPolarHBondContact O-CB 3.29Å; F90-F94 WeakPolarHBondContact O-CD2 3.23Å; F90-F94 VanDerWaalsContact O-CG 3.23Å; F90-F94 WeakPolarHBondContact O-CG 3.43Å; F90-F94 PolarHBondContact O-N 2.99Å; F90-I109 HydrophobicContact CB-CD1 4.33Å; F90-I109 HydrophobicContact CB-CG1 4.26Å; F90-I109 HydrophobicContact CB-CG2 4.43Å; F90-L112 HydrophobicContact CD1-CD1 3.84Å; F90-L112 HydrophobicContact CD2-CB 4.18Å; F90-L112 HydrophobicContact CD2-CD1 4.14Å; F90-L112 HydrophobicContact CE1-CD1 3.87Å; F90-L112 HydrophobicContact CE2-CB 3.86Å; F90-L112 HydrophobicContact CE2-CD1 4.17Å; F90-L112 HydrophobicContact CG-CD1 3.99Å; F90-L112 HydrophobicContact CZ-CB 4.24Å; F90-L112 HydrophobicContact CZ-CD1 4.04Å; F90-L112 HydrophobicContact CZ-CD2 4.32Å; F90-L112 HydrophobicContact CZ-CG 4.46Å
91	E	98.2	Very high	96.3	Very high	91 Å²	91	56.2 Å²	56.2	43%	0.425	28%	0.275	S	S	.	.	H	α-helix	trans	-57.1	-49.6	177.5	-73.4	172.7	175.7	0	0	110.7	R87 F94 E95 I109	R87-E91 WeakPolarHBondContact CD-OE1 3.47Å; R87-E91 HydrophobicContact CG-CG 4.26Å; R87-E91 VanDerWaalsContact CG-OE1 3.24Å; R87-E91 WeakPolarHBondContact CG-OE1 3.48Å; R87-E91 WeakPolarHBondContact O-CB 3.31Å; R87-E91 WeakPolarHBondContact O-CG 3.42Å; R87-E91 PolarHBondContact O-N 3.13Å; E91-F94 PolarHBondContact O-N 2.93Å; E91-E95 WeakPolarHBondContact O-CB 3.31Å; E91-E95 PolarHBondContact O-N 3.4Å; E91-I109 HydrophobicContact CB-CD1 4.33Å; E91-I109 HydrophobicContact CG-CD1 3.55Å
92	L	98.3	Very high	96	Very high	36 Å²	36	57.5 Å²	57.5	19%	0.188	28%	0.282	C	S	.	.	H	α-helix	trans	-59.2	-52.2	177.9	179.4	65.1	0	0	0	111.5	F76 L81 A88 F90 F94 E95 K96	F76-L92 HydrophobicContact CB-CD1 4.23Å; F76-L92 HydrophobicContact CB-CD2 4.34Å; F76-L92 HydrophobicContact CD1-CD1 4.11Å; F76-L92 HydrophobicContact CD1-CD2 4.28Å; F76-L92 HydrophobicContact CD1-CG 4.2Å; F76-L92 HydrophobicContact CD2-CD2 3.68Å; F76-L92 HydrophobicContact CD2-CG 4.45Å; F76-L92 HydrophobicContact CE1-CG 4.38Å; F76-L92 HydrophobicContact CE2-CD2 3.96Å; F76-L92 HydrophobicContact CG-CD1 4.15Å; F76-L92 HydrophobicContact CG-CD2 3.84Å; F76-L92 HydrophobicContact CG-CG 4.23Å; F76-L92 HydrophobicContact CZ-CD2 4.37Å; L81-L92 HydrophobicContact CD1-CD2 4.25Å; L81-L92 HydrophobicContact CD2-CD2 3.71Å; A88-L92 WeakPolarHBondContact O-CB 3.29Å; A88-L92 PolarHBondContact O-N 3.32Å; F90-L92 VanDerWaalsContact C-N 3.35Å; F90-L92 PolarHBondContact O-N 2.98Å; L92-F94 PolarHBondContact O-N 3.37Å; L92-E95 PolarHBondContact O-N 3.12Å; L92-K96 HydrophobicContact CD1-CG 4.03Å; L92-K96 WeakPolarHBondContact O-CB 3.5Å; L92-K96 WeakPolarHBondContact O-CG 3.4Å; L92-K96 PolarHBondContact O-N 3.17Å
93	A	97.9	Very high	95.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.1	-44.8	-177	0	0	0	0	0	112.1	F64 N89 F90 A97	F64-A93 HydrophobicContact CB-CB 3.63Å; N89-A93 VanDerWaalsContact O-CB 3.31Å; N89-A93 WeakPolarHBondContact O-CB 3.35Å; N89-A93 PolarHBondContact O-N 3.27Å; F90-A93 PolarHBondContact O-N 3.48Å; A93-A97 VanDerWaalsContact O-CB 3.25Å; A93-A97 WeakPolarHBondContact O-CB 3.49Å; A93-A97 PolarHBondContact O-N 2.86Å
94	F	97.9	Very high	95.6	Very high	7 Å²	7	55.2 Å²	55.2	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-72.9	-40.4	-177.7	-62.6	-17.7	0	0	0	112.1	F64 F90 E91 L92 K96 A97 E98 P105 L107 I109 L112	F64-F94 HydrophobicContact CD1-CE1 4.22Å; F64-F94 HydrophobicContact CD2-CE1 4.33Å; F64-F94 HydrophobicContact CE1-CE1 4.38Å; F64-F94 HydrophobicContact CE2-CE1 4.49Å; F64-F94 HydrophobicContact CE2-CZ 4.46Å; F64-F94 HydrophobicContact CG-CE1 4.18Å; F90-F94 HydrophobicContact CB-CD2 4.48Å; F90-F94 HydrophobicContact CB-CE2 4.2Å; F90-F94 HydrophobicContact CD1-CE2 4.41Å; F90-F94 HydrophobicContact CD1-CZ 4.11Å; F90-F94 WeakPolarHBondContact O-CB 3.29Å; F90-F94 WeakPolarHBondContact O-CD2 3.23Å; F90-F94 VanDerWaalsContact O-CG 3.23Å; F90-F94 WeakPolarHBondContact O-CG 3.43Å; F90-F94 PolarHBondContact O-N 2.99Å; E91-F94 PolarHBondContact O-N 2.93Å; L92-F94 PolarHBondContact O-N 3.37Å; F94-K96 VanDerWaalsContact C-N 3.34Å; F94-K96 PolarHBondContact O-N 3.07Å; F94-A97 PolarHBondContact O-N 3.5Å; F94-E98 WeakPolarHBondContact O-CB 3.31Å; F94-E98 PolarHBondContact O-N 2.96Å; F94-P105 HydrophobicContact CB-CB 3.96Å; F94-P105 HydrophobicContact CB-CG 4.16Å; F94-P105 HydrophobicContact CD1-CB 4.22Å; F94-P105 HydrophobicContact CD2-CB 3.73Å; F94-P105 HydrophobicContact CD2-CG 4.44Å; F94-P105 HydrophobicContact CE2-CB 4.26Å; F94-P105 HydrophobicContact CG-CB 3.72Å; F94-P105 HydrophobicContact CG-CG 4.42Å; F94-L107 HydrophobicContact CE2-CB 4.27Å; F94-L107 HydrophobicContact CZ-CB 4.1Å; F94-L107 HydrophobicContact CZ-CD1 4.26Å; F94-I109 HydrophobicContact CD2-CD1 4.07Å; F94-I109 HydrophobicContact CD2-CG1 3.95Å; F94-I109 HydrophobicContact CE2-CG1 4.05Å; F94-L112 HydrophobicContact CE2-CD1 3.92Å; F94-L112 HydrophobicContact CZ-CD1 4.02Å
95	E	97.3	Very high	95.5	Very high	80 Å²	80	49.4 Å²	49.4	37%	0.374	25%	0.252	S	S	.	.	H	α-helix	trans	-58.4	-46.9	173.9	-174.6	-158.7	136.8	0	0	111	E91 L92 E98 K99	E91-E95 WeakPolarHBondContact O-CB 3.31Å; E91-E95 PolarHBondContact O-N 3.4Å; L92-E95 PolarHBondContact O-N 3.12Å; E95-E98 PolarHBondContact O-N 3.16Å; E95-K99 HydrophobicContact CG-CD 3.96Å; E95-K99 WeakPolarHBondContact O-CB 3.47Å; E95-K99 VanDerWaalsContact O-CG 3.31Å; E95-K99 WeakPolarHBondContact O-CG 3.49Å; E95-K99 PolarHBondContact O-N 3.07Å; E95-K99 WeakPolarHBondContact OE1-CE 3.39Å; E95-K99 IonicContact OE1-NZ 2.66Å; E95-K99 PolarHBondContact OE1-NZ 3.47Å
96	K	95.7	Very high	95.4	Very high	47 Å²	47	48.8 Å²	48.8	20%	0.204	25%	0.248	C	C	.	.	H	α-helix	trans	-69.9	-39.1	-179.5	-63.3	-60.7	-178.7	-173.5	0	112	I68 S75 F76 L92 F94 E98 K99 L100	I68-K96 HydrophobicContact CG2-CB 3.88Å; S75-K96 WeakPolarHBondContact O-CE 3.35Å; S75-K96 PolarHBondContact O-NZ 2.93Å; F76-K96 HydrophobicContact CD1-CD 4.46Å; F76-K96 HydrophobicContact CD1-CG 3.88Å; F76-K96 HydrophobicContact CE1-CB 4.41Å; F76-K96 HydrophobicContact CE1-CG 4.03Å; L92-K96 HydrophobicContact CD1-CG 4.03Å; L92-K96 WeakPolarHBondContact O-CB 3.5Å; L92-K96 WeakPolarHBondContact O-CG 3.4Å; L92-K96 PolarHBondContact O-N 3.17Å; F94-K96 VanDerWaalsContact C-N 3.34Å; F94-K96 PolarHBondContact O-N 3.07Å; K96-E98 VanDerWaalsContact C-N 3.32Å; K96-E98 PolarHBondContact O-N 3.18Å; K96-K99 PolarHBondContact O-N 2.98Å; K96-L100 HydrophobicContact CB-CD1 4.24Å; K96-L100 HydrophobicContact CD-CD1 4.5Å; K96-L100 VanDerWaalsContact O-CB 3.24Å; K96-L100 WeakPolarHBondContact O-CB 3.47Å; K96-L100 WeakPolarHBondContact O-CG 3.21Å; K96-L100 PolarHBondContact O-N 2.82Å
97	A	94.6	Very high	95.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.1	-41	175.9	0	0	0	0	0	112.3	I68 A93 F94 G101 N102 V103 Y130 F134	I68-A97 HydrophobicContact CD1-CB 3.65Å; I68-A97 HydrophobicContact CG1-CB 4.29Å; A93-A97 VanDerWaalsContact O-CB 3.25Å; A93-A97 WeakPolarHBondContact O-CB 3.49Å; A93-A97 PolarHBondContact O-N 2.86Å; F94-A97 PolarHBondContact O-N 3.5Å; A97-G101 CarbonylContact O-C 3.57Å; A97-G101 VanDerWaalsContact O-CA 3.26Å; A97-G101 WeakPolarHBondContact O-CA 3.4Å; A97-G101 PolarHBondContact O-N 2.8Å; A97-N102 PolarHBondContact O-N 3.04Å; A97-V103 PolarHBondContact O-N 2.71Å; A97-Y130 HydrophobicContact CB-CE1 3.65Å; A97-Y130 WeakPolarHBondContact CB-OH 3.29Å; A97-F134 HydrophobicContact CB-CZ 4.27Å
98	E	94.7	Very high	95.2	Very high	89 Å²	89	46.8 Å²	46.8	42%	0.416	25%	0.247	S	C	.	.	H	α-helix	trans	-70	-48.9	176.7	-173.6	162	-126.6	0	0	111.4	F94 E95 K96 L100 N102 V103 S104	F94-E98 WeakPolarHBondContact O-CB 3.31Å; F94-E98 PolarHBondContact O-N 2.96Å; E95-E98 PolarHBondContact O-N 3.16Å; K96-E98 VanDerWaalsContact C-N 3.32Å; K96-E98 PolarHBondContact O-N 3.18Å; E98-L100 PolarHBondContact O-N 2.86Å; E98-N102 WeakPolarHBondContact O-CA 3.1Å; E98-N102 PolarHBondContact O-N 2.87Å; E98-V103 WeakPolarHBondContact CA-O 3.4Å; E98-V103 PolarHBondContact N-O 3.35Å; E98-S104 PolarHBondContact OE1-OG 2.77Å
99	K	93.7	Very high	95.1	Very high	147 Å²	147	46 Å²	46	64%	0.639	24%	0.235	S	C	*	.	H	α-helix	trans	-66.6	-39.4	-177.8	-72.7	-179.7	-177.9	177.6	0	114	E95 K96	E95-K99 HydrophobicContact CG-CD 3.96Å; E95-K99 WeakPolarHBondContact O-CB 3.47Å; E95-K99 VanDerWaalsContact O-CG 3.31Å; E95-K99 WeakPolarHBondContact O-CG 3.49Å; E95-K99 PolarHBondContact O-N 3.07Å; E95-K99 WeakPolarHBondContact OE1-CE 3.39Å; E95-K99 IonicContact OE1-NZ 2.66Å; E95-K99 PolarHBondContact OE1-NZ 3.47Å; K96-K99 PolarHBondContact O-N 2.98Å
100	L	91	Very high	95	Very high	64 Å²	64	49.9 Å²	49.9	34%	0.335	25%	0.253	S	S	.	.	H	α-helix	trans	-96.3	-31.3	-172.9	-56.9	173.3	0	0	0	112.6	Y72 K96 E98	Y72-L100 HydrophobicContact CD1-CB 4.22Å; Y72-L100 HydrophobicContact CD1-CD1 4.08Å; Y72-L100 HydrophobicContact CD2-CB 4.11Å; Y72-L100 HydrophobicContact CD2-CD1 3.91Å; Y72-L100 HydrophobicContact CE1-CB 3.97Å; Y72-L100 HydrophobicContact CE2-CB 3.87Å; Y72-L100 HydrophobicContact CG-CB 4.27Å; Y72-L100 HydrophobicContact CG-CD1 3.65Å; Y72-L100 PolarHBondContact OH-O 2.85Å; K96-L100 HydrophobicContact CB-CD1 4.24Å; K96-L100 HydrophobicContact CD-CD1 4.5Å; K96-L100 VanDerWaalsContact O-CB 3.24Å; K96-L100 WeakPolarHBondContact O-CB 3.47Å; K96-L100 WeakPolarHBondContact O-CG 3.21Å; K96-L100 PolarHBondContact O-N 2.82Å; E98-L100 PolarHBondContact O-N 2.86Å
101	G	89	Confident	94.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-107.7	-16.5	-177.8	0	0	0	0	0	115.3	A97 V103 R133	A97-G101 CarbonylContact O-C 3.57Å; A97-G101 VanDerWaalsContact O-CA 3.26Å; A97-G101 WeakPolarHBondContact O-CA 3.4Å; A97-G101 PolarHBondContact O-N 2.8Å; G101-V103 VanDerWaalsContact C-N 3.29Å; G101-R133 WeakPolarHBondContact O-CG 3.47Å; G101-R133 PolarHBondContact O-NE 2.95Å
102	N	90.5	Very high	94.8	Very high	66 Å²	66	49.8 Å²	49.8	35%	0.353	26%	0.255	S	S	.	.			trans	52.5	48.8	-161.7	-169.5	34.5	0	0	0	111.7	A97 E98 A142	A97-N102 PolarHBondContact O-N 3.04Å; E98-N102 WeakPolarHBondContact O-CA 3.1Å; E98-N102 PolarHBondContact O-N 2.87Å; N102-A142 HydrophobicContact CB-CB 4.34Å; N102-A142 WeakPolarHBondContact CB-O 3.34Å; N102-A142 VanDerWaalsContact CG-O 3.22Å; N102-A142 PolarHBondContact ND2-O 2.89Å
103	V	93.1	Very high	94.7	Very high	9 Å²	9	50.9 Å²	50.9	6%	0.055	26%	0.26	C	S	.	.			trans	-113.3	106.6	170.6	-171.3	0	0	0	0	109.4	A97 E98 G101 L129 Y130 R133 F134	A97-V103 PolarHBondContact O-N 2.71Å; E98-V103 WeakPolarHBondContact CA-O 3.4Å; E98-V103 PolarHBondContact N-O 3.35Å; G101-V103 VanDerWaalsContact C-N 3.29Å; V103-L129 HydrophobicContact CG1-CB 3.75Å; V103-L129 HydrophobicContact CG1-CD1 4.23Å; V103-Y130 HydrophobicContact CB-CD1 4.05Å; V103-Y130 HydrophobicContact CB-CE1 3.9Å; V103-Y130 HydrophobicContact CG1-CD1 3.69Å; V103-Y130 HydrophobicContact CG1-CE1 3.6Å; V103-Y130 HydrophobicContact CG2-CD1 4.18Å; V103-Y130 HydrophobicContact CG2-CE1 4.49Å; V103-R133 HydrophobicContact CG2-CB 3.61Å; V103-R133 HydrophobicContact CG2-CG 3.62Å; V103-F134 HydrophobicContact CG2-CZ 4.27Å
104	S	93.5	Very high	94.5	Very high	62 Å²	62	60.2 Å²	60.2	43%	0.434	30%	0.295	S	S	.	.			trans	-69.8	144.7	174.3	-56.9	0	0	0	0	111.4	E98 Q126	E98-S104 PolarHBondContact OE1-OG 2.77Å; S104-Q126 PolarHBondContact O-NE2 3.29Å
105	P	94.1	Very high	94.3	Very high	52 Å²	52	63.2 Å²	63.2	34%	0.338	31%	0.31	S	S	.	.			trans	-71	131.4	176.6	28.5	-33.7	0	0	0	111.2	F94	F94-P105 HydrophobicContact CB-CB 3.96Å; F94-P105 HydrophobicContact CB-CG 4.16Å; F94-P105 HydrophobicContact CD1-CB 4.22Å; F94-P105 HydrophobicContact CD2-CB 3.73Å; F94-P105 HydrophobicContact CD2-CG 4.44Å; F94-P105 HydrophobicContact CE2-CB 4.26Å; F94-P105 HydrophobicContact CG-CB 3.72Å; F94-P105 HydrophobicContact CG-CG 4.42Å
106	L	94.2	Very high	94	Very high	77 Å²	77	69 Å²	69	40%	0.403	33%	0.334	S	S	.	.	S	Bend	trans	-86.7	-15.6	169.4	-62.5	-179.3	0	0	0	112.5	T125 L129	L106-T125 HydrophobicContact CD1-CG2 3.51Å; L106-L129 HydrophobicContact CD1-CD1 3.75Å; L106-L129 HydrophobicContact CD2-CD1 4.44Å; L106-L129 HydrophobicContact CG-CD1 4Å
107	L	95.2	Very high	93.9	Very high	16 Å²	16	70.2 Å²	70.2	8%	0.084	35%	0.345	C	S	.	.	S	Bend	trans	-100	129.4	-179	-59.1	102.5	0	0	0	109.7	F64 F94 L112 P118 C122 V123 Q126	F64-L107 HydrophobicContact CZ-CD1 4.23Å; F94-L107 HydrophobicContact CE2-CB 4.27Å; F94-L107 HydrophobicContact CZ-CB 4.1Å; F94-L107 HydrophobicContact CZ-CD1 4.26Å; L107-L112 HydrophobicContact CB-CD1 3.78Å; L107-L112 HydrophobicContact CB-CG 4.28Å; L107-L112 HydrophobicContact CD2-CD1 4.37Å; L107-L112 HydrophobicContact CD2-CD2 3.89Å; L107-L112 HydrophobicContact CD2-CG 4.48Å; L107-P118 HydrophobicContact CD2-CB 4.41Å; L107-C122 HydrophobicContact CD2-CB 4.29Å; L107-C122 HydrophobicContact CG-CB 4.3Å; L107-V123 HydrophobicContact CD2-CG2 3.69Å; L107-Q126 HydrophobicContact CD1-CB 3.73Å; L107-Q126 HydrophobicContact CD1-CG 3.86Å
108	D	95.5	Very high	93.9	Very high	86 Å²	86	70.6 Å²	70.6	46%	0.46	35%	0.348	S	S	.	.			trans	-80.1	132.3	172.4	-176	-80.5	0	0	0	110.6	E110 D111 L112	D108-E110 WeakPolarHBondContact OD1-CA 3.43Å; D108-E110 VanDerWaalsContact OD1-CB 3.29Å; D108-E110 WeakPolarHBondContact OD1-CB 3.18Å; D108-E110 PolarHBondContact OD1-N 3.19Å; D108-D111 HydrophobicContact CB-CB 4.16Å; D108-D111 PolarHBondContact O-N 3.39Å; D108-D111 PolarHBondContact OD1-N 2.88Å; D108-L112 VanDerWaalsContact O-CG 3.29Å; D108-L112 WeakPolarHBondContact O-CG 3.32Å; D108-L112 PolarHBondContact O-N 3.08Å
109	I	96.1	Very high	93.9	Very high	35 Å²	35	69.9 Å²	69.9	18%	0.179	35%	0.347	C	S	.	.	H	α-helix	trans	-69.4	-38.3	-175.9	-61.3	-178.7	0	0	0	111	R87 F90 E91 F94 D111 L112 M113	R87-I109 HydrophobicContact CG-CG2 4.27Å; F90-I109 HydrophobicContact CB-CD1 4.33Å; F90-I109 HydrophobicContact CB-CG1 4.26Å; F90-I109 HydrophobicContact CB-CG2 4.43Å; E91-I109 HydrophobicContact CB-CD1 4.33Å; E91-I109 HydrophobicContact CG-CD1 3.55Å; F94-I109 HydrophobicContact CD2-CD1 4.07Å; F94-I109 HydrophobicContact CD2-CG1 3.95Å; F94-I109 HydrophobicContact CE2-CG1 4.05Å; I109-D111 VanDerWaalsContact C-N 3.29Å; I109-D111 PolarHBondContact O-N 3.11Å; I109-L112 PolarHBondContact O-N 2.77Å; I109-M113 HydrophobicContact CG2-CG 4.3Å; I109-M113 WeakPolarHBondContact O-CB 3.48Å; I109-M113 VanDerWaalsContact O-CG 3.24Å; I109-M113 WeakPolarHBondContact O-CG 3.42Å; I109-M113 PolarHBondContact O-N 3.26Å
110	E	96.8	Very high	94	Very high	84 Å²	84	68.3 Å²	68.3	39%	0.393	34%	0.337	S	S	.	.	H	α-helix	trans	-65.7	-36.9	178.8	-66.4	-57.2	132	0	0	111.2	R87 D108 M113 R114	R87-E110 IonicContact CZ-OE1 3.09Å; R87-E110 IonicContact NE-OE1 3.6Å; R87-E110 VanDerWaalsContact NH2-CD 3.31Å; R87-E110 IonicContact NH2-OE1 3.58Å; R87-E110 PolarHBondContact NH2-OE1 3.23Å; R87-E110 IonicContact NH2-OE2 2.77Å; R87-E110 PolarHBondContact NH2-OE2 2.94Å; R87-E110 VanDerWaalsContact NH2-OE2 3.09Å; D108-E110 WeakPolarHBondContact OD1-CA 3.43Å; D108-E110 VanDerWaalsContact OD1-CB 3.29Å; D108-E110 WeakPolarHBondContact OD1-CB 3.18Å; D108-E110 PolarHBondContact OD1-N 3.19Å; E110-M113 PolarHBondContact O-N 3.09Å; E110-R114 VanDerWaalsContact O-CG 3.29Å; E110-R114 WeakPolarHBondContact O-CG 3.39Å; E110-R114 PolarHBondContact O-N 2.91Å; E110-R114 VanDerWaalsContact O-N 3.16Å
111	D	95.8	Very high	94.2	Very high	84 Å²	84	71.1 Å²	71.1	45%	0.449	35%	0.346	S	S	.	.	H	α-helix	trans	-65.3	-45.5	171.7	-73.4	-20.4	0	0	0	111.5	D108 I109 M113 R114 M115	D108-D111 HydrophobicContact CB-CB 4.16Å; D108-D111 PolarHBondContact O-N 3.39Å; D108-D111 PolarHBondContact OD1-N 2.88Å; I109-D111 VanDerWaalsContact C-N 3.29Å; I109-D111 PolarHBondContact O-N 3.11Å; D111-M113 PolarHBondContact O-N 3.05Å; D111-R114 PolarHBondContact O-N 2.97Å; D111-R114 VanDerWaalsContact O-N 3.11Å; D111-M115 HydrophobicContact CB-CE 4Å; D111-M115 WeakPolarHBondContact O-CB 3.24Å; D111-M115 WeakPolarHBondContact O-CE 3.35Å; D111-M115 VanDerWaalsContact O-CG 3.26Å; D111-M115 WeakPolarHBondContact O-CG 3.28Å; D111-M115 PolarHBondContact O-N 3.38Å
112	L	96	Very high	94.5	Very high	5 Å²	5	73.5 Å²	73.5	3%	0.026	36%	0.363	C	S	.	.	H	α-helix	trans	-60.9	-29.6	176.5	-73.1	172.4	0	0	0	113.7	K86 F90 F94 L107 D108 I109 M115 P118	K86-L112 PolarHBondContact NZ-O 3.46Å; F90-L112 HydrophobicContact CD1-CD1 3.84Å; F90-L112 HydrophobicContact CD2-CB 4.18Å; F90-L112 HydrophobicContact CD2-CD1 4.14Å; F90-L112 HydrophobicContact CE1-CD1 3.87Å; F90-L112 HydrophobicContact CE2-CB 3.86Å; F90-L112 HydrophobicContact CE2-CD1 4.17Å; F90-L112 HydrophobicContact CG-CD1 3.99Å; F90-L112 HydrophobicContact CZ-CB 4.24Å; F90-L112 HydrophobicContact CZ-CD1 4.04Å; F90-L112 HydrophobicContact CZ-CD2 4.32Å; F90-L112 HydrophobicContact CZ-CG 4.46Å; F94-L112 HydrophobicContact CE2-CD1 3.92Å; F94-L112 HydrophobicContact CZ-CD1 4.02Å; L107-L112 HydrophobicContact CB-CD1 3.78Å; L107-L112 HydrophobicContact CB-CG 4.28Å; L107-L112 HydrophobicContact CD2-CD1 4.37Å; L107-L112 HydrophobicContact CD2-CD2 3.89Å; L107-L112 HydrophobicContact CD2-CG 4.48Å; D108-L112 VanDerWaalsContact O-CG 3.29Å; D108-L112 WeakPolarHBondContact O-CG 3.32Å; D108-L112 PolarHBondContact O-N 3.08Å; I109-L112 PolarHBondContact O-N 2.77Å; L112-M115 HydrophobicContact CD2-CE 4.25Å; L112-P118 HydrophobicContact CD2-CB 3.58Å
113	M	95.9	Very high	94.8	Very high	59 Å²	59	70.4 Å²	70.4	29%	0.291	35%	0.346	S	S	.	.	H	α-helix	trans	-77	-31.4	176.4	-70.4	-52.9	-61.7	0	0	112.6	K86 R87 I109 E110 D111	K86-M113 HydrophobicContact CB-CE 4.16Å; K86-M113 HydrophobicContact CB-SD 3.69Å; R87-M113 HydrophobicContact CB-CE 4.18Å; R87-M113 HydrophobicContact CB-CG 4.37Å; R87-M113 HydrophobicContact CB-SD 3.83Å; I109-M113 HydrophobicContact CG2-CG 4.3Å; I109-M113 WeakPolarHBondContact O-CB 3.48Å; I109-M113 VanDerWaalsContact O-CG 3.24Å; I109-M113 WeakPolarHBondContact O-CG 3.42Å; I109-M113 PolarHBondContact O-N 3.26Å; E110-M113 PolarHBondContact O-N 3.09Å; D111-M113 PolarHBondContact O-N 3.05Å
114	R	95	Very high	95	Very high	196 Å²	196	71.3 Å²	71.3	74%	0.74	35%	0.349	S	S	*	.	H	α-helix	trans	-81.4	-30.9	176.7	-68	168.9	-174.3	-169.2	2	112.7	E110 D111	E110-R114 VanDerWaalsContact O-CG 3.29Å; E110-R114 WeakPolarHBondContact O-CG 3.39Å; E110-R114 PolarHBondContact O-N 2.91Å; E110-R114 VanDerWaalsContact O-N 3.16Å; D111-R114 PolarHBondContact O-N 2.97Å; D111-R114 VanDerWaalsContact O-N 3.11Å
115	M	93.3	Very high	95.1	Very high	70 Å²	70	70.4 Å²	70.4	35%	0.345	34%	0.341	S	S	.	.			trans	-82.4	140.6	-178.2	-68.3	-173.8	-65.1	0	0	112.2	D111 L112	D111-M115 HydrophobicContact CB-CE 4Å; D111-M115 WeakPolarHBondContact O-CB 3.24Å; D111-M115 WeakPolarHBondContact O-CE 3.35Å; D111-M115 VanDerWaalsContact O-CG 3.26Å; D111-M115 WeakPolarHBondContact O-CG 3.28Å; D111-M115 PolarHBondContact O-N 3.38Å; L112-M115 HydrophobicContact CD2-CE 4.25Å
116	K	90.4	Very high	95.2	Very high	202 Å²	202	67.9 Å²	67.9	88%	0.878	33%	0.325	S	S	*	.	S	Bend	trans	-70.5	-36.8	170.4	-172.9	178.4	-179.5	179.2	0	111.8
117	V	93.1	Very high	95.3	Very high	71 Å²	71	64.2 Å²	64.2	43%	0.43	31%	0.306	S	S	.	.	S	Bend	trans	-139.7	131.2	-177.6	178	0	0	0	0	107.8
118	P	94.5	Very high	95.3	Very high	9 Å²	9	66 Å²	66	6%	0.058	31%	0.313	C	S	.	.			trans	-67.7	155.6	177.8	28.6	-35.8	0	0	0	112.4	G55 W58 L107 L112 W120 V123	G55-P118 WeakPolarHBondContact O-CD 3.49Å; G55-P118 WeakPolarHBondContact O-CG 3.06Å; W58-P118 HydrophobicContact CB-CG 4.41Å; L107-P118 HydrophobicContact CD2-CB 4.41Å; L112-P118 HydrophobicContact CD2-CB 3.58Å; P118-W120 PolarHBondContact O-N 3.21Å; P118-W120 VanDerWaalsContact O-N 3.17Å; P118-V123 HydrophobicContact CB-CG2 3.75Å; P118-V123 HydrophobicContact CG-CG2 3.88Å
119	D	95.2	Very high	95.2	Very high	73 Å²	73	63 Å²	63	39%	0.39	30%	0.297	S	S	.	.			trans	-64.1	117.1	171	-176.7	-11.9	0	0	0	109.9	K121 C122 V123	D119-K121 PolarHBondContact O-N 3.5Å; D119-K121 WeakPolarHBondContact OD1-CB 3.49Å; D119-K121 PolarHBondContact OD1-N 3.3Å; D119-C122 HydrophobicContact CB-CB 4.36Å; D119-C122 PolarHBondContact O-N 3.17Å; D119-C122 VanDerWaalsContact O-N 3.16Å; D119-V123 WeakPolarHBondContact O-CG2 3.5Å; D119-V123 PolarHBondContact O-N 3.11Å; D119-V123 VanDerWaalsContact O-N 3.07Å
120	W	95	Very high	95.1	Very high	114 Å²	114	61.3 Å²	61.3	43%	0.432	29%	0.289	S	S	.	.	H	α-helix	trans	-62.4	-24.9	-177.1	74.1	-90.1	0	0	0	114.1	K32 F54 P118 F124	K32-W120 HydrophobicContact CD-CZ3 4.2Å; F54-W120 HydrophobicContact CB-CB 4.13Å; F54-W120 WeakPolarHBondContact O-CA 3.41Å; P118-W120 PolarHBondContact O-N 3.21Å; P118-W120 VanDerWaalsContact O-N 3.17Å; W120-F124 WeakPolarHBondContact O-CB 3.26Å; W120-F124 PolarHBondContact O-N 2.8Å
121	K	95.3	Very high	94.9	Very high	123 Å²	123	60.7 Å²	60.7	54%	0.535	28%	0.283	S	S	.	.	H	α-helix	trans	-70.9	-46.3	175.9	-67.5	177.3	-176.8	164.7	0	110.6	D119 F124 T125	D119-K121 PolarHBondContact O-N 3.5Å; D119-K121 WeakPolarHBondContact OD1-CB 3.49Å; D119-K121 PolarHBondContact OD1-N 3.3Å; K121-F124 PolarHBondContact O-N 3.07Å; K121-T125 PolarHBondContact O-N 3.37Å; K121-T125 PolarHBondContact O-OG1 3.4Å; K121-T125 VanDerWaalsContact O-OG1 3.08Å
122	C	95.7	Very high	94.6	Very high	51 Å²	51	59 Å²	59	35%	0.345	27%	0.271	S	S	.	.	H	α-helix	trans	-63.5	-45.3	178.7	-65.4	0	0	0	0	111.1	L107 D119 T125 Q126	L107-C122 HydrophobicContact CD2-CB 4.29Å; L107-C122 HydrophobicContact CG-CB 4.3Å; D119-C122 HydrophobicContact CB-CB 4.36Å; D119-C122 PolarHBondContact O-N 3.17Å; D119-C122 VanDerWaalsContact O-N 3.16Å; C122-T125 PolarHBondContact O-N 3.28Å; C122-Q126 PolarHBondContact O-N 2.91Å
123	V	97.3	Very high	94.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.2	-50.5	173.5	175.8	0	0	0	0	110.4	F54 W58 F64 L107 P118 D119 T125 Q126 I127	F54-V123 HydrophobicContact CB-CB 4.37Å; F54-V123 HydrophobicContact CB-CG1 4.12Å; F54-V123 HydrophobicContact CD1-CG1 4.21Å; F54-V123 WeakPolarHBondContact O-CB 3.4Å; F54-V123 VanDerWaalsContact O-CG1 3.29Å; F54-V123 WeakPolarHBondContact O-CG1 3.29Å; F54-V123 WeakPolarHBondContact O-CG2 3.24Å; W58-V123 HydrophobicContact CB-CG1 4.14Å; W58-V123 HydrophobicContact CD2-CG1 3.82Å; W58-V123 HydrophobicContact CE3-CG1 4.47Å; W58-V123 HydrophobicContact CG-CG1 3.63Å; F64-V123 HydrophobicContact CZ-CG1 4.07Å; F64-V123 HydrophobicContact CZ-CG2 4.29Å; L107-V123 HydrophobicContact CD2-CG2 3.69Å; P118-V123 HydrophobicContact CB-CG2 3.75Å; P118-V123 HydrophobicContact CG-CG2 3.88Å; D119-V123 WeakPolarHBondContact O-CG2 3.5Å; D119-V123 PolarHBondContact O-N 3.11Å; D119-V123 VanDerWaalsContact O-N 3.07Å; V123-T125 VanDerWaalsContact C-N 3.31Å; V123-T125 PolarHBondContact O-N 3.48Å; V123-Q126 WeakPolarHBondContact O-CB 3.39Å; V123-Q126 PolarHBondContact O-N 3.25Å; V123-Q126 VanDerWaalsContact O-N 3.07Å; V123-I127 HydrophobicContact CG1-CG1 4.26Å; V123-I127 VanDerWaalsContact O-CG1 3.31Å; V123-I127 WeakPolarHBondContact O-CG1 3.46Å; V123-I127 PolarHBondContact O-N 3.43Å
124	F	96.4	Very high	94	Very high	29 Å²	29	56.6 Å²	56.6	13%	0.127	26%	0.258	C	S	.	.	H	α-helix	trans	-56.3	-45.3	-180	179	-111.3	0	0	0	112.2	K32 M35 F54 W120 K121 I127 Q128	K32-F124 HydrophobicContact CB-CE2 4.2Å; K32-F124 HydrophobicContact CB-CZ 4.4Å; K32-F124 HydrophobicContact CG-CD2 4.42Å; K32-F124 HydrophobicContact CG-CE2 4.26Å; M35-F124 HydrophobicContact CB-CD2 4.5Å; M35-F124 HydrophobicContact CB-CE2 3.76Å; M35-F124 HydrophobicContact CG-CE2 3.73Å; M35-F124 HydrophobicContact CG-CZ 4.19Å; F54-F124 HydrophobicContact CB-CB 4.32Å; F54-F124 HydrophobicContact CD1-CB 4.43Å; F54-F124 HydrophobicContact CD1-CD2 4.23Å; F54-F124 HydrophobicContact CD2-CB 4.44Å; F54-F124 AromaticContact CD2-CD2 3.83Å; F54-F124 HydrophobicContact CD2-CD2 3.83Å; F54-F124 HydrophobicContact CE1-CD2 4.04Å; F54-F124 AromaticContact CE2-CD2 3.6Å; F54-F124 HydrophobicContact CE2-CD2 3.6Å; F54-F124 HydrophobicContact CE2-CE2 4.05Å; F54-F124 HydrophobicContact CG-CB 4.14Å; F54-F124 HydrophobicContact CG-CD2 4.13Å; F54-F124 AromaticContact CZ-CD2 3.71Å; F54-F124 HydrophobicContact CZ-CD2 3.71Å; F54-F124 HydrophobicContact CZ-CE2 4.11Å; W120-F124 WeakPolarHBondContact O-CB 3.26Å; W120-F124 PolarHBondContact O-N 2.8Å; K121-F124 PolarHBondContact O-N 3.07Å; F124-I127 PolarHBondContact O-N 2.92Å; F124-Q128 HydrophobicContact CE1-CG 4.25Å; F124-Q128 HydrophobicContact CE2-CG 4.46Å; F124-Q128 HydrophobicContact CZ-CG 4.18Å; F124-Q128 WeakPolarHBondContact O-CG 3.4Å; F124-Q128 PolarHBondContact O-N 3.47Å
125	T	95.5	Very high	93.6	Very high	42 Å²	42	51.4 Å²	51.4	26%	0.258	24%	0.242	S	C	.	.	H	α-helix	trans	-63.3	-41	175.8	-57.3	0	0	0	0	112	L106 K121 C122 V123 I127 Q128 L129	L106-T125 HydrophobicContact CD1-CG2 3.51Å; K121-T125 PolarHBondContact O-N 3.37Å; K121-T125 PolarHBondContact O-OG1 3.4Å; K121-T125 VanDerWaalsContact O-OG1 3.08Å; C122-T125 PolarHBondContact O-N 3.28Å; V123-T125 VanDerWaalsContact C-N 3.31Å; V123-T125 PolarHBondContact O-N 3.48Å; T125-I127 VanDerWaalsContact C-N 3.3Å; T125-I127 PolarHBondContact O-N 3.35Å; T125-Q128 WeakPolarHBondContact O-CB 3.41Å; T125-Q128 PolarHBondContact O-N 3.16Å; T125-Q128 VanDerWaalsContact O-N 3.17Å; T125-L129 PolarHBondContact O-N 3.42Å; T125-L129 VanDerWaalsContact O-N 3.07Å
126	Q	97	Very high	93.2	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58.3	-43.6	174.2	-170.2	65.7	53.2	0	0	111.7	F64 S104 L107 C122 V123 Q128 L129 Y130	F64-Q126 HydrophobicContact CE1-CG 4.19Å; S104-Q126 PolarHBondContact O-NE2 3.29Å; L107-Q126 HydrophobicContact CD1-CB 3.73Å; L107-Q126 HydrophobicContact CD1-CG 3.86Å; C122-Q126 PolarHBondContact O-N 2.91Å; V123-Q126 WeakPolarHBondContact O-CB 3.39Å; V123-Q126 PolarHBondContact O-N 3.25Å; V123-Q126 VanDerWaalsContact O-N 3.07Å; Q126-Q128 VanDerWaalsContact C-N 3.32Å; Q126-Q128 PolarHBondContact O-N 3.21Å; Q126-L129 WeakPolarHBondContact O-CB 3.26Å; Q126-L129 PolarHBondContact O-N 3.22Å; Q126-Y130 HydrophobicContact CG-CE1 4.22Å; Q126-Y130 HydrophobicContact CG-CE2 4.23Å; Q126-Y130 PolarHBondContact O-N 3.11Å
127	I	96.3	Very high	92.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.6	-37.2	177.4	-60.8	-38.9	0	0	0	111.3	M35 W38 C39 F54 W58 F64 L67 V123 F124 T125 L129 Y130 Y131	M35-I127 HydrophobicContact CE-CB 4.38Å; M35-I127 HydrophobicContact CE-CG2 3.52Å; W38-I127 HydrophobicContact CE3-CG2 4.06Å; W38-I127 HydrophobicContact CZ3-CG2 3.64Å; C39-I127 WeakPolarHBondContact SG-CG2 3.46Å; F54-I127 HydrophobicContact CD1-CG1 4.14Å; F54-I127 HydrophobicContact CE1-CB 4.28Å; F54-I127 HydrophobicContact CE1-CG1 4.06Å; F54-I127 HydrophobicContact CE1-CG2 4.16Å; W58-I127 HydrophobicContact CE3-CD1 4.07Å; W58-I127 HydrophobicContact CH2-CD1 3.23Å; W58-I127 HydrophobicContact CH2-CG1 3.82Å; W58-I127 HydrophobicContact CZ2-CD1 3.82Å; W58-I127 HydrophobicContact CZ2-CG1 3.87Å; W58-I127 HydrophobicContact CZ3-CD1 3.38Å; W58-I127 HydrophobicContact CZ3-CG1 4.32Å; F64-I127 HydrophobicContact CD1-CD1 4.27Å; F64-I127 HydrophobicContact CE1-CD1 3.9Å; L67-I127 HydrophobicContact CD1-CD1 4.15Å; V123-I127 HydrophobicContact CG1-CG1 4.26Å; V123-I127 VanDerWaalsContact O-CG1 3.31Å; V123-I127 WeakPolarHBondContact O-CG1 3.46Å; V123-I127 PolarHBondContact O-N 3.43Å; F124-I127 PolarHBondContact O-N 2.92Å; T125-I127 VanDerWaalsContact C-N 3.3Å; T125-I127 PolarHBondContact O-N 3.35Å; I127-L129 VanDerWaalsContact C-N 3.31Å; I127-L129 PolarHBondContact O-N 2.9Å; I127-Y130 HydrophobicContact CD1-CD2 4.14Å; I127-Y130 PolarHBondContact O-N 3.01Å; I127-Y131 WeakPolarHBondContact O-CB 3.33Å; I127-Y131 PolarHBondContact O-N 3.1Å
128	Q	94.6	Very high	91.8	Very high	53 Å²	53	47.8 Å²	47.8	25%	0.248	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-37.6	174.1	-67.8	179.8	-70.4	0	0	112.3	M35 F124 T125 Q126 R132	M35-Q128 HydrophobicContact CE-CG 4.15Å; F124-Q128 HydrophobicContact CE1-CG 4.25Å; F124-Q128 HydrophobicContact CE2-CG 4.46Å; F124-Q128 HydrophobicContact CZ-CG 4.18Å; F124-Q128 WeakPolarHBondContact O-CG 3.4Å; F124-Q128 PolarHBondContact O-N 3.47Å; T125-Q128 WeakPolarHBondContact O-CB 3.41Å; T125-Q128 PolarHBondContact O-N 3.16Å; T125-Q128 VanDerWaalsContact O-N 3.17Å; Q126-Q128 VanDerWaalsContact C-N 3.32Å; Q126-Q128 PolarHBondContact O-N 3.21Å; Q128-R132 PolarHBondContact O-N 3.15Å; Q128-R132 VanDerWaalsContact O-N 3.09Å
129	L	94	Very high	90.1	Very high	22 Å²	22	48.2 Å²	48.2	12%	0.115	23%	0.231	C	C	.	.	H	α-helix	trans	-64.2	-44.9	173.8	-64.5	178	0	0	0	111.2	V103 L106 T125 Q126 I127 R132 R133 P146	V103-L129 HydrophobicContact CG1-CB 3.75Å; V103-L129 HydrophobicContact CG1-CD1 4.23Å; L106-L129 HydrophobicContact CD1-CD1 3.75Å; L106-L129 HydrophobicContact CD2-CD1 4.44Å; L106-L129 HydrophobicContact CG-CD1 4Å; T125-L129 PolarHBondContact O-N 3.42Å; T125-L129 VanDerWaalsContact O-N 3.07Å; Q126-L129 WeakPolarHBondContact O-CB 3.26Å; Q126-L129 PolarHBondContact O-N 3.22Å; I127-L129 VanDerWaalsContact C-N 3.31Å; I127-L129 PolarHBondContact O-N 2.9Å; L129-R132 PolarHBondContact O-N 2.87Å; L129-R133 WeakPolarHBondContact O-CB 3.43Å; L129-R133 PolarHBondContact O-N 3.44Å; L129-P146 HydrophobicContact CD2-CB 4.39Å; L129-P146 HydrophobicContact CD2-CG 4.38Å
130	Y	94.7	Very high	88.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-44.5	175.6	-71.1	-4.9	0	0	0	112.7	F64 L67 I68 A97 V103 Q126 I127 R132 R133 F134	F64-Y130 AromaticContact CD1-CE2 3.97Å; F64-Y130 HydrophobicContact CD1-CE2 3.97Å; L67-Y130 HydrophobicContact CD1-CD2 4.27Å; L67-Y130 HydrophobicContact CD2-CD2 3.66Å; L67-Y130 HydrophobicContact CD2-CE2 4.49Å; L67-Y130 HydrophobicContact CD2-CG 4.17Å; I68-Y130 HydrophobicContact CD1-CD2 4.36Å; I68-Y130 HydrophobicContact CD1-CE1 4.47Å; I68-Y130 HydrophobicContact CD1-CE2 4Å; A97-Y130 HydrophobicContact CB-CE1 3.65Å; A97-Y130 WeakPolarHBondContact CB-OH 3.29Å; V103-Y130 HydrophobicContact CB-CD1 4.05Å; V103-Y130 HydrophobicContact CB-CE1 3.9Å; V103-Y130 HydrophobicContact CG1-CD1 3.69Å; V103-Y130 HydrophobicContact CG1-CE1 3.6Å; V103-Y130 HydrophobicContact CG2-CD1 4.18Å; V103-Y130 HydrophobicContact CG2-CE1 4.49Å; Q126-Y130 HydrophobicContact CG-CE1 4.22Å; Q126-Y130 HydrophobicContact CG-CE2 4.23Å; Q126-Y130 PolarHBondContact O-N 3.11Å; I127-Y130 HydrophobicContact CD1-CD2 4.14Å; I127-Y130 PolarHBondContact O-N 3.01Å; Y130-R132 PolarHBondContact O-N 2.77Å; Y130-R133 PolarHBondContact O-N 2.89Å; Y130-F134 HydrophobicContact CD1-CD2 4.32Å; Y130-F134 AromaticContact CD1-CE2 3.51Å; Y130-F134 HydrophobicContact CD1-CE2 3.51Å; Y130-F134 HydrophobicContact CD1-CZ 4.21Å; Y130-F134 HydrophobicContact CD2-CE2 4.23Å; Y130-F134 HydrophobicContact CE1-CE2 4.11Å; Y130-F134 HydrophobicContact CG-CD2 4.07Å; Y130-F134 AromaticContact CG-CE2 3.59Å; Y130-F134 HydrophobicContact CG-CE2 3.59Å; Y130-F134 WeakPolarHBondContact O-CB 3.41Å; Y130-F134 WeakPolarHBondContact O-CD2 3.25Å; Y130-F134 PolarHBondContact O-N 3.36Å
131	Y	92.8	Very high	86.7	Confident	71 Å²	71	50.1 Å²	50.1	28%	0.278	24%	0.243	S	C	.	.	I	π-helix	trans	-58.5	-49.1	176.7	176.7	-97.6	0	0	0	111.6	M35 W38 I127 R133 H135 L136	M35-Y131 HydrophobicContact CE-CD2 4.46Å; M35-Y131 HydrophobicContact CE-CG 4.05Å; M35-Y131 HydrophobicContact SD-CD1 4.44Å; M35-Y131 HydrophobicContact SD-CD2 4.43Å; M35-Y131 HydrophobicContact SD-CG 4.15Å; W38-Y131 AromaticContact CD1-CE2 3.98Å; W38-Y131 AromaticContact CD2-CD2 3.67Å; W38-Y131 HydrophobicContact CD2-CD2 3.67Å; W38-Y131 HydrophobicContact CD2-CE2 4.33Å; W38-Y131 AromaticContact CE2-CD2 3.56Å; W38-Y131 HydrophobicContact CE3-CD2 4.11Å; W38-Y131 HydrophobicContact CG-CD2 4.01Å; W38-Y131 HydrophobicContact CG-CE2 4.2Å; W38-Y131 HydrophobicContact CH2-CD2 4.33Å; W38-Y131 AromaticContact CZ2-CD2 3.92Å; W38-Y131 HydrophobicContact CZ2-CD2 3.92Å; W38-Y131 HydrophobicContact CZ3-CD2 4.41Å; W38-Y131 AromaticContact NE1-CD2 3.78Å; W38-Y131 AromaticContact NE1-CE2 3.97Å; I127-Y131 WeakPolarHBondContact O-CB 3.33Å; I127-Y131 PolarHBondContact O-N 3.1Å; Y131-R133 VanDerWaalsContact C-N 3.3Å; Y131-R133 PolarHBondContact O-N 2.9Å; Y131-H135 HydrophobicContact CD2-CB 4.01Å; Y131-H135 HydrophobicContact CE2-CB 4.15Å; Y131-H135 AromaticContact CE2-CD2 3.34Å; Y131-H135 WeakPolarHBondContact CE2-CD2 3.37Å; Y131-H135 AromaticContact CE2-CG 3.88Å; Y131-H135 AromaticContact CZ-CD2 3.66Å; Y131-H135 WeakPolarHBondContact O-CA 3.29Å; Y131-H135 WeakPolarHBondContact O-CB 3.38Å; Y131-H135 PolarHBondContact O-N 3.44Å; Y131-L136 HydrophobicContact CD1-CD1 4.17Å; Y131-L136 HydrophobicContact CD1-CG 4.21Å; Y131-L136 HydrophobicContact CE1-CD1 3.8Å; Y131-L136 HydrophobicContact CE1-CD2 3.9Å; Y131-L136 HydrophobicContact CE1-CG 3.81Å; Y131-L136 PolarHBondContact O-N 3.12Å
132	R	89.7	Confident	85	Confident	50 Å²	50	45.9 Å²	45.9	19%	0.189	23%	0.23	C	C	.	.	I	π-helix	trans	-58	-46.9	176.6	174	152.2	71.3	170.5	-8.6	111.1	Q128 L129 Y130 L136 E137 P146 T147	Q128-R132 PolarHBondContact O-N 3.15Å; Q128-R132 VanDerWaalsContact O-N 3.09Å; L129-R132 PolarHBondContact O-N 2.87Å; Y130-R132 PolarHBondContact O-N 2.77Å; R132-L136 WeakPolarHBondContact O-CB 3.44Å; R132-L136 PolarHBondContact O-N 2.96Å; R132-E137 HydrophobicContact CG-CG 4.45Å; R132-E137 WeakPolarHBondContact CG-OE1 3.45Å; R132-E137 PolarHBondContact O-N 3.11Å; R132-P146 PolarHBondContact NH2-O 3.07Å; R132-T147 PolarHBondContact NH1-O 3.42Å; R132-T147 PolarHBondContact NH2-O 2.91Å
133	R	88.7	Confident	83.2	Confident	8 Å²	8	49.6 Å²	49.6	3%	0.03	25%	0.252	C	S	.	.	I	π-helix	trans	-79	-43.2	-168.2	-156.2	52.3	154.7	-156.5	-11.5	114.3	G101 V103 L129 Y130 Y131 E137 E138 G139 N141 A142 V144	G101-R133 WeakPolarHBondContact O-CG 3.47Å; G101-R133 PolarHBondContact O-NE 2.95Å; V103-R133 HydrophobicContact CG2-CB 3.61Å; V103-R133 HydrophobicContact CG2-CG 3.62Å; L129-R133 WeakPolarHBondContact O-CB 3.43Å; L129-R133 PolarHBondContact O-N 3.44Å; Y130-R133 PolarHBondContact O-N 2.89Å; Y131-R133 VanDerWaalsContact C-N 3.3Å; Y131-R133 PolarHBondContact O-N 2.9Å; R133-E137 WeakPolarHBondContact CD-OE2 3.15Å; R133-E137 IonicContact CZ-OE2 3.46Å; R133-E137 IonicContact NE-OE2 3.6Å; R133-E137 IonicContact NH1-OE2 2.64Å; R133-E137 PolarHBondContact NH1-OE2 3.12Å; R133-E138 PolarHBondContact O-N 2.64Å; R133-G139 PolarHBondContact O-N 2.82Å; R133-G139 VanDerWaalsContact O-N 3.15Å; R133-N141 PolarHBondContact NH1-O 2.9Å; R133-N141 PolarHBondContact NH2-O 2.88Å; R133-A142 PolarHBondContact NH2-O 3.11Å; R133-V144 PolarHBondContact NH1-O 3.34Å; R133-V144 PolarHBondContact NH2-O 3.32Å
134	F	89.5	Confident	81.2	Confident	5 Å²	5	53.2 Å²	53.2	2%	0.022	27%	0.274	C	S	.	.	I	π-helix	trans	-89.6	-36	-176.2	-54.7	-45.6	0	0	0	112.5	L67 I68 F71 Y72 A97 V103 Y130	L67-F134 HydrophobicContact CD2-CD2 4.04Å; L67-F134 HydrophobicContact CD2-CE2 4.37Å; I68-F134 HydrophobicContact CD1-CD2 4.21Å; I68-F134 HydrophobicContact CD1-CE2 3.25Å; I68-F134 HydrophobicContact CD1-CZ 3.52Å; F71-F134 HydrophobicContact CB-CB 4.4Å; F71-F134 HydrophobicContact CD1-CB 3.85Å; F71-F134 HydrophobicContact CD2-CB 3.61Å; F71-F134 HydrophobicContact CD2-CD2 4.34Å; F71-F134 HydrophobicContact CD2-CG 4.15Å; F71-F134 HydrophobicContact CE1-CB 3.96Å; F71-F134 WeakPolarHBondContact CE1-O 2.73Å; F71-F134 HydrophobicContact CE2-CB 3.74Å; F71-F134 HydrophobicContact CG-CB 3.68Å; F71-F134 HydrophobicContact CG-CG 4.36Å; F71-F134 HydrophobicContact CZ-CB 3.92Å; Y72-F134 AromaticContact CE2-CD1 3.63Å; Y72-F134 HydrophobicContact CE2-CD1 3.63Å; Y72-F134 AromaticContact CE2-CE1 3.54Å; Y72-F134 HydrophobicContact CE2-CE1 3.54Å; Y72-F134 HydrophobicContact CE2-CZ 4.38Å; A97-F134 HydrophobicContact CB-CZ 4.27Å; V103-F134 HydrophobicContact CG2-CZ 4.27Å; Y130-F134 HydrophobicContact CD1-CD2 4.32Å; Y130-F134 AromaticContact CD1-CE2 3.51Å; Y130-F134 HydrophobicContact CD1-CE2 3.51Å; Y130-F134 HydrophobicContact CD1-CZ 4.21Å; Y130-F134 HydrophobicContact CD2-CE2 4.23Å; Y130-F134 HydrophobicContact CE1-CE2 4.11Å; Y130-F134 HydrophobicContact CG-CD2 4.07Å; Y130-F134 AromaticContact CG-CE2 3.59Å; Y130-F134 HydrophobicContact CG-CE2 3.59Å; Y130-F134 WeakPolarHBondContact O-CB 3.41Å; Y130-F134 WeakPolarHBondContact O-CD2 3.25Å; Y130-F134 PolarHBondContact O-N 3.36Å
135	H	86.7	Confident	79	Confident	86 Å²	86	56.2 Å²	56.2	40%	0.398	30%	0.296	S	S	.	.	I	π-helix	trans	-93.9	-44.9	-176.4	-171.1	76.5	0	0	0	113.3	W38 F71 Y131	W38-H135 HydrophobicContact CZ2-CB 4.17Å; W38-H135 AromaticContact NE1-CG 3.91Å; W38-H135 AromaticContact NE1-ND1 3.8Å; F71-H135 HydrophobicContact CZ-CB 4.29Å; Y131-H135 HydrophobicContact CD2-CB 4.01Å; Y131-H135 HydrophobicContact CE2-CB 4.15Å; Y131-H135 AromaticContact CE2-CD2 3.34Å; Y131-H135 WeakPolarHBondContact CE2-CD2 3.37Å; Y131-H135 AromaticContact CE2-CG 3.88Å; Y131-H135 AromaticContact CZ-CD2 3.66Å; Y131-H135 WeakPolarHBondContact O-CA 3.29Å; Y131-H135 WeakPolarHBondContact O-CB 3.38Å; Y131-H135 PolarHBondContact O-N 3.44Å
136	L	85.1	Confident	76.7	Confident	104 Å²	104	57 Å²	57	55%	0.545	30%	0.302	S	S	.	.	I	π-helix	trans	-86	-37.5	-176.6	-58	-178.7	0	0	0	113.2	Y131 R132	Y131-L136 HydrophobicContact CD1-CD1 4.17Å; Y131-L136 HydrophobicContact CD1-CG 4.21Å; Y131-L136 HydrophobicContact CE1-CD1 3.8Å; Y131-L136 HydrophobicContact CE1-CD2 3.9Å; Y131-L136 HydrophobicContact CE1-CG 3.81Å; Y131-L136 PolarHBondContact O-N 3.12Å; R132-L136 WeakPolarHBondContact O-CB 3.44Å; R132-L136 PolarHBondContact O-N 2.96Å
137	E	82	Confident	74.4	Confident	36 Å²	36	62.5 Å²	62.5	17%	0.168	34%	0.336	C	S	.	.	S	Bend	trans	-100.1	-8.6	-174.9	-66.2	173.2	-169.3	0	0	113	R132 R133 G139 K140 N141	R132-E137 HydrophobicContact CG-CG 4.45Å; R132-E137 WeakPolarHBondContact CG-OE1 3.45Å; R132-E137 PolarHBondContact O-N 3.11Å; R133-E137 WeakPolarHBondContact CD-OE2 3.15Å; R133-E137 IonicContact CZ-OE2 3.46Å; R133-E137 IonicContact NE-OE2 3.6Å; R133-E137 IonicContact NH1-OE2 2.64Å; R133-E137 PolarHBondContact NH1-OE2 3.12Å; E137-G139 PolarHBondContact O-N 3.3Å; E137-K140 VanDerWaalsContact O-CB 3.26Å; E137-K140 WeakPolarHBondContact O-CB 2.81Å; E137-K140 PolarHBondContact O-N 3.16Å; E137-N141 HydrophobicContact CB-CB 4.43Å; E137-N141 HydrophobicContact CG-CB 4.46Å; E137-N141 WeakPolarHBondContact OE2-CB 3.42Å
138	E	71.4	Confident	72	Confident	127 Å²	127	66.1 Å²	66.1	59%	0.593	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	31.4	-178	-60	177	172.4	0	0	112.7	R133 K140	R133-E138 PolarHBondContact O-N 2.64Å; E138-K140 HydrophobicContact CB-CD 4.41Å; E138-K140 HydrophobicContact CB-CG 4.46Å; E138-K140 PolarHBondContact O-N 3.1Å; E138-K140 VanDerWaalsContact O-N 3.11Å; E138-K140 WeakPolarHBondContact OE2-CE 3.43Å; E138-K140 IonicContact OE2-NZ 2.65Å; E138-K140 PolarHBondContact OE2-NZ 3.47Å
139	G	59.9	Low	69.7	Low	18 Å²	18	66.3 Å²	66.3	19%	0.186	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	-4.4	-173.3	0	0	0	0	0	116.1	R133 E137 N141 A142	R133-G139 PolarHBondContact O-N 2.82Å; R133-G139 VanDerWaalsContact O-N 3.15Å; E137-G139 PolarHBondContact O-N 3.3Å; G139-N141 PolarHBondContact O-N 2.94Å; G139-N141 VanDerWaalsContact O-N 3.09Å; G139-A142 PolarHBondContact O-N 3.14Å
140	K	61.6	Low	67.3	Low	155 Å²	155	72 Å²	72	67%	0.674	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.4	-176.2	-67	169.7	173.6	159.8	0	113.8	E137 E138	E137-K140 VanDerWaalsContact O-CB 3.26Å; E137-K140 WeakPolarHBondContact O-CB 2.81Å; E137-K140 PolarHBondContact O-N 3.16Å; E138-K140 HydrophobicContact CB-CD 4.41Å; E138-K140 HydrophobicContact CB-CG 4.46Å; E138-K140 PolarHBondContact O-N 3.1Å; E138-K140 VanDerWaalsContact O-N 3.11Å; E138-K140 WeakPolarHBondContact OE2-CE 3.43Å; E138-K140 IonicContact OE2-NZ 2.65Å; E138-K140 PolarHBondContact OE2-NZ 3.47Å
141	N	57.3	Low	64.6	Low	73 Å²	73	77.4 Å²	77.4	39%	0.39	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	22.6	-178.6	-65.6	-43.4	0	0	0	113.5	R133 E137 G139 T143 V144	R133-N141 PolarHBondContact NH1-O 2.9Å; R133-N141 PolarHBondContact NH2-O 2.88Å; E137-N141 HydrophobicContact CB-CB 4.43Å; E137-N141 HydrophobicContact CG-CB 4.46Å; E137-N141 WeakPolarHBondContact OE2-CB 3.42Å; G139-N141 PolarHBondContact O-N 2.94Å; G139-N141 VanDerWaalsContact O-N 3.09Å; N141-T143 PolarHBondContact O-N 2.95Å; N141-V144 PolarHBondContact O-N 3.19Å
142	A	58.5	Low	62.4	Low	33 Å²	33	83.5 Å²	83.5	27%	0.273	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-26.6	-178.4	0	0	0	0	0	114.3	N102 R133 G139	N102-A142 HydrophobicContact CB-CB 4.34Å; N102-A142 WeakPolarHBondContact CB-O 3.34Å; N102-A142 VanDerWaalsContact CG-O 3.22Å; N102-A142 PolarHBondContact ND2-O 2.89Å; R133-A142 PolarHBondContact NH2-O 3.11Å; G139-A142 PolarHBondContact O-N 3.14Å
143	T	58	Low	59.9	Low	130 Å²	130	85.6 Å²	85.6	80%	0.798	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-13.8	178.3	55.5	0	0	0	0	115.3	N141	N141-T143 PolarHBondContact O-N 2.95Å
144	V	55.7	Low	57.7	Low	76 Å²	76	89.4 Å²	89.4	46%	0.461	53%	0.53	S	S	.	.	S	Bend	trans	-100.4	121.3	-176.1	-176.3	0	0	0	0	109.8	R133 N141	R133-V144 PolarHBondContact NH1-O 3.34Å; R133-V144 PolarHBondContact NH2-O 3.32Å; N141-V144 PolarHBondContact O-N 3.19Å
145	P	50.4	Low	55.3	Low	92 Å²	92	95 Å²	95	60%	0.597	57%	0.566	S	S	*	*			trans	-62	142.1	177.5	-22.7	32.4	0	0	0	112.4	T147	P145-T147 PolarHBondContact O-N 3.26Å; P145-T147 PolarHBondContact O-OG1 3.07Å
146	P	47.2	Very low	53.4	Low	57 Å²	57	99.8 Å²	99.8	37%	0.37	59%	0.586	S	S	.	*			trans	-60.5	103.2	176.2	14.8	-22.8	0	0	0	111.8	L129 R132	L129-P146 HydrophobicContact CD2-CB 4.39Å; L129-P146 HydrophobicContact CD2-CG 4.38Å; R132-P146 PolarHBondContact NH2-O 3.07Å
147	T	48.9	Very low	51.6	Low	116 Å²	116	100.4 Å²	100.4	71%	0.712	60%	0.596	S	S	*	*			trans	-82.6	130.2	174.6	-50.3	0	0	0	0	109.9	R132 P145	R132-T147 PolarHBondContact NH1-O 3.42Å; R132-T147 PolarHBondContact NH2-O 2.91Å; P145-T147 PolarHBondContact O-N 3.26Å; P145-T147 PolarHBondContact O-OG1 3.07Å
148	G	44.8	Very low	50.1	Low	77 Å²	77	107.2 Å²	107.2	79%	0.794	63%	0.628	S	S	*	*	S	Bend	trans	103.7	6.2	163.5	0	0	0	0	0	120.2
149	I	45.8	Very low	49.1	Very low	57 Å²	57	106.8 Å²	106.8	29%	0.292	63%	0.634	S	S	.	*			trans	-112.9	-24.6	175.4	-60.9	179.6	0	0	0	113.5	P151	I149-P151 WeakPolarHBondContact O-CD 3.26Å
150	L	45.1	Very low	49.1	Very low	141 Å²	141	111.5 Å²	111.5	74%	0.738	66%	0.659	S	S	*	*	S	Bend	trans	-59.9	117.3	171.5	-67	178.5	0	0	0	107.7	K152	L150-K152 PolarHBondContact O-N 2.89Å; L150-K152 VanDerWaalsContact O-N 3.14Å
151	P	37.7	Very low	48.6	Very low	113 Å²	113	111.3 Å²	111.3	73%	0.734	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-53.7	127.4	163.3	-16	29.7	0	0	0	105.4	I149 A153	I149-P151 WeakPolarHBondContact O-CD 3.26Å; P151-A153 PolarHBondContact O-N 3.4Å; P151-A153 VanDerWaalsContact O-N 3.12Å
152	K	45.4	Very low	48.5	Very low	199 Å²	199	120.1 Å²	120.1	87%	0.865	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-47.3	129.4	170.1	-71.1	-176.6	179	-179.8	0	106.2	L150 A154	L150-K152 PolarHBondContact O-N 2.89Å; L150-K152 VanDerWaalsContact O-N 3.14Å; K152-A154 PolarHBondContact O-N 3.18Å
153	A	38	Very low	48	Very low	95 Å²	95	124.5 Å²	124.5	79%	0.785	73%	0.726	S	S	*	*			trans	-38.3	128.5	-177	0	0	0	0	0	109.4	P151	P151-A153 PolarHBondContact O-N 3.4Å; P151-A153 VanDerWaalsContact O-N 3.12Å
154	A	42.1	Very low	47.4	Very low	88 Å²	88	124.2 Å²	124.2	73%	0.727	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-46.8	130.4	-177.1	0	0	0	0	0	108.6	K152 K156	K152-A154 PolarHBondContact O-N 3.18Å; A154-K156 PolarHBondContact O-N 2.7Å
155	P	40.5	Very low	47	Very low	121 Å²	121	126.8 Å²	126.8	79%	0.786	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-53.9	131.7	-179	20.4	-29.5	0	0	0	108.1
156	K	45.4	Very low	46.8	Very low	187 Å²	187	128.9 Å²	128.9	81%	0.813	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-51.2	139.2	175.9	-82.1	-177.4	177.6	-179.5	0	107.8	A154 E158	A154-K156 PolarHBondContact O-N 2.7Å; K156-E158 PolarHBondContact O-N 3.08Å
157	P	47	Very low	46.7	Very low	117 Å²	117	133.4 Å²	133.4	76%	0.76	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-54.5	121.3	177.1	23.7	-32.2	0	0	0	107.7	T159	P157-T159 PolarHBondContact O-N 3.46Å
158	E	52.5	Low	46.6	Very low	180 Å²	180	134.5 Å²	134.5	84%	0.841	77%	0.772	S	S	*	*			trans	-57.7	109.4	172.2	-74	172	164.3	0	0	106.5	K156 T160	K156-E158 PolarHBondContact O-N 3.08Å; E158-T160 PolarHBondContact O-N 3.34Å
159	T	49.9	Very low	46.7	Very low	117 Å²	117	138.6 Å²	138.6	72%	0.718	77%	0.771	S	S	*	*			trans	-68.6	92.5	164.1	41.6	0	0	0	0	106	P157 D161	P157-T159 PolarHBondContact O-N 3.46Å; T159-D161 VanDerWaalsContact C-N 3.28Å; T159-D161 PolarHBondContact O-N 3.4Å; T159-D161 VanDerWaalsContact O-N 3.08Å
160	T	58.5	Low	46.8	Very low	117 Å²	117	144.9 Å²	144.9	72%	0.718	81%	0.808	S	S	*	*			trans	-73.1	94.4	163.8	-31	0	0	0	0	106.1	E158 E162	E158-T160 PolarHBondContact O-N 3.34Å; T160-E162 PolarHBondContact O-N 2.79Å
161	D	51.7	Low	47	Very low	152 Å²	152	145.3 Å²	145.3	81%	0.813	81%	0.813	S	S	*	*			trans	-64.8	105.1	163.4	-70.3	-56.5	0	0	0	107.6	T159	T159-D161 VanDerWaalsContact C-N 3.28Å; T159-D161 PolarHBondContact O-N 3.4Å; T159-D161 VanDerWaalsContact O-N 3.08Å
162	E	54.7	Low	47.8	Very low	257 Å²	257	148.2 Å²	148.2	100%	1.201	82%	0.821	S	S	*	*			trans	-135.1	0	155.9	-90.6	-171.7	128.9	0	0	109.8	T160	T160-E162 PolarHBondContact O-N 2.79Å

Retrieved 162 of 162 residues in 89.6 ms (Link to these results)

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