A0A096MR53_PAPAN Loading...

Mesencephalic astrocyte derived neurotrophic factor

AlphaFold DB (H9F849), UniProt , Accession A0A096MR53, Species PAPAN (Papio anubis, Olive baboon), Gene MANF, Length 180 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	R	39.7	Very low	47.1	Very low	294 Å²	294	156.2 Å²	156.2	100%	1.109	87%	0.865	S	S	*	*				0	95.3	0	-80.4	177.6	170	172.1	-3.5	107
2	M	36.1	Very low	47.4	Very low	192 Å²	192	155.3 Å²	155.3	95%	0.946	86%	0.857	S	S	*	*			trans	-84	119.2	179.4	-70.1	157.4	66.4	0	0	107.8
3	W	42.5	Very low	47.8	Very low	246 Å²	246	150.5 Å²	150.5	93%	0.932	85%	0.85	S	S	*	*			trans	-102.4	107.4	168.4	-84.3	-20.4	0	0	0	108.3	T5	W3-T5 PolarHBondContact O-N 2.96Å
4	A	45.3	Very low	48	Very low	100 Å²	100	150.4 Å²	150.4	83%	0.826	85%	0.845	S	S	*	*			trans	-76.6	111.7	168.4	0	0	0	0	0	108.2
5	T	52.8	Low	48.3	Very low	136 Å²	136	147.2 Å²	147.2	83%	0.834	84%	0.837	S	S	*	*			trans	-83.3	120.1	172.3	47.6	0	0	0	0	109.7	W3	W3-T5 PolarHBondContact O-N 2.96Å
6	Q	49.3	Very low	48.4	Very low	196 Å²	196	146.3 Å²	146.3	92%	0.916	83%	0.834	S	S	*	*			trans	-81.4	153.9	170.4	-67.1	-179.7	-47.3	0	0	111.7
7	G	47.5	Very low	48.8	Very low	70 Å²	70	146.3 Å²	146.3	72%	0.722	83%	0.831	S	S	*	*			trans	104.3	138.5	158.8	0	0	0	0	0	114.4
8	L	47.8	Very low	48.8	Very low	166 Å²	166	144.9 Å²	144.9	87%	0.869	83%	0.828	S	S	*	*			cis	-147.1	131.9	5.4	-86.1	100.7	0	0	0	108.1
9	A	52.2	Low	48.5	Very low	105 Å²	105	140.8 Å²	140.8	87%	0.868	82%	0.821	S	S	*	*			trans	-86.2	107.5	165.2	0	0	0	0	0	108.8	A11	A9-A11 PolarHBondContact O-N 3.11Å
10	V	51.6	Low	48.4	Very low	119 Å²	119	136.7 Å²	136.7	72%	0.721	81%	0.81	S	S	*	*			trans	-77.6	98	170.4	178	0	0	0	0	107.5	L12	V10-L12 HydrophobicContact CG1-CD1 4.27Å; V10-L12 PolarHBondContact O-N 3.04Å; V10-L12 VanDerWaalsContact O-N 3.12Å
11	A	53.1	Low	48.5	Very low	94 Å²	94	141.1 Å²	141.1	78%	0.777	81%	0.813	S	S	*	*			trans	-73.1	98.9	169.2	0	0	0	0	0	108.7	A9 A13	A9-A11 PolarHBondContact O-N 3.11Å; A11-A13 VanDerWaalsContact C-N 3.32Å; A11-A13 PolarHBondContact O-N 3.45Å
12	L	50.9	Low	49.2	Very low	145 Å²	145	130.7 Å²	130.7	76%	0.759	79%	0.79	S	S	*	*			trans	-65.4	95.6	163	-106.3	101.1	0	0	0	107.8	V10 L14	V10-L12 HydrophobicContact CG1-CD1 4.27Å; V10-L12 PolarHBondContact O-N 3.04Å; V10-L12 VanDerWaalsContact O-N 3.12Å; L12-L14 PolarHBondContact O-N 3.44Å
13	A	52.9	Low	50.1	Low	94 Å²	94	123.5 Å²	123.5	78%	0.777	76%	0.755	S	S	*	*			trans	-68.3	97	165	0	0	0	0	0	107.8	A11 S15	A11-A13 VanDerWaalsContact C-N 3.32Å; A11-A13 PolarHBondContact O-N 3.45Å; A13-S15 VanDerWaalsContact C-N 3.28Å; A13-S15 PolarHBondContact O-N 3.32Å
14	L	50.9	Low	51	Low	148 Å²	148	121.1 Å²	121.1	78%	0.775	75%	0.745	S	S	*	*			trans	-62.8	97.5	161.3	-93.5	89.7	0	0	0	107.1	L12 V16	L12-L14 PolarHBondContact O-N 3.44Å; L14-V16 VanDerWaalsContact C-N 3.33Å; L14-V16 PolarHBondContact O-N 2.97Å
15	S	51.7	Low	51.5	Low	103 Å²	103	122.9 Å²	122.9	72%	0.72	75%	0.749	S	S	*	*			trans	-63.1	98.6	163.4	42.3	0	0	0	0	107.7	A13 L17	A13-S15 VanDerWaalsContact C-N 3.28Å; A13-S15 PolarHBondContact O-N 3.32Å; S15-L17 PolarHBondContact O-N 3.22Å
16	V	51.1	Low	52	Low	132 Å²	132	118.6 Å²	118.6	80%	0.8	73%	0.732	S	S	*	*			trans	-64.2	94.4	165.2	-179.3	0	0	0	0	106.2	L14 P18	L14-V16 VanDerWaalsContact C-N 3.33Å; L14-V16 PolarHBondContact O-N 2.97Å; V16-P18 WeakPolarHBondContact O-CD 3.5Å
17	L	54.2	Low	53.1	Low	147 Å²	147	111.2 Å²	111.2	77%	0.77	70%	0.698	S	S	*	*			trans	-56	126	165.9	-77.4	162.1	0	0	0	106.9	S15 G19	S15-L17 PolarHBondContact O-N 3.22Å; L17-G19 PolarHBondContact O-N 3.32Å
18	P	48.8	Very low	54.8	Low	121 Å²	121	107.9 Å²	107.9	79%	0.786	66%	0.664	S	S	*	*			trans	-62	104.5	172.5	22.5	-28.9	0	0	0	107.5	V16 G20	V16-P18 WeakPolarHBondContact O-CD 3.5Å; P18-G20 PolarHBondContact O-N 3.39Å
19	G	43.9	Very low	56.7	Low	67 Å²	67	103.9 Å²	103.9	69%	0.691	64%	0.641	S	S	*	*			trans	-52	116.4	175.7	0	0	0	0	0	108.9	L17 R21	L17-G19 PolarHBondContact O-N 3.32Å; G19-R21 PolarHBondContact O-N 3.46Å
20	G	45.7	Very low	58.5	Low	58 Å²	58	98.9 Å²	98.9	60%	0.598	60%	0.6	S	S	*	*			trans	-54.6	116.2	169.7	0	0	0	0	0	107.6	P18 A22	P18-G20 PolarHBondContact O-N 3.39Å; G20-A22 PolarHBondContact O-N 3.24Å
21	R	50.5	Low	60.5	Low	230 Å²	230	93.2 Å²	93.2	87%	0.868	57%	0.565	S	S	*	*			trans	-62.8	92	170	-77.8	-179.3	171.6	172.8	-2.3	106.8	G19 L23	G19-R21 PolarHBondContact O-N 3.46Å; R21-L23 PolarHBondContact O-N 3.48Å
22	A	55.2	Low	62.4	Low	76 Å²	76	90.8 Å²	90.8	63%	0.628	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-50.2	135.9	168.8	0	0	0	0	0	108.2	G20 R24	G20-A22 PolarHBondContact O-N 3.24Å; A22-R24 PolarHBondContact O-N 3.05Å
23	L	55.1	Low	64.3	Low	41 Å²	41	86.2 Å²	86.2	22%	0.215	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-54.6	130.7	179	-73.2	167.4	0	0	0	109.1	R21 D27 C28 I32 E101 E105 K108	R21-L23 PolarHBondContact O-N 3.48Å; L23-D27 HydrophobicContact CB-CB 4.45Å; L23-D27 HydrophobicContact CD2-CB 3.89Å; L23-C28 VanDerWaalsContact CD2-SG 3.51Å; L23-I32 HydrophobicContact CD1-CD1 4.38Å; L23-E101 WeakPolarHBondContact CD1-O 3.43Å; L23-E105 HydrophobicContact CD1-CB 3.99Å; L23-E105 HydrophobicContact CD1-CG 4.46Å; L23-E105 HydrophobicContact CD2-CG 4.43Å; L23-E105 HydrophobicContact CG-CB 4.21Å; L23-E105 HydrophobicContact CG-CG 4.14Å; L23-K108 HydrophobicContact CD2-CD 4.13Å
24	R	61	Low	66.3	Low	195 Å²	195	81.9 Å²	81.9	74%	0.736	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-65.6	149	171.6	-69.6	-179.7	176.3	177.9	-2.1	108.5	A22 G26 D27	A22-R24 PolarHBondContact O-N 3.05Å; R24-G26 PolarHBondContact O-N 3.14Å; R24-G26 VanDerWaalsContact O-N 3.09Å; R24-D27 WeakPolarHBondContact O-CB 3.29Å; R24-D27 PolarHBondContact O-N 3.45Å
25	P	56	Low	68.4	Low	138 Å²	138	74.9 Å²	74.9	90%	0.896	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	120.2	173.1	21.2	-30.4	0	0	0	109.7
26	G	62.3	Low	70.4	Confident	46 Å²	46	71 Å²	71	47%	0.474	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	93	3	-177.4	0	0	0	0	0	116.4	R24	R24-G26 PolarHBondContact O-N 3.14Å; R24-G26 VanDerWaalsContact O-N 3.09Å
27	D	71.9	Confident	72.4	Confident	40 Å²	40	70.4 Å²	70.4	21%	0.214	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	141.6	166.9	-88.9	-2	0	0	0	110.6	L23 R24 E29 K108	L23-D27 HydrophobicContact CB-CB 4.45Å; L23-D27 HydrophobicContact CD2-CB 3.89Å; R24-D27 WeakPolarHBondContact O-CB 3.29Å; R24-D27 PolarHBondContact O-N 3.45Å; D27-E29 VanDerWaalsContact C-N 3.3Å; D27-E29 PolarHBondContact O-N 3Å; D27-K108 IonicContact OD2-NZ 2.67Å; D27-K108 PolarHBondContact OD2-NZ 2.82Å
28	C	84.4	Confident	74.4	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	26.7	177.9	-44.2	0	0	0	0	115.3	L23 V30 C31 I32 C104 C115	L23-C28 VanDerWaalsContact CD2-SG 3.51Å; C28-V30 PolarHBondContact O-N 3.41Å; C28-C31 HydrophobicContact CB-CB 4.16Å; C28-C31 WeakPolarHBondContact O-CB 3.43Å; C28-C31 PolarHBondContact O-N 3.17Å; C28-I32 HydrophobicContact CB-CD1 4.02Å; C28-I32 HydrophobicContact CB-CG1 4.12Å; C28-I32 WeakPolarHBondContact O-CG1 3.44Å; C28-I32 PolarHBondContact O-N 2.97Å; C28-C104 HydrophobicContact CB-CB 3.97Å; C28-C115 HydrophobicContact CB-CB 3.86Å; C28-C115 WeakPolarHBondContact CB-SG 3.4Å; C28-C115 PolarHBondContact N-O 3.32Å; C28-C115 WeakPolarHBondContact SG-CB 3.5Å; C28-C115 CovalentContact SG-SG 2.02Å; C28-C115 PolarHBondContact SG-SG 3.32Å
29	E	87.6	Confident	76.5	Confident	83 Å²	83	59.3 Å²	59.3	39%	0.388	34%	0.338	S	S	.	.	H	α-helix	trans	-48	-50.8	-176.5	-173.9	-172.6	176.2	0	0	113.5	D27 S33 Y119	D27-E29 VanDerWaalsContact C-N 3.3Å; D27-E29 PolarHBondContact O-N 3Å; E29-S33 WeakPolarHBondContact O-CB 3.38Å; E29-S33 PolarHBondContact O-N 2.98Å; E29-Y119 HydrophobicContact CG-CD2 3.97Å; E29-Y119 HydrophobicContact CG-CE2 4.44Å
30	V	90.4	Very high	78.9	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-65.5	-42.8	179.9	178.4	0	0	0	0	111.2	C28 Y34 K68 E69 L72 L117 Y119	C28-V30 PolarHBondContact O-N 3.41Å; V30-Y34 WeakPolarHBondContact O-CB 3.29Å; V30-Y34 PolarHBondContact O-N 3.13Å; V30-K68 HydrophobicContact CG1-CB 4.19Å; V30-K68 HydrophobicContact CG2-CB 4.25Å; V30-E69 HydrophobicContact CG1-CG 4.42Å; V30-L72 HydrophobicContact CG1-CB 4.37Å; V30-L72 HydrophobicContact CG1-CD2 4.28Å; V30-L117 HydrophobicContact CB-CB 4Å; V30-L117 HydrophobicContact CG1-CB 4.42Å; V30-L117 HydrophobicContact CG2-CB 4.08Å; V30-L117 WeakPolarHBondContact CG2-O 3.46Å; V30-Y119 HydrophobicContact CB-CE2 4.24Å; V30-Y119 HydrophobicContact CG1-CE1 4.33Å; V30-Y119 HydrophobicContact CG2-CD1 4.09Å; V30-Y119 HydrophobicContact CG2-CD2 3.85Å; V30-Y119 HydrophobicContact CG2-CE1 4.15Å; V30-Y119 HydrophobicContact CG2-CE2 3.9Å; V30-Y119 HydrophobicContact CG2-CG 3.94Å; V30-Y119 VanDerWaalsContact CG2-N 3.3Å
31	C	92.8	Very high	81.2	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.6	-50	178.7	-179.6	0	0	0	0	111.7	C28 L35 L72 C104 I114	C28-C31 HydrophobicContact CB-CB 4.16Å; C28-C31 WeakPolarHBondContact O-CB 3.43Å; C28-C31 PolarHBondContact O-N 3.17Å; C31-L35 WeakPolarHBondContact O-CB 3.18Å; C31-L35 WeakPolarHBondContact O-CG 3.43Å; C31-L35 PolarHBondContact O-N 2.94Å; C31-L72 HydrophobicContact CB-CD1 4.15Å; C31-C104 HydrophobicContact CB-CB 3.96Å; C31-C104 WeakPolarHBondContact CB-SG 3.12Å; C31-C104 WeakPolarHBondContact SG-CB 3.45Å; C31-C104 CovalentContact SG-SG 2.05Å; C31-C104 PolarHBondContact SG-SG 3.43Å; C31-I114 HydrophobicContact CB-CG2 4.21Å
32	I	93.4	Very high	83.3	Confident	42 Å²	42	49.4 Å²	49.4	22%	0.215	27%	0.27	C	S	.	.	H	α-helix	trans	-66.9	-47.1	-176.2	-64.4	169.1	0	0	0	110.5	L23 C28 G36 E101 C104	L23-I32 HydrophobicContact CD1-CD1 4.38Å; C28-I32 HydrophobicContact CB-CD1 4.02Å; C28-I32 HydrophobicContact CB-CG1 4.12Å; C28-I32 WeakPolarHBondContact O-CG1 3.44Å; C28-I32 PolarHBondContact O-N 2.97Å; I32-G36 WeakPolarHBondContact O-CA 3.4Å; I32-G36 PolarHBondContact O-N 2.8Å; I32-E101 HydrophobicContact CD1-CG 4.24Å; I32-E101 HydrophobicContact CG2-CG 4.29Å; I32-C104 HydrophobicContact CG1-CB 4.05Å
33	S	91.5	Very high	85.1	Confident	49 Å²	49	50.4 Å²	50.4	34%	0.343	26%	0.26	S	S	.	.	H	α-helix	trans	-61	-49	178.7	179.3	0	0	0	0	111.8	E29 G36 R37 Y119	E29-S33 WeakPolarHBondContact O-CB 3.38Å; E29-S33 PolarHBondContact O-N 2.98Å; S33-G36 PolarHBondContact O-N 2.8Å; S33-R37 WeakPolarHBondContact O-CG 3.49Å; S33-R37 PolarHBondContact O-N 3.22Å; S33-Y119 PolarHBondContact OG-OH 3.48Å
34	Y	93.8	Very high	87	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-67.8	-50.5	-175.4	-168.9	-103.1	0	0	0	112.5	V30 G36 R37 F38 F61 A65 E69 L72	V30-Y34 WeakPolarHBondContact O-CB 3.29Å; V30-Y34 PolarHBondContact O-N 3.13Å; Y34-G36 VanDerWaalsContact C-N 3.29Å; Y34-G36 PolarHBondContact O-N 3.34Å; Y34-R37 PolarHBondContact O-N 3.42Å; Y34-F38 PolarHBondContact O-N 3.46Å; Y34-F61 HydrophobicContact CD1-CE1 4.48Å; Y34-F61 HydrophobicContact CD2-CE1 4.28Å; Y34-F61 AromaticContact CE1-CD1 3.75Å; Y34-F61 HydrophobicContact CE1-CD1 3.75Å; Y34-F61 AromaticContact CE1-CE1 3.9Å; Y34-F61 HydrophobicContact CE1-CE1 3.9Å; Y34-F61 HydrophobicContact CE2-CD1 4.14Å; Y34-F61 AromaticContact CE2-CE1 3.66Å; Y34-F61 HydrophobicContact CE2-CE1 3.66Å; Y34-F61 AromaticContact CZ-CD1 3.44Å; Y34-F61 VanDerWaalsContact CZ-CD1 3.44Å; Y34-F61 AromaticContact CZ-CE1 3.45Å; Y34-F61 VanDerWaalsContact CZ-CE1 3.45Å; Y34-F61 WeakPolarHBondContact OH-CD1 3.47Å; Y34-F61 PolarHBondContact OH-O 2.68Å; Y34-A65 HydrophobicContact CE2-CB 4.33Å; Y34-A65 WeakPolarHBondContact OH-CB 3.26Å; Y34-E69 HydrophobicContact CD2-CB 3.72Å; Y34-E69 HydrophobicContact CD2-CG 3.68Å; Y34-E69 WeakPolarHBondContact CD2-OE2 3.44Å; Y34-E69 HydrophobicContact CE2-CB 3.65Å; Y34-E69 HydrophobicContact CE2-CG 4.06Å; Y34-E69 WeakPolarHBondContact CE2-OE2 3.44Å; Y34-E69 HydrophobicContact CG-CB 4.44Å; Y34-E69 HydrophobicContact CG-CG 4.45Å; Y34-L72 HydrophobicContact CD1-CD2 3.8Å; Y34-L72 HydrophobicContact CG-CD2 4.02Å
35	L	94.4	Very high	88.5	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.5	-28.5	178.6	-67.5	-179	0	0	0	112.2	C31 Y39 L58 I76 V90 V100 I103	C31-L35 WeakPolarHBondContact O-CB 3.18Å; C31-L35 WeakPolarHBondContact O-CG 3.43Å; C31-L35 PolarHBondContact O-N 2.94Å; L35-Y39 WeakPolarHBondContact O-CB 3.35Å; L35-Y39 PolarHBondContact O-N 3Å; L35-L58 HydrophobicContact CD2-CD1 4.23Å; L35-I76 HydrophobicContact CD2-CD1 4.5Å; L35-V90 HydrophobicContact CD1-CG1 4.18Å; L35-V90 HydrophobicContact CD2-CG1 3.94Å; L35-V100 HydrophobicContact CB-CG1 3.44Å; L35-V100 VanDerWaalsContact CB-CG1 3.44Å; L35-V100 HydrophobicContact CB-CG2 4.26Å; L35-V100 HydrophobicContact CD1-CG1 4.31Å; L35-V100 HydrophobicContact CG-CG1 4.49Å; L35-I103 HydrophobicContact CD1-CG2 4.39Å
36	G	94.4	Very high	90.2	Very high	23 Å²	23	51.5 Å²	51.5	24%	0.237	26%	0.264	C	S	.	.	H	α-helix	trans	-63.9	-46.8	171.7	0	0	0	0	0	112.1	I32 S33 Y34 Y39 Q40	I32-G36 WeakPolarHBondContact O-CA 3.4Å; I32-G36 PolarHBondContact O-N 2.8Å; S33-G36 PolarHBondContact O-N 2.8Å; Y34-G36 VanDerWaalsContact C-N 3.29Å; Y34-G36 PolarHBondContact O-N 3.34Å; G36-Y39 PolarHBondContact O-N 2.95Å; G36-Q40 WeakPolarHBondContact O-CG 3.32Å; G36-Q40 PolarHBondContact O-N 3.32Å; G36-Q40 VanDerWaalsContact O-N 3.1Å
37	R	93.6	Very high	91.7	Very high	119 Å²	119	50.6 Å²	50.6	45%	0.449	25%	0.25	S	C	.	.	H	α-helix	trans	-62.1	-44.8	174.4	-73.4	-170.6	-62.4	152.4	5.2	111.9	S33 Y34 Y39 Q40 D41 E69	S33-R37 WeakPolarHBondContact O-CG 3.49Å; S33-R37 PolarHBondContact O-N 3.22Å; Y34-R37 PolarHBondContact O-N 3.42Å; R37-Y39 VanDerWaalsContact C-N 3.33Å; R37-Y39 PolarHBondContact O-N 2.96Å; R37-Q40 PolarHBondContact O-N 2.96Å; R37-D41 PolarHBondContact O-N 3.36Å; R37-E69 IonicContact CZ-OE1 3.68Å; R37-E69 IonicContact NH2-OE1 2.98Å; R37-E69 PolarHBondContact NH2-OE1 3.48Å; R37-E69 IonicContact NH2-OE2 3.55Å; R37-E69 PolarHBondContact NH2-OE2 3.27Å
38	F	95.1	Very high	92.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58	-44.6	175.3	173.6	-113.9	0	0	0	112.2	Y34 Q40 D41 L42 I54 E57 L58 F61 L94	Y34-F38 PolarHBondContact O-N 3.46Å; F38-Q40 VanDerWaalsContact C-N 3.35Å; F38-Q40 PolarHBondContact O-N 3.48Å; F38-D41 PolarHBondContact O-N 3.08Å; F38-L42 HydrophobicContact CD1-CD1 4.22Å; F38-L42 HydrophobicContact CD2-CG 4.39Å; F38-L42 HydrophobicContact CE1-CD1 3.61Å; F38-L42 HydrophobicContact CE1-CG 4.31Å; F38-L42 HydrophobicContact CE2-CD1 4.13Å; F38-L42 HydrophobicContact CE2-CD2 3.98Å; F38-L42 HydrophobicContact CE2-CG 3.98Å; F38-L42 HydrophobicContact CZ-CD1 3.56Å; F38-L42 HydrophobicContact CZ-CD2 4.06Å; F38-L42 HydrophobicContact CZ-CG 3.94Å; F38-L42 WeakPolarHBondContact O-CG 3.36Å; F38-L42 PolarHBondContact O-N 3.1Å; F38-I54 HydrophobicContact CE1-CG2 3.92Å; F38-I54 HydrophobicContact CZ-CG2 4.18Å; F38-E57 HydrophobicContact CE2-CB 4.1Å; F38-E57 HydrophobicContact CZ-CB 4.2Å; F38-L58 HydrophobicContact CD1-CD1 4.03Å; F38-L58 HydrophobicContact CD2-CD1 4.38Å; F38-L58 HydrophobicContact CE1-CB 4.06Å; F38-L58 HydrophobicContact CE1-CD1 3.96Å; F38-L58 HydrophobicContact CE1-CG 4.48Å; F38-L58 HydrophobicContact CE2-CB 4.21Å; F38-L58 HydrophobicContact CE2-CD1 4.33Å; F38-L58 HydrophobicContact CG-CD1 4.22Å; F38-L58 HydrophobicContact CZ-CB 3.65Å; F38-L58 HydrophobicContact CZ-CD1 4.11Å; F38-L58 HydrophobicContact CZ-CG 4.45Å; F38-F61 HydrophobicContact CB-CD1 3.99Å; F38-F61 HydrophobicContact CB-CE1 3.84Å; F38-F61 HydrophobicContact CB-CZ 4.32Å; F38-F61 HydrophobicContact CD2-CB 3.86Å; F38-F61 AromaticContact CD2-CD1 3.81Å; F38-F61 HydrophobicContact CD2-CD1 3.81Å; F38-F61 HydrophobicContact CD2-CD2 4.1Å; F38-F61 HydrophobicContact CD2-CE1 4.38Å; F38-F61 AromaticContact CD2-CG 3.66Å; F38-F61 HydrophobicContact CD2-CG 3.66Å; F38-F61 HydrophobicContact CE2-CB 4.05Å; F38-F61 HydrophobicContact CE2-CG 4.34Å; F38-F61 HydrophobicContact CG-CD1 4.25Å; F38-L94 HydrophobicContact CD1-CD1 4Å; F38-L94 HydrophobicContact CE1-CD1 3.87Å
39	Y	94.1	Very high	93	Very high	34 Å²	34	55.7 Å²	55.7	13%	0.133	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-39.3	178	179.8	-101.3	0	0	0	112.9	L35 G36 R37 K43 F49 L94 H97	L35-Y39 WeakPolarHBondContact O-CB 3.35Å; L35-Y39 PolarHBondContact O-N 3Å; G36-Y39 PolarHBondContact O-N 2.95Å; R37-Y39 VanDerWaalsContact C-N 3.33Å; R37-Y39 PolarHBondContact O-N 2.96Å; Y39-K43 HydrophobicContact CD1-CD 4.26Å; Y39-K43 HydrophobicContact CE1-CD 3.75Å; Y39-K43 VanDerWaalsContact CE1-CE 3.4Å; Y39-K43 VanDerWaalsContact CZ-CE 3.41Å; Y39-K43 PolarHBondContact O-N 3.15Å; Y39-K43 VanDerWaalsContact OH-CE 3.23Å; Y39-K43 WeakPolarHBondContact OH-CE 3.39Å; Y39-K43 PolarHBondContact OH-NZ 2.75Å; Y39-F49 AromaticContact CD2-CE1 3.61Å; Y39-F49 HydrophobicContact CD2-CE1 3.61Å; Y39-F49 HydrophobicContact CD2-CZ 4.09Å; Y39-F49 HydrophobicContact CE2-CD1 4.28Å; Y39-F49 AromaticContact CE2-CE1 3.37Å; Y39-F49 HydrophobicContact CE2-CE1 3.37Å; Y39-F49 AromaticContact CE2-CZ 3.86Å; Y39-F49 HydrophobicContact CE2-CZ 3.86Å; Y39-L94 HydrophobicContact CD2-CD2 3.94Å; Y39-H97 AromaticContact CE2-ND1 3.82Å; Y39-H97 AromaticContact CZ-ND1 3.85Å; Y39-H97 PolarHBondContact OH-ND1 3.39Å
40	Q	94.3	Very high	93.3	Very high	98 Å²	98	53.5 Å²	53.5	46%	0.458	27%	0.272	S	S	.	.	H	α-helix	trans	-67.4	-43.7	174.5	-65	-57.2	-45.6	0	0	111.4	G36 R37 F38 L42 K43 D44	G36-Q40 WeakPolarHBondContact O-CG 3.32Å; G36-Q40 PolarHBondContact O-N 3.32Å; G36-Q40 VanDerWaalsContact O-N 3.1Å; R37-Q40 PolarHBondContact O-N 2.96Å; F38-Q40 VanDerWaalsContact C-N 3.35Å; F38-Q40 PolarHBondContact O-N 3.48Å; Q40-L42 VanDerWaalsContact C-N 3.3Å; Q40-L42 PolarHBondContact O-N 2.56Å; Q40-K43 CarbonylContact O-C 3.35Å; Q40-K43 WeakPolarHBondContact O-CA 3.32Å; Q40-K43 WeakPolarHBondContact O-CB 3.25Å; Q40-K43 PolarHBondContact O-N 3.06Å; Q40-D44 VanDerWaalsContact O-CG 3.29Å; Q40-D44 PolarHBondContact O-N 2.7Å
41	D	94	Very high	93.4	Very high	48 Å²	48	55.9 Å²	55.9	26%	0.257	29%	0.288	S	S	.	.	H	α-helix	trans	-57.4	-42.2	176.4	174.4	78.4	0	0	0	112.4	R37 F38 K43 D44 R45	R37-D41 PolarHBondContact O-N 3.36Å; F38-D41 PolarHBondContact O-N 3.08Å; D41-K43 VanDerWaalsContact C-N 3.28Å; D41-K43 PolarHBondContact O-N 2.86Å; D41-D44 PolarHBondContact O-N 3.27Å; D41-R45 WeakPolarHBondContact O-CB 3.48Å; D41-R45 WeakPolarHBondContact O-CG 3.48Å; D41-R45 PolarHBondContact O-N 3.49Å; D41-R45 IonicContact OD1-NE 3.32Å; D41-R45 PolarHBondContact OD1-NE 2.58Å; D41-R45 IonicContact OD2-CZ 3.79Å; D41-R45 IonicContact OD2-NE 3.77Å; D41-R45 PolarHBondContact OD2-NE 3.27Å; D41-R45 IonicContact OD2-NH2 2.76Å; D41-R45 PolarHBondContact OD2-NH2 2.97Å
42	L	94.1	Very high	93.3	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-61.2	-37.2	174.2	-69.9	-179	0	0	0	112.6	F38 Q40 D46 V47 F49 I54 E57	F38-L42 HydrophobicContact CD1-CD1 4.22Å; F38-L42 HydrophobicContact CD2-CG 4.39Å; F38-L42 HydrophobicContact CE1-CD1 3.61Å; F38-L42 HydrophobicContact CE1-CG 4.31Å; F38-L42 HydrophobicContact CE2-CD1 4.13Å; F38-L42 HydrophobicContact CE2-CD2 3.98Å; F38-L42 HydrophobicContact CE2-CG 3.98Å; F38-L42 HydrophobicContact CZ-CD1 3.56Å; F38-L42 HydrophobicContact CZ-CD2 4.06Å; F38-L42 HydrophobicContact CZ-CG 3.94Å; F38-L42 WeakPolarHBondContact O-CG 3.36Å; F38-L42 PolarHBondContact O-N 3.1Å; Q40-L42 VanDerWaalsContact C-N 3.3Å; Q40-L42 PolarHBondContact O-N 2.56Å; L42-D46 PolarHBondContact O-N 3.09Å; L42-V47 HydrophobicContact CB-CB 4.43Å; L42-V47 HydrophobicContact CD2-CB 3.97Å; L42-V47 HydrophobicContact CD2-CG1 4Å; L42-V47 HydrophobicContact CD2-CG2 4.07Å; L42-V47 PolarHBondContact O-N 3.01Å; L42-F49 HydrophobicContact CB-CE1 4.38Å; L42-F49 HydrophobicContact CB-CE2 4.25Å; L42-F49 HydrophobicContact CB-CZ 3.72Å; L42-F49 HydrophobicContact CD1-CE1 4.13Å; L42-F49 HydrophobicContact CD1-CZ 4.3Å; L42-I54 HydrophobicContact CD1-CG1 4.16Å; L42-E57 HydrophobicContact CD2-CB 3.8Å; L42-E57 HydrophobicContact CD2-CG 4.06Å
43	K	93.2	Very high	93.3	Very high	98 Å²	98	58.8 Å²	58.8	43%	0.426	31%	0.314	S	S	.	.	H	α-helix	trans	-70.7	-43.9	176.5	-76.6	-175.6	156.8	-171.6	0	112	Y39 Q40 D41 R45 D46 F49	Y39-K43 HydrophobicContact CD1-CD 4.26Å; Y39-K43 HydrophobicContact CE1-CD 3.75Å; Y39-K43 VanDerWaalsContact CE1-CE 3.4Å; Y39-K43 VanDerWaalsContact CZ-CE 3.41Å; Y39-K43 PolarHBondContact O-N 3.15Å; Y39-K43 VanDerWaalsContact OH-CE 3.23Å; Y39-K43 WeakPolarHBondContact OH-CE 3.39Å; Y39-K43 PolarHBondContact OH-NZ 2.75Å; Q40-K43 CarbonylContact O-C 3.35Å; Q40-K43 WeakPolarHBondContact O-CA 3.32Å; Q40-K43 WeakPolarHBondContact O-CB 3.25Å; Q40-K43 PolarHBondContact O-N 3.06Å; D41-K43 VanDerWaalsContact C-N 3.28Å; D41-K43 PolarHBondContact O-N 2.86Å; K43-R45 PolarHBondContact O-N 2.88Å; K43-D46 PolarHBondContact O-N 3.28Å; K43-F49 HydrophobicContact CG-CE2 4.16Å; K43-F49 HydrophobicContact CG-CZ 3.91Å
44	D	94.5	Very high	93.4	Very high	131 Å²	131	56.5 Å²	56.5	70%	0.701	30%	0.297	S	S	*	.	H	α-helix	trans	-64.8	-32.7	-178.8	-67.3	-19	0	0	0	111.4	Q40 D41 D46	Q40-D44 VanDerWaalsContact O-CG 3.29Å; Q40-D44 PolarHBondContact O-N 2.7Å; D41-D44 PolarHBondContact O-N 3.27Å; D44-D46 VanDerWaalsContact C-N 3.34Å
45	R	93.1	Very high	93.3	Very high	118 Å²	118	58.3 Å²	58.3	45%	0.445	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	4.5	175.1	-65.6	-168	-67.9	137.1	-2.7	114.4	D41 K43 V47 E57	D41-R45 WeakPolarHBondContact O-CB 3.48Å; D41-R45 WeakPolarHBondContact O-CG 3.48Å; D41-R45 PolarHBondContact O-N 3.49Å; D41-R45 IonicContact OD1-NE 3.32Å; D41-R45 PolarHBondContact OD1-NE 2.58Å; D41-R45 IonicContact OD2-CZ 3.79Å; D41-R45 IonicContact OD2-NE 3.77Å; D41-R45 PolarHBondContact OD2-NE 3.27Å; D41-R45 IonicContact OD2-NH2 2.76Å; D41-R45 PolarHBondContact OD2-NH2 2.97Å; K43-R45 PolarHBondContact O-N 2.88Å; R45-V47 HydrophobicContact CB-CG2 3.78Å; R45-V47 PolarHBondContact O-N 3.43Å; R45-E57 IonicContact CZ-OE2 3.31Å; R45-E57 VanDerWaalsContact CZ-OE2 3.32Å; R45-E57 IonicContact NH1-OE2 2.7Å; R45-E57 PolarHBondContact NH1-OE2 3.39Å; R45-E57 IonicContact NH2-OE2 2.82Å; R45-E57 PolarHBondContact NH2-OE2 3.14Å
46	D	91.3	Very high	93.1	Very high	148 Å²	148	62.8 Å²	62.8	79%	0.791	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	43.1	-176.8	-160.8	38	0	0	0	113.3	L42 K43 D44	L42-D46 PolarHBondContact O-N 3.09Å; K43-D46 PolarHBondContact O-N 3.28Å; D44-D46 VanDerWaalsContact C-N 3.34Å
47	V	93.1	Very high	93.1	Very high	27 Å²	27	62.8 Å²	62.8	16%	0.164	32%	0.324	C	S	.	.			trans	-77.3	137.8	-177.9	179	0	0	0	0	110.4	L42 R45 F49 T53 E57	L42-V47 HydrophobicContact CB-CB 4.43Å; L42-V47 HydrophobicContact CD2-CB 3.97Å; L42-V47 HydrophobicContact CD2-CG1 4Å; L42-V47 HydrophobicContact CD2-CG2 4.07Å; L42-V47 PolarHBondContact O-N 3.01Å; R45-V47 HydrophobicContact CB-CG2 3.78Å; R45-V47 PolarHBondContact O-N 3.43Å; V47-F49 WeakPolarHBondContact O-CD2 3.48Å; V47-F49 WeakPolarHBondContact O-CE2 3.34Å; V47-F49 PolarHBondContact O-N 3.3Å; V47-T53 HydrophobicContact CG1-CG2 3.5Å; V47-T53 VanDerWaalsContact CG1-CG2 3.5Å; V47-E57 HydrophobicContact CG1-CG 4.28Å
48	T	92	Very high	93.1	Very high	103 Å²	103	57.1 Å²	57.1	63%	0.632	30%	0.303	S	S	*	.			trans	-61.5	121	173.7	-50.5	0	0	0	0	111.9	S50 T53	T48-S50 PolarHBondContact O-N 3.33Å; T48-T53 WeakPolarHBondContact O-CB 3.45Å; T48-T53 WeakPolarHBondContact O-CG2 3.23Å
49	F	92.4	Very high	92.9	Very high	44 Å²	44	59.1 Å²	59.1	19%	0.193	31%	0.313	C	S	.	.			trans	-76.4	66.4	177.5	-79.5	-99.1	0	0	0	112.4	Y39 L42 K43 V47 I54 H97	Y39-F49 AromaticContact CD2-CE1 3.61Å; Y39-F49 HydrophobicContact CD2-CE1 3.61Å; Y39-F49 HydrophobicContact CD2-CZ 4.09Å; Y39-F49 HydrophobicContact CE2-CD1 4.28Å; Y39-F49 AromaticContact CE2-CE1 3.37Å; Y39-F49 HydrophobicContact CE2-CE1 3.37Å; Y39-F49 AromaticContact CE2-CZ 3.86Å; Y39-F49 HydrophobicContact CE2-CZ 3.86Å; L42-F49 HydrophobicContact CB-CE1 4.38Å; L42-F49 HydrophobicContact CB-CE2 4.25Å; L42-F49 HydrophobicContact CB-CZ 3.72Å; L42-F49 HydrophobicContact CD1-CE1 4.13Å; L42-F49 HydrophobicContact CD1-CZ 4.3Å; K43-F49 HydrophobicContact CG-CE2 4.16Å; K43-F49 HydrophobicContact CG-CZ 3.91Å; V47-F49 WeakPolarHBondContact O-CD2 3.48Å; V47-F49 WeakPolarHBondContact O-CE2 3.34Å; V47-F49 PolarHBondContact O-N 3.3Å; F49-I54 HydrophobicContact CB-CD1 4.41Å; F49-I54 HydrophobicContact CD1-CD1 3.92Å; F49-H97 AromaticContact CD1-CE1 3.7Å; F49-H97 AromaticContact CD2-CE1 3.94Å; F49-H97 AromaticContact CG-CE1 3.61Å
50	S	94.1	Very high	92.8	Very high	36 Å²	36	62.7 Å²	62.7	25%	0.252	33%	0.329	S	S	.	.			trans	-105.2	147.3	169.5	92.2	0	0	0	0	110.4	T48 A52 T53 I54	T48-S50 PolarHBondContact O-N 3.33Å; S50-A52 VanDerWaalsContact C-N 3.28Å; S50-A52 PolarHBondContact O-N 3.3Å; S50-T53 PolarHBondContact O-N 3.19Å; S50-T53 VanDerWaalsContact O-N 3.16Å; S50-T53 WeakPolarHBondContact OG-CB 3.37Å; S50-T53 PolarHBondContact OG-N 3.34Å; S50-T53 VanDerWaalsContact OG-N 3.08Å; S50-T53 PolarHBondContact OG-OG1 3.44Å; S50-I54 WeakPolarHBondContact O-CB 3.48Å; S50-I54 VanDerWaalsContact O-CG1 3.27Å; S50-I54 WeakPolarHBondContact O-CG1 3.45Å; S50-I54 PolarHBondContact O-N 3.48Å
51	P	91.5	Very high	92.7	Very high	51 Å²	51	60.1 Å²	60.1	33%	0.331	32%	0.316	S	S	.	.	H	α-helix	trans	-54.1	-43.9	179.1	-27.3	35	0	0	0	112.9	I54 E55 K92 A95	P51-I54 PolarHBondContact O-N 2.83Å; P51-E55 VanDerWaalsContact O-CG 3.27Å; P51-E55 WeakPolarHBondContact O-CG 3Å; P51-E55 PolarHBondContact O-N 3.43Å; P51-K92 HydrophobicContact CB-CG 4.23Å; P51-K92 HydrophobicContact CG-CG 4.38Å; P51-A95 HydrophobicContact CG-CB 3.88Å
52	A	91	Very high	92.6	Very high	59 Å²	59	58 Å²	58	49%	0.488	31%	0.305	S	S	.	.	H	α-helix	trans	-66.8	-40.5	179.5	0	0	0	0	0	112.7	S50 N56	S50-A52 VanDerWaalsContact C-N 3.28Å; S50-A52 PolarHBondContact O-N 3.3Å; A52-N56 PolarHBondContact O-N 3.13Å; A52-N56 PolarHBondContact O-ND2 3.33Å
53	T	93.1	Very high	92.3	Very high	44 Å²	44	65.5 Å²	65.5	27%	0.27	33%	0.334	S	S	.	.	H	α-helix	trans	-65.1	-45.6	176.5	-53.9	0	0	0	0	110.7	V47 T48 S50 E55 N56 E57	V47-T53 HydrophobicContact CG1-CG2 3.5Å; V47-T53 VanDerWaalsContact CG1-CG2 3.5Å; T48-T53 WeakPolarHBondContact O-CB 3.45Å; T48-T53 WeakPolarHBondContact O-CG2 3.23Å; S50-T53 PolarHBondContact O-N 3.19Å; S50-T53 VanDerWaalsContact O-N 3.16Å; S50-T53 WeakPolarHBondContact OG-CB 3.37Å; S50-T53 PolarHBondContact OG-N 3.34Å; S50-T53 VanDerWaalsContact OG-N 3.08Å; S50-T53 PolarHBondContact OG-OG1 3.44Å; T53-E55 VanDerWaalsContact C-N 3.34Å; T53-E55 PolarHBondContact O-N 3.32Å; T53-N56 PolarHBondContact O-N 2.89Å; T53-E57 HydrophobicContact CG2-CG 4.39Å; T53-E57 WeakPolarHBondContact O-CG 3.2Å; T53-E57 PolarHBondContact O-N 3.17Å
54	I	93.9	Very high	91.9	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-63.4	-40.3	179.9	-67.3	168.8	0	0	0	111	F38 L42 F49 S50 P51 E57 L58 L94 A95	F38-I54 HydrophobicContact CE1-CG2 3.92Å; F38-I54 HydrophobicContact CZ-CG2 4.18Å; L42-I54 HydrophobicContact CD1-CG1 4.16Å; F49-I54 HydrophobicContact CB-CD1 4.41Å; F49-I54 HydrophobicContact CD1-CD1 3.92Å; S50-I54 WeakPolarHBondContact O-CB 3.48Å; S50-I54 VanDerWaalsContact O-CG1 3.27Å; S50-I54 WeakPolarHBondContact O-CG1 3.45Å; S50-I54 PolarHBondContact O-N 3.48Å; P51-I54 PolarHBondContact O-N 2.83Å; I54-E57 PolarHBondContact O-N 3.01Å; I54-L58 WeakPolarHBondContact O-CB 3.49Å; I54-L58 PolarHBondContact O-N 3.03Å; I54-L94 HydrophobicContact CD1-CB 3.99Å; I54-L94 HydrophobicContact CG2-CB 4.31Å; I54-L94 HydrophobicContact CG2-CD1 4.11Å; I54-A95 HydrophobicContact CD1-CB 3.84Å
55	E	91.6	Very high	91.5	Very high	42 Å²	42	62.8 Å²	62.8	20%	0.196	32%	0.32	C	S	.	.	H	α-helix	trans	-58.8	-48.8	175.3	-75.2	174.5	-163.3	0	0	111.6	P51 T53 L58 I59 I87 N88 S91	P51-E55 VanDerWaalsContact O-CG 3.27Å; P51-E55 WeakPolarHBondContact O-CG 3Å; P51-E55 PolarHBondContact O-N 3.43Å; T53-E55 VanDerWaalsContact C-N 3.34Å; T53-E55 PolarHBondContact O-N 3.32Å; E55-L58 PolarHBondContact O-N 3.03Å; E55-I59 VanDerWaalsContact O-CG1 3.32Å; E55-I59 WeakPolarHBondContact O-CG1 3.06Å; E55-I59 PolarHBondContact O-N 3.5Å; E55-I87 HydrophobicContact CB-CD1 4.06Å; E55-I87 HydrophobicContact CG-CD1 4.05Å; E55-I87 HydrophobicContact CG-CG1 4.12Å; E55-I87 HydrophobicContact CG-CG2 3.95Å; E55-N88 PolarHBondContact OE1-OD1 2Å; E55-S91 WeakPolarHBondContact CG-OG 3.43Å; E55-S91 PolarHBondContact OE1-OG 2.86Å
56	N	91.2	Very high	90.9	Very high	95 Å²	95	67.3 Å²	67.3	51%	0.508	34%	0.337	S	S	.	.	H	α-helix	trans	-64.5	-43.6	-180	-72.1	-39.8	0	0	0	112.3	A52 T53 I59 K60	A52-N56 PolarHBondContact O-N 3.13Å; A52-N56 PolarHBondContact O-ND2 3.33Å; T53-N56 PolarHBondContact O-N 2.89Å; N56-I59 PolarHBondContact O-N 3.12Å; N56-K60 WeakPolarHBondContact O-CG 3.43Å; N56-K60 PolarHBondContact O-N 2.92Å; N56-K60 VanDerWaalsContact O-N 3.14Å
57	E	93.7	Very high	90.7	Very high	23 Å²	23	63.3 Å²	63.3	11%	0.107	33%	0.331	C	S	.	.	H	α-helix	trans	-68.5	-35.6	177.6	-70.4	-58.3	124.5	0	0	111.9	F38 L42 R45 V47 T53 I54 K60 F61	F38-E57 HydrophobicContact CE2-CB 4.1Å; F38-E57 HydrophobicContact CZ-CB 4.2Å; L42-E57 HydrophobicContact CD2-CB 3.8Å; L42-E57 HydrophobicContact CD2-CG 4.06Å; R45-E57 IonicContact CZ-OE2 3.31Å; R45-E57 VanDerWaalsContact CZ-OE2 3.32Å; R45-E57 IonicContact NH1-OE2 2.7Å; R45-E57 PolarHBondContact NH1-OE2 3.39Å; R45-E57 IonicContact NH2-OE2 2.82Å; R45-E57 PolarHBondContact NH2-OE2 3.14Å; V47-E57 HydrophobicContact CG1-CG 4.28Å; T53-E57 HydrophobicContact CG2-CG 4.39Å; T53-E57 WeakPolarHBondContact O-CG 3.2Å; T53-E57 PolarHBondContact O-N 3.17Å; I54-E57 PolarHBondContact O-N 3.01Å; E57-K60 PolarHBondContact O-N 3.26Å; E57-K60 IonicContact OE1-NZ 2.87Å; E57-K60 PolarHBondContact OE1-NZ 3.22Å; E57-F61 VanDerWaalsContact O-CB 3.3Å; E57-F61 WeakPolarHBondContact O-CB 3.36Å; E57-F61 PolarHBondContact O-N 3.45Å
58	L	93	Very high	90.5	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-65.9	-40.8	176.6	-177.6	59.1	0	0	0	111.5	L35 F38 I54 E55 F61 C62 I76 A78 I87 V90	L35-L58 HydrophobicContact CD2-CD1 4.23Å; F38-L58 HydrophobicContact CD1-CD1 4.03Å; F38-L58 HydrophobicContact CD2-CD1 4.38Å; F38-L58 HydrophobicContact CE1-CB 4.06Å; F38-L58 HydrophobicContact CE1-CD1 3.96Å; F38-L58 HydrophobicContact CE1-CG 4.48Å; F38-L58 HydrophobicContact CE2-CB 4.21Å; F38-L58 HydrophobicContact CE2-CD1 4.33Å; F38-L58 HydrophobicContact CG-CD1 4.22Å; F38-L58 HydrophobicContact CZ-CB 3.65Å; F38-L58 HydrophobicContact CZ-CD1 4.11Å; F38-L58 HydrophobicContact CZ-CG 4.45Å; I54-L58 WeakPolarHBondContact O-CB 3.49Å; I54-L58 PolarHBondContact O-N 3.03Å; E55-L58 PolarHBondContact O-N 3.03Å; L58-F61 PolarHBondContact O-N 2.7Å; L58-C62 VanDerWaalsContact O-CB 3.25Å; L58-C62 WeakPolarHBondContact O-CB 2.9Å; L58-C62 PolarHBondContact O-N 3.26Å; L58-C62 PolarHBondContact O-SG 3.37Å; L58-C62 VanDerWaalsContact O-SG 3.4Å; L58-I76 HydrophobicContact CD1-CD1 4.48Å; L58-I76 HydrophobicContact CD2-CD1 4.1Å; L58-A78 HydrophobicContact CD2-CB 4.21Å; L58-A78 HydrophobicContact CG-CB 3.93Å; L58-I87 HydrophobicContact CD2-CD1 4.13Å; L58-I87 HydrophobicContact CD2-CG1 3.84Å; L58-V90 HydrophobicContact CD2-CB 4.34Å; L58-V90 HydrophobicContact CD2-CG1 3.89Å
59	I	91.4	Very high	90.4	Very high	41 Å²	41	61.8 Å²	61.8	21%	0.21	31%	0.314	C	S	.	.	H	α-helix	trans	-61.2	-46.1	174.2	-68.1	164.2	0	0	0	110.3	E55 N56 F61 C62 R63 I87	E55-I59 VanDerWaalsContact O-CG1 3.32Å; E55-I59 WeakPolarHBondContact O-CG1 3.06Å; E55-I59 PolarHBondContact O-N 3.5Å; N56-I59 PolarHBondContact O-N 3.12Å; I59-F61 PolarHBondContact O-N 3.48Å; I59-C62 PolarHBondContact O-N 3.12Å; I59-R63 PolarHBondContact O-N 3.15Å; I59-I87 HydrophobicContact CD1-CD1 4.25Å; I59-I87 HydrophobicContact CG1-CD1 3.94Å
60	K	91.9	Very high	90.2	Very high	110 Å²	110	63.3 Å²	63.3	48%	0.478	32%	0.324	S	S	.	.	H	α-helix	trans	-60.3	-46.9	176.4	-69.4	174.2	-169.1	169.5	0	111.6	N56 E57 C62 R63	N56-K60 WeakPolarHBondContact O-CG 3.43Å; N56-K60 PolarHBondContact O-N 2.92Å; N56-K60 VanDerWaalsContact O-N 3.14Å; E57-K60 PolarHBondContact O-N 3.26Å; E57-K60 IonicContact OE1-NZ 2.87Å; E57-K60 PolarHBondContact OE1-NZ 3.22Å; K60-C62 VanDerWaalsContact C-N 3.27Å; K60-C62 PolarHBondContact O-N 3.27Å; K60-R63 WeakPolarHBondContact O-CB 3.48Å; K60-R63 PolarHBondContact O-N 2.94Å; K60-R63 VanDerWaalsContact O-N 3.13Å
61	F	92.8	Very high	90	Very high	43 Å²	43	67.6 Å²	67.6	19%	0.189	33%	0.334	C	S	.	.	H	α-helix	trans	-60.5	-39.1	178.3	-163.4	-105.2	0	0	0	111.3	Y34 F38 E57 L58 I59 R63 E64	Y34-F61 HydrophobicContact CD1-CE1 4.48Å; Y34-F61 HydrophobicContact CD2-CE1 4.28Å; Y34-F61 AromaticContact CE1-CD1 3.75Å; Y34-F61 HydrophobicContact CE1-CD1 3.75Å; Y34-F61 AromaticContact CE1-CE1 3.9Å; Y34-F61 HydrophobicContact CE1-CE1 3.9Å; Y34-F61 HydrophobicContact CE2-CD1 4.14Å; Y34-F61 AromaticContact CE2-CE1 3.66Å; Y34-F61 HydrophobicContact CE2-CE1 3.66Å; Y34-F61 AromaticContact CZ-CD1 3.44Å; Y34-F61 VanDerWaalsContact CZ-CD1 3.44Å; Y34-F61 AromaticContact CZ-CE1 3.45Å; Y34-F61 VanDerWaalsContact CZ-CE1 3.45Å; Y34-F61 WeakPolarHBondContact OH-CD1 3.47Å; Y34-F61 PolarHBondContact OH-O 2.68Å; F38-F61 HydrophobicContact CB-CD1 3.99Å; F38-F61 HydrophobicContact CB-CE1 3.84Å; F38-F61 HydrophobicContact CB-CZ 4.32Å; F38-F61 HydrophobicContact CD2-CB 3.86Å; F38-F61 AromaticContact CD2-CD1 3.81Å; F38-F61 HydrophobicContact CD2-CD1 3.81Å; F38-F61 HydrophobicContact CD2-CD2 4.1Å; F38-F61 HydrophobicContact CD2-CE1 4.38Å; F38-F61 AromaticContact CD2-CG 3.66Å; F38-F61 HydrophobicContact CD2-CG 3.66Å; F38-F61 HydrophobicContact CE2-CB 4.05Å; F38-F61 HydrophobicContact CE2-CG 4.34Å; F38-F61 HydrophobicContact CG-CD1 4.25Å; E57-F61 VanDerWaalsContact O-CB 3.3Å; E57-F61 WeakPolarHBondContact O-CB 3.36Å; E57-F61 PolarHBondContact O-N 3.45Å; L58-F61 PolarHBondContact O-N 2.7Å; I59-F61 PolarHBondContact O-N 3.48Å; F61-R63 VanDerWaalsContact C-N 3.31Å; F61-R63 PolarHBondContact O-N 2.82Å; F61-E64 PolarHBondContact O-N 3.5Å
62	C	91.3	Very high	90	Very high	3 Å²	3	65.1 Å²	65.1	2%	0.02	32%	0.319	C	S	.	.	H	α-helix	trans	-68.5	-21.3	177	-83	0	0	0	0	114.9	L58 I59 K60 E64 A65 C73 A78	L58-C62 VanDerWaalsContact O-CB 3.25Å; L58-C62 WeakPolarHBondContact O-CB 2.9Å; L58-C62 PolarHBondContact O-N 3.26Å; L58-C62 PolarHBondContact O-SG 3.37Å; L58-C62 VanDerWaalsContact O-SG 3.4Å; I59-C62 PolarHBondContact O-N 3.12Å; K60-C62 VanDerWaalsContact C-N 3.27Å; K60-C62 PolarHBondContact O-N 3.27Å; C62-E64 VanDerWaalsContact C-N 3.26Å; C62-E64 PolarHBondContact O-N 3.44Å; C62-A65 WeakPolarHBondContact O-CB 3.5Å; C62-A65 PolarHBondContact O-N 3.11Å; C62-C73 WeakPolarHBondContact CA-SG 3.44Å; C62-C73 HydrophobicContact CB-CB 3.55Å; C62-C73 WeakPolarHBondContact CB-SG 3.05Å; C62-C73 WeakPolarHBondContact SG-CB 3.37Å; C62-C73 CovalentContact SG-SG 2.03Å; C62-C73 PolarHBondContact SG-SG 3.28Å; C62-A78 HydrophobicContact CB-CB 4.23Å; C62-A78 WeakPolarHBondContact CB-O 3.41Å; C62-A78 VanDerWaalsContact SG-CB 3.58Å
63	R	88.3	Confident	90.1	Very high	160 Å²	160	62.3 Å²	62.3	60%	0.604	30%	0.295	S	S	*	.	H	α-helix	trans	-68.3	-27.7	174.8	-71.8	176.3	176.7	173.3	4.7	113	I59 K60 F61 D80	I59-R63 PolarHBondContact O-N 3.15Å; K60-R63 WeakPolarHBondContact O-CB 3.48Å; K60-R63 PolarHBondContact O-N 2.94Å; K60-R63 VanDerWaalsContact O-N 3.13Å; F61-R63 VanDerWaalsContact C-N 3.31Å; F61-R63 PolarHBondContact O-N 2.82Å; R63-D80 IonicContact CZ-OD1 2.61Å; R63-D80 IonicContact CZ-OD2 3.04Å; R63-D80 IonicContact NE-OD1 3.89Å; R63-D80 IonicContact NE-OD2 2.72Å; R63-D80 PolarHBondContact NE-OD2 2.9Å; R63-D80 IonicContact NH2-OD1 3.97Å; R63-D80 PolarHBondContact NH2-OD1 3.37Å; R63-D80 IonicContact NH2-OD2 3.95Å; R63-D80 PolarHBondContact NH2-OD2 3.08Å
64	E	85.3	Confident	89.9	Confident	160 Å²	160	66.3 Å²	66.3	75%	0.748	31%	0.306	S	S	*	.	S	Bend	trans	-87.7	-10.9	177.2	-60.1	-173.7	173.3	0	0	112.3	F61 C62	F61-E64 PolarHBondContact O-N 3.5Å; C62-E64 VanDerWaalsContact C-N 3.26Å; C62-E64 PolarHBondContact O-N 3.44Å
65	A	85.7	Confident	89.6	Confident	11 Å²	11	67.7 Å²	67.7	9%	0.091	31%	0.312	C	S	.	.			trans	-64.9	140.9	-178.2	0	0	0	0	0	111.7	Y34 C62 E69 N70	Y34-A65 HydrophobicContact CE2-CB 4.33Å; Y34-A65 WeakPolarHBondContact OH-CB 3.26Å; C62-A65 WeakPolarHBondContact O-CB 3.5Å; C62-A65 PolarHBondContact O-N 3.11Å; A65-E69 HydrophobicContact CB-CB 3.98Å; A65-N70 HydrophobicContact CB-CB 4.27Å
66	R	81.4	Confident	89.6	Confident	214 Å²	214	65.7 Å²	65.7	81%	0.808	30%	0.302	S	S	*	.			trans	-129.2	157.7	176.5	-62.7	-172.2	-177.4	-173.3	1.2	111.8	K68 E69	R66-K68 PolarHBondContact O-N 2.9Å; R66-E69 PolarHBondContact O-N 3.45Å; R66-E69 VanDerWaalsContact O-N 3.16Å
67	G	86.7	Confident	89.5	Confident	64 Å²	64	61.4 Å²	61.4	66%	0.66	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	-120.4	175	0	0	0	0	0	113.5	E69 R71	G67-E69 VanDerWaalsContact C-N 3.27Å; G67-E69 PolarHBondContact O-N 3.04Å; G67-R71 PolarHBondContact O-N 2.9Å
68	K	87.8	Confident	89.3	Confident	66 Å²	66	60.3 Å²	60.3	29%	0.287	28%	0.276	S	S	.	.	H	α-helix	trans	-67	-28.7	-178.1	-59.1	-64.3	-176.2	-178.1	0	112.9	V30 R66 R71 L72 L117 D120	V30-K68 HydrophobicContact CG1-CB 4.19Å; V30-K68 HydrophobicContact CG2-CB 4.25Å; R66-K68 PolarHBondContact O-N 2.9Å; K68-R71 PolarHBondContact O-N 2.99Å; K68-L72 PolarHBondContact O-N 2.91Å; K68-L117 HydrophobicContact CD-CD2 4.38Å; K68-D120 WeakPolarHBondContact CE-OD2 3.34Å; K68-D120 IonicContact NZ-OD2 3.21Å
69	E	90.1	Very high	88.9	Confident	32 Å²	32	61.4 Å²	61.4	15%	0.15	28%	0.283	C	S	.	.	H	α-helix	trans	-75.3	-41.8	-178.1	-57.7	-173.8	157.7	0	0	110.6	V30 Y34 R37 A65 R66 G67 R71 L72 C73 Y119	V30-E69 HydrophobicContact CG1-CG 4.42Å; Y34-E69 HydrophobicContact CD2-CB 3.72Å; Y34-E69 HydrophobicContact CD2-CG 3.68Å; Y34-E69 WeakPolarHBondContact CD2-OE2 3.44Å; Y34-E69 HydrophobicContact CE2-CB 3.65Å; Y34-E69 HydrophobicContact CE2-CG 4.06Å; Y34-E69 WeakPolarHBondContact CE2-OE2 3.44Å; Y34-E69 HydrophobicContact CG-CB 4.44Å; Y34-E69 HydrophobicContact CG-CG 4.45Å; R37-E69 IonicContact CZ-OE1 3.68Å; R37-E69 IonicContact NH2-OE1 2.98Å; R37-E69 PolarHBondContact NH2-OE1 3.48Å; R37-E69 IonicContact NH2-OE2 3.55Å; R37-E69 PolarHBondContact NH2-OE2 3.27Å; A65-E69 HydrophobicContact CB-CB 3.98Å; R66-E69 PolarHBondContact O-N 3.45Å; R66-E69 VanDerWaalsContact O-N 3.16Å; G67-E69 VanDerWaalsContact C-N 3.27Å; G67-E69 PolarHBondContact O-N 3.04Å; E69-R71 PolarHBondContact O-N 2.61Å; E69-L72 WeakPolarHBondContact O-CB 3.02Å; E69-L72 PolarHBondContact O-N 3.38Å; E69-L72 VanDerWaalsContact O-N 3.12Å; E69-C73 PolarHBondContact O-N 3.01Å; E69-C73 PolarHBondContact O-SG 2.83Å; E69-C73 VanDerWaalsContact O-SG 3.35Å; E69-Y119 HydrophobicContact CG-CE1 4Å; E69-Y119 VanDerWaalsContact OE1-CE1 3.25Å; E69-Y119 WeakPolarHBondContact OE1-CE1 3.44Å; E69-Y119 PolarHBondContact OE1-OH 2.72Å
70	N	89.4	Confident	88.1	Confident	76 Å²	76	65 Å²	65	41%	0.406	30%	0.302	S	S	.	.	H	α-helix	trans	-59.7	-39.3	171	-173.6	50.3	0	0	0	111.6	A65 C73 Y74	A65-N70 HydrophobicContact CB-CB 4.27Å; N70-C73 WeakPolarHBondContact O-CB 3.28Å; N70-C73 PolarHBondContact O-N 3.34Å; N70-Y74 PolarHBondContact O-N 3.38Å
71	R	89	Confident	87.1	Confident	125 Å²	125	65.5 Å²	65.5	47%	0.472	31%	0.31	S	S	.	.	H	α-helix	trans	-66.9	-36.3	176	-170.9	166.9	176.6	166.2	-0.1	112.6	G67 K68 E69 Y74 Y75 L117	G67-R71 PolarHBondContact O-N 2.9Å; K68-R71 PolarHBondContact O-N 2.99Å; E69-R71 PolarHBondContact O-N 2.61Å; R71-Y74 PolarHBondContact O-N 2.89Å; R71-Y75 HydrophobicContact CG-CD2 4.27Å; R71-Y75 HydrophobicContact CG-CE2 3.66Å; R71-Y75 PolarHBondContact NE-OH 3.07Å; R71-Y75 PolarHBondContact NH2-OH 2.97Å; R71-Y75 WeakPolarHBondContact O-CD2 3.42Å; R71-Y75 PolarHBondContact O-N 3.12Å; R71-L117 HydrophobicContact CG-CD1 4.47Å; R71-L117 HydrophobicContact CG-CD2 4.18Å
72	L	91.9	Very high	85.9	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.6	-48.5	170.5	172.8	68.9	0	0	0	110.7	V30 C31 Y34 K68 E69 Y74 Y75 I76 I114 L117	V30-L72 HydrophobicContact CG1-CB 4.37Å; V30-L72 HydrophobicContact CG1-CD2 4.28Å; C31-L72 HydrophobicContact CB-CD1 4.15Å; Y34-L72 HydrophobicContact CD1-CD2 3.8Å; Y34-L72 HydrophobicContact CG-CD2 4.02Å; K68-L72 PolarHBondContact O-N 2.91Å; E69-L72 WeakPolarHBondContact O-CB 3.02Å; E69-L72 PolarHBondContact O-N 3.38Å; E69-L72 VanDerWaalsContact O-N 3.12Å; L72-Y74 VanDerWaalsContact C-N 3.26Å; L72-Y74 PolarHBondContact O-N 3.34Å; L72-Y75 PolarHBondContact O-N 3.37Å; L72-I76 HydrophobicContact CD1-CG2 4.06Å; L72-I76 WeakPolarHBondContact O-CG1 3.35Å; L72-I76 PolarHBondContact O-N 2.93Å; L72-I114 HydrophobicContact CD1-CG2 3.72Å; L72-L117 HydrophobicContact CB-CD1 3.85Å; L72-L117 HydrophobicContact CD1-CD1 4.47Å
73	C	92.1	Very high	84.4	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-55.1	-41.9	177.8	-71.7	0	0	0	0	112.3	C62 E69 N70 I76 G77 A78 T79	C62-C73 WeakPolarHBondContact CA-SG 3.44Å; C62-C73 HydrophobicContact CB-CB 3.55Å; C62-C73 WeakPolarHBondContact CB-SG 3.05Å; C62-C73 WeakPolarHBondContact SG-CB 3.37Å; C62-C73 CovalentContact SG-SG 2.03Å; C62-C73 PolarHBondContact SG-SG 3.28Å; E69-C73 PolarHBondContact O-N 3.01Å; E69-C73 PolarHBondContact O-SG 2.83Å; E69-C73 VanDerWaalsContact O-SG 3.35Å; N70-C73 WeakPolarHBondContact O-CB 3.28Å; N70-C73 PolarHBondContact O-N 3.34Å; C73-I76 WeakPolarHBondContact O-CG1 3.44Å; C73-I76 PolarHBondContact O-N 3.29Å; C73-G77 PolarHBondContact O-N 3.44Å; C73-G77 VanDerWaalsContact O-N 3.17Å; C73-A78 PolarHBondContact O-N 3.1Å; C73-T79 HydrophobicContact CB-CG2 4.05Å
74	Y	89	Confident	83.3	Confident	128 Å²	128	65.2 Å²	65.2	50%	0.502	34%	0.34	S	S	.	.	H	α-helix	trans	-60	-47	174	-179.4	-98.5	0	0	0	112.1	N70 R71 L72 I76 G77	N70-Y74 PolarHBondContact O-N 3.38Å; R71-Y74 PolarHBondContact O-N 2.89Å; L72-Y74 VanDerWaalsContact C-N 3.26Å; L72-Y74 PolarHBondContact O-N 3.34Å; Y74-I76 PolarHBondContact O-N 2.91Å; Y74-G77 PolarHBondContact O-N 3.25Å
75	Y	89	Confident	82.5	Confident	28 Å²	28	66.1 Å²	66.1	11%	0.11	34%	0.342	C	S	.	.	H	α-helix	trans	-67.5	-35.3	-179.3	-66.4	-40.7	0	0	0	114.1	R71 L72 G77 Q113 I114 L117	R71-Y75 HydrophobicContact CG-CD2 4.27Å; R71-Y75 HydrophobicContact CG-CE2 3.66Å; R71-Y75 PolarHBondContact NE-OH 3.07Å; R71-Y75 PolarHBondContact NH2-OH 2.97Å; R71-Y75 WeakPolarHBondContact O-CD2 3.42Å; R71-Y75 PolarHBondContact O-N 3.12Å; L72-Y75 PolarHBondContact O-N 3.37Å; Y75-G77 PolarHBondContact O-N 3.26Å; Y75-Q113 HydrophobicContact CE2-CB 4.19Å; Y75-I114 HydrophobicContact CD2-CG1 4.22Å; Y75-I114 HydrophobicContact CG-CG1 4.2Å; Y75-L117 HydrophobicContact CD2-CD1 3.93Å; Y75-L117 HydrophobicContact CE2-CD1 4.03Å; Y75-L117 HydrophobicContact CE2-CD2 4.32Å; Y75-L117 HydrophobicContact CE2-CG 4.27Å
76	I	90.5	Very high	82.2	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-2.4	177	68.4	-178.7	0	0	0	112.8	L35 L58 L72 C73 Y74 A78 I86 I87 V90 L107 I114	L35-I76 HydrophobicContact CD2-CD1 4.5Å; L58-I76 HydrophobicContact CD1-CD1 4.48Å; L58-I76 HydrophobicContact CD2-CD1 4.1Å; L72-I76 HydrophobicContact CD1-CG2 4.06Å; L72-I76 WeakPolarHBondContact O-CG1 3.35Å; L72-I76 PolarHBondContact O-N 2.93Å; C73-I76 WeakPolarHBondContact O-CG1 3.44Å; C73-I76 PolarHBondContact O-N 3.29Å; Y74-I76 PolarHBondContact O-N 2.91Å; I76-A78 HydrophobicContact CD1-CB 4.05Å; I76-A78 HydrophobicContact CG1-CB 3.82Å; I76-I86 CarbonylContact O-C 3.11Å; I76-I87 VanDerWaalsContact O-CA 3.31Å; I76-I87 WeakPolarHBondContact O-CA 3.48Å; I76-I87 PolarHBondContact O-N 3.33Å; I76-V90 HydrophobicContact CB-CG2 4.41Å; I76-V90 HydrophobicContact CG2-CG2 4.46Å; I76-L107 HydrophobicContact CG2-CD1 3.91Å; I76-I114 HydrophobicContact CG2-CD1 4.28Å
77	G	89.2	Confident	82.6	Confident	5 Å²	5	58.5 Å²	58.5	5%	0.052	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	31.8	179.4	0	0	0	0	0	114.1	C73 Y74 Y75	C73-G77 PolarHBondContact O-N 3.44Å; C73-G77 VanDerWaalsContact O-N 3.17Å; Y74-G77 PolarHBondContact O-N 3.25Å; Y75-G77 PolarHBondContact O-N 3.26Å
78	A	90.1	Very high	82.8	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.008	30%	0.295	C	S	.	.			trans	-100.8	19.6	177.8	0	0	0	0	0	112.9	L58 C62 C73 I76 I87	L58-A78 HydrophobicContact CD2-CB 4.21Å; L58-A78 HydrophobicContact CG-CB 3.93Å; C62-A78 HydrophobicContact CB-CB 4.23Å; C62-A78 WeakPolarHBondContact CB-O 3.41Å; C62-A78 VanDerWaalsContact SG-CB 3.58Å; C73-A78 PolarHBondContact O-N 3.1Å; I76-A78 HydrophobicContact CD1-CB 4.05Å; I76-A78 HydrophobicContact CG1-CB 3.82Å; A78-I87 HydrophobicContact CB-CD1 4.04Å; A78-I87 HydrophobicContact CB-CG1 4.45Å
79	T	84.8	Confident	82.9	Confident	23 Å²	23	56.3 Å²	56.3	14%	0.141	29%	0.29	C	S	.	.	S	Bend	trans	-105.4	152.1	170.9	58.6	0	0	0	0	109.9	C73 D81 A82	C73-T79 HydrophobicContact CB-CG2 4.05Å; T79-D81 WeakPolarHBondContact CB-OD1 3.19Å; T79-D81 PolarHBondContact O-N 3.43Å; T79-D81 PolarHBondContact OG1-OD1 3.01Å; T79-A82 PolarHBondContact O-N 3.31Å; T79-A82 VanDerWaalsContact O-N 3.08Å; T79-A82 VanDerWaalsContact OG1-CB 3.31Å; T79-A82 WeakPolarHBondContact OG1-CB 3.43Å
80	D	74.4	Confident	83	Confident	116 Å²	116	54.8 Å²	54.8	62%	0.62	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.6	-175	-64.3	-60.1	0	0	0	113	R63	R63-D80 IonicContact CZ-OD1 2.61Å; R63-D80 IonicContact CZ-OD2 3.04Å; R63-D80 IonicContact NE-OD1 3.89Å; R63-D80 IonicContact NE-OD2 2.72Å; R63-D80 PolarHBondContact NE-OD2 2.9Å; R63-D80 IonicContact NH2-OD1 3.97Å; R63-D80 PolarHBondContact NH2-OD1 3.37Å; R63-D80 IonicContact NH2-OD2 3.95Å; R63-D80 PolarHBondContact NH2-OD2 3.08Å
81	D	70.1	Confident	83.1	Confident	120 Å²	120	51.2 Å²	51.2	64%	0.642	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-8	-179.9	65.5	-43.2	0	0	0	114.6	T79	T79-D81 WeakPolarHBondContact CB-OD1 3.19Å; T79-D81 PolarHBondContact O-N 3.43Å; T79-D81 PolarHBondContact OG1-OD1 3.01Å
82	A	67.3	Low	83.4	Confident	22 Å²	22	50.4 Å²	50.4	18%	0.182	26%	0.263	C	S	.	.	S	Bend	trans	-96	149.5	-170.6	0	0	0	0	0	114.1	T79 T84	T79-A82 PolarHBondContact O-N 3.31Å; T79-A82 VanDerWaalsContact O-N 3.08Å; T79-A82 VanDerWaalsContact OG1-CB 3.31Å; T79-A82 WeakPolarHBondContact OG1-CB 3.43Å; A82-T84 PolarHBondContact O-N 3.33Å; A82-T84 VanDerWaalsContact O-N 3.13Å
83	A	60.9	Low	83.5	Confident	79 Å²	79	51.1 Å²	51.1	65%	0.653	27%	0.268	S	S	*	.			trans	-65.7	113.7	178.6	0	0	0	0	0	110.9	K85	A83-K85 PolarHBondContact O-N 2.97Å
84	T	64.3	Low	83.5	Confident	99 Å²	99	51.1 Å²	51.1	61%	0.607	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	3.5	-176.1	56.9	0	0	0	0	116.1	A82 I87 N88	A82-T84 PolarHBondContact O-N 3.33Å; A82-T84 VanDerWaalsContact O-N 3.13Å; T84-I87 WeakPolarHBondContact O-CG2 3.4Å; T84-N88 PolarHBondContact O-ND2 3.48Å; T84-N88 VanDerWaalsContact O-ND2 3.14Å
85	K	67.8	Low	83.8	Confident	180 Å²	180	45.6 Å²	45.6	78%	0.783	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-27	179.4	-69.6	-172.7	179	180	0	113	A83	A83-K85 PolarHBondContact O-N 2.97Å
86	I	81.3	Confident	84	Confident	62 Å²	62	51 Å²	51	32%	0.318	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-33.2	-175.3	-57.5	-178.6	0	0	0	112.3	I76 N88 E89 L107	I76-I86 CarbonylContact O-C 3.11Å; I86-N88 PolarHBondContact O-N 3.44Å; I86-N88 VanDerWaalsContact O-N 3.08Å; I86-E89 VanDerWaalsContact O-CB 3.31Å; I86-E89 WeakPolarHBondContact O-CB 3.38Å; I86-E89 PolarHBondContact O-N 3.24Å; I86-L107 HydrophobicContact CG2-CD2 4.32Å
87	I	88.8	Confident	84.1	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.015	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-30	-178	-159.1	176.1	0	0	0	112.6	E55 L58 I59 I76 A78 T84 E89 V90 S91	E55-I87 HydrophobicContact CB-CD1 4.06Å; E55-I87 HydrophobicContact CG-CD1 4.05Å; E55-I87 HydrophobicContact CG-CG1 4.12Å; E55-I87 HydrophobicContact CG-CG2 3.95Å; L58-I87 HydrophobicContact CD2-CD1 4.13Å; L58-I87 HydrophobicContact CD2-CG1 3.84Å; I59-I87 HydrophobicContact CD1-CD1 4.25Å; I59-I87 HydrophobicContact CG1-CD1 3.94Å; I76-I87 VanDerWaalsContact O-CA 3.31Å; I76-I87 WeakPolarHBondContact O-CA 3.48Å; I76-I87 PolarHBondContact O-N 3.33Å; A78-I87 HydrophobicContact CB-CD1 4.04Å; A78-I87 HydrophobicContact CB-CG1 4.45Å; T84-I87 WeakPolarHBondContact O-CG2 3.4Å; I87-E89 PolarHBondContact O-N 2.87Å; I87-V90 WeakPolarHBondContact O-CA 3.25Å; I87-V90 WeakPolarHBondContact O-CB 3.11Å; I87-V90 PolarHBondContact O-N 2.73Å; I87-S91 PolarHBondContact O-N 2.6Å; I87-S91 PolarHBondContact O-OG 2.82Å
88	N	90.1	Very high	84.3	Confident	47 Å²	47	59 Å²	59	25%	0.251	31%	0.312	S	S	.	.	H	α-helix	trans	-57.8	-27	173.9	-84.5	-84.8	0	0	0	114	E55 T84 I86 V90 S91 K92	E55-N88 PolarHBondContact OE1-OD1 2Å; T84-N88 PolarHBondContact O-ND2 3.48Å; T84-N88 VanDerWaalsContact O-ND2 3.14Å; I86-N88 PolarHBondContact O-N 3.44Å; I86-N88 VanDerWaalsContact O-N 3.08Å; N88-V90 PolarHBondContact O-N 2.99Å; N88-S91 WeakPolarHBondContact CA-OG 3.48Å; N88-K92 WeakPolarHBondContact O-CB 3.18Å; N88-K92 WeakPolarHBondContact O-CG 3.3Å; N88-K92 PolarHBondContact O-N 2.85Å; N88-K92 WeakPolarHBondContact OD1-CE 3.34Å
89	E	90.7	Very high	84.4	Confident	37 Å²	37	62.6 Å²	62.6	17%	0.173	34%	0.335	C	S	.	.	H	α-helix	trans	-78	-11.7	177.2	-61.5	-69.6	172.8	0	0	112.5	I86 I87 P93 K106 L107 K110	I86-E89 VanDerWaalsContact O-CB 3.31Å; I86-E89 WeakPolarHBondContact O-CB 3.38Å; I86-E89 PolarHBondContact O-N 3.24Å; I87-E89 PolarHBondContact O-N 2.87Å; E89-P93 WeakPolarHBondContact O-CD 3.39Å; E89-P93 VanDerWaalsContact O-CG 3.29Å; E89-P93 WeakPolarHBondContact O-CG 3.22Å; E89-K106 WeakPolarHBondContact OE2-CE 3.25Å; E89-K106 IonicContact OE2-NZ 3.89Å; E89-K106 PolarHBondContact OE2-NZ 3.39Å; E89-L107 HydrophobicContact CB-CD2 4.05Å; E89-K110 VanDerWaalsContact CD-NZ 3.27Å; E89-K110 HydrophobicContact CG-CD 4.03Å; E89-K110 VanDerWaalsContact OE1-CE 3.23Å; E89-K110 WeakPolarHBondContact OE1-CE 3.46Å; E89-K110 IonicContact OE1-NZ 2.68Å; E89-K110 PolarHBondContact OE1-NZ 2.99Å
90	V	92.3	Very high	84.7	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-103.5	-49	173.7	179.4	0	0	0	0	110.2	L35 L58 I76 I87 N88 P93 L94 I103 L107	L35-V90 HydrophobicContact CD1-CG1 4.18Å; L35-V90 HydrophobicContact CD2-CG1 3.94Å; L58-V90 HydrophobicContact CD2-CB 4.34Å; L58-V90 HydrophobicContact CD2-CG1 3.89Å; I76-V90 HydrophobicContact CB-CG2 4.41Å; I76-V90 HydrophobicContact CG2-CG2 4.46Å; I87-V90 WeakPolarHBondContact O-CA 3.25Å; I87-V90 WeakPolarHBondContact O-CB 3.11Å; I87-V90 PolarHBondContact O-N 2.73Å; N88-V90 PolarHBondContact O-N 2.99Å; V90-P93 WeakPolarHBondContact O-CD 3.33Å; V90-L94 HydrophobicContact CG1-CD1 3.69Å; V90-L94 HydrophobicContact CG1-CG 4.32Å; V90-L94 WeakPolarHBondContact O-CB 3.43Å; V90-L94 VanDerWaalsContact O-CG 3.31Å; V90-L94 WeakPolarHBondContact O-CG 3.23Å; V90-L94 PolarHBondContact O-N 3.37Å; V90-I103 HydrophobicContact CB-CG2 4.49Å; V90-I103 HydrophobicContact CG2-CG2 4.18Å; V90-L107 HydrophobicContact CG2-CD1 3.84Å; V90-L107 HydrophobicContact CG2-CD2 4.24Å; V90-L107 HydrophobicContact CG2-CG 4.48Å
91	S	92.5	Very high	85.5	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-63.8	-46.9	-174	66.1	0	0	0	0	113.4	E55 I87 N88 L94 A95	E55-S91 WeakPolarHBondContact CG-OG 3.43Å; E55-S91 PolarHBondContact OE1-OG 2.86Å; I87-S91 PolarHBondContact O-N 2.6Å; I87-S91 PolarHBondContact O-OG 2.82Å; N88-S91 WeakPolarHBondContact CA-OG 3.48Å; S91-L94 PolarHBondContact O-N 3.49Å; S91-A95 WeakPolarHBondContact O-CB 3.5Å; S91-A95 PolarHBondContact O-N 3.37Å
92	K	93.4	Very high	86.5	Confident	108 Å²	108	60.9 Å²	60.9	47%	0.47	32%	0.317	S	S	.	.	H	α-helix	trans	-66	-48.7	-178.5	-60.3	176.4	-179.7	174.8	0	111.9	P51 N88 L94 A95 H96	P51-K92 HydrophobicContact CB-CG 4.23Å; P51-K92 HydrophobicContact CG-CG 4.38Å; N88-K92 WeakPolarHBondContact O-CB 3.18Å; N88-K92 WeakPolarHBondContact O-CG 3.3Å; N88-K92 PolarHBondContact O-N 2.85Å; N88-K92 WeakPolarHBondContact OD1-CE 3.34Å; K92-L94 VanDerWaalsContact C-N 3.34Å; K92-L94 PolarHBondContact O-N 2.86Å; K92-A95 PolarHBondContact O-N 3.15Å; K92-H96 PolarHBondContact O-CD2 3.42Å; K92-H96 PolarHBondContact O-N 3.33Å
93	P	94.3	Very high	87.8	Confident	15 Å²	15	60 Å²	60	10%	0.097	31%	0.309	C	S	.	.	H	α-helix	trans	-61.4	-39.5	175.2	-29.7	41.7	0	0	0	113.6	E89 V90 H96 H97 I98 I103	E89-P93 WeakPolarHBondContact O-CD 3.39Å; E89-P93 VanDerWaalsContact O-CG 3.29Å; E89-P93 WeakPolarHBondContact O-CG 3.22Å; V90-P93 WeakPolarHBondContact O-CD 3.33Å; P93-H96 CarbonylContact O-C 3.5Å; P93-H96 PolarHBondContact O-N 3.38Å; P93-H96 VanDerWaalsContact O-N 3.16Å; P93-H97 PolarHBondContact O-N 3.16Å; P93-I98 HydrophobicContact CB-CB 3.98Å; P93-I98 HydrophobicContact CB-CD1 3.91Å; P93-I98 HydrophobicContact CB-CG1 4.31Å; P93-I98 HydrophobicContact CB-CG2 4.4Å; P93-I98 VanDerWaalsContact O-CB 3.32Å; P93-I98 WeakPolarHBondContact O-CB 3.19Å; P93-I98 WeakPolarHBondContact O-CG1 3.37Å; P93-I98 PolarHBondContact O-N 3.41Å; P93-I103 HydrophobicContact CB-CD1 3.7Å; P93-I103 HydrophobicContact CB-CG1 3.68Å
94	L	93.4	Very high	89.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65	-38.2	177	-77.6	-179.5	0	0	0	112.5	F38 Y39 I54 V90 S91 K92 H96 H97 V100 I103	F38-L94 HydrophobicContact CD1-CD1 4Å; F38-L94 HydrophobicContact CE1-CD1 3.87Å; Y39-L94 HydrophobicContact CD2-CD2 3.94Å; I54-L94 HydrophobicContact CD1-CB 3.99Å; I54-L94 HydrophobicContact CG2-CB 4.31Å; I54-L94 HydrophobicContact CG2-CD1 4.11Å; V90-L94 HydrophobicContact CG1-CD1 3.69Å; V90-L94 HydrophobicContact CG1-CG 4.32Å; V90-L94 WeakPolarHBondContact O-CB 3.43Å; V90-L94 VanDerWaalsContact O-CG 3.31Å; V90-L94 WeakPolarHBondContact O-CG 3.23Å; V90-L94 PolarHBondContact O-N 3.37Å; S91-L94 PolarHBondContact O-N 3.49Å; K92-L94 VanDerWaalsContact C-N 3.34Å; K92-L94 PolarHBondContact O-N 2.86Å; L94-H96 PolarHBondContact O-N 3.26Å; L94-H97 PolarHBondContact O-N 2.95Å; L94-V100 HydrophobicContact CD2-CG2 4.23Å; L94-I103 HydrophobicContact CD2-CD1 3.51Å; L94-I103 HydrophobicContact CG-CD1 3.62Å
95	A	93.7	Very high	90.5	Very high	13 Å²	13	52.5 Å²	52.5	11%	0.107	25%	0.254	C	S	.	.	H	α-helix	trans	-60.1	-28.2	174.7	0	0	0	0	0	112.5	P51 I54 S91 K92 H97	P51-A95 HydrophobicContact CG-CB 3.88Å; I54-A95 HydrophobicContact CD1-CB 3.84Å; S91-A95 WeakPolarHBondContact O-CB 3.5Å; S91-A95 PolarHBondContact O-N 3.37Å; K92-A95 PolarHBondContact O-N 3.15Å; A95-H97 VanDerWaalsContact C-N 3.35Å
96	H	94.3	Very high	91.6	Very high	142 Å²	142	48.7 Å²	48.7	66%	0.657	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	14.1	174.9	-64.4	-62.1	0	0	0	113.5	K92 P93 L94 I98	K92-H96 PolarHBondContact O-CD2 3.42Å; K92-H96 PolarHBondContact O-N 3.33Å; P93-H96 CarbonylContact O-C 3.5Å; P93-H96 PolarHBondContact O-N 3.38Å; P93-H96 VanDerWaalsContact O-N 3.16Å; L94-H96 PolarHBondContact O-N 3.26Å; H96-I98 HydrophobicContact CB-CG1 4.21Å; H96-I98 PolarHBondContact O-N 3.22Å; H96-I98 VanDerWaalsContact O-N 3.15Å
97	H	92.2	Very high	92	Very high	100 Å²	100	45.8 Å²	45.8	46%	0.463	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	30.5	-178.9	-55.8	-74	0	0	0	114.1	Y39 F49 P93 L94 A95	Y39-H97 AromaticContact CE2-ND1 3.82Å; Y39-H97 AromaticContact CZ-ND1 3.85Å; Y39-H97 PolarHBondContact OH-ND1 3.39Å; F49-H97 AromaticContact CD1-CE1 3.7Å; F49-H97 AromaticContact CD2-CE1 3.94Å; F49-H97 AromaticContact CG-CE1 3.61Å; P93-H97 PolarHBondContact O-N 3.16Å; L94-H97 PolarHBondContact O-N 2.95Å; A95-H97 VanDerWaalsContact C-N 3.35Å
98	I	92.8	Very high	92	Very high	72 Å²	72	49 Å²	49	37%	0.369	24%	0.236	S	C	.	.			trans	-66.7	134.1	174.3	-63.2	-176.2	0	0	0	108.6	P93 H96 V100 K102 I103	P93-I98 HydrophobicContact CB-CB 3.98Å; P93-I98 HydrophobicContact CB-CD1 3.91Å; P93-I98 HydrophobicContact CB-CG1 4.31Å; P93-I98 HydrophobicContact CB-CG2 4.4Å; P93-I98 VanDerWaalsContact O-CB 3.32Å; P93-I98 WeakPolarHBondContact O-CB 3.19Å; P93-I98 WeakPolarHBondContact O-CG1 3.37Å; P93-I98 PolarHBondContact O-N 3.41Å; H96-I98 HydrophobicContact CB-CG1 4.21Å; H96-I98 PolarHBondContact O-N 3.22Å; H96-I98 VanDerWaalsContact O-N 3.15Å; I98-V100 PolarHBondContact O-N 3.17Å; I98-K102 HydrophobicContact CG2-CB 4Å; I98-I103 HydrophobicContact CG2-CG1 4.19Å
99	P	92.1	Very high	91.9	Very high	76 Å²	76	54.5 Å²	54.5	49%	0.494	26%	0.258	S	S	.	.			trans	-56.1	139.4	178.4	-25.9	33.9	0	0	0	112.6	E101 K102 I103	P99-E101 WeakPolarHBondContact CB-OE2 3.42Å; P99-E101 PolarHBondContact O-N 3.28Å; P99-K102 WeakPolarHBondContact O-CB 3.33Å; P99-K102 PolarHBondContact O-N 3.43Å; P99-I103 PolarHBondContact O-N 3.13Å
100	V	93.1	Very high	91.7	Very high	11 Å²	11	58.5 Å²	58.5	7%	0.067	28%	0.275	C	S	.	.	H	α-helix	trans	-58.9	-34.2	-175.6	173.2	0	0	0	0	111.9	L35 L94 I98 K102 I103 C104	L35-V100 HydrophobicContact CB-CG1 3.44Å; L35-V100 VanDerWaalsContact CB-CG1 3.44Å; L35-V100 HydrophobicContact CB-CG2 4.26Å; L35-V100 HydrophobicContact CD1-CG1 4.31Å; L35-V100 HydrophobicContact CG-CG1 4.49Å; L94-V100 HydrophobicContact CD2-CG2 4.23Å; I98-V100 PolarHBondContact O-N 3.17Å; V100-K102 PolarHBondContact O-N 3.36Å; V100-I103 WeakPolarHBondContact O-CB 3.48Å; V100-I103 PolarHBondContact O-N 3.25Å; V100-I103 VanDerWaalsContact O-N 3.11Å; V100-C104 PolarHBondContact O-N 2.99Å; V100-C104 PolarHBondContact O-SG 2.89Å
101	E	91.1	Very high	91.5	Very high	96 Å²	96	60.5 Å²	60.5	45%	0.449	29%	0.286	S	S	.	.	H	α-helix	trans	-57.7	-40.4	177.3	-60	80.9	179.6	0	0	111.2	L23 I32 P99 E105	L23-E101 WeakPolarHBondContact CD1-O 3.43Å; I32-E101 HydrophobicContact CD1-CG 4.24Å; I32-E101 HydrophobicContact CG2-CG 4.29Å; P99-E101 WeakPolarHBondContact CB-OE2 3.42Å; P99-E101 PolarHBondContact O-N 3.28Å; E101-E105 WeakPolarHBondContact O-CB 3.46Å; E101-E105 PolarHBondContact O-N 3.21Å
102	K	91.3	Very high	91.2	Very high	117 Å²	117	63.3 Å²	63.3	51%	0.509	31%	0.305	S	S	.	.	H	α-helix	trans	-73.5	-32.9	178.5	-68.5	-66.9	172.2	-166.8	0	112.4	I98 P99 V100 E105 K106	I98-K102 HydrophobicContact CG2-CB 4Å; P99-K102 WeakPolarHBondContact O-CB 3.33Å; P99-K102 PolarHBondContact O-N 3.43Å; V100-K102 PolarHBondContact O-N 3.36Å; K102-E105 IonicContact NZ-OE2 3.12Å; K102-E105 PolarHBondContact NZ-OE2 3Å; K102-E105 PolarHBondContact O-N 2.98Å; K102-K106 PolarHBondContact O-N 3.02Å
103	I	92.7	Very high	90.9	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-64.9	-50.8	173.8	-57.8	178.7	0	0	0	109.5	L35 V90 P93 L94 I98 P99 V100 E105 K106 L107	L35-I103 HydrophobicContact CD1-CG2 4.39Å; V90-I103 HydrophobicContact CB-CG2 4.49Å; V90-I103 HydrophobicContact CG2-CG2 4.18Å; P93-I103 HydrophobicContact CB-CD1 3.7Å; P93-I103 HydrophobicContact CB-CG1 3.68Å; L94-I103 HydrophobicContact CD2-CD1 3.51Å; L94-I103 HydrophobicContact CG-CD1 3.62Å; I98-I103 HydrophobicContact CG2-CG1 4.19Å; P99-I103 PolarHBondContact O-N 3.13Å; V100-I103 WeakPolarHBondContact O-CB 3.48Å; V100-I103 PolarHBondContact O-N 3.25Å; V100-I103 VanDerWaalsContact O-N 3.11Å; I103-E105 VanDerWaalsContact C-N 3.31Å; I103-E105 PolarHBondContact O-N 2.87Å; I103-K106 WeakPolarHBondContact O-CB 2.98Å; I103-K106 PolarHBondContact O-N 3.25Å; I103-L107 HydrophobicContact CG2-CD1 4.28Å; I103-L107 WeakPolarHBondContact O-CG 3.47Å; I103-L107 PolarHBondContact O-N 3.37Å
104	C	91.8	Very high	90.6	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-37.1	176.8	-66.1	0	0	0	0	112.3	C28 C31 I32 V100 K106 L107 K108	C28-C104 HydrophobicContact CB-CB 3.97Å; C31-C104 HydrophobicContact CB-CB 3.96Å; C31-C104 WeakPolarHBondContact CB-SG 3.12Å; C31-C104 WeakPolarHBondContact SG-CB 3.45Å; C31-C104 CovalentContact SG-SG 2.05Å; C31-C104 PolarHBondContact SG-SG 3.43Å; I32-C104 HydrophobicContact CG1-CB 4.05Å; V100-C104 PolarHBondContact O-N 2.99Å; V100-C104 PolarHBondContact O-SG 2.89Å; C104-K106 VanDerWaalsContact C-N 3.32Å; C104-K106 PolarHBondContact O-N 3.05Å; C104-L107 PolarHBondContact O-N 3.09Å; C104-K108 WeakPolarHBondContact O-CB 3.35Å; C104-K108 PolarHBondContact O-N 2.92Å
105	E	91.1	Very high	90.3	Very high	21 Å²	21	62 Å²	62	10%	0.098	30%	0.3	C	S	.	.	H	α-helix	trans	-61.8	-39.4	173.3	-164.5	-171.2	150.1	0	0	111.9	L23 E101 K102 I103 K108	L23-E105 HydrophobicContact CD1-CB 3.99Å; L23-E105 HydrophobicContact CD1-CG 4.46Å; L23-E105 HydrophobicContact CD2-CG 4.43Å; L23-E105 HydrophobicContact CG-CB 4.21Å; L23-E105 HydrophobicContact CG-CG 4.14Å; E101-E105 WeakPolarHBondContact O-CB 3.46Å; E101-E105 PolarHBondContact O-N 3.21Å; K102-E105 IonicContact NZ-OE2 3.12Å; K102-E105 PolarHBondContact NZ-OE2 3Å; K102-E105 PolarHBondContact O-N 2.98Å; I103-E105 VanDerWaalsContact C-N 3.31Å; I103-E105 PolarHBondContact O-N 2.87Å; E105-K108 WeakPolarHBondContact O-CB 3.22Å
106	K	90.6	Very high	90	Very high	100 Å²	100	67.4 Å²	67.4	44%	0.435	32%	0.323	S	S	.	.	H	α-helix	trans	-69.9	-42.4	176.4	-165.3	-174.8	-172.8	-164.3	0	111.6	E89 K102 I103 C104 K108 K109	E89-K106 WeakPolarHBondContact OE2-CE 3.25Å; E89-K106 IonicContact OE2-NZ 3.89Å; E89-K106 PolarHBondContact OE2-NZ 3.39Å; K102-K106 PolarHBondContact O-N 3.02Å; I103-K106 WeakPolarHBondContact O-CB 2.98Å; I103-K106 PolarHBondContact O-N 3.25Å; C104-K106 VanDerWaalsContact C-N 3.32Å; C104-K106 PolarHBondContact O-N 3.05Å; K106-K108 VanDerWaalsContact C-N 3.32Å; K106-K108 PolarHBondContact O-N 3.19Å; K106-K109 WeakPolarHBondContact O-CB 3.39Å; K106-K109 PolarHBondContact O-N 3.27Å
107	L	89.8	Confident	89.6	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-61.1	-40.6	175.7	-72	175.4	0	0	0	111.7	I76 I86 E89 V90 I103 C104 K109 K110 D111 I114	I76-L107 HydrophobicContact CG2-CD1 3.91Å; I86-L107 HydrophobicContact CG2-CD2 4.32Å; E89-L107 HydrophobicContact CB-CD2 4.05Å; V90-L107 HydrophobicContact CG2-CD1 3.84Å; V90-L107 HydrophobicContact CG2-CD2 4.24Å; V90-L107 HydrophobicContact CG2-CG 4.48Å; I103-L107 HydrophobicContact CG2-CD1 4.28Å; I103-L107 WeakPolarHBondContact O-CG 3.47Å; I103-L107 PolarHBondContact O-N 3.37Å; C104-L107 PolarHBondContact O-N 3.09Å; L107-K109 PolarHBondContact O-N 2.76Å; L107-K109 VanDerWaalsContact O-N 3.16Å; L107-K110 WeakPolarHBondContact O-CA 2.97Å; L107-K110 WeakPolarHBondContact O-CB 3.41Å; L107-K110 PolarHBondContact O-N 3.23Å; L107-D111 PolarHBondContact O-N 3.27Å; L107-I114 HydrophobicContact CB-CD1 3.97Å; L107-I114 HydrophobicContact CB-CG2 4.29Å; L107-I114 HydrophobicContact CD2-CD1 4.39Å
108	K	89.1	Confident	89.1	Confident	71 Å²	71	61.6 Å²	61.6	31%	0.309	30%	0.295	S	S	.	.	H	α-helix	trans	-54.1	-35	175.1	-169.1	175.5	-178.6	177.8	0	113.4	L23 D27 C104 E105 K106 K110 D111 S112 C115	L23-K108 HydrophobicContact CD2-CD 4.13Å; D27-K108 IonicContact OD2-NZ 2.67Å; D27-K108 PolarHBondContact OD2-NZ 2.82Å; C104-K108 WeakPolarHBondContact O-CB 3.35Å; C104-K108 PolarHBondContact O-N 2.92Å; E105-K108 WeakPolarHBondContact O-CB 3.22Å; K106-K108 VanDerWaalsContact C-N 3.32Å; K106-K108 PolarHBondContact O-N 3.19Å; K108-K110 VanDerWaalsContact C-N 3.3Å; K108-D111 WeakPolarHBondContact CA-O 3.03Å; K108-D111 CarbonylContact O-C 3.46Å; K108-S112 PolarHBondContact O-N 3.45Å; K108-C115 HydrophobicContact CB-CB 4.27Å; K108-C115 HydrophobicContact CD-CB 3.95Å; K108-C115 HydrophobicContact CG-CB 3.9Å
109	K	88.6	Confident	88.4	Confident	163 Å²	163	60.9 Å²	60.9	71%	0.709	29%	0.288	S	S	*	.	H	α-helix	trans	-73.7	-22.9	178.8	-65.3	177.7	-174.5	174.9	0	112.5	K106 L107	K106-K109 WeakPolarHBondContact O-CB 3.39Å; K106-K109 PolarHBondContact O-N 3.27Å; L107-K109 PolarHBondContact O-N 2.76Å; L107-K109 VanDerWaalsContact O-N 3.16Å
110	K	86.7	Confident	87.3	Confident	121 Å²	121	61.2 Å²	61.2	53%	0.526	29%	0.286	S	S	.	.	H	α-helix	trans	-87.7	-43.8	175.8	-67.6	-171.7	175.9	-125.4	0	111.5	E89 L107 K108	E89-K110 VanDerWaalsContact CD-NZ 3.27Å; E89-K110 HydrophobicContact CG-CD 4.03Å; E89-K110 VanDerWaalsContact OE1-CE 3.23Å; E89-K110 WeakPolarHBondContact OE1-CE 3.46Å; E89-K110 IonicContact OE1-NZ 2.68Å; E89-K110 PolarHBondContact OE1-NZ 2.99Å; L107-K110 WeakPolarHBondContact O-CA 2.97Å; L107-K110 WeakPolarHBondContact O-CB 3.41Å; L107-K110 PolarHBondContact O-N 3.23Å; K108-K110 VanDerWaalsContact C-N 3.3Å
111	D	86.4	Confident	85.9	Confident	42 Å²	42	69.2 Å²	69.2	23%	0.225	32%	0.32	C	S	.	.			trans	-144.5	113.8	178	-173.4	-13.3	0	0	0	109.3	L107 K108 Q113 I114	L107-D111 PolarHBondContact O-N 3.27Å; K108-D111 WeakPolarHBondContact CA-O 3.03Å; K108-D111 CarbonylContact O-C 3.46Å; D111-Q113 PolarHBondContact O-N 2.93Å; D111-Q113 WeakPolarHBondContact OD1-CB 3.32Å; D111-Q113 VanDerWaalsContact OD1-CG 3.24Å; D111-Q113 WeakPolarHBondContact OD1-CG 3.4Å; D111-Q113 PolarHBondContact OD1-N 3.01Å; D111-I114 HydrophobicContact CB-CD1 3.94Å; D111-I114 HydrophobicContact CB-CG1 4.15Å
112	S	87.6	Confident	84.4	Confident	59 Å²	59	73.6 Å²	73.6	41%	0.413	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-25.5	179.2	69.7	0	0	0	0	112.2	K108 I114 C115 E116	K108-S112 PolarHBondContact O-N 3.45Å; S112-I114 PolarHBondContact O-N 3.47Å; S112-C115 PolarHBondContact O-N 3.34Å; S112-C115 VanDerWaalsContact O-N 3.11Å; S112-E116 WeakPolarHBondContact O-CG 3.49Å; S112-E116 PolarHBondContact O-N 3.46Å; S112-E116 PolarHBondContact OG-OE1 2.03Å
113	Q	85.8	Confident	83.1	Confident	88 Å²	88	70 Å²	70	41%	0.411	33%	0.326	S	S	.	.	H	α-helix	trans	-62.8	-30.2	-177.2	-55.6	-169.7	-90.3	0	0	111.7	Y75 D111 C115 E116 L117	Y75-Q113 HydrophobicContact CE2-CB 4.19Å; D111-Q113 PolarHBondContact O-N 2.93Å; D111-Q113 WeakPolarHBondContact OD1-CB 3.32Å; D111-Q113 VanDerWaalsContact OD1-CG 3.24Å; D111-Q113 WeakPolarHBondContact OD1-CG 3.4Å; D111-Q113 PolarHBondContact OD1-N 3.01Å; Q113-C115 VanDerWaalsContact C-N 3.29Å; Q113-C115 PolarHBondContact O-N 2.82Å; Q113-E116 PolarHBondContact O-N 3.4Å; Q113-L117 PolarHBondContact O-N 3.35Å
114	I	88.4	Confident	81.8	Confident	2 Å²	2	73.8 Å²	73.8	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-55.7	-44.8	175.6	-68.8	173.5	0	0	0	111.2	C31 L72 Y75 I76 L107 D111 S112 L117	C31-I114 HydrophobicContact CB-CG2 4.21Å; L72-I114 HydrophobicContact CD1-CG2 3.72Å; Y75-I114 HydrophobicContact CD2-CG1 4.22Å; Y75-I114 HydrophobicContact CG-CG1 4.2Å; I76-I114 HydrophobicContact CG2-CD1 4.28Å; L107-I114 HydrophobicContact CB-CD1 3.97Å; L107-I114 HydrophobicContact CB-CG2 4.29Å; L107-I114 HydrophobicContact CD2-CD1 4.39Å; D111-I114 HydrophobicContact CB-CD1 3.94Å; D111-I114 HydrophobicContact CB-CG1 4.15Å; S112-I114 PolarHBondContact O-N 3.47Å; I114-L117 WeakPolarHBondContact O-CB 3.49Å
115	C	87.6	Confident	80.8	Confident	5 Å²	5	74.5 Å²	74.5	3%	0.034	35%	0.35	C	S	.	.	H	α-helix	trans	-90.3	-9.1	-177.2	-75.3	0	0	0	0	114.2	C28 K108 S112 Q113 L117	C28-C115 HydrophobicContact CB-CB 3.86Å; C28-C115 WeakPolarHBondContact CB-SG 3.4Å; C28-C115 PolarHBondContact N-O 3.32Å; C28-C115 WeakPolarHBondContact SG-CB 3.5Å; C28-C115 CovalentContact SG-SG 2.02Å; C28-C115 PolarHBondContact SG-SG 3.32Å; K108-C115 HydrophobicContact CB-CB 4.27Å; K108-C115 HydrophobicContact CD-CB 3.95Å; K108-C115 HydrophobicContact CG-CB 3.9Å; S112-C115 PolarHBondContact O-N 3.34Å; S112-C115 VanDerWaalsContact O-N 3.11Å; Q113-C115 VanDerWaalsContact C-N 3.29Å; Q113-C115 PolarHBondContact O-N 2.82Å; C115-L117 VanDerWaalsContact C-N 3.32Å
116	E	86.1	Confident	79.7	Confident	126 Å²	126	75.2 Å²	75.2	59%	0.589	36%	0.357	S	S	*	.	H	α-helix	trans	-79.3	-17.8	169.1	-69.5	168.1	-153.8	0	0	112	S112 Q113 K118	S112-E116 WeakPolarHBondContact O-CG 3.49Å; S112-E116 PolarHBondContact O-N 3.46Å; S112-E116 PolarHBondContact OG-OE1 2.03Å; Q113-E116 PolarHBondContact O-N 3.4Å; E116-K118 PolarHBondContact O-N 2.89Å
117	L	85.9	Confident	78.8	Confident	12 Å²	12	75.8 Å²	75.8	6%	0.063	37%	0.369	C	S	.	.			trans	-61.8	117.7	170.3	-67.6	179.7	0	0	0	110.2	V30 K68 R71 L72 Y75 Q113 I114 C115	V30-L117 HydrophobicContact CB-CB 4Å; V30-L117 HydrophobicContact CG1-CB 4.42Å; V30-L117 HydrophobicContact CG2-CB 4.08Å; V30-L117 WeakPolarHBondContact CG2-O 3.46Å; K68-L117 HydrophobicContact CD-CD2 4.38Å; R71-L117 HydrophobicContact CG-CD1 4.47Å; R71-L117 HydrophobicContact CG-CD2 4.18Å; L72-L117 HydrophobicContact CB-CD1 3.85Å; L72-L117 HydrophobicContact CD1-CD1 4.47Å; Y75-L117 HydrophobicContact CD2-CD1 3.93Å; Y75-L117 HydrophobicContact CE2-CD1 4.03Å; Y75-L117 HydrophobicContact CE2-CD2 4.32Å; Y75-L117 HydrophobicContact CE2-CG 4.27Å; Q113-L117 PolarHBondContact O-N 3.35Å; I114-L117 WeakPolarHBondContact O-CB 3.49Å; C115-L117 VanDerWaalsContact C-N 3.32Å
118	K	82.9	Confident	78.2	Confident	109 Å²	109	77.4 Å²	77.4	47%	0.474	38%	0.379	S	S	.	.			trans	-119	145	172.4	-66.2	-177	178.8	-176.9	0	109.2	E116 D120	E116-K118 PolarHBondContact O-N 2.89Å; K118-D120 PolarHBondContact O-N 3.27Å
119	Y	78.2	Confident	77.7	Confident	57 Å²	57	76.8 Å²	76.8	22%	0.224	38%	0.379	C	S	.	.			trans	-60.5	138.3	166.5	-70.3	-69.3	0	0	0	107.4	E29 V30 S33 E69 K121	E29-Y119 HydrophobicContact CG-CD2 3.97Å; E29-Y119 HydrophobicContact CG-CE2 4.44Å; V30-Y119 HydrophobicContact CB-CE2 4.24Å; V30-Y119 HydrophobicContact CG1-CE1 4.33Å; V30-Y119 HydrophobicContact CG2-CD1 4.09Å; V30-Y119 HydrophobicContact CG2-CD2 3.85Å; V30-Y119 HydrophobicContact CG2-CE1 4.15Å; V30-Y119 HydrophobicContact CG2-CE2 3.9Å; V30-Y119 HydrophobicContact CG2-CG 3.94Å; V30-Y119 VanDerWaalsContact CG2-N 3.3Å; S33-Y119 PolarHBondContact OG-OH 3.48Å; E69-Y119 HydrophobicContact CG-CE1 4Å; E69-Y119 VanDerWaalsContact OE1-CE1 3.25Å; E69-Y119 WeakPolarHBondContact OE1-CE1 3.44Å; E69-Y119 PolarHBondContact OE1-OH 2.72Å; Y119-K121 PolarHBondContact O-N 3.12Å
120	D	67.7	Low	77.5	Confident	83 Å²	83	69.2 Å²	69.2	44%	0.444	35%	0.347	S	S	.	.			trans	-60.4	105	172.1	-92.2	-50.6	0	0	0	107	K68 K118 Q122 K140	K68-D120 WeakPolarHBondContact CE-OD2 3.34Å; K68-D120 IonicContact NZ-OD2 3.21Å; K118-D120 PolarHBondContact O-N 3.27Å; D120-Q122 PolarHBondContact O-N 3.34Å; D120-K140 WeakPolarHBondContact OD1-CE 3.31Å; D120-K140 IonicContact OD1-NZ 3.36Å; D120-K140 PolarHBondContact OD1-NZ 3.16Å; D120-K140 IonicContact OD2-NZ 3.45Å
121	K	65.3	Low	77.3	Confident	179 Å²	179	70.9 Å²	70.9	78%	0.778	35%	0.354	S	S	*	.			trans	-51.2	118.8	176.4	-69.9	-171.2	178.3	-170.9	0	106.7	Y119 I123	Y119-K121 PolarHBondContact O-N 3.12Å; K121-I123 PolarHBondContact O-N 3.21Å
122	Q	59.6	Low	77.2	Confident	187 Å²	187	77 Å²	77	87%	0.874	38%	0.378	S	S	*	.			trans	-56.4	119.2	169.9	-68.1	-173	11.5	0	0	105.6	D120 D124	D120-Q122 PolarHBondContact O-N 3.34Å; Q122-D124 PolarHBondContact O-N 3.49Å
123	I	63.9	Low	77.1	Confident	41 Å²	41	74.9 Å²	74.9	21%	0.21	36%	0.362	C	S	.	.			trans	-67.1	111	176	-70	175.9	0	0	0	104.5	K121 L125 V128 L133 E137 I141	K121-I123 PolarHBondContact O-N 3.21Å; I123-L125 VanDerWaalsContact C-N 3.29Å; I123-L125 HydrophobicContact CG2-CD2 3.99Å; I123-L125 PolarHBondContact O-N 2.98Å; I123-V128 HydrophobicContact CG2-CB 4.09Å; I123-V128 HydrophobicContact CG2-CG1 3.51Å; I123-V128 HydrophobicContact CG2-CG2 4.17Å; I123-L133 HydrophobicContact CD1-CD1 4.11Å; I123-L133 HydrophobicContact CD1-CD2 4.29Å; I123-L133 HydrophobicContact CG2-CD1 4Å; I123-E137 HydrophobicContact CD1-CB 3.94Å; I123-I141 HydrophobicContact CB-CD1 4.45Å; I123-I141 HydrophobicContact CB-CG1 4.43Å; I123-I141 HydrophobicContact CD1-CD1 3.91Å; I123-I141 HydrophobicContact CD1-CG1 3.95Å; I123-I141 HydrophobicContact CG2-CD1 4.13Å
124	D	65.5	Low	77.1	Confident	83 Å²	83	78.9 Å²	78.9	44%	0.444	37%	0.374	S	S	.	.			trans	-69.7	94.5	175.2	-179.7	11.3	0	0	0	108.4	Q122 S126 T127 V128	Q122-D124 PolarHBondContact O-N 3.49Å; D124-S126 PolarHBondContact O-N 3.31Å; D124-S126 WeakPolarHBondContact OD1-CB 3.08Å; D124-S126 PolarHBondContact OD1-N 2.95Å; D124-S126 VanDerWaalsContact OD1-N 3.1Å; D124-S126 PolarHBondContact OD1-OG 2.82Å; D124-S126 PolarHBondContact OD2-OG 3.15Å; D124-S126 VanDerWaalsContact OD2-OG 3.08Å; D124-T127 PolarHBondContact O-N 2.98Å; D124-T127 VanDerWaalsContact O-N 3.15Å; D124-T127 PolarHBondContact OD2-OG1 3.14Å; D124-V128 VanDerWaalsContact O-CB 3.32Å; D124-V128 WeakPolarHBondContact O-CB 3.44Å; D124-V128 VanDerWaalsContact O-CG1 3.32Å; D124-V128 WeakPolarHBondContact O-CG1 3.07Å; D124-V128 PolarHBondContact O-N 3.49Å
125	L	70.9	Confident	77	Confident	14 Å²	14	81.4 Å²	81.4	7%	0.073	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-13	-178.6	-62.6	172.2	0	0	0	112.5	I123 L130 I141 W145 M166 A170 A173 R177	I123-L125 VanDerWaalsContact C-N 3.29Å; I123-L125 HydrophobicContact CG2-CD2 3.99Å; I123-L125 PolarHBondContact O-N 2.98Å; L125-L130 HydrophobicContact CD2-CD2 4.05Å; L125-I141 HydrophobicContact CD1-CG2 4.21Å; L125-I141 HydrophobicContact CD2-CD1 3.67Å; L125-I141 HydrophobicContact CD2-CG1 4.16Å; L125-I141 HydrophobicContact CD2-CG2 4.09Å; L125-W145 HydrophobicContact CD1-CH2 3.9Å; L125-W145 HydrophobicContact CD1-CZ2 3.23Å; L125-M166 HydrophobicContact CB-CE 4.39Å; L125-M166 HydrophobicContact CB-SD 4.43Å; L125-A170 HydrophobicContact CD1-CB 4.06Å; L125-A173 HydrophobicContact CB-CB 3.79Å; L125-R177 PolarHBondContact O-NH1 2.97Å
126	S	66.3	Low	76.8	Confident	37 Å²	37	89.3 Å²	89.3	26%	0.259	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-32.4	176.6	71.9	0	0	0	0	112.8	D124	D124-S126 PolarHBondContact O-N 3.31Å; D124-S126 WeakPolarHBondContact OD1-CB 3.08Å; D124-S126 PolarHBondContact OD1-N 2.95Å; D124-S126 VanDerWaalsContact OD1-N 3.1Å; D124-S126 PolarHBondContact OD1-OG 2.82Å; D124-S126 PolarHBondContact OD2-OG 3.15Å; D124-S126 VanDerWaalsContact OD2-OG 3.08Å
127	T	71.4	Confident	76.7	Confident	111 Å²	111	86.2 Å²	86.2	68%	0.681	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	-21.7	-173.2	55.3	0	0	0	0	113.9	D124	D124-T127 PolarHBondContact O-N 2.98Å; D124-T127 VanDerWaalsContact O-N 3.15Å; D124-T127 PolarHBondContact OD2-OG1 3.14Å
128	V	78	Confident	76.7	Confident	36 Å²	36	85.6 Å²	85.6	22%	0.218	41%	0.405	C	S	.	.			trans	-78.5	141.3	-174.9	81.1	0	0	0	0	112.2	I123 D124 L130 L133 R177	I123-V128 HydrophobicContact CG2-CB 4.09Å; I123-V128 HydrophobicContact CG2-CG1 3.51Å; I123-V128 HydrophobicContact CG2-CG2 4.17Å; D124-V128 VanDerWaalsContact O-CB 3.32Å; D124-V128 WeakPolarHBondContact O-CB 3.44Å; D124-V128 VanDerWaalsContact O-CG1 3.32Å; D124-V128 WeakPolarHBondContact O-CG1 3.07Å; D124-V128 PolarHBondContact O-N 3.49Å; V128-L130 HydrophobicContact CG1-CD2 4.25Å; V128-L130 PolarHBondContact O-N 2.94Å; V128-L133 HydrophobicContact CG1-CD1 4.3Å; V128-L133 HydrophobicContact CG2-CD1 4.32Å; V128-L133 HydrophobicContact CG2-CD2 3.86Å; V128-L133 HydrophobicContact CG2-CG 4.17Å; V128-R177 PolarHBondContact O-NH1 3Å; V128-R177 PolarHBondContact O-NH2 3.2Å
129	D	78.8	Confident	76.8	Confident	57 Å²	57	85.4 Å²	85.4	31%	0.305	41%	0.405	S	S	.	.			trans	-85.7	112.2	169.3	-178.8	-1	0	0	0	109.9	K131 K132 L133	D129-K131 PolarHBondContact O-N 3.31Å; D129-K131 VanDerWaalsContact O-N 3.12Å; D129-K131 VanDerWaalsContact OD1-CB 3.25Å; D129-K131 WeakPolarHBondContact OD1-CB 3.08Å; D129-K131 PolarHBondContact OD1-N 3.29Å; D129-K132 HydrophobicContact CB-CB 4.34Å; D129-K132 HydrophobicContact CB-CD 4.02Å; D129-K132 HydrophobicContact CB-CG 4.02Å; D129-K132 PolarHBondContact O-N 3Å; D129-L133 PolarHBondContact O-N 3.2Å
130	L	83.6	Confident	77.1	Confident	5 Å²	5	85.2 Å²	85.2	3%	0.026	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.8	178.2	-60.8	-179.4	0	0	0	112.5	L125 V128 K132 L133 L138 I141 I159 I162 N163 M166	L125-L130 HydrophobicContact CD2-CD2 4.05Å; V128-L130 HydrophobicContact CG1-CD2 4.25Å; V128-L130 PolarHBondContact O-N 2.94Å; L130-K132 VanDerWaalsContact C-N 3.29Å; L130-K132 PolarHBondContact O-N 2.7Å; L130-L133 HydrophobicContact CD2-CD1 3.89Å; L130-L133 PolarHBondContact O-N 2.93Å; L130-L138 HydrophobicContact CB-CD2 4.32Å; L130-L138 HydrophobicContact CD2-CD2 4.26Å; L130-I141 HydrophobicContact CD2-CD1 4.27Å; L130-I159 HydrophobicContact CB-CG1 4.14Å; L130-I159 HydrophobicContact CB-CG2 4.02Å; L130-I159 HydrophobicContact CD1-CG2 4.06Å; L130-I162 HydrophobicContact CD1-CB 4.39Å; L130-I162 HydrophobicContact CD1-CG2 3.8Å; L130-I162 HydrophobicContact CD2-CG2 4.24Å; L130-N163 WeakPolarHBondContact CD1-OD1 3.5Å; L130-M166 HydrophobicContact CD1-CE 3.92Å
131	K	84.1	Confident	77.9	Confident	156 Å²	156	81.6 Å²	81.6	68%	0.678	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-23.7	175.8	-60.7	176.5	-178.7	172.5	0	112.5	D129 K155 I159	D129-K131 PolarHBondContact O-N 3.31Å; D129-K131 VanDerWaalsContact O-N 3.12Å; D129-K131 VanDerWaalsContact OD1-CB 3.25Å; D129-K131 WeakPolarHBondContact OD1-CB 3.08Å; D129-K131 PolarHBondContact OD1-N 3.29Å; K131-K155 WeakPolarHBondContact O-CE 3.43Å; K131-K155 PolarHBondContact O-NZ 3.5Å; K131-I159 HydrophobicContact CG-CD1 4.28Å
132	K	84.6	Confident	78.8	Confident	170 Å²	170	73.2 Å²	73.2	74%	0.739	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-20.3	178.3	-66.8	-178.2	-173.8	174.7	0	113.3	D129 L130	D129-K132 HydrophobicContact CB-CB 4.34Å; D129-K132 HydrophobicContact CB-CD 4.02Å; D129-K132 HydrophobicContact CB-CG 4.02Å; D129-K132 PolarHBondContact O-N 3Å; L130-K132 VanDerWaalsContact C-N 3.29Å; L130-K132 PolarHBondContact O-N 2.7Å
133	L	84.1	Confident	80	Confident	15 Å²	15	69.7 Å²	69.7	8%	0.079	34%	0.336	C	S	.	.	S	Bend	trans	-69.3	150	177.8	-64.8	179	0	0	0	112.1	I123 V128 D129 L130 E137 L138 I141 K155	I123-L133 HydrophobicContact CD1-CD1 4.11Å; I123-L133 HydrophobicContact CD1-CD2 4.29Å; I123-L133 HydrophobicContact CG2-CD1 4Å; V128-L133 HydrophobicContact CG1-CD1 4.3Å; V128-L133 HydrophobicContact CG2-CD1 4.32Å; V128-L133 HydrophobicContact CG2-CD2 3.86Å; V128-L133 HydrophobicContact CG2-CG 4.17Å; D129-L133 PolarHBondContact O-N 3.2Å; L130-L133 HydrophobicContact CD2-CD1 3.89Å; L130-L133 PolarHBondContact O-N 2.93Å; L133-E137 HydrophobicContact CB-CB 4.2Å; L133-E137 HydrophobicContact CD2-CB 4.36Å; L133-L138 HydrophobicContact CB-CD2 3.97Å; L133-L138 HydrophobicContact CB-CG 4.17Å; L133-L138 HydrophobicContact CD1-CD2 3.96Å; L133-I141 HydrophobicContact CD1-CD1 3.86Å; L133-K155 WeakPolarHBondContact O-CE 2.98Å; L133-K155 PolarHBondContact O-NZ 3.33Å
134	R	85.2	Confident	80.8	Confident	171 Å²	171	72.9 Å²	72.9	65%	0.645	35%	0.354	S	S	*	.			trans	-79.6	158.7	171.3	-63.6	173.9	-68.5	177.5	-4.3	110.4	K136 E137 L138	R134-K136 PolarHBondContact O-N 3.33Å; R134-K136 VanDerWaalsContact O-N 3.11Å; R134-E137 VanDerWaalsContact CB-OE2 3.28Å; R134-E137 WeakPolarHBondContact CB-OE2 3.42Å; R134-E137 IonicContact CZ-OE2 2.82Å; R134-E137 PolarHBondContact N-OE2 3.45Å; R134-E137 IonicContact NE-OE2 3.65Å; R134-E137 PolarHBondContact NE-OE2 3.42Å; R134-E137 VanDerWaalsContact NE-OE2 3.12Å; R134-E137 IonicContact NH2-OE1 2.86Å; R134-E137 IonicContact NH2-OE2 3.74Å; R134-E137 WeakPolarHBondContact O-CA 3.27Å; R134-E137 WeakPolarHBondContact O-CB 3.45Å; R134-E137 PolarHBondContact O-N 2.93Å; R134-L138 PolarHBondContact O-N 3.05Å; R134-L138 VanDerWaalsContact O-N 3.08Å
135	V	86.4	Confident	81.5	Confident	55 Å²	55	71 Å²	71	33%	0.333	34%	0.341	S	S	.	.	H	α-helix	trans	-54.3	-35	178	178.4	0	0	0	0	112.2	E137 L138 K139 K155 Y158	V135-E137 VanDerWaalsContact C-N 3.32Å; V135-E137 PolarHBondContact O-N 3.23Å; V135-L138 PolarHBondContact O-N 3.45Å; V135-K139 HydrophobicContact CG1-CD 4.28Å; V135-K139 HydrophobicContact CG1-CG 4.4Å; V135-K139 WeakPolarHBondContact O-CB 3.46Å; V135-K139 WeakPolarHBondContact O-CG 3.41Å; V135-K139 PolarHBondContact O-N 2.05Å; V135-K155 HydrophobicContact CG2-CB 3.96Å; V135-K155 HydrophobicContact CG2-CG 4.07Å; V135-Y158 HydrophobicContact CG1-CD2 4.08Å; V135-Y158 HydrophobicContact CG1-CE2 3.91Å
136	K	83.8	Confident	81.9	Confident	172 Å²	172	73.5 Å²	73.5	75%	0.748	37%	0.369	S	S	*	.	H	α-helix	trans	-62.8	-37.7	175.9	-172.3	177.1	-179	177.4	0	112.8	R134 K140	R134-K136 PolarHBondContact O-N 3.33Å; R134-K136 VanDerWaalsContact O-N 3.11Å; K136-K140 WeakPolarHBondContact O-CB 3.42Å; K136-K140 PolarHBondContact O-N 3.11Å; K136-K140 VanDerWaalsContact O-N 3.15Å
137	E	83.7	Confident	82.7	Confident	60 Å²	60	74.1 Å²	74.1	28%	0.28	37%	0.368	S	S	.	.	H	α-helix	trans	-73.5	-39.4	178.7	-68.6	164.2	121.1	0	0	110.5	I123 L133 R134 V135 K140 I141	I123-E137 HydrophobicContact CD1-CB 3.94Å; L133-E137 HydrophobicContact CB-CB 4.2Å; L133-E137 HydrophobicContact CD2-CB 4.36Å; R134-E137 VanDerWaalsContact CB-OE2 3.28Å; R134-E137 WeakPolarHBondContact CB-OE2 3.42Å; R134-E137 IonicContact CZ-OE2 2.82Å; R134-E137 PolarHBondContact N-OE2 3.45Å; R134-E137 IonicContact NE-OE2 3.65Å; R134-E137 PolarHBondContact NE-OE2 3.42Å; R134-E137 VanDerWaalsContact NE-OE2 3.12Å; R134-E137 IonicContact NH2-OE1 2.86Å; R134-E137 IonicContact NH2-OE2 3.74Å; R134-E137 WeakPolarHBondContact O-CA 3.27Å; R134-E137 WeakPolarHBondContact O-CB 3.45Å; R134-E137 PolarHBondContact O-N 2.93Å; V135-E137 VanDerWaalsContact C-N 3.32Å; V135-E137 PolarHBondContact O-N 3.23Å; E137-K140 PolarHBondContact O-N 2.02Å; E137-I141 WeakPolarHBondContact O-CG1 3.33Å; E137-I141 PolarHBondContact O-N 2.86Å; E137-I141 VanDerWaalsContact O-N 3.12Å
138	L	86.5	Confident	83.1	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-62.9	-44.2	173.3	-61.4	172.5	0	0	0	112.3	L130 L133 R134 V135 K140 I141 L142 K155 I159 I162	L130-L138 HydrophobicContact CB-CD2 4.32Å; L130-L138 HydrophobicContact CD2-CD2 4.26Å; L133-L138 HydrophobicContact CB-CD2 3.97Å; L133-L138 HydrophobicContact CB-CG 4.17Å; L133-L138 HydrophobicContact CD1-CD2 3.96Å; R134-L138 PolarHBondContact O-N 3.05Å; R134-L138 VanDerWaalsContact O-N 3.08Å; V135-L138 PolarHBondContact O-N 3.45Å; L138-K140 VanDerWaalsContact C-N 3.26Å; L138-K140 PolarHBondContact O-N 3.26Å; L138-I141 HydrophobicContact CD2-CD1 4.45Å; L138-I141 PolarHBondContact O-N 3.24Å; L138-L142 PolarHBondContact O-N 3.21Å; L138-K155 HydrophobicContact CD1-CG 3.74Å; L138-I159 HydrophobicContact CD1-CD1 4.39Å; L138-I159 HydrophobicContact CD1-CG1 3.78Å; L138-I159 HydrophobicContact CD2-CG1 4.15Å; L138-I162 HydrophobicContact CB-CD1 3.86Å; L138-I162 HydrophobicContact CD2-CD1 3.64Å; L138-I162 HydrophobicContact CG-CD1 4.34Å
139	K	85.9	Confident	83.4	Confident	105 Å²	105	73.3 Å²	73.3	46%	0.457	36%	0.364	S	S	.	.	H	α-helix	trans	-58.7	-40.7	174.6	-78.6	179.5	176	-172.3	0	112	V135 L142 D143 Y158	V135-K139 HydrophobicContact CG1-CD 4.28Å; V135-K139 HydrophobicContact CG1-CG 4.4Å; V135-K139 WeakPolarHBondContact O-CB 3.46Å; V135-K139 WeakPolarHBondContact O-CG 3.41Å; V135-K139 PolarHBondContact O-N 2.05Å; K139-L142 PolarHBondContact O-N 3.36Å; K139-D143 WeakPolarHBondContact O-CB 3.49Å; K139-D143 PolarHBondContact O-N 2.88Å; K139-Y158 HydrophobicContact CD-CE1 4.24Å; K139-Y158 WeakPolarHBondContact CE-OH 3.43Å; K139-Y158 HydrophobicContact CG-CD1 3.96Å; K139-Y158 HydrophobicContact CG-CE1 3.49Å; K139-Y158 VanDerWaalsContact CG-CE1 3.49Å
140	K	84.4	Confident	83.4	Confident	53 Å²	53	79.9 Å²	79.9	23%	0.23	39%	0.39	C	S	.	.	H	α-helix	trans	-66.1	-37.2	179.4	-173.5	177.4	156.2	-143.9	0	112.5	D120 K136 E137 L138 L142 D143 D144	D120-K140 WeakPolarHBondContact OD1-CE 3.31Å; D120-K140 IonicContact OD1-NZ 3.36Å; D120-K140 PolarHBondContact OD1-NZ 3.16Å; D120-K140 IonicContact OD2-NZ 3.45Å; K136-K140 WeakPolarHBondContact O-CB 3.42Å; K136-K140 PolarHBondContact O-N 3.11Å; K136-K140 VanDerWaalsContact O-N 3.15Å; E137-K140 PolarHBondContact O-N 2.02Å; L138-K140 VanDerWaalsContact C-N 3.26Å; L138-K140 PolarHBondContact O-N 3.26Å; K140-L142 VanDerWaalsContact C-N 3.32Å; K140-L142 PolarHBondContact O-N 3.11Å; K140-D143 PolarHBondContact O-N 2.9Å; K140-D144 WeakPolarHBondContact O-CB 3.27Å; K140-D144 PolarHBondContact O-N 3.24Å
141	I	83.8	Confident	83.3	Confident	7 Å²	7	83.2 Å²	83.2	4%	0.036	43%	0.426	C	S	.	.	H	α-helix	trans	-58.7	-45.3	173.6	-66.7	160	0	0	0	111	I123 L125 L130 L133 E137 L138 W145 I162	I123-I141 HydrophobicContact CB-CD1 4.45Å; I123-I141 HydrophobicContact CB-CG1 4.43Å; I123-I141 HydrophobicContact CD1-CD1 3.91Å; I123-I141 HydrophobicContact CD1-CG1 3.95Å; I123-I141 HydrophobicContact CG2-CD1 4.13Å; L125-I141 HydrophobicContact CD1-CG2 4.21Å; L125-I141 HydrophobicContact CD2-CD1 3.67Å; L125-I141 HydrophobicContact CD2-CG1 4.16Å; L125-I141 HydrophobicContact CD2-CG2 4.09Å; L130-I141 HydrophobicContact CD2-CD1 4.27Å; L133-I141 HydrophobicContact CD1-CD1 3.86Å; E137-I141 WeakPolarHBondContact O-CG1 3.33Å; E137-I141 PolarHBondContact O-N 2.86Å; E137-I141 VanDerWaalsContact O-N 3.12Å; L138-I141 HydrophobicContact CD2-CD1 4.45Å; L138-I141 PolarHBondContact O-N 3.24Å; I141-W145 HydrophobicContact CG2-CD2 4.14Å; I141-W145 HydrophobicContact CG2-CE3 4.11Å; I141-W145 HydrophobicContact CG2-CH2 3.74Å; I141-W145 HydrophobicContact CG2-CZ2 3.77Å; I141-W145 HydrophobicContact CG2-CZ3 3.9Å; I141-W145 PolarHBondContact O-N 3.38Å; I141-I162 HydrophobicContact CB-CD1 4.14Å; I141-I162 HydrophobicContact CD1-CD1 4.13Å; I141-I162 HydrophobicContact CG2-CD1 4.23Å; I141-I162 HydrophobicContact CG2-CG1 4.16Å; I141-I162 HydrophobicContact CG2-CG2 4.14Å
142	L	84.5	Confident	83.4	Confident	3 Å²	3	76.5 Å²	76.5	2%	0.016	40%	0.399	C	S	.	.	H	α-helix	trans	-66.1	-42.6	177.7	-66.3	175	0	0	0	111.5	L138 K139 K140 D144 W145 G146 E147 C149 Y158 K161 I162 L165	L138-L142 PolarHBondContact O-N 3.21Å; K139-L142 PolarHBondContact O-N 3.36Å; K140-L142 VanDerWaalsContact C-N 3.32Å; K140-L142 PolarHBondContact O-N 3.11Å; L142-D144 PolarHBondContact O-N 2.83Å; L142-W145 HydrophobicContact CD2-CE3 4.1Å; L142-W145 HydrophobicContact CD2-CZ3 4.29Å; L142-W145 CarbonylContact O-C 3.2Å; L142-W145 WeakPolarHBondContact O-CA 3.49Å; L142-W145 WeakPolarHBondContact O-CB 3.32Å; L142-W145 PolarHBondContact O-N 2.99Å; L142-W145 VanDerWaalsContact O-N 3.09Å; L142-G146 PolarHBondContact O-N 3.42Å; L142-G146 VanDerWaalsContact O-N 3.17Å; L142-E147 CarbonylContact C-O 3.58Å; L142-E147 WeakPolarHBondContact CB-O 3.41Å; L142-E147 HydrophobicContact CD2-CB 4.44Å; L142-E147 PolarHBondContact O-N 3.22Å; L142-E147 VanDerWaalsContact O-O 3.05Å; L142-C149 HydrophobicContact CD1-CB 3.87Å; L142-Y158 HydrophobicContact CD1-CD1 3.88Å; L142-K161 HydrophobicContact CD2-CG 4.17Å; L142-I162 HydrophobicContact CD1-CG1 4.43Å; L142-I162 HydrophobicContact CD2-CG1 3.64Å; L142-I162 HydrophobicContact CG-CD1 4.38Å; L142-I162 HydrophobicContact CG-CG1 3.8Å; L142-L165 HydrophobicContact CD2-CD1 4.07Å
143	D	83.7	Confident	83.3	Confident	113 Å²	113	72.9 Å²	72.9	60%	0.604	40%	0.4	S	S	*	.	H	α-helix	trans	-62.6	-41	177.7	-163.7	59.5	0	0	0	112.3	K139 K140 W145 G146	K139-D143 WeakPolarHBondContact O-CB 3.49Å; K139-D143 PolarHBondContact O-N 2.88Å; K140-D143 PolarHBondContact O-N 2.9Å; D143-W145 PolarHBondContact O-N 2.75Å; D143-G146 WeakPolarHBondContact O-CA 3.47Å; D143-G146 PolarHBondContact O-N 3.05Å
144	D	80.8	Confident	83.4	Confident	108 Å²	108	78.2 Å²	78.2	58%	0.578	43%	0.425	S	S	*	.	H	α-helix	trans	-62.2	-27.5	174.7	-69.6	-21.3	0	0	0	111.6	K140 L142	K140-D144 WeakPolarHBondContact O-CB 3.27Å; K140-D144 PolarHBondContact O-N 3.24Å; L142-D144 PolarHBondContact O-N 2.83Å
145	W	81	Confident	83.5	Confident	44 Å²	44	73.7 Å²	73.7	17%	0.167	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-2.4	172.3	-61.6	-22.2	0	0	0	114.1	L125 I141 L142 D143 E147 I162 L165 M166 Y169 A170	L125-W145 HydrophobicContact CD1-CH2 3.9Å; L125-W145 HydrophobicContact CD1-CZ2 3.23Å; I141-W145 HydrophobicContact CG2-CD2 4.14Å; I141-W145 HydrophobicContact CG2-CE3 4.11Å; I141-W145 HydrophobicContact CG2-CH2 3.74Å; I141-W145 HydrophobicContact CG2-CZ2 3.77Å; I141-W145 HydrophobicContact CG2-CZ3 3.9Å; I141-W145 PolarHBondContact O-N 3.38Å; L142-W145 HydrophobicContact CD2-CE3 4.1Å; L142-W145 HydrophobicContact CD2-CZ3 4.29Å; L142-W145 CarbonylContact O-C 3.2Å; L142-W145 WeakPolarHBondContact O-CA 3.49Å; L142-W145 WeakPolarHBondContact O-CB 3.32Å; L142-W145 PolarHBondContact O-N 2.99Å; L142-W145 VanDerWaalsContact O-N 3.09Å; D143-W145 PolarHBondContact O-N 2.75Å; W145-E147 HydrophobicContact CB-CB 4.43Å; W145-E147 HydrophobicContact CB-CG 4.14Å; W145-E147 PolarHBondContact O-N 3.08Å; W145-I162 HydrophobicContact CH2-CG2 3.79Å; W145-I162 HydrophobicContact CZ3-CB 4.31Å; W145-I162 HydrophobicContact CZ3-CG1 4.36Å; W145-I162 HydrophobicContact CZ3-CG2 4Å; W145-L165 HydrophobicContact CE3-CB 4.09Å; W145-L165 HydrophobicContact CZ3-CB 3.84Å; W145-M166 HydrophobicContact CH2-CB 4.16Å; W145-M166 HydrophobicContact CH2-CG 4.47Å; W145-Y169 HydrophobicContact CB-CD1 4.31Å; W145-Y169 HydrophobicContact CB-CD2 4.07Å; W145-Y169 HydrophobicContact CB-CE2 4.34Å; W145-Y169 HydrophobicContact CB-CG 4.06Å; W145-Y169 AromaticContact CD2-CD2 3.98Å; W145-Y169 HydrophobicContact CD2-CD2 3.98Å; W145-Y169 HydrophobicContact CD2-CG 4.08Å; W145-Y169 HydrophobicContact CE3-CD2 4.04Å; W145-Y169 HydrophobicContact CG-CD1 4.42Å; W145-Y169 HydrophobicContact CG-CD2 4.02Å; W145-Y169 AromaticContact CG-CG 3.84Å; W145-Y169 HydrophobicContact CG-CG 3.84Å; W145-A170 HydrophobicContact CZ2-CB 4.31Å
146	G	79.8	Confident	83.6	Confident	66 Å²	66	74 Å²	74	68%	0.68	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	18.6	-173.3	0	0	0	0	0	113.7	L142 D143	L142-G146 PolarHBondContact O-N 3.42Å; L142-G146 VanDerWaalsContact O-N 3.17Å; D143-G146 WeakPolarHBondContact O-CA 3.47Å; D143-G146 PolarHBondContact O-N 3.05Å
147	E	83.6	Confident	83.9	Confident	50 Å²	50	67.4 Å²	67.4	23%	0.234	39%	0.387	C	S	.	.			trans	-104	139.6	-176.2	-68.7	-79.9	-175.1	0	0	110	L142 W145 L165 Y169	L142-E147 CarbonylContact C-O 3.58Å; L142-E147 WeakPolarHBondContact CB-O 3.41Å; L142-E147 HydrophobicContact CD2-CB 4.44Å; L142-E147 PolarHBondContact O-N 3.22Å; L142-E147 VanDerWaalsContact O-O 3.05Å; W145-E147 HydrophobicContact CB-CB 4.43Å; W145-E147 HydrophobicContact CB-CG 4.14Å; W145-E147 PolarHBondContact O-N 3.08Å; E147-L165 HydrophobicContact CB-CD1 3.85Å; E147-L165 HydrophobicContact CG-CD1 3.71Å; E147-Y169 HydrophobicContact CG-CE2 3.78Å; E147-Y169 PolarHBondContact OE1-OH 3.47Å
148	T	79	Confident	84.2	Confident	97 Å²	97	65.7 Å²	65.7	60%	0.595	38%	0.378	S	S	*	.			trans	-120.4	128.8	176.6	55.3	0	0	0	0	109.2	K150	T148-K150 PolarHBondContact O-N 3.01Å
149	C	83.3	Confident	84.3	Confident	33 Å²	33	66.9 Å²	66.9	22%	0.223	39%	0.385	C	S	.	.			trans	-84	98.4	174.7	-172.5	0	0	0	0	111	L142 G151 C152 Y158 K161	L142-C149 HydrophobicContact CD1-CB 3.87Å; C149-G151 PolarHBondContact O-N 2.95Å; C149-C152 HydrophobicContact CB-CB 3.7Å; C149-C152 WeakPolarHBondContact CB-SG 3.31Å; C149-C152 WeakPolarHBondContact SG-CB 3.24Å; C149-C152 CovalentContact SG-SG 2Å; C149-C152 PolarHBondContact SG-SG 2.99Å; C149-Y158 HydrophobicContact CB-CD1 4.35Å; C149-Y158 HydrophobicContact CB-CE1 4.21Å; C149-K161 HydrophobicContact CB-CG 4.44Å
150	K	79.9	Confident	84.5	Confident	194 Å²	194	70 Å²	70	84%	0.843	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	114.7	170.2	-65.8	-176.7	-178.9	178.8	0	109.3	T148	T148-K150 PolarHBondContact O-N 3.01Å
151	G	82.1	Confident	84.7	Confident	76 Å²	76	70 Å²	70	78%	0.784	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.2	6.4	177.9	0	0	0	0	0	116	C149 A153	C149-G151 PolarHBondContact O-N 2.95Å; G151-A153 PolarHBondContact O-N 3.48Å; G151-A153 VanDerWaalsContact O-N 3.14Å
152	C	85.5	Confident	84.9	Confident	15 Å²	15	69.6 Å²	69.6	10%	0.101	39%	0.391	C	S	.	.			trans	-74.2	100.8	170.2	-78.9	0	0	0	0	110.7	C149 D157 Y158	C149-C152 HydrophobicContact CB-CB 3.7Å; C149-C152 WeakPolarHBondContact CB-SG 3.31Å; C149-C152 WeakPolarHBondContact SG-CB 3.24Å; C149-C152 CovalentContact SG-SG 2Å; C149-C152 PolarHBondContact SG-SG 2.99Å; C152-D157 HydrophobicContact CB-CB 3.76Å; C152-D157 WeakPolarHBondContact SG-CB 3.16Å; C152-Y158 HydrophobicContact CB-CD1 3.99Å; C152-Y158 HydrophobicContact CB-CD2 3.78Å; C152-Y158 HydrophobicContact CB-CE1 3.67Å; C152-Y158 HydrophobicContact CB-CE2 3.43Å; C152-Y158 VanDerWaalsContact CB-CE2 3.43Å; C152-Y158 HydrophobicContact CB-CG 4.02Å; C152-Y158 WeakPolarHBondContact O-CE2 3.42Å; C152-Y158 PolarHBondContact O-OH 3.05Å; C152-Y158 PolarHBondContact SG-N 3.17Å
153	A	82.1	Confident	85	Confident	93 Å²	93	71.6 Å²	71.6	77%	0.769	40%	0.402	S	S	*	.			trans	-90.6	-37	174.7	0	0	0	0	0	111.2	G151 D157	G151-A153 PolarHBondContact O-N 3.48Å; G151-A153 VanDerWaalsContact O-N 3.14Å; A153-D157 PolarHBondContact N-OD2 2.88Å
154	E	87.4	Confident	85.1	Confident	128 Å²	128	72 Å²	72	60%	0.598	40%	0.4	S	S	*	.	S	Bend	trans	-107.5	159.8	-175.7	-62.8	-166	158.7	0	0	112.8	S156 D157 Y158	E154-S156 WeakPolarHBondContact CB-OG 3.32Å; E154-S156 PolarHBondContact O-N 3.45Å; E154-S156 PolarHBondContact OE2-OG 3.33Å; E154-D157 PolarHBondContact N-OD2 3.19Å; E154-D157 WeakPolarHBondContact O-CB 3.29Å; E154-D157 PolarHBondContact O-N 3.05Å; E154-D157 VanDerWaalsContact O-N 3.13Å; E154-Y158 WeakPolarHBondContact O-CD2 3.31Å
155	K	87	Confident	85.4	Confident	76 Å²	76	67.6 Å²	67.6	33%	0.33	38%	0.377	S	S	.	.	H	α-helix	trans	-57.9	-38.6	176.9	-175.6	-179.1	178.5	174.2	0	112.3	K131 L133 V135 L138 D157 Y158 I159	K131-K155 WeakPolarHBondContact O-CE 3.43Å; K131-K155 PolarHBondContact O-NZ 3.5Å; L133-K155 WeakPolarHBondContact O-CE 2.98Å; L133-K155 PolarHBondContact O-NZ 3.33Å; V135-K155 HydrophobicContact CG2-CB 3.96Å; V135-K155 HydrophobicContact CG2-CG 4.07Å; L138-K155 HydrophobicContact CD1-CG 3.74Å; K155-D157 VanDerWaalsContact C-N 3.29Å; K155-D157 PolarHBondContact O-N 2.94Å; K155-Y158 PolarHBondContact O-N 3.08Å; K155-I159 HydrophobicContact CG-CD1 4.22Å; K155-I159 WeakPolarHBondContact O-CG1 3.46Å; K155-I159 PolarHBondContact O-N 2.87Å
156	S	88.4	Confident	85.5	Confident	61 Å²	61	65.5 Å²	65.5	43%	0.427	37%	0.369	S	S	.	.	H	α-helix	trans	-56.3	-40.6	175.6	41.7	0	0	0	0	112.3	E154 I159 R160	E154-S156 WeakPolarHBondContact CB-OG 3.32Å; E154-S156 PolarHBondContact O-N 3.45Å; E154-S156 PolarHBondContact OE2-OG 3.33Å; S156-I159 PolarHBondContact O-N 2.78Å; S156-R160 PolarHBondContact O-N 3.3Å
157	D	90.1	Very high	85.6	Confident	34 Å²	34	65.6 Å²	65.6	18%	0.182	36%	0.357	C	S	.	.	H	α-helix	trans	-64	-43.9	179.6	-60.8	-45.3	0	0	0	111.7	C152 A153 E154 K155 I159 R160 K161	C152-D157 HydrophobicContact CB-CB 3.76Å; C152-D157 WeakPolarHBondContact SG-CB 3.16Å; A153-D157 PolarHBondContact N-OD2 2.88Å; E154-D157 PolarHBondContact N-OD2 3.19Å; E154-D157 WeakPolarHBondContact O-CB 3.29Å; E154-D157 PolarHBondContact O-N 3.05Å; E154-D157 VanDerWaalsContact O-N 3.13Å; K155-D157 VanDerWaalsContact C-N 3.29Å; K155-D157 PolarHBondContact O-N 2.94Å; D157-I159 VanDerWaalsContact C-N 3.34Å; D157-I159 PolarHBondContact O-N 2.58Å; D157-R160 PolarHBondContact O-N 3.38Å; D157-R160 IonicContact OD1-NH2 3.32Å; D157-R160 PolarHBondContact OD1-NH2 3.16Å; D157-K161 PolarHBondContact O-N 3.34Å
158	Y	89.4	Confident	85.5	Confident	24 Å²	24	70.1 Å²	70.1	9%	0.094	38%	0.376	C	S	.	.	H	α-helix	trans	-62.4	-42.4	176.7	-69.6	-83.8	0	0	0	111.3	V135 K139 L142 C149 C152 E154 K155 K161 I162	V135-Y158 HydrophobicContact CG1-CD2 4.08Å; V135-Y158 HydrophobicContact CG1-CE2 3.91Å; K139-Y158 HydrophobicContact CD-CE1 4.24Å; K139-Y158 WeakPolarHBondContact CE-OH 3.43Å; K139-Y158 HydrophobicContact CG-CD1 3.96Å; K139-Y158 HydrophobicContact CG-CE1 3.49Å; K139-Y158 VanDerWaalsContact CG-CE1 3.49Å; L142-Y158 HydrophobicContact CD1-CD1 3.88Å; C149-Y158 HydrophobicContact CB-CD1 4.35Å; C149-Y158 HydrophobicContact CB-CE1 4.21Å; C152-Y158 HydrophobicContact CB-CD1 3.99Å; C152-Y158 HydrophobicContact CB-CD2 3.78Å; C152-Y158 HydrophobicContact CB-CE1 3.67Å; C152-Y158 HydrophobicContact CB-CE2 3.43Å; C152-Y158 VanDerWaalsContact CB-CE2 3.43Å; C152-Y158 HydrophobicContact CB-CG 4.02Å; C152-Y158 WeakPolarHBondContact O-CE2 3.42Å; C152-Y158 PolarHBondContact O-OH 3.05Å; C152-Y158 PolarHBondContact SG-N 3.17Å; E154-Y158 WeakPolarHBondContact O-CD2 3.31Å; K155-Y158 PolarHBondContact O-N 3.08Å; Y158-K161 PolarHBondContact O-N 3.1Å; Y158-I162 WeakPolarHBondContact O-CB 3.45Å; Y158-I162 WeakPolarHBondContact O-CD1 3.44Å; Y158-I162 VanDerWaalsContact O-CG1 3.23Å; Y158-I162 WeakPolarHBondContact O-CG1 3.42Å; Y158-I162 PolarHBondContact O-N 3.45Å
159	I	89.3	Confident	85.5	Confident	25 Å²	25	69.4 Å²	69.4	13%	0.128	36%	0.363	C	S	.	.	H	α-helix	trans	-62.3	-45.3	177.8	-64.8	171	0	0	0	110.4	L130 K131 L138 K155 S156 D157 K161 I162 N163	L130-I159 HydrophobicContact CB-CG1 4.14Å; L130-I159 HydrophobicContact CB-CG2 4.02Å; L130-I159 HydrophobicContact CD1-CG2 4.06Å; K131-I159 HydrophobicContact CG-CD1 4.28Å; L138-I159 HydrophobicContact CD1-CD1 4.39Å; L138-I159 HydrophobicContact CD1-CG1 3.78Å; L138-I159 HydrophobicContact CD2-CG1 4.15Å; K155-I159 HydrophobicContact CG-CD1 4.22Å; K155-I159 WeakPolarHBondContact O-CG1 3.46Å; K155-I159 PolarHBondContact O-N 2.87Å; S156-I159 PolarHBondContact O-N 2.78Å; D157-I159 VanDerWaalsContact C-N 3.34Å; D157-I159 PolarHBondContact O-N 2.58Å; I159-K161 VanDerWaalsContact C-N 3.35Å; I159-K161 PolarHBondContact O-N 3.07Å; I159-I162 PolarHBondContact O-N 3.37Å; I159-N163 PolarHBondContact O-N 3.19Å
160	R	88.8	Confident	85.2	Confident	169 Å²	169	68.7 Å²	68.7	64%	0.638	36%	0.36	S	S	*	.	H	α-helix	trans	-60.8	-44.8	178.8	-171.6	173.4	64.4	-150	-10.2	111.3	S156 D157 I162 N163 E164	S156-R160 PolarHBondContact O-N 3.3Å; D157-R160 PolarHBondContact O-N 3.38Å; D157-R160 IonicContact OD1-NH2 3.32Å; D157-R160 PolarHBondContact OD1-NH2 3.16Å; R160-I162 VanDerWaalsContact C-N 3.34Å; R160-I162 PolarHBondContact O-N 3.47Å; R160-N163 PolarHBondContact O-N 2.9Å; R160-E164 WeakPolarHBondContact O-CB 3.42Å; R160-E164 PolarHBondContact O-N 3.37Å
161	K	88.8	Confident	84.9	Confident	53 Å²	53	63.2 Å²	63.2	23%	0.23	34%	0.344	C	S	.	.	H	α-helix	trans	-65.5	-38.2	178.4	-168.3	59.8	178.1	174.6	0	112.4	L142 C149 D157 Y158 I159 E164 L165	L142-K161 HydrophobicContact CD2-CG 4.17Å; C149-K161 HydrophobicContact CB-CG 4.44Å; D157-K161 PolarHBondContact O-N 3.34Å; Y158-K161 PolarHBondContact O-N 3.1Å; I159-K161 VanDerWaalsContact C-N 3.35Å; I159-K161 PolarHBondContact O-N 3.07Å; K161-E164 WeakPolarHBondContact CD-OE2 3.5Å; K161-E164 IonicContact NZ-OE1 3.71Å; K161-E164 PolarHBondContact NZ-OE1 3.5Å; K161-E164 IonicContact NZ-OE2 2.82Å; K161-E164 PolarHBondContact NZ-OE2 3.04Å; K161-E164 PolarHBondContact O-N 2.89Å; K161-L165 HydrophobicContact CD-CD1 4.24Å; K161-L165 HydrophobicContact CD-CG 4.45Å; K161-L165 HydrophobicContact CG-CD1 4.08Å; K161-L165 WeakPolarHBondContact O-CB 3.31Å; K161-L165 WeakPolarHBondContact O-CG 3.48Å; K161-L165 PolarHBondContact O-N 2.94Å; K161-L165 VanDerWaalsContact O-N 3.14Å
162	I	88.3	Confident	84.4	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-63	-47.6	175.5	-71.2	164.3	0	0	0	110.4	L130 L138 I141 L142 W145 Y158 I159 R160 E164 L165 M166	L130-I162 HydrophobicContact CD1-CB 4.39Å; L130-I162 HydrophobicContact CD1-CG2 3.8Å; L130-I162 HydrophobicContact CD2-CG2 4.24Å; L138-I162 HydrophobicContact CB-CD1 3.86Å; L138-I162 HydrophobicContact CD2-CD1 3.64Å; L138-I162 HydrophobicContact CG-CD1 4.34Å; I141-I162 HydrophobicContact CB-CD1 4.14Å; I141-I162 HydrophobicContact CD1-CD1 4.13Å; I141-I162 HydrophobicContact CG2-CD1 4.23Å; I141-I162 HydrophobicContact CG2-CG1 4.16Å; I141-I162 HydrophobicContact CG2-CG2 4.14Å; L142-I162 HydrophobicContact CD1-CG1 4.43Å; L142-I162 HydrophobicContact CD2-CG1 3.64Å; L142-I162 HydrophobicContact CG-CD1 4.38Å; L142-I162 HydrophobicContact CG-CG1 3.8Å; W145-I162 HydrophobicContact CH2-CG2 3.79Å; W145-I162 HydrophobicContact CZ3-CB 4.31Å; W145-I162 HydrophobicContact CZ3-CG1 4.36Å; W145-I162 HydrophobicContact CZ3-CG2 4Å; Y158-I162 WeakPolarHBondContact O-CB 3.45Å; Y158-I162 WeakPolarHBondContact O-CD1 3.44Å; Y158-I162 VanDerWaalsContact O-CG1 3.23Å; Y158-I162 WeakPolarHBondContact O-CG1 3.42Å; Y158-I162 PolarHBondContact O-N 3.45Å; I159-I162 PolarHBondContact O-N 3.37Å; R160-I162 VanDerWaalsContact C-N 3.34Å; R160-I162 PolarHBondContact O-N 3.47Å; I162-E164 VanDerWaalsContact C-N 3.33Å; I162-E164 PolarHBondContact O-N 2.88Å; I162-L165 PolarHBondContact O-N 3.16Å; I162-M166 HydrophobicContact CG2-CE 3.84Å; I162-M166 VanDerWaalsContact O-CB 3.26Å; I162-M166 WeakPolarHBondContact O-CB 3.47Å; I162-M166 PolarHBondContact O-N 3.19Å
163	N	86.8	Confident	83.7	Confident	45 Å²	45	68.1 Å²	68.1	24%	0.241	34%	0.344	C	S	.	.	H	α-helix	trans	-61.7	-38.6	178.2	-76.4	-13.8	0	0	0	112.9	L130 I159 R160 L165 P167	L130-N163 WeakPolarHBondContact CD1-OD1 3.5Å; I159-N163 PolarHBondContact O-N 3.19Å; R160-N163 PolarHBondContact O-N 2.9Å; N163-L165 VanDerWaalsContact C-N 3.33Å; N163-L165 PolarHBondContact O-N 3.35Å; N163-P167 VanDerWaalsContact O-CD 3.29Å; N163-P167 WeakPolarHBondContact O-CD 3.48Å
164	E	86.4	Confident	83.3	Confident	121 Å²	121	64.3 Å²	64.3	57%	0.565	31%	0.312	S	S	*	.	H	α-helix	trans	-62	-40.4	176	-173.9	-164	137	0	0	111.9	R160 K161 I162	R160-E164 WeakPolarHBondContact O-CB 3.42Å; R160-E164 PolarHBondContact O-N 3.37Å; K161-E164 WeakPolarHBondContact CD-OE2 3.5Å; K161-E164 IonicContact NZ-OE1 3.71Å; K161-E164 PolarHBondContact NZ-OE1 3.5Å; K161-E164 IonicContact NZ-OE2 2.82Å; K161-E164 PolarHBondContact NZ-OE2 3.04Å; K161-E164 PolarHBondContact O-N 2.89Å; I162-E164 VanDerWaalsContact C-N 3.33Å; I162-E164 PolarHBondContact O-N 2.88Å
165	L	86.7	Confident	82.4	Confident	15 Å²	15	63 Å²	63	8%	0.079	32%	0.318	C	S	.	.	H	α-helix	trans	-91	-16.5	-175.9	-65.5	177.7	0	0	0	113.6	L142 W145 E147 K161 I162 N163 K168 Y169	L142-L165 HydrophobicContact CD2-CD1 4.07Å; W145-L165 HydrophobicContact CE3-CB 4.09Å; W145-L165 HydrophobicContact CZ3-CB 3.84Å; E147-L165 HydrophobicContact CB-CD1 3.85Å; E147-L165 HydrophobicContact CG-CD1 3.71Å; K161-L165 HydrophobicContact CD-CD1 4.24Å; K161-L165 HydrophobicContact CD-CG 4.45Å; K161-L165 HydrophobicContact CG-CD1 4.08Å; K161-L165 WeakPolarHBondContact O-CB 3.31Å; K161-L165 WeakPolarHBondContact O-CG 3.48Å; K161-L165 PolarHBondContact O-N 2.94Å; K161-L165 VanDerWaalsContact O-N 3.14Å; I162-L165 PolarHBondContact O-N 3.16Å; N163-L165 VanDerWaalsContact C-N 3.33Å; N163-L165 PolarHBondContact O-N 3.35Å; L165-K168 WeakPolarHBondContact O-CB 3.38Å; L165-K168 PolarHBondContact O-N 2.89Å; L165-Y169 HydrophobicContact CB-CD2 3.94Å; L165-Y169 HydrophobicContact CB-CE2 4.1Å; L165-Y169 HydrophobicContact CD1-CE2 4.43Å; L165-Y169 HydrophobicContact CD2-CE2 4.15Å; L165-Y169 HydrophobicContact CG-CE2 4.46Å; L165-Y169 WeakPolarHBondContact O-CD2 3.4Å; L165-Y169 PolarHBondContact O-N 3.47Å; L165-Y169 VanDerWaalsContact O-N 3.13Å
166	M	83.3	Confident	81.5	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-57.3	-42.4	-176.6	-167.4	-178.8	-60.4	0	0	113.5	L125 L130 W145 I162 K168 Y169 A170 A173 A174 R177	L125-M166 HydrophobicContact CB-CE 4.39Å; L125-M166 HydrophobicContact CB-SD 4.43Å; L130-M166 HydrophobicContact CD1-CE 3.92Å; W145-M166 HydrophobicContact CH2-CB 4.16Å; W145-M166 HydrophobicContact CH2-CG 4.47Å; I162-M166 HydrophobicContact CG2-CE 3.84Å; I162-M166 VanDerWaalsContact O-CB 3.26Å; I162-M166 WeakPolarHBondContact O-CB 3.47Å; I162-M166 PolarHBondContact O-N 3.19Å; M166-K168 PolarHBondContact O-N 2.89Å; M166-Y169 PolarHBondContact O-N 2.91Å; M166-A170 HydrophobicContact CG-CB 4.23Å; M166-A170 CarbonylContact O-C 3.51Å; M166-A170 VanDerWaalsContact O-CA 3.29Å; M166-A170 WeakPolarHBondContact O-CA 3.16Å; M166-A170 PolarHBondContact O-N 2.69Å; M166-A173 HydrophobicContact SD-CB 4.45Å; M166-A174 HydrophobicContact CG-CB 4.19Å; M166-R177 VanDerWaalsContact SD-CD 3.59Å
167	P	81.7	Confident	80.4	Confident	68 Å²	68	60.9 Å²	60.9	44%	0.442	31%	0.311	S	S	.	.	H	α-helix	trans	-61.3	-29.2	176.6	-23.5	34.4	0	0	0	113.6	N163 A174	N163-P167 VanDerWaalsContact O-CD 3.29Å; N163-P167 WeakPolarHBondContact O-CD 3.48Å; P167-A174 HydrophobicContact CB-CB 4.21Å; P167-A174 HydrophobicContact CG-CB 4.1Å
168	K	81.4	Confident	79	Confident	144 Å²	144	65.9 Å²	65.9	63%	0.626	34%	0.343	S	S	*	.	H	α-helix	trans	-80.3	-44.7	-178.3	-174.7	-175.9	176.4	-161.5	0	112.2	L165 M166	L165-K168 WeakPolarHBondContact O-CB 3.38Å; L165-K168 PolarHBondContact O-N 2.89Å; M166-K168 PolarHBondContact O-N 2.89Å
169	Y	79.6	Confident	77.5	Confident	82 Å²	82	70 Å²	70	32%	0.322	37%	0.367	S	S	.	.	H	α-helix	trans	-99.4	-22.1	-173.2	-63.6	-70.5	0	0	0	113.9	W145 E147 L165 M166	W145-Y169 HydrophobicContact CB-CD1 4.31Å; W145-Y169 HydrophobicContact CB-CD2 4.07Å; W145-Y169 HydrophobicContact CB-CE2 4.34Å; W145-Y169 HydrophobicContact CB-CG 4.06Å; W145-Y169 AromaticContact CD2-CD2 3.98Å; W145-Y169 HydrophobicContact CD2-CD2 3.98Å; W145-Y169 HydrophobicContact CD2-CG 4.08Å; W145-Y169 HydrophobicContact CE3-CD2 4.04Å; W145-Y169 HydrophobicContact CG-CD1 4.42Å; W145-Y169 HydrophobicContact CG-CD2 4.02Å; W145-Y169 AromaticContact CG-CG 3.84Å; W145-Y169 HydrophobicContact CG-CG 3.84Å; E147-Y169 HydrophobicContact CG-CE2 3.78Å; E147-Y169 PolarHBondContact OE1-OH 3.47Å; L165-Y169 HydrophobicContact CB-CD2 3.94Å; L165-Y169 HydrophobicContact CB-CE2 4.1Å; L165-Y169 HydrophobicContact CD1-CE2 4.43Å; L165-Y169 HydrophobicContact CD2-CE2 4.15Å; L165-Y169 HydrophobicContact CG-CE2 4.46Å; L165-Y169 WeakPolarHBondContact O-CD2 3.4Å; L165-Y169 PolarHBondContact O-N 3.47Å; L165-Y169 VanDerWaalsContact O-N 3.13Å; M166-Y169 PolarHBondContact O-N 2.91Å
170	A	76.9	Confident	75.5	Confident	19 Å²	19	76.1 Å²	76.1	16%	0.157	40%	0.399	C	S	.	.			trans	-139.9	62.7	-179.3	0	0	0	0	0	111.4	L125 W145 M166 K172 A173 A174	L125-A170 HydrophobicContact CD1-CB 4.06Å; W145-A170 HydrophobicContact CZ2-CB 4.31Å; M166-A170 HydrophobicContact CG-CB 4.23Å; M166-A170 CarbonylContact O-C 3.51Å; M166-A170 VanDerWaalsContact O-CA 3.29Å; M166-A170 WeakPolarHBondContact O-CA 3.16Å; M166-A170 PolarHBondContact O-N 2.69Å; A170-K172 VanDerWaalsContact C-N 3.28Å; A170-K172 PolarHBondContact O-N 3.35Å; A170-A173 HydrophobicContact CB-CB 3.95Å; A170-A173 WeakPolarHBondContact O-CB 3.49Å; A170-A173 PolarHBondContact O-N 3.08Å; A170-A174 PolarHBondContact O-N 2.79Å
171	P	72.5	Confident	74.9	Confident	79 Å²	79	71.5 Å²	71.5	51%	0.513	39%	0.387	S	S	.	.	H	α-helix	trans	-58.8	-36.7	-174.1	21.5	-33.2	0	0	0	113.3	A173 A174 S175	P171-A173 VanDerWaalsContact C-N 3.33Å; P171-A173 PolarHBondContact O-N 3.4Å; P171-A174 PolarHBondContact O-N 3.14Å; P171-S175 PolarHBondContact O-N 3.13Å; P171-S175 PolarHBondContact O-OG 3.05Å; P171-S175 VanDerWaalsContact O-OG 3.11Å
172	K	72.3	Confident	74.1	Confident	183 Å²	183	72.5 Å²	72.5	80%	0.796	40%	0.395	S	S	*	.	H	α-helix	trans	-64.2	-36.2	175.5	-66.7	-176.7	178.8	179.6	0	112.7	A170 S175 A176	A170-K172 VanDerWaalsContact C-N 3.28Å; A170-K172 PolarHBondContact O-N 3.35Å; K172-S175 WeakPolarHBondContact CA-OG 3.23Å; K172-S175 PolarHBondContact O-OG 2.67Å; K172-A176 WeakPolarHBondContact O-CB 3.18Å; K172-A176 PolarHBondContact O-N 2.68Å
173	A	71.6	Confident	73.3	Confident	10 Å²	10	76.5 Å²	76.5	8%	0.083	42%	0.417	C	S	.	.	H	α-helix	trans	-73.5	-45.2	176.1	0	0	0	0	0	110.4	L125 M166 A170 P171 S175 A176 R177	L125-A173 HydrophobicContact CB-CB 3.79Å; M166-A173 HydrophobicContact SD-CB 4.45Å; A170-A173 HydrophobicContact CB-CB 3.95Å; A170-A173 WeakPolarHBondContact O-CB 3.49Å; A170-A173 PolarHBondContact O-N 3.08Å; P171-A173 VanDerWaalsContact C-N 3.33Å; P171-A173 PolarHBondContact O-N 3.4Å; A173-S175 VanDerWaalsContact C-N 3.29Å; A173-S175 PolarHBondContact O-N 3.04Å; A173-A176 PolarHBondContact O-N 2.84Å; A173-R177 WeakPolarHBondContact O-CG 3.49Å; A173-R177 PolarHBondContact O-N 2.95Å
174	A	72.1	Confident	72.5	Confident	13 Å²	13	78.4 Å²	78.4	11%	0.107	43%	0.427	C	S	.	.	H	α-helix	trans	-56.8	-42.1	176.8	0	0	0	0	0	112.2	M166 P167 A170 P171 A176 R177 L180	M166-A174 HydrophobicContact CG-CB 4.19Å; P167-A174 HydrophobicContact CB-CB 4.21Å; P167-A174 HydrophobicContact CG-CB 4.1Å; A170-A174 PolarHBondContact O-N 2.79Å; P171-A174 PolarHBondContact O-N 3.14Å; A174-A176 VanDerWaalsContact C-N 3.31Å; A174-A176 PolarHBondContact O-N 2.86Å; A174-R177 PolarHBondContact O-N 2.92Å; A174-L180 HydrophobicContact CB-CD1 4.46Å
175	S	69.3	Low	71.7	Confident	101 Å²	101	75.7 Å²	75.7	71%	0.706	42%	0.419	S	S	*	.	H	α-helix	trans	-70.3	-23.9	176.7	57.7	0	0	0	0	114.4	P171 K172 A173	P171-S175 PolarHBondContact O-N 3.13Å; P171-S175 PolarHBondContact O-OG 3.05Å; P171-S175 VanDerWaalsContact O-OG 3.11Å; K172-S175 WeakPolarHBondContact CA-OG 3.23Å; K172-S175 PolarHBondContact O-OG 2.67Å; A173-S175 VanDerWaalsContact C-N 3.29Å; A173-S175 PolarHBondContact O-N 3.04Å
176	A	67.6	Low	70.7	Confident	60 Å²	60	79.7 Å²	79.7	50%	0.496	44%	0.442	S	S	.	.	H	α-helix	trans	-84	-17.9	179.2	0	0	0	0	0	112.4	K172 A173 A174	K172-A176 WeakPolarHBondContact O-CB 3.18Å; K172-A176 PolarHBondContact O-N 2.68Å; A173-A176 PolarHBondContact O-N 2.84Å; A174-A176 VanDerWaalsContact C-N 3.31Å; A174-A176 PolarHBondContact O-N 2.86Å
177	R	66.2	Low	69.8	Low	33 Å²	33	85.4 Å²	85.4	13%	0.125	47%	0.473	C	S	.	.			trans	-86.8	125.4	178.5	-63.3	-168.6	82.1	87.9	12.8	110.4	L125 V128 M166 A173 A174 D179	L125-R177 PolarHBondContact O-NH1 2.97Å; V128-R177 PolarHBondContact O-NH1 3Å; V128-R177 PolarHBondContact O-NH2 3.2Å; M166-R177 VanDerWaalsContact SD-CD 3.59Å; A173-R177 WeakPolarHBondContact O-CG 3.49Å; A173-R177 PolarHBondContact O-N 2.95Å; A174-R177 PolarHBondContact O-N 2.92Å; R177-D179 IonicContact CZ-OD2 2.87Å; R177-D179 IonicContact NE-OD2 3.19Å; R177-D179 IonicContact NH2-OD2 2.73Å; R177-D179 PolarHBondContact NH2-OD2 3.46Å; R177-D179 PolarHBondContact O-N 3.12Å
178	T	60.5	Low	68.9	Low	138 Å²	138	86.7 Å²	86.7	85%	0.847	48%	0.475	S	S	*	.	S	Bend	trans	-84.1	7.4	171.3	44.3	0	0	0	0	113.4
179	D	56.9	Low	67.8	Low	112 Å²	112	81.9 Å²	81.9	60%	0.599	46%	0.463	S	S	*	.			trans	-98.5	3.3	-169.2	-55.3	-37.5	0	0	0	114.3	R177	R177-D179 IonicContact CZ-OD2 2.87Å; R177-D179 IonicContact NE-OD2 3.19Å; R177-D179 IonicContact NH2-OD2 2.73Å; R177-D179 PolarHBondContact NH2-OD2 3.46Å; R177-D179 PolarHBondContact O-N 3.12Å
180	L	48.5	Very low	66.8	Low	153 Å²	153	81.9 Å²	81.9	80%	0.801	48%	0.475	S	S	*	.			trans	-94.2	0	-179.2	-84.5	166.8	0	0	0	111.8	A174	A174-L180 HydrophobicContact CB-CD1 4.46Å

Retrieved 180 of 180 residues in 39.9 ms (Link to these results)

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