A0A5K4FC30_SCHMA Loading...

Annexin

AlphaFold DB , UniProt , Accession A0A5K4FC30, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 167 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	23.2	Very low	25	Very low	216 Å²	216	156.4 Å²	156.4	100%	1.064	81%	0.809	S	S	*	*				0	95.4	0	-162.7	172.4	-177.1	0	0	106.4
2	I	23.3	Very low	24.8	Very low	158 Å²	158	157.8 Å²	157.8	81%	0.81	81%	0.809	S	S	*	*			trans	-116.3	118.6	-178.1	-61.6	172.6	0	0	0	104.9	Q4	I2-Q4 PolarHBondContact O-N 3.47Å; I2-Q4 VanDerWaalsContact O-N 3.09Å
3	F	23.3	Very low	24.6	Very low	176 Å²	176	158.8 Å²	158.8	77%	0.772	82%	0.815	S	S	*	*			trans	-71.3	99.3	176.5	-75	-90.5	0	0	0	108.4	L5	F3-L5 PolarHBondContact O-N 3.33Å
4	Q	22.6	Very low	24.3	Very low	169 Å²	169	159 Å²	159	79%	0.79	81%	0.814	S	S	*	*			trans	-75.1	98.7	163.8	-78.7	179.4	-22	0	0	107.3	I2 H6	I2-Q4 PolarHBondContact O-N 3.47Å; I2-Q4 VanDerWaalsContact O-N 3.09Å; Q4-H6 PolarHBondContact O-N 3.31Å
5	L	24.8	Very low	24.4	Very low	167 Å²	167	159.1 Å²	159.1	87%	0.874	82%	0.817	S	S	*	*			trans	-70.2	100.7	166	-75.8	168.9	0	0	0	107.2	F3	F3-L5 PolarHBondContact O-N 3.33Å
6	H	25.8	Very low	24.2	Very low	157 Å²	157	156.1 Å²	156.1	73%	0.727	82%	0.815	S	S	*	*			trans	-47.4	141.9	170.9	-92.2	-163.9	0	0	0	111.4	Q4 E8	Q4-H6 PolarHBondContact O-N 3.31Å; H6-E8 VanDerWaalsContact C-N 3.34Å; H6-E8 PolarHBondContact O-N 2.93Å
7	N	26.6	Very low	24.1	Very low	168 Å²	168	152.7 Å²	152.7	90%	0.898	80%	0.802	S	S	*	*			trans	-58.4	90.7	168.7	-64.2	-43.4	0	0	0	110.1
8	E	25.3	Very low	24	Very low	164 Å²	164	149.7 Å²	149.7	77%	0.766	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-74.5	133.4	164.3	-81.1	-69.6	135.7	0	0	108.7	H6 T10	H6-E8 VanDerWaalsContact C-N 3.34Å; H6-E8 PolarHBondContact O-N 2.93Å; E8-T10 PolarHBondContact O-N 2.7Å
9	P	28	Very low	24.1	Very low	105 Å²	105	148.8 Å²	148.8	68%	0.682	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-67.2	127.8	-165.2	26.1	-32	0	0	0	110.8
10	T	28.3	Very low	24.1	Very low	124 Å²	124	150.3 Å²	150.3	76%	0.761	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-46.2	121.3	170.6	-44.2	0	0	0	0	109.2	E8 Q12	E8-T10 PolarHBondContact O-N 2.7Å; T10-Q12 PolarHBondContact O-N 2.72Å
11	P	24.4	Very low	24.2	Very low	116 Å²	116	149.4 Å²	149.4	75%	0.753	78%	0.778	S	S	*	*			trans	-58.7	108.5	176.5	-19.9	30.2	0	0	0	108.1	L13	P11-L13 VanDerWaalsContact C-N 3.25Å; P11-L13 PolarHBondContact O-N 3.2Å
12	Q	22.2	Very low	24.2	Very low	174 Å²	174	142.6 Å²	142.6	81%	0.813	75%	0.748	S	S	*	*			trans	-68.7	93.4	169.2	-66.3	-178.4	29.3	0	0	105.8	T10 M14	T10-Q12 PolarHBondContact O-N 2.72Å; Q12-M14 PolarHBondContact O-N 2.76Å
13	L	22.4	Very low	24.4	Very low	170 Å²	170	140.6 Å²	140.6	89%	0.89	74%	0.744	S	S	*	*			trans	-65.8	93.1	169.7	-152.9	88.2	0	0	0	106.1	P11 N15	P11-L13 VanDerWaalsContact C-N 3.25Å; P11-L13 PolarHBondContact O-N 3.2Å; L13-N15 PolarHBondContact O-N 3.38Å
14	M	20.5	Very low	24.5	Very low	162 Å²	162	139.1 Å²	139.1	80%	0.798	74%	0.739	S	S	*	*			trans	-55.4	135.2	173.3	-80.8	-148.4	162.7	0	0	109.3	Q12	Q12-M14 PolarHBondContact O-N 2.76Å
15	N	24.8	Very low	24.6	Very low	161 Å²	161	132 Å²	132	86%	0.861	71%	0.711	S	S	*	*			trans	-41.2	142.4	173.7	-73.5	-24.8	0	0	0	112.9	L13	L13-N15 PolarHBondContact O-N 3.38Å
16	S	21.8	Very low	24.8	Very low	111 Å²	111	129.1 Å²	129.1	78%	0.776	70%	0.696	S	S	*	*			trans	120.6	108.6	165.5	-160.6	0	0	0	0	108.4
17	T	22.2	Very low	24.7	Very low	98 Å²	98	125.8 Å²	125.8	60%	0.601	68%	0.682	S	S	*	*			cis	-153.1	141.9	25.2	-43.1	0	0	0	0	104.6	D19	T17-D19 PolarHBondContact O-N 2.73Å
18	T	23.6	Very low	24.6	Very low	98 Å²	98	120.8 Å²	120.8	60%	0.601	66%	0.66	S	S	*	*			trans	-66.1	88.4	170	-39.5	0	0	0	0	106.2	Y20	T18-Y20 HydrophobicContact CG2-CD1 4.37Å; T18-Y20 HydrophobicContact CG2-CD2 4.19Å; T18-Y20 HydrophobicContact CG2-CE1 3.91Å; T18-Y20 HydrophobicContact CG2-CE2 3.71Å; T18-Y20 HydrophobicContact CG2-CG 4.49Å; T18-Y20 WeakPolarHBondContact O-CD2 3.46Å; T18-Y20 WeakPolarHBondContact O-CE2 3.21Å; T18-Y20 PolarHBondContact O-N 3.3Å
19	D	24.5	Very low	24.5	Very low	134 Å²	134	119.4 Å²	119.4	72%	0.717	66%	0.657	S	S	*	*			trans	-73.6	80.8	175.5	-70.1	-22.2	0	0	0	106.4	T17 I21	T17-D19 PolarHBondContact O-N 2.73Å; D19-I21 PolarHBondContact O-N 3.18Å
20	Y	24.7	Very low	24.3	Very low	178 Å²	178	117.7 Å²	117.7	70%	0.698	65%	0.645	S	S	*	*			trans	-53.3	112.1	165.6	-63.3	-82.8	0	0	0	106.4	T18 T22	T18-Y20 HydrophobicContact CG2-CD1 4.37Å; T18-Y20 HydrophobicContact CG2-CD2 4.19Å; T18-Y20 HydrophobicContact CG2-CE1 3.91Å; T18-Y20 HydrophobicContact CG2-CE2 3.71Å; T18-Y20 HydrophobicContact CG2-CG 4.49Å; T18-Y20 WeakPolarHBondContact O-CD2 3.46Å; T18-Y20 WeakPolarHBondContact O-CE2 3.21Å; T18-Y20 PolarHBondContact O-N 3.3Å; Y20-T22 PolarHBondContact O-N 3.42Å
21	I	25.9	Very low	24.1	Very low	132 Å²	132	118.7 Å²	118.7	68%	0.677	64%	0.641	S	S	*	*			trans	-70.5	80.7	169.6	-56	176.9	0	0	0	106	D19 I26	D19-I21 PolarHBondContact O-N 3.18Å; I21-I26 HydrophobicContact CG2-CG1 3.82Å
22	T	22.8	Very low	24.1	Very low	73 Å²	73	120.5 Å²	120.5	45%	0.448	64%	0.643	S	S	.	*			trans	-73.3	168.6	171.1	55.8	0	0	0	0	108.6	Y20 E24 G25 I26	Y20-T22 PolarHBondContact O-N 3.42Å; T22-E24 CarbonylContact O-C 3.59Å; T22-E24 PolarHBondContact O-N 2.58Å; T22-E24 VanDerWaalsContact O-N 3.09Å; T22-E24 PolarHBondContact OG1-N 3.23Å; T22-G25 WeakPolarHBondContact O-CA 3.39Å; T22-G25 PolarHBondContact O-N 2.94Å; T22-G25 PolarHBondContact OG1-N 3.06Å; T22-I26 PolarHBondContact O-N 3.39Å; T22-I26 VanDerWaalsContact O-N 3.12Å
23	T	27.8	Very low	24.2	Very low	116 Å²	116	114.3 Å²	114.3	71%	0.712	62%	0.617	S	S	*	*	H	α-helix	trans	-52	-30.7	168.2	-45.1	0	0	0	0	110.8	I26 I27	T23-I26 PolarHBondContact O-N 3.31Å; T23-I27 HydrophobicContact CG2-CD1 4.32Å; T23-I27 WeakPolarHBondContact O-CD1 3.3Å; T23-I27 WeakPolarHBondContact O-CG1 3.45Å; T23-I27 PolarHBondContact O-N 3.03Å
24	E	25.9	Very low	24.3	Very low	145 Å²	145	112 Å²	112	68%	0.678	61%	0.61	S	S	*	*	H	α-helix	trans	-67.7	-37.1	169.2	-60.5	-149.6	157.2	0	0	113.3	T22 I26 I27 S28	T22-E24 CarbonylContact O-C 3.59Å; T22-E24 PolarHBondContact O-N 2.58Å; T22-E24 VanDerWaalsContact O-N 3.09Å; T22-E24 PolarHBondContact OG1-N 3.23Å; E24-I26 VanDerWaalsContact C-N 3.35Å; E24-I26 PolarHBondContact O-N 3.2Å; E24-I27 CarbonylContact O-C 3.38Å; E24-I27 WeakPolarHBondContact O-CA 3.5Å; E24-I27 WeakPolarHBondContact O-CB 3.24Å; E24-I27 PolarHBondContact O-N 2.9Å; E24-I27 VanDerWaalsContact O-N 3.1Å; E24-S28 WeakPolarHBondContact O-CB 3.26Å; E24-S28 PolarHBondContact O-N 2.89Å; E24-S28 PolarHBondContact O-OG 2.8Å
25	G	24.4	Very low	24.6	Very low	20 Å²	20	108.2 Å²	108.2	21%	0.206	59%	0.59	C	S	.	*	H	α-helix	trans	-63.4	-35	173.6	0	0	0	0	0	114.1	T22 S28 L29	T22-G25 WeakPolarHBondContact O-CA 3.39Å; T22-G25 PolarHBondContact O-N 2.94Å; T22-G25 PolarHBondContact OG1-N 3.06Å; G25-S28 PolarHBondContact O-N 3.34Å; G25-L29 WeakPolarHBondContact O-CG 3.37Å; G25-L29 PolarHBondContact O-N 2.77Å
26	I	28.7	Very low	24.8	Very low	106 Å²	106	105.9 Å²	105.9	54%	0.544	58%	0.584	S	S	.	*	H	α-helix	trans	-70.9	-37.9	170.5	-59.5	178.9	0	0	0	110.2	I21 T22 T23 E24 S28 T30	I21-I26 HydrophobicContact CG2-CG1 3.82Å; T22-I26 PolarHBondContact O-N 3.39Å; T22-I26 VanDerWaalsContact O-N 3.12Å; T23-I26 PolarHBondContact O-N 3.31Å; E24-I26 VanDerWaalsContact C-N 3.35Å; E24-I26 PolarHBondContact O-N 3.2Å; I26-S28 VanDerWaalsContact C-N 3.34Å; I26-T30 PolarHBondContact O-N 2.88Å; I26-T30 VanDerWaalsContact O-N 3.14Å; I26-T30 PolarHBondContact O-OG1 2.7Å
27	I	23.8	Very low	25	Very low	86 Å²	86	109.1 Å²	109.1	44%	0.441	59%	0.589	S	S	.	*	H	α-helix	trans	-65.2	-36.2	172.1	-65.8	164	0	0	0	111	T23 E24 T30 E31	T23-I27 HydrophobicContact CG2-CD1 4.32Å; T23-I27 WeakPolarHBondContact O-CD1 3.3Å; T23-I27 WeakPolarHBondContact O-CG1 3.45Å; T23-I27 PolarHBondContact O-N 3.03Å; E24-I27 CarbonylContact O-C 3.38Å; E24-I27 WeakPolarHBondContact O-CA 3.5Å; E24-I27 WeakPolarHBondContact O-CB 3.24Å; E24-I27 PolarHBondContact O-N 2.9Å; E24-I27 VanDerWaalsContact O-N 3.1Å; I27-T30 VanDerWaalsContact C-OG1 3.3Å; I27-T30 WeakPolarHBondContact CA-OG1 3.45Å; I27-T30 CarbonylContact O-C 3.28Å; I27-T30 VanDerWaalsContact O-C 3.28Å; I27-T30 WeakPolarHBondContact O-CA 3.49Å; I27-T30 PolarHBondContact O-N 2.84Å; I27-T30 PolarHBondContact O-OG1 3.09Å; I27-E31 HydrophobicContact CG2-CG 4.28Å; I27-E31 PolarHBondContact O-N 3.23Å
28	S	24.1	Very low	25.4	Very low	63 Å²	63	108.5 Å²	108.5	44%	0.441	58%	0.582	S	S	.	*	H	α-helix	trans	-76.3	-34.1	-179.5	-65.9	0	0	0	0	112.1	E24 G25 I26 T30 E31	E24-S28 WeakPolarHBondContact O-CB 3.26Å; E24-S28 PolarHBondContact O-N 2.89Å; E24-S28 PolarHBondContact O-OG 2.8Å; G25-S28 PolarHBondContact O-N 3.34Å; I26-S28 VanDerWaalsContact C-N 3.34Å; S28-T30 PolarHBondContact O-N 3.03Å; S28-E31 PolarHBondContact O-N 2.73Å
29	L	25.2	Very low	25.7	Very low	135 Å²	135	107.3 Å²	107.3	71%	0.707	57%	0.574	S	S	*	*	H	α-helix	trans	-66.2	-21.5	166.5	-76.8	169.5	0	0	0	112.1	G25	G25-L29 WeakPolarHBondContact O-CG 3.37Å; G25-L29 PolarHBondContact O-N 2.77Å
30	T	23.1	Very low	26.1	Very low	69 Å²	69	106.8 Å²	106.8	42%	0.423	58%	0.575	S	S	.	*	H	α-helix	trans	-94.8	-13.7	172.5	44.4	0	0	0	0	114.1	I26 I27 S28 I32 V33	I26-T30 PolarHBondContact O-N 2.88Å; I26-T30 VanDerWaalsContact O-N 3.14Å; I26-T30 PolarHBondContact O-OG1 2.7Å; I27-T30 VanDerWaalsContact C-OG1 3.3Å; I27-T30 WeakPolarHBondContact CA-OG1 3.45Å; I27-T30 CarbonylContact O-C 3.28Å; I27-T30 VanDerWaalsContact O-C 3.28Å; I27-T30 WeakPolarHBondContact O-CA 3.49Å; I27-T30 PolarHBondContact O-N 2.84Å; I27-T30 PolarHBondContact O-OG1 3.09Å; S28-T30 PolarHBondContact O-N 3.03Å; T30-I32 PolarHBondContact O-N 3.02Å; T30-V33 WeakPolarHBondContact O-CA 3.17Å; T30-V33 VanDerWaalsContact O-CB 3.28Å; T30-V33 WeakPolarHBondContact O-CB 3.01Å; T30-V33 PolarHBondContact O-N 2.9Å
31	E	24	Very low	26.6	Very low	145 Å²	145	105.5 Å²	105.5	68%	0.678	58%	0.576	S	S	*	*	H	α-helix	trans	-76	-18.8	-176.7	-97.2	-171.8	154	0	0	114.4	I27 S28 V33	I27-E31 HydrophobicContact CG2-CG 4.28Å; I27-E31 PolarHBondContact O-N 3.23Å; S28-E31 PolarHBondContact O-N 2.73Å; E31-V33 PolarHBondContact O-N 3.12Å
32	I	24.8	Very low	27.1	Very low	154 Å²	154	100.9 Å²	100.9	79%	0.79	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	7.1	169.8	-46.8	-177.3	0	0	0	111.1	T30	T30-I32 PolarHBondContact O-N 3.02Å
33	V	24.1	Very low	27.7	Very low	44 Å²	44	102.4 Å²	102.4	27%	0.267	56%	0.557	S	S	.	*			trans	-109	80.5	178.3	-174.3	0	0	0	0	106.9	T30 E31 H35	T30-V33 WeakPolarHBondContact O-CA 3.17Å; T30-V33 VanDerWaalsContact O-CB 3.28Å; T30-V33 WeakPolarHBondContact O-CB 3.01Å; T30-V33 PolarHBondContact O-N 2.9Å; E31-V33 PolarHBondContact O-N 3.12Å; V33-H35 HydrophobicContact CG1-CB 3.73Å; V33-H35 WeakPolarHBondContact CG1-CD2 3.36Å; V33-H35 WeakPolarHBondContact CG1-NE2 3.34Å; V33-H35 PolarHBondContact O-N 2.75Å
34	T	23.6	Very low	28	Very low	123 Å²	123	104.2 Å²	104.2	76%	0.755	55%	0.552	S	S	*	*			trans	-68.7	62.9	166.9	47.2	0	0	0	0	109.3
35	H	27	Very low	28.6	Very low	81 Å²	81	100.7 Å²	100.7	38%	0.375	53%	0.532	S	S	.	.			trans	-97.9	140.9	174.3	-71	-6.3	0	0	0	108.6	V33 M37	V33-H35 HydrophobicContact CG1-CB 3.73Å; V33-H35 WeakPolarHBondContact CG1-CD2 3.36Å; V33-H35 WeakPolarHBondContact CG1-NE2 3.34Å; V33-H35 PolarHBondContact O-N 2.75Å; H35-M37 PolarHBondContact O-N 3.09Å; H35-M37 VanDerWaalsContact O-N 3.09Å
36	P	28.5	Very low	29.2	Very low	113 Å²	113	102 Å²	102	73%	0.734	53%	0.534	S	S	*	.	S	Bend	trans	-58	121.3	177.6	23.7	-30.6	0	0	0	108.5	L38	P36-L38 PolarHBondContact O-N 3.17Å; P36-L38 VanDerWaalsContact O-N 3.09Å
37	M	26.8	Very low	29.5	Very low	178 Å²	178	98.3 Å²	98.3	88%	0.877	52%	0.522	S	S	*	.			trans	-5.9	95.5	179.5	-68.3	-178.3	72.4	0	0	113.7	H35 T39	H35-M37 PolarHBondContact O-N 3.09Å; H35-M37 VanDerWaalsContact O-N 3.09Å; M37-T39 PolarHBondContact O-N 3.39Å
38	L	30.5	Very low	30.1	Very low	86 Å²	86	97.3 Å²	97.3	45%	0.45	52%	0.517	S	S	.	.			trans	-55.8	123.9	164	-71.5	171.6	0	0	0	107.3	P36 D42 I43	P36-L38 PolarHBondContact O-N 3.17Å; P36-L38 VanDerWaalsContact O-N 3.09Å; L38-D42 HydrophobicContact CB-CB 4.33Å; L38-D42 HydrophobicContact CD2-CB 3.96Å; L38-I43 HydrophobicContact CB-CG1 4.38Å
39	T	29.5	Very low	30.7	Very low	72 Å²	72	97.6 Å²	97.6	44%	0.442	51%	0.512	S	S	.	.			trans	-73.4	158.9	177.1	64.6	0	0	0	0	109.1	M37 E41 D42 I43	M37-T39 PolarHBondContact O-N 3.39Å; T39-E41 PolarHBondContact O-N 2.83Å; T39-E41 VanDerWaalsContact O-N 3.1Å; T39-D42 PolarHBondContact N-OD2 3.44Å; T39-D42 WeakPolarHBondContact O-CB 3.41Å; T39-D42 PolarHBondContact O-N 2.72Å; T39-D42 VanDerWaalsContact OG1-CG 3.31Å; T39-D42 PolarHBondContact OG1-N 3.23Å; T39-D42 PolarHBondContact OG1-OD2 2.76Å; T39-I43 PolarHBondContact O-N 2.99Å; T39-I43 VanDerWaalsContact O-N 3.14Å
40	V	33.5	Very low	31.2	Very low	123 Å²	123	93 Å²	93	75%	0.745	49%	0.489	S	S	*	.	H	α-helix	trans	-53	-33.4	174.4	176.2	0	0	0	0	111	I43 Y44	V40-I43 PolarHBondContact O-N 3.26Å; V40-Y44 WeakPolarHBondContact O-CB 3.5Å; V40-Y44 PolarHBondContact O-N 3.15Å
41	E	35.3	Very low	31.8	Very low	152 Å²	152	94.7 Å²	94.7	71%	0.71	49%	0.491	S	S	*	.	H	α-helix	trans	-66.8	-37.1	176.5	-168.3	168.6	-165.2	0	0	112.8	T39 Y44 R45	T39-E41 PolarHBondContact O-N 2.83Å; T39-E41 VanDerWaalsContact O-N 3.1Å; E41-Y44 PolarHBondContact O-N 3.03Å; E41-R45 WeakPolarHBondContact O-CB 3.18Å; E41-R45 PolarHBondContact O-N 3.09Å
42	D	35.5	Very low	32.1	Very low	34 Å²	34	93.7 Å²	93.7	18%	0.182	49%	0.486	C	S	.	.	H	α-helix	trans	-66.8	-43.1	174.7	-62.4	-53.3	0	0	0	111.7	L38 T39 Y44 R45 I46	L38-D42 HydrophobicContact CB-CB 4.33Å; L38-D42 HydrophobicContact CD2-CB 3.96Å; T39-D42 PolarHBondContact N-OD2 3.44Å; T39-D42 WeakPolarHBondContact O-CB 3.41Å; T39-D42 PolarHBondContact O-N 2.72Å; T39-D42 VanDerWaalsContact OG1-CG 3.31Å; T39-D42 PolarHBondContact OG1-N 3.23Å; T39-D42 PolarHBondContact OG1-OD2 2.76Å; D42-Y44 VanDerWaalsContact C-N 3.3Å; D42-Y44 PolarHBondContact O-N 2.97Å; D42-R45 PolarHBondContact O-N 3.13Å; D42-R45 IonicContact OD1-CZ 3.25Å; D42-R45 VanDerWaalsContact OD1-CZ 3.25Å; D42-R45 IonicContact OD1-NH1 2.77Å; D42-R45 PolarHBondContact OD1-NH1 3.43Å; D42-R45 IonicContact OD1-NH2 2.77Å; D42-R45 PolarHBondContact OD1-NH2 2.97Å; D42-I46 VanDerWaalsContact O-CG1 3.26Å; D42-I46 WeakPolarHBondContact O-CG1 3.42Å; D42-I46 PolarHBondContact O-N 3.49Å
43	I	35.9	Very low	32.4	Very low	105 Å²	105	88.3 Å²	88.3	54%	0.538	46%	0.46	S	S	.	.	H	α-helix	trans	-61.6	-43.1	175.4	-61.2	173.3	0	0	0	109.8	L38 T39 V40 R45 I46 G47	L38-I43 HydrophobicContact CB-CG1 4.38Å; T39-I43 PolarHBondContact O-N 2.99Å; T39-I43 VanDerWaalsContact O-N 3.14Å; V40-I43 PolarHBondContact O-N 3.26Å; I43-R45 PolarHBondContact O-N 3.48Å; I43-I46 PolarHBondContact O-N 2.99Å; I43-G47 PolarHBondContact O-N 3.41Å
44	Y	34.8	Very low	32.8	Very low	155 Å²	155	89.3 Å²	89.3	61%	0.608	47%	0.467	S	S	*	.	H	α-helix	trans	-64.8	-39.7	177.9	-156.8	-98.3	0	0	0	112	V40 E41 D42 G47 N48	V40-Y44 WeakPolarHBondContact O-CB 3.5Å; V40-Y44 PolarHBondContact O-N 3.15Å; E41-Y44 PolarHBondContact O-N 3.03Å; D42-Y44 VanDerWaalsContact C-N 3.3Å; D42-Y44 PolarHBondContact O-N 2.97Å; Y44-G47 PolarHBondContact O-N 3.25Å; Y44-N48 WeakPolarHBondContact CD1-ND2 3.28Å; Y44-N48 VanDerWaalsContact CE1-ND2 3.25Å; Y44-N48 WeakPolarHBondContact CE1-ND2 3.4Å; Y44-N48 WeakPolarHBondContact O-CB 3.49Å; Y44-N48 PolarHBondContact O-N 2.92Å
45	R	37.4	Very low	32.9	Very low	71 Å²	71	87.3 Å²	87.3	27%	0.268	45%	0.451	S	S	.	.	H	α-helix	trans	-66	-46.3	176.4	-169.9	176.9	64.7	-102.4	-7.7	111.6	E41 D42 I43 G47 N48 E49 Y116	E41-R45 WeakPolarHBondContact O-CB 3.18Å; E41-R45 PolarHBondContact O-N 3.09Å; D42-R45 PolarHBondContact O-N 3.13Å; D42-R45 IonicContact OD1-CZ 3.25Å; D42-R45 VanDerWaalsContact OD1-CZ 3.25Å; D42-R45 IonicContact OD1-NH1 2.77Å; D42-R45 PolarHBondContact OD1-NH1 3.43Å; D42-R45 IonicContact OD1-NH2 2.77Å; D42-R45 PolarHBondContact OD1-NH2 2.97Å; I43-R45 PolarHBondContact O-N 3.48Å; R45-G47 VanDerWaalsContact C-N 3.29Å; R45-G47 PolarHBondContact O-N 2.92Å; R45-N48 PolarHBondContact O-N 3.32Å; R45-N48 VanDerWaalsContact O-N 3.12Å; R45-E49 WeakPolarHBondContact O-CB 3.48Å; R45-E49 WeakPolarHBondContact O-CG 3.36Å; R45-E49 PolarHBondContact O-N 3.47Å; R45-Y116 PolarHBondContact NE-OH 3.37Å; R45-Y116 PolarHBondContact NH2-OH 2.98Å
46	I	37.5	Very low	32.9	Very low	48 Å²	48	90 Å²	90	25%	0.246	46%	0.462	C	S	.	.	H	α-helix	trans	-59.9	-42.7	174.6	-65.9	163.5	0	0	0	110.2	D42 I43 N48 E49 T50	D42-I46 VanDerWaalsContact O-CG1 3.26Å; D42-I46 WeakPolarHBondContact O-CG1 3.42Å; D42-I46 PolarHBondContact O-N 3.49Å; I43-I46 PolarHBondContact O-N 2.99Å; I46-N48 VanDerWaalsContact C-N 3.33Å; I46-N48 PolarHBondContact O-N 2.9Å; I46-E49 PolarHBondContact O-N 3.39Å; I46-T50 HydrophobicContact CG2-CG2 4.4Å; I46-T50 WeakPolarHBondContact O-CB 2.98Å; I46-T50 VanDerWaalsContact O-CG2 3.31Å; I46-T50 WeakPolarHBondContact O-CG2 3.47Å; I46-T50 PolarHBondContact O-N 2.79Å; I46-T50 PolarHBondContact O-OG1 3.1Å
47	G	35.7	Very low	32.8	Very low	27 Å²	27	86.6 Å²	86.6	28%	0.278	44%	0.437	S	S	.	.	H	α-helix	trans	-60.1	-39.8	174.3	0	0	0	0	0	113	I43 Y44 R45 T50 K51	I43-G47 PolarHBondContact O-N 3.41Å; Y44-G47 PolarHBondContact O-N 3.25Å; R45-G47 VanDerWaalsContact C-N 3.29Å; R45-G47 PolarHBondContact O-N 2.92Å; G47-T50 VanDerWaalsContact C-OG1 3.29Å; G47-T50 VanDerWaalsContact CA-OG1 3.26Å; G47-T50 WeakPolarHBondContact CA-OG1 3.19Å; G47-T50 PolarHBondContact O-OG1 3.39Å; G47-K51 WeakPolarHBondContact O-CB 3.47Å; G47-K51 VanDerWaalsContact O-CG 3.22Å; G47-K51 WeakPolarHBondContact O-CG 3.25Å; G47-K51 PolarHBondContact O-N 3.4Å
48	N	36.2	Very low	32.7	Very low	65 Å²	65	82.6 Å²	82.6	35%	0.348	42%	0.418	S	S	.	.	H	α-helix	trans	-75.5	-36.9	177.3	-78.9	-18.8	0	0	0	113.2	Y44 R45 I46 K51 Q52	Y44-N48 WeakPolarHBondContact CD1-ND2 3.28Å; Y44-N48 VanDerWaalsContact CE1-ND2 3.25Å; Y44-N48 WeakPolarHBondContact CE1-ND2 3.4Å; Y44-N48 WeakPolarHBondContact O-CB 3.49Å; Y44-N48 PolarHBondContact O-N 2.92Å; R45-N48 PolarHBondContact O-N 3.32Å; R45-N48 VanDerWaalsContact O-N 3.12Å; I46-N48 VanDerWaalsContact C-N 3.33Å; I46-N48 PolarHBondContact O-N 2.9Å; N48-K51 PolarHBondContact O-N 3.03Å; N48-Q52 WeakPolarHBondContact O-CB 3.33Å; N48-Q52 VanDerWaalsContact O-CG 3.28Å; N48-Q52 WeakPolarHBondContact O-CG 3.43Å; N48-Q52 PolarHBondContact O-N 3Å
49	E	36.7	Very low	32.3	Very low	70 Å²	70	85.2 Å²	85.2	33%	0.327	43%	0.428	S	S	.	.	H	α-helix	trans	-67.3	-38.8	174.3	-74.3	179.5	-167.6	0	0	111.3	R45 I46 Q52 T53 I112	R45-E49 WeakPolarHBondContact O-CB 3.48Å; R45-E49 WeakPolarHBondContact O-CG 3.36Å; R45-E49 PolarHBondContact O-N 3.47Å; I46-E49 PolarHBondContact O-N 3.39Å; E49-Q52 PolarHBondContact O-N 3.38Å; E49-T53 WeakPolarHBondContact O-CB 3.41Å; E49-T53 PolarHBondContact O-N 3.21Å; E49-T53 PolarHBondContact O-OG1 2.69Å; E49-I112 VanDerWaalsContact OE2-CD1 3.3Å; E49-I112 WeakPolarHBondContact OE2-CD1 3.49Å
50	T	35.9	Very low	32	Very low	38 Å²	38	88.8 Å²	88.8	23%	0.233	44%	0.444	C	S	.	.	H	α-helix	trans	-65.9	-44.7	172	48.3	0	0	0	0	111	I46 G47 Q52 T53 T54	I46-T50 HydrophobicContact CG2-CG2 4.4Å; I46-T50 WeakPolarHBondContact O-CB 2.98Å; I46-T50 VanDerWaalsContact O-CG2 3.31Å; I46-T50 WeakPolarHBondContact O-CG2 3.47Å; I46-T50 PolarHBondContact O-N 2.79Å; I46-T50 PolarHBondContact O-OG1 3.1Å; G47-T50 VanDerWaalsContact C-OG1 3.29Å; G47-T50 VanDerWaalsContact CA-OG1 3.26Å; G47-T50 WeakPolarHBondContact CA-OG1 3.19Å; G47-T50 PolarHBondContact O-OG1 3.39Å; T50-Q52 PolarHBondContact O-N 2.9Å; T50-T53 PolarHBondContact O-N 3.32Å; T50-T53 VanDerWaalsContact O-N 3.13Å; T50-T54 PolarHBondContact O-N 2.64Å; T50-T54 PolarHBondContact O-OG1 3.43Å
51	K	34	Very low	31.5	Very low	104 Å²	104	89.8 Å²	89.8	45%	0.452	44%	0.44	S	S	.	.	H	α-helix	trans	-55.2	-47.4	170.6	-79.2	175.3	-178.4	-176.6	0	112.3	G47 N48 T53 T54 L55	G47-K51 WeakPolarHBondContact O-CB 3.47Å; G47-K51 VanDerWaalsContact O-CG 3.22Å; G47-K51 WeakPolarHBondContact O-CG 3.25Å; G47-K51 PolarHBondContact O-N 3.4Å; N48-K51 PolarHBondContact O-N 3.03Å; K51-T53 VanDerWaalsContact C-N 3.31Å; K51-T53 PolarHBondContact O-N 3.12Å; K51-T54 PolarHBondContact O-N 3.44Å; K51-L55 VanDerWaalsContact O-CB 3.28Å; K51-L55 WeakPolarHBondContact O-CB 3.22Å; K51-L55 WeakPolarHBondContact O-CG 3.46Å; K51-L55 PolarHBondContact O-N 2.93Å
52	Q	31.4	Very low	31	Very low	125 Å²	125	86.2 Å²	86.2	58%	0.584	43%	0.426	S	S	*	.	H	α-helix	trans	-62.8	-39	177.1	-78.6	-83.2	-5.1	0	0	111.5	N48 E49 T50 L55 K56	N48-Q52 WeakPolarHBondContact O-CB 3.33Å; N48-Q52 VanDerWaalsContact O-CG 3.28Å; N48-Q52 WeakPolarHBondContact O-CG 3.43Å; N48-Q52 PolarHBondContact O-N 3Å; E49-Q52 PolarHBondContact O-N 3.38Å; T50-Q52 PolarHBondContact O-N 2.9Å; Q52-L55 PolarHBondContact O-N 3.44Å; Q52-K56 WeakPolarHBondContact O-CB 3.18Å; Q52-K56 PolarHBondContact O-N 3.46Å
53	T	31.8	Very low	30.5	Very low	40 Å²	40	93.4 Å²	93.4	25%	0.245	46%	0.458	C	S	.	.	H	α-helix	trans	-67	-46	177.7	-55.5	0	0	0	0	110.4	E49 T50 K51 L55 K56 I57	E49-T53 WeakPolarHBondContact O-CB 3.41Å; E49-T53 PolarHBondContact O-N 3.21Å; E49-T53 PolarHBondContact O-OG1 2.69Å; T50-T53 PolarHBondContact O-N 3.32Å; T50-T53 VanDerWaalsContact O-N 3.13Å; K51-T53 VanDerWaalsContact C-N 3.31Å; K51-T53 PolarHBondContact O-N 3.12Å; T53-L55 PolarHBondContact O-N 2.88Å; T53-K56 PolarHBondContact O-N 3.13Å; T53-I57 HydrophobicContact CG2-CD1 3.99Å; T53-I57 WeakPolarHBondContact O-CD1 3.28Å; T53-I57 WeakPolarHBondContact O-CG1 3.5Å; T53-I57 PolarHBondContact O-N 3.41Å
54	T	31.2	Very low	30.2	Very low	65 Å²	65	93.1 Å²	93.1	40%	0.399	46%	0.463	S	S	.	.	H	α-helix	trans	-60.3	-44.4	173.4	-52.9	0	0	0	0	111.3	T50 K51 K56 I57 I58	T50-T54 PolarHBondContact O-N 2.64Å; T50-T54 PolarHBondContact O-OG1 3.43Å; K51-T54 PolarHBondContact O-N 3.44Å; T54-K56 PolarHBondContact O-N 2.82Å; T54-I57 PolarHBondContact O-N 3.39Å; T54-I58 HydrophobicContact CG2-CD1 4.14Å; T54-I58 VanDerWaalsContact O-CG1 3.28Å; T54-I58 WeakPolarHBondContact O-CG1 3.33Å; T54-I58 PolarHBondContact O-N 2.81Å
55	L	26.5	Very low	29.7	Very low	82 Å²	82	91.6 Å²	91.6	43%	0.429	47%	0.47	S	S	.	.	H	α-helix	trans	-64.8	-38.4	176.9	-73.6	169.6	0	0	0	112.5	K51 Q52 T53 I58 Q59	K51-L55 VanDerWaalsContact O-CB 3.28Å; K51-L55 WeakPolarHBondContact O-CB 3.22Å; K51-L55 WeakPolarHBondContact O-CG 3.46Å; K51-L55 PolarHBondContact O-N 2.93Å; Q52-L55 PolarHBondContact O-N 3.44Å; T53-L55 PolarHBondContact O-N 2.88Å; L55-I58 PolarHBondContact O-N 2.87Å; L55-Q59 WeakPolarHBondContact O-CB 3.38Å; L55-Q59 WeakPolarHBondContact O-CG 3.26Å; L55-Q59 PolarHBondContact O-N 2.92Å
56	K	26	Very low	29.2	Very low	138 Å²	138	93.2 Å²	93.2	60%	0.6	49%	0.49	S	S	*	.	H	α-helix	trans	-66.6	-38.8	174.7	-112.3	179.3	175	176.7	0	112.1	Q52 T53 T54 I58 Q59 L60	Q52-K56 WeakPolarHBondContact O-CB 3.18Å; Q52-K56 PolarHBondContact O-N 3.46Å; T53-K56 PolarHBondContact O-N 3.13Å; T54-K56 PolarHBondContact O-N 2.82Å; K56-I58 VanDerWaalsContact C-N 3.34Å; K56-Q59 PolarHBondContact O-N 3.4Å; K56-L60 WeakPolarHBondContact O-CG 3.41Å; K56-L60 PolarHBondContact O-N 3.01Å
57	I	27	Very low	28.5	Very low	41 Å²	41	99.7 Å²	99.7	21%	0.21	52%	0.519	C	S	.	.	H	α-helix	trans	-65.6	-41.1	176.2	-67	163.3	0	0	0	109.9	T53 T54 L60 E104	T53-I57 HydrophobicContact CG2-CD1 3.99Å; T53-I57 WeakPolarHBondContact O-CD1 3.28Å; T53-I57 WeakPolarHBondContact O-CG1 3.5Å; T53-I57 PolarHBondContact O-N 3.41Å; T54-I57 PolarHBondContact O-N 3.39Å; I57-L60 PolarHBondContact O-N 2.82Å; I57-E104 WeakPolarHBondContact CD1-OE2 3.21Å
58	I	24.9	Very low	28	Very low	94 Å²	94	105.1 Å²	105.1	48%	0.482	54%	0.541	S	S	.	.	H	α-helix	trans	-63.3	-41.4	174.2	-66	164.9	0	0	0	111.1	T54 L55 K56 H61	T54-I58 HydrophobicContact CG2-CD1 4.14Å; T54-I58 VanDerWaalsContact O-CG1 3.28Å; T54-I58 WeakPolarHBondContact O-CG1 3.33Å; T54-I58 PolarHBondContact O-N 2.81Å; L55-I58 PolarHBondContact O-N 2.87Å; K56-I58 VanDerWaalsContact C-N 3.34Å; I58-H61 PolarHBondContact O-N 2.81Å
59	Q	22	Very low	27.3	Very low	140 Å²	140	110 Å²	110	65%	0.654	56%	0.564	S	S	*	*	H	α-helix	trans	-67.7	-35.8	177.8	-79.5	-174.4	-12.4	0	0	113.3	L55 K56 H61 N62	L55-Q59 WeakPolarHBondContact O-CB 3.38Å; L55-Q59 WeakPolarHBondContact O-CG 3.26Å; L55-Q59 PolarHBondContact O-N 2.92Å; K56-Q59 PolarHBondContact O-N 3.4Å; Q59-H61 PolarHBondContact O-N 3.41Å; Q59-N62 PolarHBondContact O-N 3.3Å
60	L	21.9	Very low	26.7	Very low	148 Å²	148	114.3 Å²	114.3	78%	0.775	59%	0.589	S	S	*	*	H	α-helix	trans	-65.1	-21.1	179.4	-82.2	167.7	0	0	0	113.3	K56 I57	K56-L60 WeakPolarHBondContact O-CG 3.41Å; K56-L60 PolarHBondContact O-N 3.01Å; I57-L60 PolarHBondContact O-N 2.82Å
61	H	24.6	Very low	26.1	Very low	143 Å²	143	117 Å²	117	66%	0.662	61%	0.609	S	S	*	*	H	α-helix	trans	-98.7	-10.5	-178.8	-124	-85.7	0	0	0	114.6	I58 Q59	I58-H61 PolarHBondContact O-N 2.81Å; Q59-H61 PolarHBondContact O-N 3.41Å
62	N	23.9	Very low	25.5	Very low	78 Å²	78	116.6 Å²	116.6	42%	0.417	62%	0.616	S	S	.	*			trans	-142.8	87	-174.1	-68.3	-43.4	0	0	0	112.4	Q59	Q59-N62 PolarHBondContact O-N 3.3Å
63	E	24.2	Very low	25.2	Very low	184 Å²	184	116.4 Å²	116.4	86%	0.86	62%	0.623	S	S	*	*			trans	-79.6	134.3	145.3	-91	-86.8	142	0	0	107.7
64	P	30.6	Very low	24.9	Very low	100 Å²	100	120.9 Å²	120.9	65%	0.649	65%	0.646	S	S	*	*	S	Bend	cis	-125.5	137.7	5.4	34.6	-15.7	0	0	0	115.6
65	T	24.9	Very low	24.6	Very low	123 Å²	123	126.9 Å²	126.9	76%	0.755	66%	0.662	S	S	*	*			trans	61.1	85.8	151.6	37.5	0	0	0	0	120.5	Q67	T65-Q67 PolarHBondContact O-N 2.92Å
66	P	26.7	Very low	24.6	Very low	105 Å²	105	129 Å²	129	68%	0.682	67%	0.673	S	S	*	*			trans	-78.4	116.7	155.4	-2	20.5	0	0	0	109.3	L68	P66-L68 VanDerWaalsContact C-N 3.29Å; P66-L68 PolarHBondContact O-N 3.5Å
67	Q	22.7	Very low	24.5	Very low	184 Å²	184	126.3 Å²	126.3	86%	0.86	67%	0.668	S	S	*	*			trans	-64.8	93	163.4	-68.1	178.1	19.5	0	0	107.7	T65 M69	T65-Q67 PolarHBondContact O-N 2.92Å; Q67-M69 VanDerWaalsContact C-N 3.29Å; Q67-M69 PolarHBondContact O-N 3.28Å
68	L	25.3	Very low	24.4	Very low	140 Å²	140	129.8 Å²	129.8	73%	0.733	69%	0.691	S	S	*	*			trans	-70.1	91.1	174.2	-162.8	78.2	0	0	0	107.6	P66 N70	P66-L68 VanDerWaalsContact C-N 3.29Å; P66-L68 PolarHBondContact O-N 3.5Å; L68-N70 PolarHBondContact O-N 2.79Å; L68-N70 VanDerWaalsContact O-N 3.13Å
69	M	20.7	Very low	24.4	Very low	168 Å²	168	132.5 Å²	132.5	83%	0.828	70%	0.702	S	S	*	*			trans	-58.8	116.5	168.5	-75.4	-152.6	84.3	0	0	108.1	Q67 S71	Q67-M69 VanDerWaalsContact C-N 3.29Å; Q67-M69 PolarHBondContact O-N 3.28Å; M69-S71 PolarHBondContact O-N 3.47Å
70	N	25.1	Very low	24.5	Very low	160 Å²	160	127 Å²	127	86%	0.856	68%	0.682	S	S	*	*			trans	-54.9	106.4	166.7	-69.6	-37	0	0	0	109	L68	L68-N70 PolarHBondContact O-N 2.79Å; L68-N70 VanDerWaalsContact O-N 3.13Å
71	S	21.9	Very low	24.8	Very low	94 Å²	94	125 Å²	125	66%	0.657	67%	0.672	S	S	*	*			trans	-154	119	155.8	-159.7	0	0	0	0	111.2	M69	M69-S71 PolarHBondContact O-N 3.47Å
72	T	22.9	Very low	24.7	Very low	97 Å²	97	123.4 Å²	123.4	60%	0.595	67%	0.667	S	S	*	*			trans	58.3	107.5	147	38.2	0	0	0	0	119.6	D74	T72-D74 VanDerWaalsContact O-CG 3.24Å; T72-D74 PolarHBondContact O-N 3.41Å
73	T	24.9	Very low	24.7	Very low	121 Å²	121	123.3 Å²	123.3	74%	0.742	67%	0.672	S	S	*	*			trans	18.6	47.5	131.4	-14.6	0	0	0	0	119.1	Y75	T73-Y75 WeakPolarHBondContact O-CD2 3.31Å; T73-Y75 PolarHBondContact O-N 2.92Å; T73-Y75 VanDerWaalsContact O-N 3.09Å
74	D	24.3	Very low	24.6	Very low	134 Å²	134	121.1 Å²	121.1	72%	0.717	67%	0.666	S	S	*	*			trans	-80.1	103.7	176.5	-70.9	-26.4	0	0	0	109.1	T72 I76	T72-D74 VanDerWaalsContact O-CG 3.24Å; T72-D74 PolarHBondContact O-N 3.41Å; D74-I76 PolarHBondContact O-N 3.39Å
75	Y	25.5	Very low	24.3	Very low	191 Å²	191	120.8 Å²	120.8	75%	0.749	66%	0.662	S	S	*	*			trans	-48	122	162.8	-70.6	-94.2	0	0	0	108	T73 T77	T73-Y75 WeakPolarHBondContact O-CD2 3.31Å; T73-Y75 PolarHBondContact O-N 2.92Å; T73-Y75 VanDerWaalsContact O-N 3.09Å; Y75-T77 PolarHBondContact O-N 2.73Å
76	I	26.7	Very low	24.3	Very low	127 Å²	127	122.9 Å²	122.9	65%	0.651	66%	0.663	S	S	*	*			trans	-65.4	87	174.7	-56.1	173.1	0	0	0	106.8	D74 I81	D74-I76 PolarHBondContact O-N 3.39Å; I76-I81 HydrophobicContact CG2-CD1 4Å; I76-I81 HydrophobicContact CG2-CG1 3.83Å
77	T	23.7	Very low	24.2	Very low	81 Å²	81	125.5 Å²	125.5	50%	0.497	67%	0.67	S	S	.	*			trans	-99.7	163.2	167.1	57.3	0	0	0	0	107.9	Y75 E79 G80 I81	Y75-T77 PolarHBondContact O-N 2.73Å; T77-E79 PolarHBondContact O-N 3.31Å; T77-G80 WeakPolarHBondContact O-CA 3.4Å; T77-G80 PolarHBondContact O-N 3.38Å; T77-I81 PolarHBondContact O-N 3.02Å
78	T	26.1	Very low	24.2	Very low	114 Å²	114	120.1 Å²	120.1	70%	0.699	65%	0.65	S	S	*	*	H	α-helix	trans	-53	-30.4	179.8	-39.6	0	0	0	0	112.2	I82	T78-I82 WeakPolarHBondContact O-CD1 3.46Å; T78-I82 VanDerWaalsContact O-CG1 3.3Å; T78-I82 WeakPolarHBondContact O-CG1 3.37Å; T78-I82 PolarHBondContact O-N 2.88Å
79	E	24.8	Very low	24.1	Very low	150 Å²	150	120.5 Å²	120.5	70%	0.701	66%	0.658	S	S	*	*	H	α-helix	trans	-73.1	-30.2	172.5	-64.1	-159	162.1	0	0	113.5	T77 I82 S83	T77-E79 PolarHBondContact O-N 3.31Å; E79-I82 CarbonylContact O-C 3.59Å; E79-I82 PolarHBondContact O-N 2.99Å; E79-S83 VanDerWaalsContact O-CB 3.24Å; E79-S83 WeakPolarHBondContact O-CB 3.43Å; E79-S83 PolarHBondContact O-N 2.76Å; E79-S83 PolarHBondContact O-OG 2.74Å
80	G	22.7	Very low	24.5	Very low	24 Å²	24	116.3 Å²	116.3	25%	0.247	64%	0.636	C	S	.	*	H	α-helix	trans	-70.9	-34.9	175.8	0	0	0	0	0	113.3	T77 I82 S83 L84	T77-G80 WeakPolarHBondContact O-CA 3.4Å; T77-G80 PolarHBondContact O-N 3.38Å; G80-I82 VanDerWaalsContact C-N 3.34Å; G80-S83 PolarHBondContact O-N 2.91Å; G80-L84 PolarHBondContact O-N 3.28Å
81	I	28.4	Very low	24.7	Very low	107 Å²	107	113.2 Å²	113.2	55%	0.549	63%	0.625	S	S	.	*	H	α-helix	trans	-68.3	-38.9	172.3	-60	179.3	0	0	0	110.1	I76 T77	I76-I81 HydrophobicContact CG2-CD1 4Å; I76-I81 HydrophobicContact CG2-CG1 3.83Å; T77-I81 PolarHBondContact O-N 3.02Å
82	I	22.9	Very low	25.1	Very low	110 Å²	110	117.1 Å²	117.1	56%	0.564	64%	0.635	S	S	*	*	H	α-helix	trans	-70.6	-36.1	175.5	-63	168	0	0	0	110.6	T78 E79 G80 L84 T85	T78-I82 WeakPolarHBondContact O-CD1 3.46Å; T78-I82 VanDerWaalsContact O-CG1 3.3Å; T78-I82 WeakPolarHBondContact O-CG1 3.37Å; T78-I82 PolarHBondContact O-N 2.88Å; E79-I82 CarbonylContact O-C 3.59Å; E79-I82 PolarHBondContact O-N 2.99Å; G80-I82 VanDerWaalsContact C-N 3.34Å; I82-L84 VanDerWaalsContact C-N 3.27Å; I82-L84 PolarHBondContact O-N 2.85Å; I82-T85 WeakPolarHBondContact O-CB 3.41Å; I82-T85 PolarHBondContact O-N 3.46Å; I82-T85 PolarHBondContact O-OG1 3.47Å
83	S	23.3	Very low	25.6	Very low	76 Å²	76	117.6 Å²	117.6	53%	0.531	63%	0.633	S	S	.	*	H	α-helix	trans	-71.1	-20.9	-179.8	-61.6	0	0	0	0	113.3	E79 G80 T85 E86	E79-S83 VanDerWaalsContact O-CB 3.24Å; E79-S83 WeakPolarHBondContact O-CB 3.43Å; E79-S83 PolarHBondContact O-N 2.76Å; E79-S83 PolarHBondContact O-OG 2.74Å; G80-S83 PolarHBondContact O-N 2.91Å; S83-T85 PolarHBondContact O-N 3.49Å; S83-E86 PolarHBondContact O-N 3.2Å
84	L	23.7	Very low	26	Very low	137 Å²	137	115.1 Å²	115.1	72%	0.717	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-13.5	168.3	-75.3	171.8	0	0	0	113.1	G80 I82 H90	G80-L84 PolarHBondContact O-N 3.28Å; I82-L84 VanDerWaalsContact C-N 3.27Å; I82-L84 PolarHBondContact O-N 2.85Å; L84-H90 PolarHBondContact O-NE2 3.36Å
85	T	22.9	Very low	26.7	Very low	94 Å²	94	114.7 Å²	114.7	58%	0.577	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-10.5	174.4	60.1	0	0	0	0	114.2	I82 S83	I82-T85 WeakPolarHBondContact O-CB 3.41Å; I82-T85 PolarHBondContact O-N 3.46Å; I82-T85 PolarHBondContact O-OG1 3.47Å; S83-T85 PolarHBondContact O-N 3.49Å
86	E	25.1	Very low	27.4	Very low	167 Å²	167	112.7 Å²	112.7	78%	0.78	62%	0.617	S	S	*	*	S	Bend	trans	-95.5	-8.7	-169.6	-114.1	-178.7	-174.9	0	0	116.3	S83	S83-E86 PolarHBondContact O-N 3.2Å
87	I	24	Very low	28.1	Very low	159 Å²	159	108 Å²	108	82%	0.815	59%	0.594	S	S	*	*	S	Bend	trans	-138.8	45.4	176.2	-34.4	177.7	0	0	0	113.4
88	V	23.9	Very low	28.9	Very low	72 Å²	72	109.1 Å²	109.1	44%	0.436	60%	0.596	S	S	.	*	S	Bend	trans	-129.1	131.7	139.4	-168.1	0	0	0	0	105.2	H90	V88-H90 VanDerWaalsContact CB-CD2 3.5Å; V88-H90 WeakPolarHBondContact CB-CD2 3.16Å; V88-H90 WeakPolarHBondContact CB-CE1 3.38Å; V88-H90 WeakPolarHBondContact CB-ND1 3.37Å; V88-H90 VanDerWaalsContact CB-NE2 3.26Å; V88-H90 WeakPolarHBondContact CB-NE2 3.39Å; V88-H90 WeakPolarHBondContact CG2-CE1 3.28Å; V88-H90 WeakPolarHBondContact CG2-NE2 3.39Å; V88-H90 PolarHBondContact O-CD2 3.06Å; V88-H90 PolarHBondContact O-N 2.79Å
89	T	23.8	Very low	29.5	Very low	147 Å²	147	111.4 Å²	111.4	90%	0.902	59%	0.592	S	S	*	*			trans	-64.9	75.9	160.8	46.2	0	0	0	0	106.7
90	H	28.6	Very low	30.4	Very low	80 Å²	80	108.8 Å²	108.8	37%	0.37	58%	0.576	S	S	.	*			trans	-76.9	135	-166.2	-75.5	-75	0	0	0	110	L84 V88 M92	L84-H90 PolarHBondContact O-NE2 3.36Å; V88-H90 VanDerWaalsContact CB-CD2 3.5Å; V88-H90 WeakPolarHBondContact CB-CD2 3.16Å; V88-H90 WeakPolarHBondContact CB-CE1 3.38Å; V88-H90 WeakPolarHBondContact CB-ND1 3.37Å; V88-H90 VanDerWaalsContact CB-NE2 3.26Å; V88-H90 WeakPolarHBondContact CB-NE2 3.39Å; V88-H90 WeakPolarHBondContact CG2-CE1 3.28Å; V88-H90 WeakPolarHBondContact CG2-NE2 3.39Å; V88-H90 PolarHBondContact O-CD2 3.06Å; V88-H90 PolarHBondContact O-N 2.79Å; H90-M92 PolarHBondContact O-N 3.14Å
91	P	29.7	Very low	31.5	Very low	96 Å²	96	110.1 Å²	110.1	62%	0.623	58%	0.577	S	S	*	*			trans	-58.9	123.4	152.2	25.9	-28.8	0	0	0	107.1	L93	P91-L93 PolarHBondContact O-N 2.92Å
92	M	29.1	Very low	32.2	Very low	176 Å²	176	107 Å²	107	87%	0.867	57%	0.571	S	S	*	*			trans	-48.1	115.2	-176.8	-72	-176.7	75.9	0	0	110.1	H90 T94	H90-M92 PolarHBondContact O-N 3.14Å; M92-T94 PolarHBondContact O-N 3.38Å
93	L	34.9	Very low	33.4	Very low	106 Å²	106	105 Å²	105	56%	0.555	56%	0.561	S	S	*	*			trans	-61.2	121.8	168.8	-72.7	170.9	0	0	0	107.6	P91 D97	P91-L93 PolarHBondContact O-N 2.92Å; L93-D97 HydrophobicContact CB-CB 4.4Å; L93-D97 HydrophobicContact CD2-CB 3.85Å
94	T	32.6	Very low	34.5	Very low	69 Å²	69	105.1 Å²	105.1	42%	0.423	55%	0.554	S	S	.	*			trans	-75.8	160.6	175.8	65.1	0	0	0	0	109.7	M92 E96 D97 I98	M92-T94 PolarHBondContact O-N 3.38Å; T94-E96 PolarHBondContact O-N 3.43Å; T94-E96 VanDerWaalsContact O-N 3.15Å; T94-D97 WeakPolarHBondContact CB-OD2 3.44Å; T94-D97 PolarHBondContact N-OD2 3.1Å; T94-D97 WeakPolarHBondContact O-CB 3.47Å; T94-D97 PolarHBondContact O-N 2.89Å; T94-D97 PolarHBondContact OG1-N 2.86Å; T94-D97 PolarHBondContact OG1-OD2 3.27Å; T94-I98 PolarHBondContact O-N 3.38Å
95	V	38.7	Very low	35.6	Very low	126 Å²	126	100.9 Å²	100.9	76%	0.764	53%	0.534	S	S	*	.	H	α-helix	trans	-55	-32.3	172.4	176.5	0	0	0	0	111.1	I98 Y99	V95-I98 PolarHBondContact O-N 3.38Å; V95-Y99 WeakPolarHBondContact O-CB 3.36Å; V95-Y99 PolarHBondContact O-N 2.93Å
96	E	41	Very low	36.7	Very low	148 Å²	148	101.7 Å²	101.7	69%	0.692	53%	0.529	S	S	*	.	H	α-helix	trans	-66.5	-38.2	176.3	-171.2	168.7	-167.6	0	0	112.4	T94 Y99 R100	T94-E96 PolarHBondContact O-N 3.43Å; T94-E96 VanDerWaalsContact O-N 3.15Å; E96-Y99 PolarHBondContact O-N 3.44Å; E96-R100 WeakPolarHBondContact O-CB 3.36Å; E96-R100 PolarHBondContact O-N 2.81Å
97	D	39.5	Very low	37.8	Very low	29 Å²	29	97 Å²	97	16%	0.155	51%	0.507	C	S	.	.	H	α-helix	trans	-64	-43.9	174.3	-58.8	-47.1	0	0	0	111.3	L93 T94 Y99 R100 I101	L93-D97 HydrophobicContact CB-CB 4.4Å; L93-D97 HydrophobicContact CD2-CB 3.85Å; T94-D97 WeakPolarHBondContact CB-OD2 3.44Å; T94-D97 PolarHBondContact N-OD2 3.1Å; T94-D97 WeakPolarHBondContact O-CB 3.47Å; T94-D97 PolarHBondContact O-N 2.89Å; T94-D97 PolarHBondContact OG1-N 2.86Å; T94-D97 PolarHBondContact OG1-OD2 3.27Å; D97-Y99 VanDerWaalsContact C-N 3.34Å; D97-Y99 PolarHBondContact O-N 3.49Å; D97-R100 PolarHBondContact O-N 3.39Å; D97-R100 IonicContact OD1-CZ 3.2Å; D97-R100 IonicContact OD1-NH1 2.79Å; D97-R100 PolarHBondContact OD1-NH1 2.85Å; D97-R100 IonicContact OD1-NH2 2.69Å; D97-R100 PolarHBondContact OD1-NH2 2.71Å; D97-I101 WeakPolarHBondContact O-CB 3.26Å; D97-I101 WeakPolarHBondContact O-CD1 3.41Å; D97-I101 WeakPolarHBondContact O-CG1 3.47Å; D97-I101 PolarHBondContact O-N 3.14Å
98	I	40.9	Very low	38.8	Very low	105 Å²	105	91.5 Å²	91.5	54%	0.538	48%	0.481	S	S	.	.	H	α-helix	trans	-61.5	-45	177.2	-61.2	172	0	0	0	110.4	T94 V95 I101 G102	T94-I98 PolarHBondContact O-N 3.38Å; V95-I98 PolarHBondContact O-N 3.38Å; I98-I101 PolarHBondContact O-N 3.4Å; I98-G102 PolarHBondContact O-N 3.03Å
99	Y	40.1	Very low	39.7	Very low	161 Å²	161	90.4 Å²	90.4	63%	0.631	48%	0.475	S	S	*	.	H	α-helix	trans	-64.2	-41.5	178.6	-169.5	-102.3	0	0	0	112.1	V95 E96 D97 G102 N103	V95-Y99 WeakPolarHBondContact O-CB 3.36Å; V95-Y99 PolarHBondContact O-N 2.93Å; E96-Y99 PolarHBondContact O-N 3.44Å; D97-Y99 VanDerWaalsContact C-N 3.34Å; D97-Y99 PolarHBondContact O-N 3.49Å; Y99-G102 PolarHBondContact O-N 2.82Å; Y99-N103 WeakPolarHBondContact CD1-ND2 3.5Å; Y99-N103 WeakPolarHBondContact CE1-ND2 3.36Å; Y99-N103 PolarHBondContact O-N 3.46Å
100	R	43.8	Very low	40.8	Very low	95 Å²	95	84.3 Å²	84.3	36%	0.358	44%	0.436	S	S	.	.	H	α-helix	trans	-61.6	-48.1	175.8	-174.7	172.9	67.6	-106.4	1	111.4	E96 D97 G102 N103 E104	E96-R100 WeakPolarHBondContact O-CB 3.36Å; E96-R100 PolarHBondContact O-N 2.81Å; D97-R100 PolarHBondContact O-N 3.39Å; D97-R100 IonicContact OD1-CZ 3.2Å; D97-R100 IonicContact OD1-NH1 2.79Å; D97-R100 PolarHBondContact OD1-NH1 2.85Å; D97-R100 IonicContact OD1-NH2 2.69Å; D97-R100 PolarHBondContact OD1-NH2 2.71Å; R100-G102 VanDerWaalsContact C-N 3.32Å; R100-G102 PolarHBondContact O-N 3.05Å; R100-N103 PolarHBondContact O-N 3.41Å; R100-E104 WeakPolarHBondContact CG-OE1 3.45Å; R100-E104 WeakPolarHBondContact O-CG 3.42Å; R100-E104 PolarHBondContact O-N 3.4Å
101	I	44.3	Very low	41.8	Very low	53 Å²	53	86.4 Å²	86.4	27%	0.272	44%	0.444	S	S	.	.	H	α-helix	trans	-59	-44.5	177.6	-68.7	162.9	0	0	0	110.8	D97 I98 N103 E104 T105	D97-I101 WeakPolarHBondContact O-CB 3.26Å; D97-I101 WeakPolarHBondContact O-CD1 3.41Å; D97-I101 WeakPolarHBondContact O-CG1 3.47Å; D97-I101 PolarHBondContact O-N 3.14Å; I98-I101 PolarHBondContact O-N 3.4Å; I101-N103 PolarHBondContact O-N 3.44Å; I101-E104 PolarHBondContact O-N 3.46Å; I101-T105 WeakPolarHBondContact O-CB 3.28Å; I101-T105 PolarHBondContact O-N 3.49Å; I101-T105 PolarHBondContact O-OG1 2.95Å
102	G	44.6	Very low	42.4	Very low	41 Å²	41	83 Å²	83	42%	0.423	42%	0.421	S	S	.	.	H	α-helix	trans	-59.8	-45.9	176.4	0	0	0	0	0	112.5	I98 Y99 R100 T105 K106	I98-G102 PolarHBondContact O-N 3.03Å; Y99-G102 PolarHBondContact O-N 2.82Å; R100-G102 VanDerWaalsContact C-N 3.32Å; R100-G102 PolarHBondContact O-N 3.05Å; G102-T105 PolarHBondContact O-N 2.95Å; G102-K106 PolarHBondContact O-N 3.4Å
103	N	46.7	Very low	43.1	Very low	67 Å²	67	77.1 Å²	77.1	36%	0.358	39%	0.393	S	S	.	.	H	α-helix	trans	-67	-41.5	179.3	-82.7	-20.8	0	0	0	113.3	Y99 R100 I101 T105 K106 Q107	Y99-N103 WeakPolarHBondContact CD1-ND2 3.5Å; Y99-N103 WeakPolarHBondContact CE1-ND2 3.36Å; Y99-N103 PolarHBondContact O-N 3.46Å; R100-N103 PolarHBondContact O-N 3.41Å; I101-N103 PolarHBondContact O-N 3.44Å; N103-T105 VanDerWaalsContact C-N 3.3Å; N103-T105 PolarHBondContact O-N 3.03Å; N103-K106 PolarHBondContact O-N 2.83Å; N103-Q107 WeakPolarHBondContact O-CG 3.39Å; N103-Q107 PolarHBondContact O-N 2.73Å
104	E	47.4	Very low	43.6	Very low	79 Å²	79	73.8 Å²	73.8	37%	0.369	37%	0.374	S	S	.	.	H	α-helix	trans	-62.4	-40	175.7	-73.9	177.9	-171.3	0	0	111.5	I57 R100 I101 Q107 T108	I57-E104 WeakPolarHBondContact CD1-OE2 3.21Å; R100-E104 WeakPolarHBondContact CG-OE1 3.45Å; R100-E104 WeakPolarHBondContact O-CG 3.42Å; R100-E104 PolarHBondContact O-N 3.4Å; I101-E104 PolarHBondContact O-N 3.46Å; E104-Q107 PolarHBondContact O-N 3Å; E104-T108 WeakPolarHBondContact O-CB 2.83Å; E104-T108 PolarHBondContact O-N 3.48Å; E104-T108 PolarHBondContact O-OG1 2.77Å
105	T	45.9	Very low	44.2	Very low	48 Å²	48	73.3 Å²	73.3	29%	0.294	37%	0.373	S	S	.	.	H	α-helix	trans	-63.7	-44.4	175.9	-55.7	0	0	0	0	111.2	I101 G102 N103 T108 T109	I101-T105 WeakPolarHBondContact O-CB 3.28Å; I101-T105 PolarHBondContact O-N 3.49Å; I101-T105 PolarHBondContact O-OG1 2.95Å; G102-T105 PolarHBondContact O-N 2.95Å; N103-T105 VanDerWaalsContact C-N 3.3Å; N103-T105 PolarHBondContact O-N 3.03Å; T105-T108 PolarHBondContact O-N 2.96Å; T105-T109 WeakPolarHBondContact O-CB 3.41Å; T105-T109 PolarHBondContact O-N 2.98Å; T105-T109 PolarHBondContact O-OG1 2.77Å
106	K	46.6	Very low	44.2	Very low	112 Å²	112	71.6 Å²	71.6	49%	0.487	35%	0.354	S	S	.	.	H	α-helix	trans	-59.8	-48.2	175.3	-176.8	-178.8	176.1	-175.3	0	111.6	G102 N103 T108 T109 L110	G102-K106 PolarHBondContact O-N 3.4Å; N103-K106 PolarHBondContact O-N 2.83Å; K106-T108 PolarHBondContact O-N 3.02Å; K106-T109 PolarHBondContact O-N 2.7Å; K106-L110 HydrophobicContact CG-CD1 4.31Å; K106-L110 WeakPolarHBondContact O-CG 3.47Å; K106-L110 PolarHBondContact O-N 2.74Å
107	Q	47.3	Very low	44.1	Very low	67 Å²	67	68 Å²	68	31%	0.313	34%	0.34	S	S	.	.	H	α-helix	trans	-63.5	-41.9	-179.6	-75.3	-62.9	-29	0	0	112.7	N103 E104 L110 K111 L133	N103-Q107 WeakPolarHBondContact O-CG 3.39Å; N103-Q107 PolarHBondContact O-N 2.73Å; E104-Q107 PolarHBondContact O-N 3Å; Q107-L110 PolarHBondContact O-N 3.09Å; Q107-K111 WeakPolarHBondContact O-CG 3.19Å; Q107-K111 PolarHBondContact O-N 3.39Å; Q107-L133 PolarHBondContact NE2-O 3.27Å; Q107-L133 PolarHBondContact OE1-O 2.78Å
108	T	45.9	Very low	44.3	Very low	44 Å²	44	75.3 Å²	75.3	27%	0.27	37%	0.37	S	S	.	.	H	α-helix	trans	-64	-45	178.6	-57.1	0	0	0	0	110.7	E104 T105 K106 L110 K111 I112	E104-T108 WeakPolarHBondContact O-CB 2.83Å; E104-T108 PolarHBondContact O-N 3.48Å; E104-T108 PolarHBondContact O-OG1 2.77Å; T105-T108 PolarHBondContact O-N 2.96Å; K106-T108 PolarHBondContact O-N 3.02Å; T108-L110 PolarHBondContact O-N 3.09Å; T108-K111 PolarHBondContact O-N 3.38Å; T108-I112 HydrophobicContact CG2-CD1 4.04Å; T108-I112 VanDerWaalsContact O-CG1 3.31Å; T108-I112 WeakPolarHBondContact O-CG1 3.31Å; T108-I112 PolarHBondContact O-N 3.44Å
109	T	43.4	Very low	44.1	Very low	49 Å²	49	76.2 Å²	76.2	30%	0.301	37%	0.372	S	S	.	.	H	α-helix	trans	-59.6	-45.3	176.5	-54.3	0	0	0	0	111.8	T105 K106 K111 I112 I113	T105-T109 WeakPolarHBondContact O-CB 3.41Å; T105-T109 PolarHBondContact O-N 2.98Å; T105-T109 PolarHBondContact O-OG1 2.77Å; K106-T109 PolarHBondContact O-N 2.7Å; T109-K111 PolarHBondContact O-N 2.98Å; T109-I112 PolarHBondContact O-N 3.17Å; T109-I113 HydrophobicContact CG2-CD1 4.14Å; T109-I113 WeakPolarHBondContact O-CG1 3.37Å; T109-I113 PolarHBondContact O-N 3.06Å
110	L	45.8	Very low	43.8	Very low	19 Å²	19	72 Å²	72	10%	0.099	36%	0.359	C	S	.	.	H	α-helix	trans	-62.2	-41	177.1	-72.7	173.6	0	0	0	112.7	K106 Q107 T108 I112 I113 Q114 I131	K106-L110 HydrophobicContact CG-CD1 4.31Å; K106-L110 WeakPolarHBondContact O-CG 3.47Å; K106-L110 PolarHBondContact O-N 2.74Å; Q107-L110 PolarHBondContact O-N 3.09Å; T108-L110 PolarHBondContact O-N 3.09Å; L110-I112 VanDerWaalsContact C-N 3.33Å; L110-I112 PolarHBondContact O-N 3.02Å; L110-I113 PolarHBondContact O-N 3.26Å; L110-Q114 WeakPolarHBondContact O-CG 3.33Å; L110-Q114 PolarHBondContact O-N 3.45Å; L110-I131 HydrophobicContact CD2-CG2 3.97Å
111	K	49.2	Very low	43	Very low	124 Å²	124	72.3 Å²	72.3	54%	0.539	37%	0.374	S	S	.	.	H	α-helix	trans	-62.9	-40.6	176	-74.8	174.8	-177.2	175.6	0	112	Q107 T108 T109 Q114 S115 L133	Q107-K111 WeakPolarHBondContact O-CG 3.19Å; Q107-K111 PolarHBondContact O-N 3.39Å; T108-K111 PolarHBondContact O-N 3.38Å; T109-K111 PolarHBondContact O-N 2.98Å; K111-Q114 PolarHBondContact O-N 3.03Å; K111-S115 WeakPolarHBondContact O-CB 3.31Å; K111-S115 PolarHBondContact O-N 2.98Å; K111-L133 HydrophobicContact CG-CD2 4.03Å
112	I	43.3	Very low	42.5	Very low	25 Å²	25	75.5 Å²	75.5	13%	0.128	40%	0.396	C	S	.	.	H	α-helix	trans	-62.3	-49	176.8	-68.7	165.5	0	0	0	109.8	E49 T108 T109 L110 Q114 S115 Y116	E49-I112 VanDerWaalsContact OE2-CD1 3.3Å; E49-I112 WeakPolarHBondContact OE2-CD1 3.49Å; T108-I112 HydrophobicContact CG2-CD1 4.04Å; T108-I112 VanDerWaalsContact O-CG1 3.31Å; T108-I112 WeakPolarHBondContact O-CG1 3.31Å; T108-I112 PolarHBondContact O-N 3.44Å; T109-I112 PolarHBondContact O-N 3.17Å; L110-I112 VanDerWaalsContact C-N 3.33Å; L110-I112 PolarHBondContact O-N 3.02Å; I112-Q114 VanDerWaalsContact C-N 3.34Å; I112-Q114 PolarHBondContact O-N 3.48Å; I112-S115 WeakPolarHBondContact O-CA 3.16Å; I112-S115 VanDerWaalsContact O-CB 3.3Å; I112-S115 WeakPolarHBondContact O-CB 3.3Å; I112-S115 PolarHBondContact O-N 3.37Å; I112-Y116 HydrophobicContact CG2-CD2 3.74Å; I112-Y116 HydrophobicContact CG2-CE2 3.43Å; I112-Y116 VanDerWaalsContact CG2-CE2 3.43Å; I112-Y116 WeakPolarHBondContact O-CD2 3.5Å; I112-Y116 PolarHBondContact O-N 3Å
113	I	42.9	Very low	41.7	Very low	53 Å²	53	79.8 Å²	79.8	27%	0.272	40%	0.403	S	S	.	.	H	α-helix	trans	-56.7	-47.2	177.3	-66.8	166.1	0	0	0	111	T109 L110 S115 Y116 D117	T109-I113 HydrophobicContact CG2-CD1 4.14Å; T109-I113 WeakPolarHBondContact O-CG1 3.37Å; T109-I113 PolarHBondContact O-N 3.06Å; L110-I113 PolarHBondContact O-N 3.26Å; I113-S115 VanDerWaalsContact C-N 3.29Å; I113-S115 PolarHBondContact O-N 3.34Å; I113-Y116 PolarHBondContact O-N 3.43Å; I113-Y116 VanDerWaalsContact O-N 3.16Å; I113-D117 PolarHBondContact O-N 3.4Å
114	Q	45.9	Very low	40.8	Very low	35 Å²	35	82.1 Å²	82.1	16%	0.164	42%	0.415	C	S	.	.	H	α-helix	trans	-64.3	-33.4	177.2	-72.1	178	-9.3	0	0	113.1	L110 K111 I112 Y116 D117 K118 I131	L110-Q114 WeakPolarHBondContact O-CG 3.33Å; L110-Q114 PolarHBondContact O-N 3.45Å; K111-Q114 PolarHBondContact O-N 3.03Å; I112-Q114 VanDerWaalsContact C-N 3.34Å; I112-Q114 PolarHBondContact O-N 3.48Å; Q114-Y116 VanDerWaalsContact C-N 3.33Å; Q114-D117 PolarHBondContact O-N 2.97Å; Q114-K118 WeakPolarHBondContact O-CG 3.3Å; Q114-K118 PolarHBondContact O-N 2.91Å; Q114-K118 VanDerWaalsContact O-N 3.08Å; Q114-I131 PolarHBondContact NE2-O 3.25Å
115	S	45.5	Very low	39.8	Very low	59 Å²	59	87.7 Å²	87.7	41%	0.413	43%	0.432	S	S	.	.	H	α-helix	trans	-64.9	-39.3	174.4	-172.6	0	0	0	0	111.3	K111 I112 I113 Q119	K111-S115 WeakPolarHBondContact O-CB 3.31Å; K111-S115 PolarHBondContact O-N 2.98Å; I112-S115 WeakPolarHBondContact O-CA 3.16Å; I112-S115 VanDerWaalsContact O-CB 3.3Å; I112-S115 WeakPolarHBondContact O-CB 3.3Å; I112-S115 PolarHBondContact O-N 3.37Å; I113-S115 VanDerWaalsContact C-N 3.29Å; I113-S115 PolarHBondContact O-N 3.34Å; S115-Q119 WeakPolarHBondContact O-CG 3.41Å; S115-Q119 PolarHBondContact O-N 2.84Å; S115-Q119 PolarHBondContact O-NE2 3.14Å; S115-Q119 VanDerWaalsContact O-NE2 3.14Å
116	Y	39	Very low	39	Very low	90 Å²	90	88 Å²	88	35%	0.353	44%	0.436	S	S	.	.	H	α-helix	trans	-68.8	-41.6	173.6	-76.1	-68.5	0	0	0	112.1	R45 I112 I113 Q114 K118 Q119 I120	R45-Y116 PolarHBondContact NE-OH 3.37Å; R45-Y116 PolarHBondContact NH2-OH 2.98Å; I112-Y116 HydrophobicContact CG2-CD2 3.74Å; I112-Y116 HydrophobicContact CG2-CE2 3.43Å; I112-Y116 VanDerWaalsContact CG2-CE2 3.43Å; I112-Y116 WeakPolarHBondContact O-CD2 3.5Å; I112-Y116 PolarHBondContact O-N 3Å; I113-Y116 PolarHBondContact O-N 3.43Å; I113-Y116 VanDerWaalsContact O-N 3.16Å; Q114-Y116 VanDerWaalsContact C-N 3.33Å; Y116-K118 VanDerWaalsContact C-N 3.27Å; Y116-K118 PolarHBondContact O-N 2.84Å; Y116-Q119 PolarHBondContact O-N 3.14Å; Y116-I120 PolarHBondContact O-N 2.98Å
117	D	39.1	Very low	38.3	Very low	74 Å²	74	85.8 Å²	85.8	40%	0.396	43%	0.433	S	S	.	.	H	α-helix	trans	-58.9	-38.6	177.2	-167.5	41.2	0	0	0	111.9	I113 Q114 Q119 I120	I113-D117 PolarHBondContact O-N 3.4Å; Q114-D117 PolarHBondContact O-N 2.97Å; D117-Q119 VanDerWaalsContact C-N 3.32Å; D117-Q119 PolarHBondContact O-N 3.45Å; D117-I120 PolarHBondContact O-N 3.19Å
118	K	42.4	Very low	37.8	Very low	181 Å²	181	86.8 Å²	86.8	79%	0.787	44%	0.44	S	S	*	.	H	α-helix	trans	-68.9	-25.7	174	-72.5	178.8	-176.9	179.5	0	114.3	Q114 Y116	Q114-K118 WeakPolarHBondContact O-CG 3.3Å; Q114-K118 PolarHBondContact O-N 2.91Å; Q114-K118 VanDerWaalsContact O-N 3.08Å; Y116-K118 VanDerWaalsContact C-N 3.27Å; Y116-K118 PolarHBondContact O-N 2.84Å
119	Q	38.2	Very low	37.5	Very low	125 Å²	125	88.4 Å²	88.4	58%	0.584	45%	0.447	S	S	*	.	H	α-helix	trans	-86.4	-13.9	-179.4	-75.6	177.1	81.1	0	0	112.9	S115 Y116 D117 P121	S115-Q119 WeakPolarHBondContact O-CG 3.41Å; S115-Q119 PolarHBondContact O-N 2.84Å; S115-Q119 PolarHBondContact O-NE2 3.14Å; S115-Q119 VanDerWaalsContact O-NE2 3.14Å; Y116-Q119 PolarHBondContact O-N 3.14Å; D117-Q119 VanDerWaalsContact C-N 3.32Å; D117-Q119 PolarHBondContact O-N 3.45Å; Q119-P121 WeakPolarHBondContact O-CD 3.38Å; Q119-P121 VanDerWaalsContact O-N 3.09Å
120	I	32.7	Very low	37.3	Very low	72 Å²	72	91 Å²	91	37%	0.369	46%	0.456	S	S	.	.	S	Bend	trans	-62.5	114.8	171.3	-59	174.5	0	0	0	106.8	Y116 D117 T122	Y116-I120 PolarHBondContact O-N 2.98Å; D117-I120 PolarHBondContact O-N 3.19Å; I120-T122 PolarHBondContact O-N 2.97Å
121	P	28	Very low	36.9	Very low	102 Å²	102	92.3 Å²	92.3	66%	0.662	46%	0.462	S	S	*	.			trans	-54.2	131.8	178.1	-21.7	32.3	0	0	0	108	Q119 F123	Q119-P121 WeakPolarHBondContact O-CD 3.38Å; Q119-P121 VanDerWaalsContact O-N 3.09Å; P121-F123 PolarHBondContact O-N 3.31Å
122	T	33.1	Very low	36.5	Very low	120 Å²	120	88 Å²	88	74%	0.736	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-50.8	1.6	-173.4	-35.7	0	0	0	0	115.7	I120 I124	I120-T122 PolarHBondContact O-N 2.97Å; T122-I124 VanDerWaalsContact C-N 3.28Å; T122-I124 PolarHBondContact O-N 3.43Å
123	F	27.4	Very low	36.4	Very low	131 Å²	131	90.6 Å²	90.6	58%	0.575	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-68.9	-19.5	178.5	-133.5	-86.4	0	0	0	114.4	P121 C149 I157	P121-F123 PolarHBondContact O-N 3.31Å; F123-C149 HydrophobicContact CE1-CB 4.29Å; F123-C149 VanDerWaalsContact CE1-SG 3.52Å; F123-I157 HydrophobicContact CD1-CD1 3.74Å; F123-I157 HydrophobicContact CE1-CD1 3.1Å; F123-I157 HydrophobicContact CE2-CD1 4.31Å; F123-I157 HydrophobicContact CZ-CD1 3.44Å; F123-I157 VanDerWaalsContact CZ-CD1 3.44Å
124	I	27.3	Very low	36.3	Very low	116 Å²	116	94.6 Å²	94.6	60%	0.595	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-124.4	66	173.5	-44.7	-173.3	0	0	0	109	T122 S126	T122-I124 VanDerWaalsContact C-N 3.28Å; T122-I124 PolarHBondContact O-N 3.43Å; I124-S126 PolarHBondContact O-N 2.91Å
125	R	26.9	Very low	35.8	Very low	196 Å²	196	94.3 Å²	94.3	74%	0.74	48%	0.483	S	S	*	.			trans	-72	66.2	155.3	-106.5	-173.2	-179.4	-149.5	1.3	108.5
126	S	29.6	Very low	35.6	Very low	53 Å²	53	95.4 Å²	95.4	37%	0.371	48%	0.484	S	S	.	.			trans	-59	137.4	147.4	-73.7	0	0	0	0	105.8	I124 L128	I124-S126 PolarHBondContact O-N 2.91Å; S126-L128 PolarHBondContact O-N 3.16Å
127	P	31.3	Very low	35.6	Very low	66 Å²	66	95 Å²	95	43%	0.429	49%	0.491	S	S	.	.			trans	-67.6	71.9	175.1	27.1	-31.6	0	0	0	108.6	P140	P127-P140 HydrophobicContact CB-CB 4.36Å; P127-P140 HydrophobicContact CB-CG 3.63Å; P127-P140 WeakPolarHBondContact O-CG 3.31Å
128	L	36.5	Very low	35.6	Very low	88 Å²	88	95.4 Å²	95.4	46%	0.461	49%	0.493	S	S	.	.			trans	-80.1	134.3	179	-70	170.5	0	0	0	108	S126 H130 P140	S126-L128 PolarHBondContact O-N 3.16Å; L128-H130 PolarHBondContact O-N 3.33Å; L128-P140 WeakPolarHBondContact O-CG 3.37Å
129	N	39.3	Very low	35.5	Very low	79 Å²	79	94.6 Å²	94.6	42%	0.422	49%	0.492	S	S	.	.			trans	-58.7	123.1	-178.3	-59.4	-43.1	0	0	0	110	I131 V137 N138 Q139	N129-I131 PolarHBondContact O-N 2.88Å; N129-V137 HydrophobicContact CB-CG1 3.3Å; N129-N138 CarbonylContact C-O 3.48Å; N129-N138 VanDerWaalsContact CA-O 3.25Å; N129-N138 WeakPolarHBondContact CA-O 3.41Å; N129-Q139 WeakPolarHBondContact OD1-CA 3.37Å; N129-Q139 WeakPolarHBondContact OD1-CG 3.5Å
130	H	40.2	Very low	35.6	Very low	102 Å²	102	91 Å²	91	47%	0.472	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	114.3	177.3	-171.5	-5.5	0	0	0	108.4	L128 N138	L128-H130 PolarHBondContact O-N 3.33Å; H130-N138 PolarHBondContact N-O 3.38Å; H130-N138 WeakPolarHBondContact O-CB 3.4Å; H130-N138 PolarHBondContact O-N 3.08Å
131	I	37	Very low	35.9	Very low	47 Å²	47	96.9 Å²	96.9	24%	0.241	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	120.5	170.8	-51.4	-178.7	0	0	0	108.1	L110 Q114 N129 N136 V137	L110-I131 HydrophobicContact CD2-CG2 3.97Å; Q114-I131 PolarHBondContact NE2-O 3.25Å; N129-I131 PolarHBondContact O-N 2.88Å; I131-N136 VanDerWaalsContact CA-O 3.31Å; I131-N136 WeakPolarHBondContact CA-O 3.34Å; I131-V137 HydrophobicContact CG1-CG2 4.26Å
132	D	41	Very low	36.4	Very low	35 Å²	35	98.5 Å²	98.5	19%	0.187	50%	0.504	C	S	.	.			trans	-76.6	175.4	176.3	70.2	19.1	0	0	0	112.1	Q134 G135 N136	D132-Q134 PolarHBondContact O-N 2.67Å; D132-Q134 VanDerWaalsContact O-N 3.14Å; D132-Q134 VanDerWaalsContact OD1-CA 3.31Å; D132-Q134 WeakPolarHBondContact OD1-CA 3.38Å; D132-Q134 WeakPolarHBondContact OD1-CB 3.44Å; D132-Q134 PolarHBondContact OD1-N 2.88Å; D132-G135 PolarHBondContact O-N 3.28Å; D132-G135 PolarHBondContact OD1-N 3.21Å; D132-N136 PolarHBondContact N-O 3.23Å; D132-N136 PolarHBondContact OD1-N 3.44Å; D132-N136 PolarHBondContact OD1-ND2 2.92Å; D132-N136 WeakPolarHBondContact OD2-CB 3.46Å; D132-N136 PolarHBondContact OD2-ND2 3.43Å
133	L	40.1	Very low	36.5	Very low	78 Å²	78	98.2 Å²	98.2	41%	0.408	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-13.2	178.3	-67.8	173.1	0	0	0	113.5	Q107 K111	Q107-L133 PolarHBondContact NE2-O 3.27Å; Q107-L133 PolarHBondContact OE1-O 2.78Å; K111-L133 HydrophobicContact CG-CD2 4.03Å
134	Q	41.3	Very low	37	Very low	138 Å²	138	97.4 Å²	97.4	65%	0.645	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-10.4	176.1	-67.3	141.5	42.6	0	0	111.5	D132 N136	D132-Q134 PolarHBondContact O-N 2.67Å; D132-Q134 VanDerWaalsContact O-N 3.14Å; D132-Q134 VanDerWaalsContact OD1-CA 3.31Å; D132-Q134 WeakPolarHBondContact OD1-CA 3.38Å; D132-Q134 WeakPolarHBondContact OD1-CB 3.44Å; D132-Q134 PolarHBondContact OD1-N 2.88Å; Q134-N136 WeakPolarHBondContact CB-ND2 3.25Å; Q134-N136 PolarHBondContact OE1-ND2 2.86Å
135	G	36.4	Very low	37.4	Very low	29 Å²	29	98.6 Å²	98.6	30%	0.299	52%	0.518	S	S	.	.			trans	91.7	10.2	-176.6	0	0	0	0	0	113.4	D132	D132-G135 PolarHBondContact O-N 3.28Å; D132-G135 PolarHBondContact OD1-N 3.21Å
136	N	40.1	Very low	37.8	Very low	82 Å²	82	95.1 Å²	95.1	44%	0.439	51%	0.514	S	S	.	.			trans	-81.7	132.4	179.3	-49.4	-54	0	0	0	110.3	I131 D132 Q134 N138	I131-N136 VanDerWaalsContact CA-O 3.31Å; I131-N136 WeakPolarHBondContact CA-O 3.34Å; D132-N136 PolarHBondContact N-O 3.23Å; D132-N136 PolarHBondContact OD1-N 3.44Å; D132-N136 PolarHBondContact OD1-ND2 2.92Å; D132-N136 WeakPolarHBondContact OD2-CB 3.46Å; D132-N136 PolarHBondContact OD2-ND2 3.43Å; Q134-N136 WeakPolarHBondContact CB-ND2 3.25Å; Q134-N136 PolarHBondContact OE1-ND2 2.86Å; N136-N138 PolarHBondContact O-N 3.03Å
137	V	40.3	Very low	38.2	Very low	81 Å²	81	102.3 Å²	102.3	49%	0.491	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	102.1	-179.2	-178	0	0	0	0	109.2	N129 I131	N129-V137 HydrophobicContact CB-CG1 3.3Å; I131-V137 HydrophobicContact CG1-CG2 4.26Å
138	N	39	Very low	38.6	Very low	82 Å²	82	106.6 Å²	106.6	44%	0.439	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.2	118.9	178.2	-64.7	-65.8	0	0	0	110.7	N129 H130 N136 P140	N129-N138 CarbonylContact C-O 3.48Å; N129-N138 VanDerWaalsContact CA-O 3.25Å; N129-N138 WeakPolarHBondContact CA-O 3.41Å; H130-N138 PolarHBondContact N-O 3.38Å; H130-N138 WeakPolarHBondContact O-CB 3.4Å; H130-N138 PolarHBondContact O-N 3.08Å; N136-N138 PolarHBondContact O-N 3.03Å; N138-P140 WeakPolarHBondContact O-CD 3.39Å
139	Q	39.2	Very low	38.5	Very low	164 Å²	164	105.3 Å²	105.3	77%	0.766	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-70.2	122.5	172.9	-65.8	-171.9	-11.8	0	0	110.2	N129 K141	N129-Q139 WeakPolarHBondContact OD1-CA 3.37Å; N129-Q139 WeakPolarHBondContact OD1-CG 3.5Å; Q139-K141 PolarHBondContact O-N 2.97Å
140	P	41	Very low	38.4	Very low	51 Å²	51	104.2 Å²	104.2	33%	0.331	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-65.9	125.4	171.1	23.6	-31.4	0	0	0	109.5	P127 L128 N138 I142	P127-P140 HydrophobicContact CB-CB 4.36Å; P127-P140 HydrophobicContact CB-CG 3.63Å; P127-P140 WeakPolarHBondContact O-CG 3.31Å; L128-P140 WeakPolarHBondContact O-CG 3.37Å; N138-P140 WeakPolarHBondContact O-CD 3.39Å; P140-I142 PolarHBondContact O-N 3.15Å
141	K	38.5	Very low	38.4	Very low	194 Å²	194	103.1 Å²	103.1	84%	0.843	56%	0.559	S	S	*	*			trans	-56	113.1	168.4	-73.3	179.5	179.6	176.5	0	108	Q139 V143	Q139-K141 PolarHBondContact O-N 2.97Å; K141-V143 PolarHBondContact O-N 2.95Å
142	I	38.3	Very low	38.6	Very low	137 Å²	137	107.2 Å²	107.2	70%	0.703	58%	0.581	S	S	*	*			trans	-57.9	107.1	176.3	-59.8	170.9	0	0	0	107.5	P140 P144	P140-I142 PolarHBondContact O-N 3.15Å; I142-P144 WeakPolarHBondContact O-CD 3.17Å
143	V	36.1	Very low	38.8	Very low	113 Å²	113	109 Å²	109	69%	0.685	59%	0.59	S	S	*	*			trans	-85.9	113.9	170	-170.8	0	0	0	0	106.4	K141 N145	K141-V143 PolarHBondContact O-N 2.95Å; V143-N145 PolarHBondContact O-N 3.34Å
144	P	38.3	Very low	39.1	Very low	115 Å²	115	109 Å²	109	75%	0.747	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	1.9	-164.6	-20.6	32.1	0	0	0	116.8	I142	I142-P144 WeakPolarHBondContact O-CD 3.17Å
145	N	35.6	Very low	39.4	Very low	141 Å²	141	107.6 Å²	107.6	75%	0.754	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	3.3	-164	-87.5	9.3	0	0	0	116.7	V143 K147	V143-N145 PolarHBondContact O-N 3.34Å; N145-K147 PolarHBondContact O-N 2.98Å
146	N	35.9	Very low	40	Very low	123 Å²	123	110.5 Å²	110.5	66%	0.658	60%	0.596	S	S	*	*			trans	-88.1	100	174.1	-78.9	14.6	0	0	0	109.5	F148	N146-F148 WeakPolarHBondContact O-CD2 3.35Å; N146-F148 PolarHBondContact O-N 3.38Å
147	K	37.1	Very low	40.5	Very low	204 Å²	204	109.2 Å²	109.2	89%	0.887	59%	0.588	S	S	*	*			trans	-44.9	100.4	168.7	-64.6	177.2	-179.4	179.3	0	109	N145 C149	N145-K147 PolarHBondContact O-N 2.98Å; K147-C149 PolarHBondContact O-N 3.09Å
148	F	39.4	Very low	40.9	Very low	156 Å²	156	112.3 Å²	112.3	68%	0.684	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-57.5	127.7	167.8	-76.8	-89.1	0	0	0	107.2	N146 A150	N146-F148 WeakPolarHBondContact O-CD2 3.35Å; N146-F148 PolarHBondContact O-N 3.38Å; F148-A150 PolarHBondContact O-N 3.18Å; F148-A150 VanDerWaalsContact O-N 3.13Å
149	C	34.8	Very low	41.5	Very low	60 Å²	60	111.8 Å²	111.8	41%	0.405	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-50	122.6	176.6	-67.6	0	0	0	0	108.7	F123 K147 D153	F123-C149 HydrophobicContact CE1-CB 4.29Å; F123-C149 VanDerWaalsContact CE1-SG 3.52Å; K147-C149 PolarHBondContact O-N 3.09Å; C149-D153 WeakPolarHBondContact CA-OD2 3.49Å; C149-D153 HydrophobicContact CB-CB 3.8Å
150	A	36.7	Very low	42	Very low	56 Å²	56	109 Å²	109	46%	0.463	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-60.5	150.1	-179.2	0	0	0	0	0	108.1	F148 N152 D153	F148-A150 PolarHBondContact O-N 3.18Å; F148-A150 VanDerWaalsContact O-N 3.13Å; A150-N152 PolarHBondContact O-N 3.3Å; A150-D153 PolarHBondContact N-OD2 3.08Å; A150-D153 WeakPolarHBondContact O-CB 3.5Å; A150-D153 PolarHBondContact O-N 3.1Å
151	A	41.3	Very low	42.4	Very low	80 Å²	80	111 Å²	111	66%	0.661	58%	0.582	S	S	*	*	H	α-helix	trans	-49.3	-26.5	-175.7	0	0	0	0	0	114.2	D153 V154 H155	A151-D153 VanDerWaalsContact C-N 3.32Å; A151-D153 PolarHBondContact O-N 3.41Å; A151-V154 PolarHBondContact O-N 3Å; A151-H155 PolarHBondContact O-N 3.32Å
152	N	41.3	Very low	43.1	Very low	133 Å²	133	108.7 Å²	108.7	71%	0.711	57%	0.572	S	S	*	*	H	α-helix	trans	-60.7	-36	174	-60.6	-16.4	0	0	0	113.1	A150 H155 N156	A150-N152 PolarHBondContact O-N 3.3Å; N152-H155 PolarHBondContact O-N 3.01Å; N152-N156 PolarHBondContact O-N 3.44Å; N152-N156 VanDerWaalsContact O-N 3.15Å
153	D	43.9	Very low	43.9	Very low	71 Å²	71	106.1 Å²	106.1	38%	0.38	57%	0.567	S	S	.	*	H	α-helix	trans	-68.8	-39.4	178.5	-65.3	-32.7	0	0	0	111.4	C149 A150 A151 H155 N156 I157	C149-D153 WeakPolarHBondContact CA-OD2 3.49Å; C149-D153 HydrophobicContact CB-CB 3.8Å; A150-D153 PolarHBondContact N-OD2 3.08Å; A150-D153 WeakPolarHBondContact O-CB 3.5Å; A150-D153 PolarHBondContact O-N 3.1Å; A151-D153 VanDerWaalsContact C-N 3.32Å; A151-D153 PolarHBondContact O-N 3.41Å; D153-H155 VanDerWaalsContact C-N 3.32Å; D153-H155 PolarHBondContact O-N 3.17Å; D153-N156 PolarHBondContact O-N 3.32Å; D153-I157 WeakPolarHBondContact O-CD1 3.44Å; D153-I157 VanDerWaalsContact O-CG1 3.29Å; D153-I157 WeakPolarHBondContact O-CG1 3.43Å; D153-I157 PolarHBondContact O-N 3.35Å
154	V	46.8	Very low	44.6	Very low	79 Å²	79	109 Å²	109	48%	0.479	57%	0.57	S	S	.	*	H	α-helix	trans	-62.9	-41.7	177.8	-180	0	0	0	0	110.7	A151 N156 I157 R158	A151-V154 PolarHBondContact O-N 3Å; V154-N156 VanDerWaalsContact C-N 3.32Å; V154-N156 PolarHBondContact O-N 3.45Å; V154-I157 PolarHBondContact O-N 3.42Å; V154-R158 WeakPolarHBondContact O-CB 3.42Å; V154-R158 PolarHBondContact O-N 3.41Å
155	H	47.7	Very low	44.8	Very low	109 Å²	109	110.7 Å²	110.7	51%	0.505	57%	0.566	S	S	.	*	H	α-helix	trans	-63.9	-40.9	176.2	-165.7	84.2	0	0	0	111.4	A151 N152 D153 R158 N159	A151-H155 PolarHBondContact O-N 3.32Å; N152-H155 PolarHBondContact O-N 3.01Å; D153-H155 VanDerWaalsContact C-N 3.32Å; D153-H155 PolarHBondContact O-N 3.17Å; H155-R158 PolarHBondContact O-N 3.47Å; H155-N159 PolarHBondContact CD2-ND2 3.04Å; H155-N159 PolarHBondContact NE2-ND2 2.62Å; H155-N159 PolarHBondContact O-N 2.91Å; H155-N159 VanDerWaalsContact O-N 3.1Å; H155-N159 PolarHBondContact O-ND2 3.5Å
156	N	48.5	Very low	45.3	Very low	89 Å²	89	113.1 Å²	113.1	48%	0.476	57%	0.569	S	S	.	*	H	α-helix	trans	-65.6	-42.6	179.1	-157.3	6.4	0	0	0	112	N152 D153 V154 N159 Q160	N152-N156 PolarHBondContact O-N 3.44Å; N152-N156 VanDerWaalsContact O-N 3.15Å; D153-N156 PolarHBondContact O-N 3.32Å; V154-N156 VanDerWaalsContact C-N 3.32Å; V154-N156 PolarHBondContact O-N 3.45Å; N156-N159 PolarHBondContact O-N 3.27Å; N156-Q160 WeakPolarHBondContact O-CG 3.5Å; N156-Q160 PolarHBondContact O-N 3.18Å
157	I	51.8	Low	45.7	Very low	56 Å²	56	120 Å²	120	29%	0.287	59%	0.594	S	S	.	*	H	α-helix	trans	-63.5	-44.9	176.2	-67.1	162.1	0	0	0	111	F123 D153 V154 N159 Q160 I161	F123-I157 HydrophobicContact CD1-CD1 3.74Å; F123-I157 HydrophobicContact CE1-CD1 3.1Å; F123-I157 HydrophobicContact CE2-CD1 4.31Å; F123-I157 HydrophobicContact CZ-CD1 3.44Å; F123-I157 VanDerWaalsContact CZ-CD1 3.44Å; D153-I157 WeakPolarHBondContact O-CD1 3.44Å; D153-I157 VanDerWaalsContact O-CG1 3.29Å; D153-I157 WeakPolarHBondContact O-CG1 3.43Å; D153-I157 PolarHBondContact O-N 3.35Å; V154-I157 PolarHBondContact O-N 3.42Å; I157-N159 VanDerWaalsContact C-N 3.27Å; I157-N159 PolarHBondContact O-N 3.05Å; I157-Q160 PolarHBondContact O-N 3.47Å; I157-I161 HydrophobicContact CG2-CD1 4.01Å; I157-I161 WeakPolarHBondContact O-CG1 3.43Å; I157-I161 PolarHBondContact O-N 2.92Å
158	R	48.2	Very low	46.1	Very low	145 Å²	145	115.8 Å²	115.8	55%	0.547	58%	0.579	S	S	.	*	H	α-helix	trans	-56.8	-43	176.9	-176.4	-174.2	-71.4	173.4	-2.9	111.5	V154 H155 I161 K162	V154-R158 WeakPolarHBondContact O-CB 3.42Å; V154-R158 PolarHBondContact O-N 3.41Å; H155-R158 PolarHBondContact O-N 3.47Å; R158-I161 PolarHBondContact O-N 3.19Å; R158-K162 WeakPolarHBondContact O-CG 3.47Å; R158-K162 PolarHBondContact O-N 3.44Å; R158-K162 VanDerWaalsContact O-N 3.09Å
159	N	51.6	Low	46.5	Very low	71 Å²	71	113.7 Å²	113.7	38%	0.38	57%	0.574	S	S	.	*	H	α-helix	trans	-69.8	-35.5	179.7	-70	-18.3	0	0	0	112.4	H155 N156 I157 K162 S163	H155-N159 PolarHBondContact CD2-ND2 3.04Å; H155-N159 PolarHBondContact NE2-ND2 2.62Å; H155-N159 PolarHBondContact O-N 2.91Å; H155-N159 VanDerWaalsContact O-N 3.1Å; H155-N159 PolarHBondContact O-ND2 3.5Å; N156-N159 PolarHBondContact O-N 3.27Å; I157-N159 VanDerWaalsContact C-N 3.27Å; I157-N159 PolarHBondContact O-N 3.05Å; N159-K162 PolarHBondContact O-N 2.83Å; N159-S163 PolarHBondContact O-N 3.22Å
160	Q	49	Very low	47.1	Very low	107 Å²	107	116.7 Å²	116.7	50%	0.5	58%	0.583	S	S	.	*	H	α-helix	trans	-66.2	-35.8	173.9	-72.7	-179.3	51.7	0	0	113.1	N156 I157 S163 K164	N156-Q160 WeakPolarHBondContact O-CG 3.5Å; N156-Q160 PolarHBondContact O-N 3.18Å; I157-Q160 PolarHBondContact O-N 3.47Å; Q160-S163 PolarHBondContact O-OG 3.13Å; Q160-S163 VanDerWaalsContact O-OG 3.05Å; Q160-K164 PolarHBondContact O-N 3.31Å
161	I	50	Low	47.7	Very low	93 Å²	93	120.2 Å²	120.2	48%	0.477	59%	0.59	S	S	.	*	H	α-helix	trans	-66.8	-46.8	174.4	-65.7	169.1	0	0	0	109.6	I157 R158 S163 K164 F165	I157-I161 HydrophobicContact CG2-CD1 4.01Å; I157-I161 WeakPolarHBondContact O-CG1 3.43Å; I157-I161 PolarHBondContact O-N 2.92Å; R158-I161 PolarHBondContact O-N 3.19Å; I161-S163 VanDerWaalsContact C-N 3.3Å; I161-S163 PolarHBondContact O-N 2.76Å; I161-K164 PolarHBondContact O-N 3.15Å; I161-F165 HydrophobicContact CG2-CD2 3.9Å; I161-F165 HydrophobicContact CG2-CE2 4.18Å; I161-F165 WeakPolarHBondContact O-CD2 3.29Å; I161-F165 PolarHBondContact O-N 2.86Å; I161-F165 VanDerWaalsContact O-N 3.15Å
162	K	53.1	Low	48.1	Very low	144 Å²	144	122.8 Å²	122.8	63%	0.626	59%	0.586	S	S	*	*	H	α-helix	trans	-60.5	-36.8	178.1	-75.2	-174.2	175.2	-170.2	0	113.2	R158 N159 K164	R158-K162 WeakPolarHBondContact O-CG 3.47Å; R158-K162 PolarHBondContact O-N 3.44Å; R158-K162 VanDerWaalsContact O-N 3.09Å; N159-K162 PolarHBondContact O-N 2.83Å; K162-K164 VanDerWaalsContact C-N 3.35Å
163	S	55.9	Low	48.6	Very low	84 Å²	84	122.1 Å²	122.1	59%	0.587	58%	0.578	S	S	*	*	H	α-helix	trans	-71.4	-30.3	178.5	71.6	0	0	0	0	112.9	N159 Q160 I161	N159-S163 PolarHBondContact O-N 3.22Å; Q160-S163 PolarHBondContact O-OG 3.13Å; Q160-S163 VanDerWaalsContact O-OG 3.05Å; I161-S163 VanDerWaalsContact C-N 3.3Å; I161-S163 PolarHBondContact O-N 2.76Å
164	K	50.7	Low	48.9	Very low	174 Å²	174	125.7 Å²	125.7	76%	0.757	59%	0.592	S	S	*	*	H	α-helix	trans	-76.1	-31	177.2	-79.8	-173.7	175.7	-176.8	0	113.7	Q160 I161 K162	Q160-K164 PolarHBondContact O-N 3.31Å; I161-K164 PolarHBondContact O-N 3.15Å; K162-K164 VanDerWaalsContact C-N 3.35Å
165	F	41.7	Very low	49.1	Very low	150 Å²	150	129.3 Å²	129.3	66%	0.658	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	41	-179.8	-66	-77.2	0	0	0	112.3	I161 F167	I161-F165 HydrophobicContact CG2-CD2 3.9Å; I161-F165 HydrophobicContact CG2-CE2 4.18Å; I161-F165 WeakPolarHBondContact O-CD2 3.29Å; I161-F165 PolarHBondContact O-N 2.86Å; I161-F165 VanDerWaalsContact O-N 3.15Å; F165-F167 WeakPolarHBondContact O-CD2 3.33Å; F165-F167 PolarHBondContact O-N 3.22Å
166	K	46.6	Very low	49.2	Very low	191 Å²	191	131 Å²	131	83%	0.83	61%	0.608	S	S	*	*			trans	-64.9	99.4	176.8	-156.2	179.4	-173.3	-174.9	0	109.2
167	F	43.2	Very low	49.3	Very low	268 Å²	268	134.8 Å²	134.8	100%	1.175	62%	0.62	S	S	*	*			trans	-65.4	0	161.1	-68.4	-86.9	0	0	0	110.2	F165	F165-F167 WeakPolarHBondContact O-CD2 3.33Å; F165-F167 PolarHBondContact O-N 3.22Å

Retrieved 167 of 167 residues in 110 ms (Link to these results)

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