A0A3Q0KTM1_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KTM1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 343 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	63.6	Low	63.4	Low	216 Å²	216	141.2 Å²	141.2	100%	1.064	69%	0.688	S	S	*	*				0	116.3	0	-92.4	-73.6	102.7	0	0	107.8
2	D	70.8	Confident	63.3	Low	89 Å²	89	146 Å²	146	48%	0.476	69%	0.694	S	S	.	*			trans	-69.7	122.5	-177.4	-175.6	-14.2	0	0	0	110.3	F4 Q5	D2-F4 PolarHBondContact O-N 3.26Å; D2-F4 VanDerWaalsContact OD1-CD2 3.24Å; D2-F4 WeakPolarHBondContact OD1-CD2 3.45Å; D2-F4 PolarHBondContact OD1-N 3.37Å; D2-Q5 HydrophobicContact CB-CB 4.45Å; D2-Q5 WeakPolarHBondContact O-CB 3.19Å; D2-Q5 PolarHBondContact O-N 3.29Å
3	P	63.8	Low	63.1	Low	86 Å²	86	139.8 Å²	139.8	56%	0.558	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-20.5	179.4	25.6	-35	0	0	0	114.2
4	F	63.6	Low	63.1	Low	130 Å²	130	134.9 Å²	134.9	57%	0.57	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-25.8	178.2	-63.6	-72.6	0	0	0	112.8	D2 K6 R7	D2-F4 PolarHBondContact O-N 3.26Å; D2-F4 VanDerWaalsContact OD1-CD2 3.24Å; D2-F4 WeakPolarHBondContact OD1-CD2 3.45Å; D2-F4 PolarHBondContact OD1-N 3.37Å; F4-K6 PolarHBondContact O-N 3.17Å; F4-K6 VanDerWaalsContact O-N 3.12Å; F4-R7 PolarHBondContact O-N 3.39Å
5	Q	63.1	Low	63	Low	136 Å²	136	135.1 Å²	135.1	64%	0.636	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-23	179.7	-138.2	164.5	12.8	0	0	112.7	D2	D2-Q5 HydrophobicContact CB-CB 4.45Å; D2-Q5 WeakPolarHBondContact O-CB 3.19Å; D2-Q5 PolarHBondContact O-N 3.29Å
6	K	62.4	Low	62.6	Low	182 Å²	182	131.9 Å²	131.9	79%	0.791	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-20.4	172.6	-88.1	-177.2	177.2	177.8	0	114.3	F4	F4-K6 PolarHBondContact O-N 3.17Å; F4-K6 VanDerWaalsContact O-N 3.12Å
7	R	61.6	Low	62	Low	168 Å²	168	131.1 Å²	131.1	63%	0.634	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-81.6	-20.9	-173	-68.9	-175.4	179.7	178.2	1.1	113.7	F4 K9	F4-R7 PolarHBondContact O-N 3.39Å; R7-K9 PolarHBondContact O-N 3.47Å; R7-K9 VanDerWaalsContact O-N 3.15Å
8	D	61.3	Low	61.8	Low	118 Å²	118	127.5 Å²	127.5	63%	0.631	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-74.7	1.5	178.6	-100.8	-21.8	0	0	0	114.4	I10 R12	D8-I10 VanDerWaalsContact C-N 3.29Å; D8-I10 PolarHBondContact O-N 3.42Å; D8-R12 IonicContact OD1-NH1 3.97Å; D8-R12 IonicContact OD1-NH2 3.7Å
9	K	60.3	Low	61.5	Low	181 Å²	181	128.1 Å²	128.1	79%	0.787	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-87.7	16.6	173	-63.6	-165.4	-178.5	-169.1	0	114	R7 P11	R7-K9 PolarHBondContact O-N 3.47Å; R7-K9 VanDerWaalsContact O-N 3.15Å; K9-P11 WeakPolarHBondContact O-CD 3.43Å; K9-P11 VanDerWaalsContact O-N 3.14Å
10	I	65.7	Low	61.3	Low	131 Å²	131	126.3 Å²	126.3	67%	0.672	66%	0.657	S	S	*	*	S	Bend	trans	-65.4	116.1	163.9	-59	171.4	0	0	0	105.4	D8 R12	D8-I10 VanDerWaalsContact C-N 3.29Å; D8-I10 PolarHBondContact O-N 3.42Å; I10-R12 PolarHBondContact O-N 3.11Å
11	P	61	Low	60.9	Low	116 Å²	116	125.9 Å²	125.9	75%	0.753	66%	0.655	S	S	*	*			trans	-58.7	103.9	177	22.6	-30.4	0	0	0	107.6	K9 T13	K9-P11 WeakPolarHBondContact O-CD 3.43Å; K9-P11 VanDerWaalsContact O-N 3.14Å; P11-T13 PolarHBondContact O-N 3.16Å; P11-T13 VanDerWaalsContact O-N 3.15Å
12	R	62.7	Low	60.1	Low	199 Å²	199	124.9 Å²	124.9	75%	0.751	64%	0.64	S	S	*	*			trans	-67.3	113.7	171.8	-73.3	-173.8	172	112.5	4.2	105.6	D8 I10	D8-R12 IonicContact OD1-NH1 3.97Å; D8-R12 IonicContact OD1-NH2 3.7Å; I10-R12 PolarHBondContact O-N 3.11Å
13	T	60.6	Low	59	Low	66 Å²	66	125.1 Å²	125.1	41%	0.405	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-51.4	128.9	170.1	-45.1	0	0	0	0	107.7	P11 Q17 F19	P11-T13 PolarHBondContact O-N 3.16Å; P11-T13 VanDerWaalsContact O-N 3.15Å; T13-Q17 HydrophobicContact CG2-CB 4.2Å; T13-Q17 VanDerWaalsContact CG2-O 3.23Å; T13-Q17 WeakPolarHBondContact CG2-O 3.44Å; T13-F19 HydrophobicContact CG2-CE2 4.1Å; T13-F19 HydrophobicContact CG2-CZ 4.34Å
14	P	63.1	Low	58.1	Low	71 Å²	71	129.9 Å²	129.9	46%	0.461	66%	0.657	S	S	.	*	P	Polyproline II helix	trans	-52.5	140	-179.4	-25.3	32.8	0	0	0	110.4	G16 Q17	P14-G16 PolarHBondContact O-N 3.13Å; P14-Q17 HydrophobicContact CB-CB 4.48Å; P14-Q17 PolarHBondContact O-N 3.16Å; P14-Q17 VanDerWaalsContact O-N 3.08Å
15	P	61.2	Low	57.2	Low	137 Å²	137	129.4 Å²	129.4	89%	0.89	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.1	127.5	171.7	-23.2	32.3	0	0	0	110
16	G	56.8	Low	56.3	Low	85 Å²	85	132.2 Å²	132.2	88%	0.876	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	94.5	-12.6	179.2	0	0	0	0	0	115.6	P14 S18	P14-G16 PolarHBondContact O-N 3.13Å; G16-S18 PolarHBondContact O-N 3.12Å; G16-S18 VanDerWaalsContact O-N 3.16Å
17	Q	52.6	Low	55.4	Low	118 Å²	118	129.2 Å²	129.2	55%	0.551	66%	0.662	S	S	*	*			trans	-90.1	80.1	174.4	-153.6	163.5	28	0	0	109.8	T13 P14	T13-Q17 HydrophobicContact CG2-CB 4.2Å; T13-Q17 VanDerWaalsContact CG2-O 3.23Å; T13-Q17 WeakPolarHBondContact CG2-O 3.44Å; P14-Q17 HydrophobicContact CB-CB 4.48Å; P14-Q17 PolarHBondContact O-N 3.16Å; P14-Q17 VanDerWaalsContact O-N 3.08Å
18	S	57.9	Low	54.3	Low	66 Å²	66	124.7 Å²	124.7	46%	0.462	67%	0.667	S	S	.	*			trans	-68.4	139.9	170.4	75.1	0	0	0	0	109	G16 V20	G16-S18 PolarHBondContact O-N 3.12Å; G16-S18 VanDerWaalsContact O-N 3.16Å; S18-V20 PolarHBondContact O-N 3.16Å; S18-V20 WeakPolarHBondContact OG-CB 3.39Å; S18-V20 WeakPolarHBondContact OG-CG2 3.15Å
19	F	56.5	Low	53.5	Low	139 Å²	139	124.3 Å²	124.3	61%	0.61	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-64.2	9.8	175	-73.4	-86.5	0	0	0	114	T13 D21 R22	T13-F19 HydrophobicContact CG2-CE2 4.1Å; T13-F19 HydrophobicContact CG2-CZ 4.34Å; F19-D21 PolarHBondContact O-N 3.13Å; F19-R22 PolarHBondContact O-N 3.04Å
20	V	57.1	Low	52.8	Low	92 Å²	92	122 Å²	122	56%	0.558	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-63	-25.5	179.4	-176.7	0	0	0	0	111.4	S18 R22 S23	S18-V20 PolarHBondContact O-N 3.16Å; S18-V20 WeakPolarHBondContact OG-CB 3.39Å; S18-V20 WeakPolarHBondContact OG-CG2 3.15Å; V20-R22 VanDerWaalsContact C-N 3.26Å; V20-R22 PolarHBondContact O-N 2.99Å; V20-S23 PolarHBondContact O-OG 3.19Å
21	D	53.3	Low	51.9	Low	117 Å²	117	121.8 Å²	121.8	63%	0.626	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-76.7	-4.8	-176	-63	-20.6	0	0	0	114.7	F19	F19-D21 PolarHBondContact O-N 3.13Å
22	R	47.3	Very low	51.1	Low	195 Å²	195	119.4 Å²	119.4	74%	0.736	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-93.9	-1.5	179.8	-64.5	-168.2	-159	-159.8	4.9	115.2	F19 V20	F19-R22 PolarHBondContact O-N 3.04Å; V20-R22 VanDerWaalsContact C-N 3.26Å; V20-R22 PolarHBondContact O-N 2.99Å
23	S	47.7	Very low	50.2	Low	95 Å²	95	115.7 Å²	115.7	66%	0.664	66%	0.659	S	S	*	*			trans	-93.1	0.5	175.7	51.8	0	0	0	0	114.2	V20 I25	V20-S23 PolarHBondContact O-OG 3.19Å; S23-I25 PolarHBondContact O-N 3.07Å
24	Y	45	Very low	49.5	Very low	186 Å²	186	117.4 Å²	117.4	73%	0.729	67%	0.673	S	S	*	*			trans	-78.7	55.4	162.4	-67.3	-80.9	0	0	0	109.9	F26	Y24-F26 PolarHBondContact O-N 3.24Å
25	I	44.8	Very low	48.8	Very low	120 Å²	120	115.3 Å²	115.3	62%	0.615	66%	0.66	S	S	*	*			trans	-70.1	98	156.6	-59	177.3	0	0	0	103.7	S23 D27	S23-I25 PolarHBondContact O-N 3.07Å; I25-D27 HydrophobicContact CG2-CB 3.75Å; I25-D27 VanDerWaalsContact CG2-CG 3.43Å; I25-D27 VanDerWaalsContact CG2-OD2 3.23Å; I25-D27 WeakPolarHBondContact CG2-OD2 3.23Å; I25-D27 PolarHBondContact O-N 2.9Å
26	F	42.4	Very low	48.5	Very low	195 Å²	195	114.1 Å²	114.1	86%	0.855	65%	0.645	S	S	*	*			trans	-72	49	170.6	-132.2	-87.1	0	0	0	108.9	Y24 G28	Y24-F26 PolarHBondContact O-N 3.24Å; F26-G28 PolarHBondContact O-N 3.06Å
27	D	44.7	Very low	48.3	Very low	119 Å²	119	117.2 Å²	117.2	64%	0.636	63%	0.631	S	S	*	*			trans	-78.3	107.4	169	-87.1	-20.1	0	0	0	105.9	I25 T29	I25-D27 HydrophobicContact CG2-CB 3.75Å; I25-D27 VanDerWaalsContact CG2-CG 3.43Å; I25-D27 VanDerWaalsContact CG2-OD2 3.23Å; I25-D27 WeakPolarHBondContact CG2-OD2 3.23Å; I25-D27 PolarHBondContact O-N 2.9Å; D27-T29 PolarHBondContact O-N 2.97Å
28	G	38.1	Very low	48.3	Very low	72 Å²	72	114.2 Å²	114.2	74%	0.742	62%	0.618	S	S	*	*	S	Bend	trans	-61.9	30.7	177.9	0	0	0	0	0	114.9	F26	F26-G28 PolarHBondContact O-N 3.06Å
29	T	44.9	Very low	48.4	Very low	111 Å²	111	121.1 Å²	121.1	68%	0.681	64%	0.643	S	S	*	*			trans	-99.6	77	164.5	61.1	0	0	0	0	107.5	D27 N31	D27-T29 PolarHBondContact O-N 2.97Å; T29-N31 PolarHBondContact O-N 2.92Å
30	T	46.3	Very low	48.7	Very low	131 Å²	131	118.3 Å²	118.3	80%	0.804	64%	0.641	S	S	*	*			trans	-61.7	17.2	177.1	48.8	0	0	0	0	114.8
31	N	45.3	Very low	48.5	Very low	127 Å²	127	116.2 Å²	116.2	68%	0.679	64%	0.638	S	S	*	*			trans	-122.5	39.6	-176.2	-57.2	-12.4	0	0	0	110.7	T29 E33	T29-N31 PolarHBondContact O-N 2.92Å; N31-E33 PolarHBondContact O-N 2.83Å
32	G	44.4	Very low	48.5	Very low	67 Å²	67	115.5 Å²	115.5	69%	0.691	63%	0.634	S	S	*	*			trans	-66.4	75.4	162.6	0	0	0	0	0	108.9	C34	G32-C34 PolarHBondContact O-N 2.91Å
33	E	44	Very low	48.4	Very low	120 Å²	120	111.7 Å²	111.7	56%	0.561	62%	0.62	S	S	*	*			trans	-68.3	74.4	-178.7	-70.1	-165.7	136.8	0	0	110.2	N31 S35 R43	N31-E33 PolarHBondContact O-N 2.83Å; E33-S35 PolarHBondContact O-N 3.27Å; E33-S35 PolarHBondContact O-OG 2.89Å; E33-S35 VanDerWaalsContact O-OG 3.1Å; E33-R43 VanDerWaalsContact CB-NH2 3.26Å; E33-R43 IonicContact OE1-CZ 3.08Å; E33-R43 IonicContact OE1-NH1 3.59Å; E33-R43 PolarHBondContact OE1-NH1 2.86Å; E33-R43 IonicContact OE1-NH2 3.25Å; E33-R43 PolarHBondContact OE1-NH2 2.99Å; E33-R43 IonicContact OE2-CZ 3.19Å; E33-R43 VanDerWaalsContact OE2-CZ 3.25Å; E33-R43 IonicContact OE2-NH1 2.79Å; E33-R43 PolarHBondContact OE2-NH1 2.94Å; E33-R43 VanDerWaalsContact OE2-NH1 3.08Å; E33-R43 IonicContact OE2-NH2 2.77Å; E33-R43 PolarHBondContact OE2-NH2 3.16Å; E33-R43 VanDerWaalsContact OE2-NH2 3.17Å
34	C	45.8	Very low	48.4	Very low	103 Å²	103	115 Å²	115	70%	0.696	62%	0.618	S	S	*	*			trans	-68	78.5	167.6	-67.4	0	0	0	0	108.7	G32 I36	G32-C34 PolarHBondContact O-N 2.91Å; C34-I36 PolarHBondContact O-N 3.12Å
35	S	48.7	Very low	48.4	Very low	27 Å²	27	111.3 Å²	111.3	19%	0.189	62%	0.615	C	S	.	*			trans	-80.3	109.1	-178.7	-52.6	0	0	0	0	108.3	E33 Y37 R43	E33-S35 PolarHBondContact O-N 3.27Å; E33-S35 PolarHBondContact O-OG 2.89Å; E33-S35 VanDerWaalsContact O-OG 3.1Å; S35-Y37 WeakPolarHBondContact O-CD2 3.16Å; S35-Y37 PolarHBondContact O-N 3.18Å; S35-R43 PolarHBondContact OG-NE 3.39Å; S35-R43 PolarHBondContact OG-NH2 3.21Å
36	I	55.6	Low	48.5	Very low	112 Å²	112	109 Å²	109	57%	0.574	61%	0.61	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81.3	110.7	168.9	-56.5	174.9	0	0	0	105.7	C34 R44	C34-I36 PolarHBondContact O-N 3.12Å; I36-R44 WeakPolarHBondContact O-CB 3.14Å; I36-R44 PolarHBondContact O-N 3.13Å
37	Y	52	Low	48.7	Very low	149 Å²	149	105.5 Å²	105.5	58%	0.584	60%	0.604	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.3	134.1	172.1	-64.9	-88.8	0	0	0	108.6	S35 G41 N42 R43	S35-Y37 WeakPolarHBondContact O-CD2 3.16Å; S35-Y37 PolarHBondContact O-N 3.18Å; Y37-G41 WeakPolarHBondContact CD1-O 3.41Å; Y37-N42 WeakPolarHBondContact CA-O 3.18Å; Y37-R43 HydrophobicContact CE1-CB 4.37Å; Y37-R43 HydrophobicContact CE1-CG 4.49Å
38	D	52	Low	48.6	Very low	55 Å²	55	109.5 Å²	109.5	29%	0.294	62%	0.616	S	S	.	*			trans	-76.3	173.2	165.7	60.8	25	0	0	0	111.1	S40 G41 N42	D38-S40 PolarHBondContact O-N 3.02Å; D38-S40 VanDerWaalsContact O-N 3.09Å; D38-S40 WeakPolarHBondContact OD1-CA 3.43Å; D38-S40 WeakPolarHBondContact OD1-CB 3.24Å; D38-S40 PolarHBondContact OD1-N 2.89Å; D38-S40 PolarHBondContact OD1-OG 3Å; D38-S40 PolarHBondContact OD2-OG 3.07Å; D38-G41 PolarHBondContact O-N 2.94Å; D38-G41 PolarHBondContact OD1-N 3.02Å; D38-G41 VanDerWaalsContact OD1-N 3.13Å; D38-N42 PolarHBondContact N-O 3.24Å; D38-N42 VanDerWaalsContact N-O 3.14Å; D38-N42 PolarHBondContact OD1-N 2.86Å
39	E	59.7	Low	48.9	Very low	211 Å²	211	111.7 Å²	111.7	99%	0.986	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-16.2	177.5	-62.2	-165.1	162.5	0	0	113	G41	E39-G41 VanDerWaalsContact C-N 3.25Å
40	S	63.4	Low	48.7	Very low	81 Å²	81	111.9 Å²	111.9	57%	0.566	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-4.5	173.1	80.2	0	0	0	0	113.3	D38 N42	D38-S40 PolarHBondContact O-N 3.02Å; D38-S40 VanDerWaalsContact O-N 3.09Å; D38-S40 WeakPolarHBondContact OD1-CA 3.43Å; D38-S40 WeakPolarHBondContact OD1-CB 3.24Å; D38-S40 PolarHBondContact OD1-N 2.89Å; D38-S40 PolarHBondContact OD1-OG 3Å; D38-S40 PolarHBondContact OD2-OG 3.07Å; S40-N42 VanDerWaalsContact C-N 3.25Å; S40-N42 PolarHBondContact O-N 3.11Å; S40-N42 PolarHBondContact OG-ND2 3.06Å
41	G	53	Low	48.5	Very low	47 Å²	47	110.5 Å²	110.5	49%	0.485	61%	0.614	S	S	.	*			trans	77	10.5	-176.9	0	0	0	0	0	113.4	Y37 D38 E39	Y37-G41 WeakPolarHBondContact CD1-O 3.41Å; D38-G41 PolarHBondContact O-N 2.94Å; D38-G41 PolarHBondContact OD1-N 3.02Å; D38-G41 VanDerWaalsContact OD1-N 3.13Å; E39-G41 VanDerWaalsContact C-N 3.25Å
42	N	53.5	Low	48.6	Very low	103 Å²	103	112.3 Å²	112.3	55%	0.551	61%	0.611	S	S	*	*			trans	-83.9	139.4	177	-77.7	-47	0	0	0	111.1	Y37 D38 S40 R44	Y37-N42 WeakPolarHBondContact CA-O 3.18Å; D38-N42 PolarHBondContact N-O 3.24Å; D38-N42 VanDerWaalsContact N-O 3.14Å; D38-N42 PolarHBondContact OD1-N 2.86Å; S40-N42 VanDerWaalsContact C-N 3.25Å; S40-N42 PolarHBondContact O-N 3.11Å; S40-N42 PolarHBondContact OG-ND2 3.06Å; N42-R44 PolarHBondContact O-N 3.03Å
43	R	44.8	Very low	48.3	Very low	114 Å²	114	118.8 Å²	118.8	43%	0.43	62%	0.62	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.8	108.3	-179.9	-160.3	-173.3	172.7	-155.8	-25.8	109.3	E33 S35 Y37	E33-R43 VanDerWaalsContact CB-NH2 3.26Å; E33-R43 IonicContact OE1-CZ 3.08Å; E33-R43 IonicContact OE1-NH1 3.59Å; E33-R43 PolarHBondContact OE1-NH1 2.86Å; E33-R43 IonicContact OE1-NH2 3.25Å; E33-R43 PolarHBondContact OE1-NH2 2.99Å; E33-R43 IonicContact OE2-CZ 3.19Å; E33-R43 VanDerWaalsContact OE2-CZ 3.25Å; E33-R43 IonicContact OE2-NH1 2.79Å; E33-R43 PolarHBondContact OE2-NH1 2.94Å; E33-R43 VanDerWaalsContact OE2-NH1 3.08Å; E33-R43 IonicContact OE2-NH2 2.77Å; E33-R43 PolarHBondContact OE2-NH2 3.16Å; E33-R43 VanDerWaalsContact OE2-NH2 3.17Å; S35-R43 PolarHBondContact OG-NE 3.39Å; S35-R43 PolarHBondContact OG-NH2 3.21Å; Y37-R43 HydrophobicContact CE1-CB 4.37Å; Y37-R43 HydrophobicContact CE1-CG 4.49Å
44	R	48.3	Very low	48.2	Very low	164 Å²	164	121.6 Å²	121.6	62%	0.619	63%	0.627	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83.5	119.2	167.7	-56.5	-172.2	95.4	164.4	4.9	108.1	I36 N42 S46	I36-R44 WeakPolarHBondContact O-CB 3.14Å; I36-R44 PolarHBondContact O-N 3.13Å; N42-R44 PolarHBondContact O-N 3.03Å; R44-S46 PolarHBondContact O-N 3.06Å; R44-S46 VanDerWaalsContact O-N 3.14Å
45	T	44.9	Very low	47.7	Very low	109 Å²	109	122.4 Å²	122.4	67%	0.669	63%	0.629	S	S	*	*			trans	-63.6	112.5	163.3	44.4	0	0	0	0	106.1	V47	T45-V47 PolarHBondContact O-N 3.19Å
46	S	47.2	Very low	47.1	Very low	73 Å²	73	127.9 Å²	127.9	51%	0.51	66%	0.655	S	S	.	*			trans	-66.3	91.4	173.8	67.4	0	0	0	0	107	R44 F48	R44-S46 PolarHBondContact O-N 3.06Å; R44-S46 VanDerWaalsContact O-N 3.14Å; S46-F48 PolarHBondContact O-N 2.99Å
47	V	46.7	Very low	46.1	Very low	121 Å²	121	126 Å²	126	73%	0.733	65%	0.649	S	S	*	*			trans	-53.1	127.9	162.8	-179.6	0	0	0	0	104.9	T45 D49	T45-V47 PolarHBondContact O-N 3.19Å; V47-D49 PolarHBondContact O-N 3.34Å
48	F	41.9	Very low	45.3	Very low	203 Å²	203	127.1 Å²	127.1	89%	0.89	66%	0.657	S	S	*	*			trans	-50.7	82.9	-177.3	-72.9	-93.9	0	0	0	111.2	S46 T50	S46-F48 PolarHBondContact O-N 2.99Å; F48-T50 VanDerWaalsContact C-N 3.32Å; F48-T50 PolarHBondContact O-N 2.95Å
49	D	43.8	Very low	44.6	Very low	117 Å²	117	128.1 Å²	128.1	63%	0.626	66%	0.662	S	S	*	*			trans	-81.7	95.1	175.7	-133.6	-11.8	0	0	0	104.8	V47 A51	V47-D49 PolarHBondContact O-N 3.34Å; D49-A51 PolarHBondContact O-N 3.08Å; D49-A51 VanDerWaalsContact O-N 3.11Å
50	T	41	Very low	44	Very low	115 Å²	115	126 Å²	126	71%	0.706	66%	0.658	S	S	*	*			trans	-17.3	111.1	174.8	-26.4	0	0	0	0	110.3	F48 R52	F48-T50 VanDerWaalsContact C-N 3.32Å; F48-T50 PolarHBondContact O-N 2.95Å; T50-R52 VanDerWaalsContact C-N 3.29Å; T50-R52 WeakPolarHBondContact O-CG 3.43Å; T50-R52 PolarHBondContact O-N 3.3Å
51	A	42.9	Very low	43.2	Very low	103 Å²	103	131.8 Å²	131.8	85%	0.851	67%	0.669	S	S	*	*			trans	-42.1	87.5	-169.3	0	0	0	0	0	112.9	D49 K53	D49-A51 PolarHBondContact O-N 3.08Å; D49-A51 VanDerWaalsContact O-N 3.11Å; A51-K53 PolarHBondContact O-N 2.86Å
52	R	46.6	Very low	42.4	Very low	164 Å²	164	133 Å²	133	62%	0.619	68%	0.681	S	S	*	*			trans	-77.1	122.3	-177.9	-66.8	-166.3	179.6	-172.4	-1.2	105.9	T50 Y54	T50-R52 VanDerWaalsContact C-N 3.29Å; T50-R52 WeakPolarHBondContact O-CG 3.43Å; T50-R52 PolarHBondContact O-N 3.3Å; R52-Y54 HydrophobicContact CB-CE2 4.16Å; R52-Y54 WeakPolarHBondContact O-CD2 3.23Å; R52-Y54 WeakPolarHBondContact O-CE2 3.17Å; R52-Y54 PolarHBondContact O-N 3.16Å
53	K	37.9	Very low	41.5	Very low	203 Å²	203	134 Å²	134	88%	0.883	69%	0.687	S	S	*	*			trans	-69.7	97.1	173.1	-73.1	-178.7	177.5	178.1	0	108.2	A51 T55	A51-K53 PolarHBondContact O-N 2.86Å; K53-T55 PolarHBondContact O-N 3.2Å
54	Y	43.4	Very low	41.1	Very low	180 Å²	180	134.1 Å²	134.1	71%	0.706	70%	0.7	S	S	*	*			trans	-73.8	120.2	168.8	-60.2	-78	0	0	0	108.6	R52	R52-Y54 HydrophobicContact CB-CE2 4.16Å; R52-Y54 WeakPolarHBondContact O-CD2 3.23Å; R52-Y54 WeakPolarHBondContact O-CE2 3.17Å; R52-Y54 PolarHBondContact O-N 3.16Å
55	T	35.1	Very low	40.5	Very low	120 Å²	120	129 Å²	129	74%	0.736	69%	0.689	S	S	*	*			trans	-100.6	113.7	168.4	-53.6	0	0	0	0	107.3	K53 T57	K53-T55 PolarHBondContact O-N 3.2Å; T55-T57 HydrophobicContact CG2-CG2 4.33Å; T55-T57 PolarHBondContact O-N 3.02Å
56	L	34.9	Very low	40	Very low	142 Å²	142	130.9 Å²	130.9	74%	0.743	69%	0.694	S	S	*	*			trans	-74.9	106.9	170.7	-82.5	147.1	0	0	0	108.1
57	T	36	Very low	39.3	Very low	72 Å²	72	137 Å²	137	44%	0.442	71%	0.707	S	S	.	*			trans	-95.8	127.1	168.6	49.1	0	0	0	0	109.2	T55	T55-T57 HydrophobicContact CG2-CG2 4.33Å; T55-T57 PolarHBondContact O-N 3.02Å
58	F	33.9	Very low	38.9	Very low	173 Å²	173	136.2 Å²	136.2	76%	0.759	70%	0.702	S	S	*	*			trans	-88.6	107.7	171.6	-61.1	-86.4	0	0	0	107.8
59	D	38.3	Very low	38.4	Very low	75 Å²	75	132.5 Å²	132.5	40%	0.401	70%	0.701	S	S	.	*			trans	-71.1	136.4	162.4	-75.5	-21.7	0	0	0	107.9	Y61 G62 S65	D59-Y61 PolarHBondContact O-N 2.63Å; D59-G62 PolarHBondContact O-N 3.1Å; D59-S65 WeakPolarHBondContact OD2-CB 3.35Å
60	N	46.4	Very low	38	Very low	167 Å²	167	131.1 Å²	131.1	89%	0.893	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-8.2	-177.2	-75.7	-29.8	0	0	0	113.8
61	Y	46.5	Very low	37.4	Very low	202 Å²	202	132.7 Å²	132.7	79%	0.792	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	26.9	177.9	-64.8	-76.7	0	0	0	113.6	D59 N63	D59-Y61 PolarHBondContact O-N 2.63Å; Y61-N63 PolarHBondContact O-N 3.43Å
62	G	35.4	Very low	36.9	Very low	72 Å²	72	135.3 Å²	135.3	74%	0.742	70%	0.702	S	S	*	*	S	Bend	trans	60.8	-6.2	167.4	0	0	0	0	0	116.7	D59	D59-G62 PolarHBondContact O-N 3.1Å
63	N	35.6	Very low	36	Very low	125 Å²	125	132.6 Å²	132.6	67%	0.668	70%	0.703	S	S	*	*			trans	-93	114.4	177.1	-69.7	-21.6	0	0	0	105.8	Y61 S65	Y61-N63 PolarHBondContact O-N 3.43Å; N63-S65 PolarHBondContact O-N 3.27Å
64	T	36.6	Very low	35.5	Very low	116 Å²	116	128.2 Å²	128.2	71%	0.712	69%	0.694	S	S	*	*			trans	-66.1	84.2	171	50.5	0	0	0	0	108	L66	T64-L66 PolarHBondContact O-N 3.25Å; T64-L66 VanDerWaalsContact O-N 3.14Å
65	S	34.4	Very low	34.9	Very low	56 Å²	56	126.1 Å²	126.1	39%	0.392	69%	0.694	S	S	.	*			trans	-72.3	102.9	167.9	-173.6	0	0	0	0	106.6	D59 N63 R67	D59-S65 WeakPolarHBondContact OD2-CB 3.35Å; N63-S65 PolarHBondContact O-N 3.27Å; S65-R67 PolarHBondContact O-N 3.25Å
66	L	36.2	Very low	34.6	Very low	149 Å²	149	127.3 Å²	127.3	78%	0.78	70%	0.696	S	S	*	*			trans	-65.8	81.6	166.4	-102.1	152.4	0	0	0	106.9	T64 T68	T64-L66 PolarHBondContact O-N 3.25Å; T64-L66 VanDerWaalsContact O-N 3.14Å; L66-T68 PolarHBondContact O-N 3.34Å
67	R	32.5	Very low	34.6	Very low	203 Å²	203	126.6 Å²	126.6	77%	0.766	69%	0.691	S	S	*	*			trans	-76.2	83.9	178.1	-138.8	177.5	-176.7	-127.6	0.3	107.4	S65 S69	S65-R67 PolarHBondContact O-N 3.25Å; R67-S69 PolarHBondContact O-N 3.08Å
68	T	37.3	Very low	34.2	Very low	103 Å²	103	127.9 Å²	127.9	63%	0.632	70%	0.704	S	S	*	*			trans	-59.9	107	168.7	50.4	0	0	0	0	107	L66 C70	L66-T68 PolarHBondContact O-N 3.34Å; T68-C70 PolarHBondContact O-N 2.83Å; T68-C70 VanDerWaalsContact O-N 3.1Å
69	S	32.5	Very low	34.2	Very low	125 Å²	125	126.1 Å²	126.1	87%	0.874	70%	0.701	S	S	*	*			trans	-77.8	20.2	176.6	41.2	0	0	0	0	112.6	R67	R67-S69 PolarHBondContact O-N 3.08Å
70	C	33.9	Very low	33.5	Very low	88 Å²	88	127.4 Å²	127.4	60%	0.595	72%	0.716	S	S	*	*	S	Bend	trans	-127.4	136.5	173.9	-54.7	0	0	0	0	107.4	T68	T68-C70 PolarHBondContact O-N 2.83Å; T68-C70 VanDerWaalsContact O-N 3.1Å
71	D	29.5	Very low	32.8	Very low	148 Å²	148	126.7 Å²	126.7	79%	0.791	71%	0.711	S	S	*	*			trans	5.5	123.1	168	-53.9	-36.9	0	0	0	115.7	V73	D71-V73 PolarHBondContact O-N 2.79Å
72	I	31.9	Very low	32.1	Very low	158 Å²	158	125.9 Å²	125.9	81%	0.81	71%	0.712	S	S	*	*			trans	-52.7	81.2	179.5	-54.1	164.7	0	0	0	109.8	T74	I72-T74 VanDerWaalsContact C-N 3.27Å; I72-T74 PolarHBondContact O-N 3.15Å
73	V	28.3	Very low	32.1	Very low	107 Å²	107	128 Å²	128	65%	0.648	71%	0.712	S	S	*	*			trans	-91.2	84.7	154.7	-171.4	0	0	0	0	102.6	D71 L75	D71-V73 PolarHBondContact O-N 2.79Å; V73-L75 HydrophobicContact CG1-CD2 4.09Å; V73-L75 HydrophobicContact CG1-CG 4.39Å; V73-L75 PolarHBondContact O-N 3.34Å
74	T	26.3	Very low	31.9	Very low	112 Å²	112	128.5 Å²	128.5	69%	0.687	72%	0.715	S	S	*	*			trans	-55.5	96.6	163.2	-9.3	0	0	0	0	105.4	I72 D76	I72-T74 VanDerWaalsContact C-N 3.27Å; I72-T74 PolarHBondContact O-N 3.15Å; T74-D76 VanDerWaalsContact C-N 3.25Å; T74-D76 PolarHBondContact O-N 3.46Å
75	L	30.6	Very low	31.6	Very low	135 Å²	135	134.6 Å²	134.6	71%	0.707	73%	0.725	S	S	*	*			trans	-71.3	95.4	169.5	-71.1	170.6	0	0	0	104.8	V73 I77	V73-L75 HydrophobicContact CG1-CD2 4.09Å; V73-L75 HydrophobicContact CG1-CG 4.39Å; V73-L75 PolarHBondContact O-N 3.34Å; L75-I77 HydrophobicContact CB-CG1 4.08Å; L75-I77 PolarHBondContact O-N 2.97Å
76	D	29.5	Very low	31.6	Very low	146 Å²	146	138.2 Å²	138.2	78%	0.781	74%	0.739	S	S	*	*			trans	-61.3	82	161.1	-101.8	-13	0	0	0	106.8	T74 S78	T74-D76 VanDerWaalsContact C-N 3.25Å; T74-D76 PolarHBondContact O-N 3.46Å; D76-S78 PolarHBondContact O-N 3.43Å
77	I	34.7	Very low	31.1	Very low	126 Å²	126	136 Å²	136	65%	0.646	74%	0.736	S	S	*	*			trans	-77.7	80.5	165.2	-51.6	178.2	0	0	0	104.6	L75 L79	L75-I77 HydrophobicContact CB-CG1 4.08Å; L75-I77 PolarHBondContact O-N 2.97Å; I77-L79 HydrophobicContact CG2-CD2 3.54Å; I77-L79 HydrophobicContact CG2-CG 3.79Å; I77-L79 PolarHBondContact O-N 2.79Å
78	S	27.8	Very low	31.1	Very low	100 Å²	100	137 Å²	137	70%	0.699	74%	0.74	S	S	*	*			trans	-66.3	86.3	166.1	-28.5	0	0	0	0	106.5	D76 S80	D76-S78 PolarHBondContact O-N 3.43Å; S78-S80 PolarHBondContact O-N 3.27Å
79	L	33.1	Very low	30.7	Very low	136 Å²	136	139.9 Å²	139.9	71%	0.712	75%	0.751	S	S	*	*			trans	-67.5	87.2	168.5	-64.8	176.6	0	0	0	106.5	I77 L81	I77-L79 HydrophobicContact CG2-CD2 3.54Å; I77-L79 HydrophobicContact CG2-CG 3.79Å; I77-L79 PolarHBondContact O-N 2.79Å; L79-L81 PolarHBondContact O-N 2.89Å
80	S	25.2	Very low	30.6	Very low	101 Å²	101	137 Å²	137	71%	0.706	74%	0.741	S	S	*	*			trans	-67.7	82.5	165.3	74.1	0	0	0	0	106.6	S78 K82	S78-S80 PolarHBondContact O-N 3.27Å; S80-K82 PolarHBondContact O-N 2.93Å
81	L	31.2	Very low	30.3	Very low	152 Å²	152	140.5 Å²	140.5	80%	0.796	75%	0.754	S	S	*	*			trans	-62.6	93.5	163.7	-74.4	161.4	0	0	0	105.1	L79 P83	L79-L81 PolarHBondContact O-N 2.89Å; L81-P83 WeakPolarHBondContact O-CD 3.46Å
82	K	31.5	Very low	30.5	Very low	185 Å²	185	141.8 Å²	141.8	80%	0.804	76%	0.76	S	S	*	*			trans	-55.3	114.9	166.7	-77.9	-170.7	175.6	179.6	0	105.2	S80 N84	S80-K82 PolarHBondContact O-N 2.93Å; K82-N84 PolarHBondContact O-N 2.79Å
83	P	34.7	Very low	30.4	Very low	116 Å²	116	143.3 Å²	143.3	75%	0.753	76%	0.764	S	S	*	*			trans	-57.7	115.6	176.5	-20.1	32.2	0	0	0	106.4	L81 R85	L81-P83 WeakPolarHBondContact O-CD 3.46Å; P83-R85 PolarHBondContact O-N 2.96Å
84	N	32.4	Very low	30.5	Very low	137 Å²	137	145 Å²	145	73%	0.733	78%	0.775	S	S	*	*			trans	-54.3	119.6	172.5	-170.4	-13.1	0	0	0	106	K82 I86	K82-N84 PolarHBondContact O-N 2.79Å; N84-I86 PolarHBondContact O-N 3.14Å
85	R	30.3	Very low	30.6	Very low	243 Å²	243	145.2 Å²	145.2	92%	0.917	78%	0.781	S	S	*	*			trans	-66.8	73	-176.2	-71.2	-178.9	177.5	178.2	-1.9	109.4	P83 S87	P83-R85 PolarHBondContact O-N 2.96Å; R85-S87 PolarHBondContact O-N 2.84Å
86	I	33.1	Very low	30.5	Very low	133 Å²	133	144.1 Å²	144.1	68%	0.682	78%	0.784	S	S	*	*			trans	-94.3	89.4	158.7	-51.6	176.2	0	0	0	104.3	N84 R88	N84-I86 PolarHBondContact O-N 3.14Å; I86-R88 PolarHBondContact O-N 3.18Å
87	S	27	Very low	30.5	Very low	101 Å²	101	144.8 Å²	144.8	71%	0.706	78%	0.782	S	S	*	*			trans	-41.8	107	170.3	177.4	0	0	0	0	110.7	R85	R85-S87 PolarHBondContact O-N 2.84Å
88	R	32.8	Very low	30.2	Very low	226 Å²	226	147.3 Å²	147.3	85%	0.853	79%	0.793	S	S	*	*			trans	-135.1	107.2	153.6	-75.2	-168.6	178.2	-176.5	-0.7	106.4	I86 G90	I86-R88 PolarHBondContact O-N 3.18Å; R88-G90 PolarHBondContact O-N 3.21Å
89	N	29	Very low	30.4	Very low	163 Å²	163	148.2 Å²	148.2	87%	0.872	79%	0.794	S	S	*	*			trans	-43.2	124.6	170.3	-61.5	-31.2	0	0	0	110
90	G	29.5	Very low	30.3	Very low	65 Å²	65	146.4 Å²	146.4	67%	0.67	79%	0.793	S	S	*	*			trans	168	98.1	-179.9	0	0	0	0	0	111.6	R88 L92	R88-G90 PolarHBondContact O-N 3.21Å; G90-L92 PolarHBondContact O-N 3.13Å
91	D	27.8	Very low	30.5	Very low	160 Å²	160	147.2 Å²	147.2	86%	0.856	80%	0.798	S	S	*	*			trans	-46.3	118.1	-179.3	-56.8	-59.9	0	0	0	115
92	L	34.5	Very low	30.5	Very low	176 Å²	176	147.6 Å²	147.6	92%	0.921	79%	0.794	S	S	*	*			trans	-139.5	119.9	156.5	-77.5	175.7	0	0	0	110	G90	G90-L92 PolarHBondContact O-N 3.13Å
93	Q	29.7	Very low	30.3	Very low	190 Å²	190	148 Å²	148	89%	0.888	80%	0.799	S	S	*	*			trans	-65.2	143.7	-168.6	-60.1	-179.4	8.6	0	0	113
94	T	29.5	Very low	30.2	Very low	143 Å²	143	151.3 Å²	151.3	88%	0.877	80%	0.797	S	S	*	*			trans	-62.9	123.7	172.2	47.8	0	0	0	0	111.5
95	S	29.6	Very low	29.7	Very low	116 Å²	116	148.1 Å²	148.1	81%	0.811	80%	0.796	S	S	*	*			trans	-112.5	103.8	162.6	-179.1	0	0	0	0	108.8	H97	S95-H97 PolarHBondContact O-N 3.43Å
96	S	28.5	Very low	29.7	Very low	111 Å²	111	143.9 Å²	143.9	78%	0.776	79%	0.791	S	S	*	*			trans	-81.8	103	173.2	49.4	0	0	0	0	109.7
97	H	29.7	Very low	29.4	Very low	160 Å²	160	147.4 Å²	147.4	74%	0.741	80%	0.802	S	S	*	*			trans	-100.2	97.4	170.3	-165.4	-92.5	0	0	0	109.9	S95 V99	S95-H97 PolarHBondContact O-N 3.43Å; H97-V99 WeakPolarHBondContact ND1-CG2 3.39Å; H97-V99 PolarHBondContact O-N 3.21Å
98	M	26.8	Very low	29.5	Very low	180 Å²	180	149.7 Å²	149.7	89%	0.887	81%	0.812	S	S	*	*			trans	-68.6	112.8	171.2	-63.4	-170.4	71.9	0	0	109.5
99	V	32.3	Very low	29.2	Very low	119 Å²	119	144.5 Å²	144.5	72%	0.721	81%	0.81	S	S	*	*			trans	-104.1	106.8	168.6	-175.2	0	0	0	0	108.9	H97	H97-V99 WeakPolarHBondContact ND1-CG2 3.39Å; H97-V99 PolarHBondContact O-N 3.21Å
100	S	31.3	Very low	29	Very low	98 Å²	98	141.5 Å²	141.5	69%	0.685	80%	0.802	S	S	*	*			trans	-55.7	126.8	176.1	170.1	0	0	0	0	112.4	K102	S100-K102 PolarHBondContact O-N 3.26Å
101	S	29.1	Very low	29.2	Very low	117 Å²	117	144.4 Å²	144.4	82%	0.818	81%	0.809	S	S	*	*			trans	-72.9	102.7	171.2	64.3	0	0	0	0	110.6
102	K	32.6	Very low	29.4	Very low	160 Å²	160	143.7 Å²	143.7	70%	0.696	81%	0.81	S	S	*	*			trans	-88.6	114.2	164	-77.4	-176.6	176.1	-179.5	0	109.1	S100 Y104	S100-K102 PolarHBondContact O-N 3.26Å; K102-Y104 HydrophobicContact CB-CE2 4.07Å; K102-Y104 WeakPolarHBondContact O-CD2 3.36Å; K102-Y104 PolarHBondContact O-N 3.26Å
103	Q	27.4	Very low	29.2	Very low	195 Å²	195	142.4 Å²	142.4	91%	0.911	80%	0.804	S	S	*	*			trans	-55.1	116.3	168	-81	170.4	-48.5	0	0	109.9
104	Y	31.1	Very low	29.2	Very low	185 Å²	185	140.2 Å²	140.2	73%	0.725	80%	0.804	S	S	*	*			trans	-109.4	103.9	159.1	-66.9	-79.9	0	0	0	107.3	K102	K102-Y104 HydrophobicContact CB-CE2 4.07Å; K102-Y104 WeakPolarHBondContact O-CD2 3.36Å; K102-Y104 PolarHBondContact O-N 3.26Å
105	G	21.9	Very low	29.3	Very low	69 Å²	69	138.6 Å²	138.6	71%	0.711	80%	0.798	S	S	*	*			trans	-73.3	123.2	163.9	0	0	0	0	0	108.6
106	L	30.1	Very low	29.3	Very low	154 Å²	154	138.8 Å²	138.8	81%	0.806	79%	0.794	S	S	*	*			trans	-123.1	118.1	174.7	-68.2	176	0	0	0	109
107	F	27.2	Very low	29.7	Very low	207 Å²	207	139.4 Å²	139.4	91%	0.908	80%	0.796	S	S	*	*			trans	-61.3	133.3	-176.8	-64.8	-91.6	0	0	0	111.5	S109	F107-S109 PolarHBondContact O-N 3.01Å
108	T	28.4	Very low	29.7	Very low	149 Å²	149	142.8 Å²	142.8	91%	0.914	80%	0.802	S	S	*	*			trans	-74	104.6	175.2	48.1	0	0	0	0	109.6
109	S	27.6	Very low	30.1	Very low	117 Å²	117	142 Å²	142	82%	0.818	80%	0.801	S	S	*	*			trans	-86.2	140.3	169.8	59.9	0	0	0	0	110.7	F107	F107-S109 PolarHBondContact O-N 3.01Å
110	S	25.1	Very low	30.4	Very low	101 Å²	101	142.9 Å²	142.9	71%	0.706	80%	0.8	S	S	*	*			trans	-58.9	144.5	-171.8	-171.3	0	0	0	0	113.5	V112	S110-V112 PolarHBondContact O-N 2.64Å; S110-V112 VanDerWaalsContact O-N 3.11Å
111	P	34.4	Very low	30.5	Very low	126 Å²	126	147.2 Å²	147.2	82%	0.818	81%	0.807	S	S	*	*			trans	-62.1	111.7	-178.7	24	-33.7	0	0	0	111.9
112	V	30	Very low	30.7	Very low	144 Å²	144	151.4 Å²	151.4	87%	0.873	81%	0.806	S	S	*	*			trans	-75.6	131.5	173.3	165.7	0	0	0	0	110.2	S110	S110-V112 PolarHBondContact O-N 2.64Å; S110-V112 VanDerWaalsContact O-N 3.11Å
113	N	31.8	Very low	31	Very low	149 Å²	149	149.1 Å²	149.1	80%	0.797	81%	0.807	S	S	*	*			trans	-42.6	143.1	-176.3	-83.3	-41.7	0	0	0	116.4	S115	N113-S115 PolarHBondContact O-N 2.62Å
114	V	29.3	Very low	31.5	Very low	144 Å²	144	148.9 Å²	148.9	87%	0.873	81%	0.806	S	S	*	*			trans	-53.7	90.9	172.3	-176.3	0	0	0	0	111.4
115	S	30.4	Very low	32	Very low	109 Å²	109	149.3 Å²	149.3	76%	0.762	81%	0.812	S	S	*	*			trans	-83.7	116	166	57.2	0	0	0	0	109.7	N113	N113-S115 PolarHBondContact O-N 2.62Å
116	T	31.3	Very low	33	Very low	120 Å²	120	154.9 Å²	154.9	74%	0.736	82%	0.819	S	S	*	*			trans	-53.2	133.7	175.3	-28.8	0	0	0	0	110.5	R118	T116-R118 PolarHBondContact O-N 3.11Å
117	P	35.3	Very low	33.2	Very low	125 Å²	125	152.7 Å²	152.7	81%	0.812	82%	0.816	S	S	*	*			trans	-66.4	111.8	-176.3	24.9	-32.6	0	0	0	110.3	L119	P117-L119 PolarHBondContact O-N 3.25Å
118	R	31.3	Very low	33.6	Very low	231 Å²	231	149.1 Å²	149.1	87%	0.872	81%	0.806	S	S	*	*			trans	-66.6	126.1	166.8	-74.4	-177.9	175.9	168.7	0.1	108.2	T116 I120	T116-R118 PolarHBondContact O-N 3.11Å; R118-I120 WeakPolarHBondContact O-CG1 3.36Å; R118-I120 PolarHBondContact O-N 3.15Å
119	L	34.4	Very low	34.1	Very low	164 Å²	164	150.9 Å²	150.9	86%	0.859	80%	0.801	S	S	*	*			trans	-63	96.7	176.3	-165.2	82.5	0	0	0	109.3	P117 K121	P117-L119 PolarHBondContact O-N 3.25Å; L119-K121 PolarHBondContact O-N 2.92Å; L119-K121 VanDerWaalsContact O-N 3.16Å
120	I	38.8	Very low	34.4	Very low	137 Å²	137	152.9 Å²	152.9	70%	0.703	80%	0.798	S	S	*	*			trans	-77.9	101.6	175.4	-44.6	178.7	0	0	0	107	R118 Y122	R118-I120 WeakPolarHBondContact O-CG1 3.36Å; R118-I120 PolarHBondContact O-N 3.15Å; I120-Y122 PolarHBondContact O-N 3.24Å
121	K	32.6	Very low	35	Very low	189 Å²	189	154.2 Å²	154.2	82%	0.822	80%	0.802	S	S	*	*			trans	-65.2	112.6	165	-101.2	-176.9	175.7	-178	0	107.5	L119	L119-K121 PolarHBondContact O-N 2.92Å; L119-K121 VanDerWaalsContact O-N 3.16Å
122	Y	33.8	Very low	34.9	Very low	205 Å²	205	155.6 Å²	155.6	80%	0.804	81%	0.807	S	S	*	*			trans	-61.6	132.6	170.8	-76	-89.2	0	0	0	109.7	I120 Q124	I120-Y122 PolarHBondContact O-N 3.24Å; Y122-Q124 PolarHBondContact O-N 3.12Å; Y122-Q124 VanDerWaalsContact O-N 3.13Å
123	P	39.1	Very low	35.1	Very low	112 Å²	112	152 Å²	152	73%	0.727	79%	0.792	S	S	*	*			trans	-65.5	113.3	170.4	24.1	-28.9	0	0	0	108.7	K125	P123-K125 PolarHBondContact O-N 2.77Å
124	Q	37.9	Very low	35.1	Very low	190 Å²	190	151.8 Å²	151.8	89%	0.888	79%	0.792	S	S	*	*			trans	-63.7	104.9	166.7	-77.9	-175.8	-26.1	0	0	107.1	Y122 E126	Y122-Q124 PolarHBondContact O-N 3.12Å; Y122-Q124 VanDerWaalsContact O-N 3.13Å; Q124-E126 PolarHBondContact O-N 2.95Å
125	K	42.2	Very low	35.3	Very low	193 Å²	193	151.3 Å²	151.3	84%	0.839	79%	0.793	S	S	*	*			trans	-70.3	110	167.3	-68.4	-140.2	178	-170.4	0	107.4	P123 C127	P123-K125 PolarHBondContact O-N 2.77Å; K125-C127 PolarHBondContact O-N 2.78Å
126	E	42.3	Very low	35.3	Very low	186 Å²	186	152.5 Å²	152.5	87%	0.869	80%	0.796	S	S	*	*			trans	-56.8	110.1	164	-73	176.7	163.9	0	0	107.6	Q124 N128	Q124-E126 PolarHBondContact O-N 2.95Å; E126-N128 PolarHBondContact O-N 3.35Å
127	C	33.7	Very low	35.6	Very low	109 Å²	109	151.7 Å²	151.7	74%	0.736	80%	0.795	S	S	*	*			trans	-73.2	94.5	179.3	-178.4	0	0	0	0	108.2	K125 K129	K125-C127 PolarHBondContact O-N 2.78Å; C127-K129 PolarHBondContact O-N 2.63Å
128	N	36.2	Very low	35.7	Very low	132 Å²	132	151.8 Å²	151.8	71%	0.706	80%	0.796	S	S	*	*			trans	-71.6	107.2	170	-169.6	-2.8	0	0	0	108.7	E126 Q130	E126-N128 PolarHBondContact O-N 3.35Å; N128-Q130 PolarHBondContact O-N 3.49Å
129	K	38.2	Very low	36	Very low	186 Å²	186	148.3 Å²	148.3	81%	0.809	80%	0.795	S	S	*	*			trans	-78.4	66.5	178.8	-65.8	-179.2	-179.9	180	0	110.5	C127	C127-K129 PolarHBondContact O-N 2.63Å
130	Q	35.5	Very low	35.8	Very low	159 Å²	159	150.2 Å²	150.2	74%	0.743	80%	0.796	S	S	*	*			trans	-160.8	92.5	171.6	-109	158.9	26.8	0	0	108.1	N128	N128-Q130 PolarHBondContact O-N 3.49Å
131	T	37.3	Very low	35.6	Very low	129 Å²	129	146.3 Å²	146.3	79%	0.791	79%	0.79	S	S	*	*			trans	173.9	70.9	143.8	-62.8	0	0	0	0	105.8	A133	T131-A133 VanDerWaalsContact C-N 3.34Å; T131-A133 HydrophobicContact CG2-CB 4.39Å
132	V	32.4	Very low	35.7	Very low	154 Å²	154	145.5 Å²	145.5	93%	0.933	79%	0.794	S	S	*	*			trans	-92.9	82	160.1	-179.9	0	0	0	0	104.7
133	A	33.9	Very low	36.1	Very low	68 Å²	68	143.1 Å²	143.1	56%	0.562	79%	0.794	S	S	*	*			trans	-142.2	94	175.3	0	0	0	0	0	108.8	T131	T131-A133 VanDerWaalsContact C-N 3.34Å; T131-A133 HydrophobicContact CG2-CB 4.39Å
134	N	30.5	Very low	36	Very low	146 Å²	146	141.4 Å²	141.4	78%	0.781	79%	0.789	S	S	*	*			trans	31.7	98.3	139.9	-55.9	-26.5	0	0	0	116.9
135	C	33.3	Very low	36.1	Very low	134 Å²	134	138.6 Å²	138.6	91%	0.905	79%	0.788	S	S	*	*			trans	-130.9	91.5	149.4	-74	0	0	0	0	107.6
136	T	30.9	Very low	36	Very low	134 Å²	134	134.7 Å²	134.7	82%	0.822	79%	0.785	S	S	*	*			trans	-83.9	107.2	168.3	-37.2	0	0	0	0	107.2
137	S	38.1	Very low	36	Very low	103 Å²	103	135.1 Å²	135.1	72%	0.72	78%	0.783	S	S	*	*			trans	-167.9	129.2	143.8	65.2	0	0	0	0	110.7
138	P	37.1	Very low	36.3	Very low	127 Å²	127	134.5 Å²	134.5	83%	0.825	79%	0.786	S	S	*	*			trans	-92.6	105.8	169.8	32	-24	0	0	0	108.3
139	D	37.4	Very low	36.4	Very low	158 Å²	158	134.4 Å²	134.4	85%	0.845	79%	0.79	S	S	*	*			trans	-111.5	121	170.3	-138.5	-13.5	0	0	0	111.5	G141	D139-G141 VanDerWaalsContact C-N 3.33Å; D139-G141 PolarHBondContact O-N 3.23Å
140	K	31.6	Very low	36.4	Very low	203 Å²	203	131.1 Å²	131.1	88%	0.883	79%	0.789	S	S	*	*			trans	-76.7	81.2	-177.1	-75.8	174.5	172.9	175.8	0	108.7
141	G	33.9	Very low	36.8	Very low	56 Å²	56	128.6 Å²	128.6	58%	0.577	79%	0.789	S	S	*	*			trans	-105.5	104	171.2	0	0	0	0	0	111.1	D139 I143	D139-G141 VanDerWaalsContact C-N 3.33Å; D139-G141 PolarHBondContact O-N 3.23Å; G141-I143 VanDerWaalsContact C-N 3.3Å; G141-I143 PolarHBondContact O-N 3.02Å
142	N	34.8	Very low	36.9	Very low	171 Å²	171	131.1 Å²	131.1	91%	0.914	79%	0.792	S	S	*	*			trans	-64.2	88.2	167.7	-64.9	-45.2	0	0	0	109.3	A144	N142-A144 PolarHBondContact O-N 2.93Å
143	I	42	Very low	37.2	Very low	156 Å²	156	131 Å²	131	80%	0.8	79%	0.785	S	S	*	*			trans	-84.5	103.5	175	-58.1	172.5	0	0	0	107.1	G141	G141-I143 VanDerWaalsContact C-N 3.3Å; G141-I143 PolarHBondContact O-N 3.02Å
144	A	36.7	Very low	37.7	Very low	76 Å²	76	133.5 Å²	133.5	63%	0.628	79%	0.793	S	S	*	*			trans	-53.8	145.1	169.5	0	0	0	0	0	110.3	N142 S146	N142-A144 PolarHBondContact O-N 2.93Å; A144-S146 PolarHBondContact O-N 3.22Å
145	P	41	Very low	38	Very low	131 Å²	131	132.5 Å²	132.5	85%	0.851	79%	0.792	S	S	*	*			trans	-61.6	105.9	179.9	23.3	-30.8	0	0	0	109.6
146	S	38.5	Very low	38.6	Very low	111 Å²	111	132.2 Å²	132.2	78%	0.776	79%	0.786	S	S	*	*			trans	-64.2	137.9	172.7	51.9	0	0	0	0	109.1	A144	A144-S146 PolarHBondContact O-N 3.22Å
147	K	43.9	Very low	39.2	Very low	194 Å²	194	135.1 Å²	135.1	84%	0.843	79%	0.787	S	S	*	*			trans	-52.2	137.8	-174.5	-68.3	-179.7	175.6	-179.7	0	110.9	V149	K147-V149 PolarHBondContact O-N 2.78Å
148	A	38.4	Very low	39.5	Very low	96 Å²	96	139.4 Å²	139.4	79%	0.793	79%	0.793	S	S	*	*			trans	-45.5	104.3	175.4	0	0	0	0	0	110.8	C150	A148-C150 PolarHBondContact O-N 2.83Å
149	V	39.1	Very low	39.6	Very low	130 Å²	130	144.6 Å²	144.6	79%	0.788	80%	0.796	S	S	*	*			trans	-72	100.3	165.7	178.4	0	0	0	0	105.5	K147 S151	K147-V149 PolarHBondContact O-N 2.78Å; V149-S151 PolarHBondContact O-N 2.8Å
150	C	38.8	Very low	40	Very low	118 Å²	118	145.5 Å²	145.5	80%	0.797	80%	0.795	S	S	*	*			trans	-54.4	108.2	168	-80	0	0	0	0	107.9	A148 E152	A148-C150 PolarHBondContact O-N 2.83Å; C150-E152 PolarHBondContact O-N 3.12Å; C150-E152 VanDerWaalsContact O-N 3.07Å
151	S	42.4	Very low	40.6	Very low	106 Å²	106	140.1 Å²	140.1	74%	0.741	79%	0.788	S	S	*	*			trans	-68.3	107	172.8	-57.5	0	0	0	0	107.7	V149 I153	V149-S151 PolarHBondContact O-N 2.8Å; S151-I153 PolarHBondContact O-N 3.24Å
152	E	40.3	Very low	41.2	Very low	181 Å²	181	147.2 Å²	147.2	85%	0.846	80%	0.803	S	S	*	*			trans	-61.4	118.9	173.3	-168.2	176.8	177.7	0	0	108.7	C150 V154	C150-E152 PolarHBondContact O-N 3.12Å; C150-E152 VanDerWaalsContact O-N 3.07Å; E152-V154 PolarHBondContact O-N 3.24Å
153	I	38.5	Very low	41.8	Very low	152 Å²	152	150 Å²	150	78%	0.779	80%	0.801	S	S	*	*			trans	-75.6	94.7	-175.4	-56.1	169.7	0	0	0	107.7	S151 T155	S151-I153 PolarHBondContact O-N 3.24Å; I153-T155 PolarHBondContact O-N 2.73Å
154	V	44.2	Very low	42	Very low	120 Å²	120	151.4 Å²	151.4	73%	0.727	80%	0.801	S	S	*	*			trans	-66.7	105.9	172.7	179.5	0	0	0	0	109	E152 V156	E152-V154 PolarHBondContact O-N 3.24Å; V154-V156 HydrophobicContact CG1-CG2 4.26Å; V154-V156 PolarHBondContact O-N 2.87Å
155	T	38.1	Very low	42.4	Very low	125 Å²	125	153.1 Å²	153.1	77%	0.767	81%	0.807	S	S	*	*			trans	-78.7	96.5	174.8	22.6	0	0	0	0	109.6	I153 K157	I153-T155 PolarHBondContact O-N 2.73Å; T155-K157 PolarHBondContact O-N 2.77Å; T155-K157 VanDerWaalsContact O-N 3.16Å
156	V	44.6	Very low	42.5	Very low	129 Å²	129	154 Å²	154	78%	0.782	80%	0.804	S	S	*	*			trans	-75.2	104.4	175	-172.2	0	0	0	0	109.3	V154 K158	V154-V156 HydrophobicContact CG1-CG2 4.26Å; V154-V156 PolarHBondContact O-N 2.87Å; V156-K158 PolarHBondContact O-N 3.34Å; V156-K158 VanDerWaalsContact O-N 3.13Å
157	K	45.1	Very low	42.8	Very low	194 Å²	194	155.9 Å²	155.9	84%	0.843	80%	0.804	S	S	*	*			trans	-66.7	107.8	169.6	-79.9	-172	176.3	178.9	0	109.7	T155 R159	T155-K157 PolarHBondContact O-N 2.77Å; T155-K157 VanDerWaalsContact O-N 3.16Å; K157-R159 PolarHBondContact O-N 3.14Å; K157-R159 VanDerWaalsContact O-N 3.12Å
158	K	43.2	Very low	42.8	Very low	193 Å²	193	151.3 Å²	151.3	84%	0.839	80%	0.797	S	S	*	*			trans	-66.5	104.7	173.8	-135.7	177.3	-173.9	179.3	0	109.1	V156	V156-K158 PolarHBondContact O-N 3.34Å; V156-K158 VanDerWaalsContact O-N 3.13Å
159	R	38.5	Very low	42.8	Very low	237 Å²	237	151.7 Å²	151.7	89%	0.894	79%	0.794	S	S	*	*			trans	-79.8	125.1	169.4	-71.4	-172.3	179.7	-178.5	0.8	109	K157 A161	K157-R159 PolarHBondContact O-N 3.14Å; K157-R159 VanDerWaalsContact O-N 3.12Å; R159-A161 PolarHBondContact O-N 2.82Å; R159-A161 VanDerWaalsContact O-N 3.13Å
160	H	46.2	Very low	42.8	Very low	177 Å²	177	152.5 Å²	152.5	82%	0.819	79%	0.794	S	S	*	*			trans	-73.8	97.7	172.1	-68.9	-81.7	0	0	0	109.1	K162	H160-K162 PolarHBondContact O-N 2.78Å; H160-K162 VanDerWaalsContact O-N 3.16Å
161	A	45.1	Very low	42.5	Very low	89 Å²	89	152.5 Å²	152.5	74%	0.736	80%	0.795	S	S	*	*			trans	-71.3	104.7	168.7	0	0	0	0	0	108.8	R159 R163	R159-A161 PolarHBondContact O-N 2.82Å; R159-A161 VanDerWaalsContact O-N 3.13Å; A161-R163 PolarHBondContact O-N 3.18Å; A161-R163 VanDerWaalsContact O-N 3.11Å
162	K	45.8	Very low	42.3	Very low	205 Å²	205	152.8 Å²	152.8	89%	0.891	80%	0.797	S	S	*	*			trans	-67.7	101.5	165.7	-73.8	-167.7	176.8	-176	0	107.7	H160 K164	H160-K162 PolarHBondContact O-N 2.78Å; H160-K162 VanDerWaalsContact O-N 3.16Å; K162-K164 PolarHBondContact O-N 3.03Å
163	R	48	Very low	41.9	Very low	230 Å²	230	150.2 Å²	150.2	87%	0.868	79%	0.793	S	S	*	*			trans	-74.9	116.2	165.4	-66.4	-176	-173.9	166.5	0.6	107.4	A161	A161-R163 PolarHBondContact O-N 3.18Å; A161-R163 VanDerWaalsContact O-N 3.11Å
164	K	46.6	Very low	41.9	Very low	185 Å²	185	149.2 Å²	149.2	80%	0.804	79%	0.794	S	S	*	*			trans	-72.2	118.3	160.8	-72.4	-106.5	-177.6	171.2	0	105.8	K162	K162-K164 PolarHBondContact O-N 3.03Å
165	C	44.4	Very low	41.5	Very low	113 Å²	113	150.9 Å²	150.9	76%	0.764	80%	0.799	S	S	*	*			trans	-86.3	108.1	163	-72.3	0	0	0	0	106	I167	C165-I167 PolarHBondContact O-N 3.48Å
166	D	42	Very low	41.4	Very low	148 Å²	148	149.5 Å²	149.5	79%	0.791	79%	0.794	S	S	*	*			trans	-71.7	117	167.2	-63.6	-41.4	0	0	0	107.3	S168	D166-S168 PolarHBondContact O-N 2.78Å
167	I	45.4	Very low	41	Very low	151 Å²	151	148.7 Å²	148.7	77%	0.774	79%	0.794	S	S	*	*			trans	-79.9	95.8	176.9	-63.7	158.3	0	0	0	105.7	C165 S169	C165-I167 PolarHBondContact O-N 3.48Å; I167-S169 PolarHBondContact O-N 2.78Å
168	S	43.2	Very low	40.6	Very low	98 Å²	98	145.2 Å²	145.2	69%	0.685	79%	0.789	S	S	*	*			trans	-69.2	113.5	167.7	-165.2	0	0	0	0	108.1	D166 D170	D166-S168 PolarHBondContact O-N 2.78Å; S168-D170 PolarHBondContact O-N 2.77Å
169	S	39.2	Very low	40.4	Very low	104 Å²	104	144.2 Å²	144.2	73%	0.727	79%	0.787	S	S	*	*			trans	-88.7	78.6	175.7	-61.3	0	0	0	0	108.6	I167	I167-S169 PolarHBondContact O-N 2.78Å
170	D	38.2	Very low	40.5	Very low	148 Å²	148	137.4 Å²	137.4	79%	0.791	78%	0.776	S	S	*	*			trans	-103.3	100.8	164.2	-87.7	-31.4	0	0	0	109.3	S168 S172	S168-D170 PolarHBondContact O-N 2.77Å; D170-S172 PolarHBondContact O-N 2.79Å
171	S	34.4	Very low	40.3	Very low	118 Å²	118	135.1 Å²	135.1	83%	0.825	78%	0.775	S	S	*	*			trans	-68	116.2	169.7	54.4	0	0	0	0	110.2
172	S	38.1	Very low	40.1	Very low	111 Å²	111	139.3 Å²	139.3	78%	0.776	78%	0.777	S	S	*	*			trans	-147.3	104.9	151.8	66.6	0	0	0	0	110.5	D170 V174	D170-S172 PolarHBondContact O-N 2.79Å; S172-V174 PolarHBondContact O-N 3.17Å
173	V	31.3	Very low	39.9	Very low	128 Å²	128	136.1 Å²	136.1	78%	0.776	77%	0.774	S	S	*	*			trans	-20.7	114.3	159.6	-176.1	0	0	0	0	114.5
174	V	38.4	Very low	39.6	Very low	130 Å²	130	131 Å²	131	79%	0.788	77%	0.768	S	S	*	*			trans	-144.7	107.7	138	-177.9	0	0	0	0	108	S172 S176	S172-V174 PolarHBondContact O-N 3.17Å; V174-S176 PolarHBondContact O-N 3.47Å; V174-S176 VanDerWaalsContact O-N 3.16Å
175	N	35.1	Very low	39.6	Very low	156 Å²	156	127.1 Å²	127.1	83%	0.834	76%	0.762	S	S	*	*			trans	-63.5	109.1	170.2	-66.5	-34	0	0	0	109
176	S	37	Very low	39.9	Very low	95 Å²	95	126.8 Å²	126.8	66%	0.664	76%	0.761	S	S	*	*			trans	-121.5	111	153.5	62.1	0	0	0	0	108.5	V174 V178	V174-S176 PolarHBondContact O-N 3.47Å; V174-S176 VanDerWaalsContact O-N 3.16Å; S176-V178 VanDerWaalsContact C-N 3.28Å; S176-V178 PolarHBondContact O-N 3.1Å
177	S	35.8	Very low	40.3	Very low	112 Å²	112	125.3 Å²	125.3	78%	0.783	76%	0.757	S	S	*	*			trans	-65.7	84.9	175.9	157.8	0	0	0	0	109
178	V	37.5	Very low	40.7	Very low	121 Å²	121	124.1 Å²	124.1	73%	0.733	76%	0.757	S	S	*	*			trans	-95	104.4	161.3	-155.3	0	0	0	0	105.4	S176 S180	S176-V178 VanDerWaalsContact C-N 3.28Å; S176-V178 PolarHBondContact O-N 3.1Å; V178-S180 VanDerWaalsContact C-N 3.34Å; V178-S180 PolarHBondContact O-N 2.75Å
179	Q	37.2	Very low	41	Very low	172 Å²	172	130 Å²	130	80%	0.804	76%	0.764	S	S	*	*			trans	-54.5	101.9	171.7	-82.2	172.6	-10.7	0	0	107.9	T181	Q179-T181 PolarHBondContact O-N 3.08Å
180	S	41.2	Very low	41.9	Very low	95 Å²	95	133.8 Å²	133.8	66%	0.664	77%	0.77	S	S	*	*			trans	-67.5	99.6	170.7	-174.2	0	0	0	0	106.5	V178 F182	V178-S180 VanDerWaalsContact C-N 3.34Å; V178-S180 PolarHBondContact O-N 2.75Å; S180-F182 VanDerWaalsContact C-N 3.29Å; S180-F182 WeakPolarHBondContact O-CD2 3.12Å; S180-F182 PolarHBondContact O-N 2.8Å
181	T	42.9	Very low	43	Very low	128 Å²	128	134.6 Å²	134.6	79%	0.785	77%	0.773	S	S	*	*			trans	-59.8	98.9	168.7	-55.8	0	0	0	0	106.9	Q179 V183	Q179-T181 PolarHBondContact O-N 3.08Å; T181-V183 PolarHBondContact O-N 3.35Å; T181-V183 VanDerWaalsContact O-N 3.12Å
182	F	40.7	Very low	44.4	Very low	178 Å²	178	139.9 Å²	139.9	78%	0.781	78%	0.775	S	S	*	*			trans	-48.9	121.6	174	-75.1	-90.3	0	0	0	108.8	S180 V184	S180-F182 VanDerWaalsContact C-N 3.29Å; S180-F182 WeakPolarHBondContact O-CD2 3.12Å; S180-F182 PolarHBondContact O-N 2.8Å; F182-V184 VanDerWaalsContact C-N 3.29Å; F182-V184 PolarHBondContact O-N 3.25Å
183	V	42.2	Very low	45.5	Very low	138 Å²	138	140.4 Å²	140.4	84%	0.836	78%	0.776	S	S	*	*			trans	-65.3	95.9	169.6	177.3	0	0	0	0	106.1	T181 P185	T181-V183 PolarHBondContact O-N 3.35Å; T181-V183 VanDerWaalsContact O-N 3.12Å; V183-P185 WeakPolarHBondContact O-CD 3.42Å
184	V	41.7	Very low	46.7	Very low	123 Å²	123	146 Å²	146	75%	0.745	78%	0.783	S	S	*	*			trans	-64	116	173.3	179.4	0	0	0	0	106.8	F182 S186	F182-V184 VanDerWaalsContact C-N 3.29Å; F182-V184 PolarHBondContact O-N 3.25Å; V184-S186 PolarHBondContact O-N 2.98Å
185	P	46.7	Very low	47.6	Very low	103 Å²	103	151.4 Å²	151.4	67%	0.669	79%	0.79	S	S	*	*			trans	-61.3	117.3	173.4	22.9	-29.1	0	0	0	107.8	V183 T187	V183-P185 WeakPolarHBondContact O-CD 3.42Å; P185-T187 PolarHBondContact O-N 3.14Å
186	S	50.5	Low	48.7	Very low	106 Å²	106	153.6 Å²	153.6	74%	0.741	79%	0.792	S	S	*	*			trans	-64.2	98.2	176.9	63.3	0	0	0	0	108.3	V184 V188	V184-S186 PolarHBondContact O-N 2.98Å; S186-V188 PolarHBondContact O-N 3.27Å
187	T	50.1	Low	49.4	Very low	116 Å²	116	153.7 Å²	153.7	71%	0.712	80%	0.798	S	S	*	*			trans	-64.3	108.9	169.8	54.9	0	0	0	0	107.1	P185 R189	P185-T187 PolarHBondContact O-N 3.14Å; T187-R189 VanDerWaalsContact C-N 3.31Å; T187-R189 PolarHBondContact O-N 2.57Å
188	V	53.4	Low	50.2	Low	127 Å²	127	154.2 Å²	154.2	77%	0.77	80%	0.797	S	S	*	*			trans	-62.9	96	171.9	-178.8	0	0	0	0	106.6	S186 Q190	S186-V188 PolarHBondContact O-N 3.27Å; V188-Q190 PolarHBondContact O-N 3.03Å
189	R	49.1	Very low	50.7	Low	220 Å²	220	153.9 Å²	153.9	83%	0.83	80%	0.797	S	S	*	*			trans	-62	105.6	173	-80.6	-177	165.5	-170.2	-3.7	107.3	T187 L191	T187-R189 VanDerWaalsContact C-N 3.31Å; T187-R189 PolarHBondContact O-N 2.57Å; R189-L191 PolarHBondContact O-N 3Å; R189-L191 VanDerWaalsContact O-N 3.08Å
190	Q	59.3	Low	51	Low	184 Å²	184	153.1 Å²	153.1	86%	0.86	80%	0.797	S	S	*	*			trans	-59.8	113.5	172.2	-68.1	-177.6	-8.1	0	0	108.2	V188 R192	V188-Q190 PolarHBondContact O-N 3.03Å; Q190-R192 PolarHBondContact O-N 2.9Å
191	L	60	Low	51.2	Low	165 Å²	165	154 Å²	154	86%	0.864	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-66.9	123.1	177.9	-66.9	172.7	0	0	0	108.6	R189	R189-L191 PolarHBondContact O-N 3Å; R189-L191 VanDerWaalsContact O-N 3.08Å
192	R	63.7	Low	51	Low	230 Å²	230	152.4 Å²	152.4	87%	0.868	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-62.6	139.6	174.2	-76.7	-177.5	-177.8	142.9	-0.3	110.2	Q190 R194	Q190-R192 PolarHBondContact O-N 2.9Å; R192-R194 PolarHBondContact O-N 3.13Å
193	P	62.4	Low	51	Low	122 Å²	122	151.1 Å²	151.1	79%	0.792	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-54.5	126.3	172	-25.7	34.4	0	0	0	111.4	R195	P193-R195 PolarHBondContact O-N 2.94Å
194	R	56.4	Low	50.9	Low	246 Å²	246	152.7 Å²	152.7	93%	0.928	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-63.2	118.3	174	-84.8	178.4	150.6	171.7	-7.1	109.3	R192 K196	R192-R194 PolarHBondContact O-N 3.13Å; R194-K196 PolarHBondContact O-N 3.09Å
195	R	56.1	Low	50.7	Low	243 Å²	243	152.2 Å²	152.2	92%	0.917	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-58.4	128.6	166.8	-70.7	178	83	163.7	2.9	107.9	P193 A197	P193-R195 PolarHBondContact O-N 2.94Å; R195-A197 PolarHBondContact O-N 2.84Å; R195-A197 VanDerWaalsContact O-N 3.13Å
196	K	58.5	Low	50.1	Low	202 Å²	202	154.8 Å²	154.8	88%	0.878	80%	0.801	S	S	*	*			trans	-59.5	114.3	173.9	-67.3	-81.6	-177.2	171.1	0	107.2	R194 T198	R194-K196 PolarHBondContact O-N 3.09Å; K196-T198 PolarHBondContact O-N 3.11Å
197	A	51.9	Low	49.4	Very low	96 Å²	96	155.1 Å²	155.1	79%	0.793	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-63.3	117.6	169.3	0	0	0	0	0	107.2	R195	R195-A197 PolarHBondContact O-N 2.84Å; R195-A197 VanDerWaalsContact O-N 3.13Å
198	T	52.8	Low	48.9	Very low	124 Å²	124	156.9 Å²	156.9	76%	0.761	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-62.2	125.7	168.4	32.8	0	0	0	0	108	K196 I200	K196-T198 PolarHBondContact O-N 3.11Å; T198-I200 PolarHBondContact O-N 3.37Å
199	P	47	Very low	48.1	Very low	113 Å²	113	159.8 Å²	159.8	73%	0.734	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-63.1	123.1	174.9	25.6	-31	0	0	0	108.3	V201	P199-V201 PolarHBondContact O-N 3.42Å; P199-V201 VanDerWaalsContact O-N 3.12Å
200	I	44.6	Very low	47.8	Very low	157 Å²	157	154.7 Å²	154.7	81%	0.805	81%	0.806	S	S	*	*			trans	-68.4	107.8	167.2	-63.6	166.8	0	0	0	105.1	T198 S202	T198-I200 PolarHBondContact O-N 3.37Å; I200-S202 PolarHBondContact O-N 2.91Å
201	V	44.5	Very low	46.7	Very low	113 Å²	113	154.9 Å²	154.9	69%	0.685	81%	0.807	S	S	*	*			trans	-72.1	106.8	171.6	178.9	0	0	0	0	105.8	P199	P199-V201 PolarHBondContact O-N 3.42Å; P199-V201 VanDerWaalsContact O-N 3.12Å
202	S	39.9	Very low	45.8	Very low	94 Å²	94	151.9 Å²	151.9	66%	0.657	80%	0.8	S	S	*	*			trans	-82.1	113.1	165.9	-66.9	0	0	0	0	107.7	I200 Q204	I200-S202 PolarHBondContact O-N 2.91Å; S202-Q204 PolarHBondContact O-N 3.08Å
203	D	40.6	Very low	44.4	Very low	152 Å²	152	148.3 Å²	148.3	81%	0.813	80%	0.797	S	S	*	*			trans	-65.8	92	169.3	-63.8	-39.9	0	0	0	109.1
204	Q	39.7	Very low	43.3	Very low	171 Å²	171	148 Å²	148	80%	0.799	79%	0.793	S	S	*	*			trans	-117.3	94.7	164.3	-76.4	-174.1	15	0	0	109.3	S202	S202-Q204 PolarHBondContact O-N 3.08Å
205	S	37.2	Very low	42.4	Very low	113 Å²	113	144 Å²	144	79%	0.79	79%	0.787	S	S	*	*			trans	56.4	96.1	135.5	-41.8	0	0	0	0	117.5	S207	S205-S207 PolarHBondContact O-N 2.92Å
206	L	35.3	Very low	41.6	Very low	157 Å²	157	138.5 Å²	138.5	82%	0.822	78%	0.78	S	S	*	*			trans	-47.6	122.3	158.6	-67.1	155.3	0	0	0	111.6
207	S	35.3	Very low	40.7	Very low	113 Å²	113	138.3 Å²	138.3	79%	0.79	78%	0.779	S	S	*	*			trans	-130	98	155.6	174.4	0	0	0	0	107.9	S205	S205-S207 PolarHBondContact O-N 2.92Å
208	H	39.9	Very low	40	Very low	153 Å²	153	138.8 Å²	138.8	71%	0.708	78%	0.777	S	S	*	*			trans	-50.3	131.4	167.5	-56.9	-82.7	0	0	0	110.8
209	Q	36.7	Very low	39.2	Very low	187 Å²	187	138.9 Å²	138.9	87%	0.874	78%	0.777	S	S	*	*			trans	-167	89	142.6	-75.4	-134.4	22.2	0	0	108.1
210	S	41.7	Very low	38.8	Very low	113 Å²	113	140.6 Å²	140.6	79%	0.79	78%	0.779	S	S	*	*			trans	-129.7	96.5	167.5	57.4	0	0	0	0	107.9	S212	S210-S212 PolarHBondContact O-N 3.39Å; S210-S212 VanDerWaalsContact O-N 3.17Å
211	E	37.6	Very low	38.4	Very low	189 Å²	189	141.8 Å²	141.8	88%	0.883	78%	0.778	S	S	*	*			trans	-67	103.8	168.7	-73.6	178.3	148.7	0	0	108.6	L213	E211-L213 PolarHBondContact O-N 3.17Å
212	S	39.5	Very low	38.1	Very low	101 Å²	101	143.3 Å²	143.3	71%	0.706	78%	0.783	S	S	*	*			trans	-83.5	107.7	172.4	59.9	0	0	0	0	109.5	S210 V214	S210-S212 PolarHBondContact O-N 3.39Å; S210-S212 VanDerWaalsContact O-N 3.17Å; S212-V214 PolarHBondContact O-N 3.18Å
213	L	34.3	Very low	38.1	Very low	155 Å²	155	144.3 Å²	144.3	81%	0.812	79%	0.787	S	S	*	*			trans	-71.5	103.8	173.5	-154.3	93.2	0	0	0	109.5	E211 M215	E211-L213 PolarHBondContact O-N 3.17Å; L213-M215 PolarHBondContact O-N 2.98Å
214	V	39	Very low	38	Very low	115 Å²	115	144 Å²	144	70%	0.697	79%	0.785	S	S	*	*			trans	-76.7	102.8	178.5	179.4	0	0	0	0	109.5	S212 T216	S212-V214 PolarHBondContact O-N 3.18Å; V214-T216 HydrophobicContact CG1-CG2 4.16Å; V214-T216 PolarHBondContact O-N 2.88Å
215	M	38.7	Very low	37.8	Very low	164 Å²	164	142.9 Å²	142.9	81%	0.808	79%	0.79	S	S	*	*			trans	-83.4	97.9	170.5	-74.8	-69.5	-123.6	0	0	110.1	L213 K217	L213-M215 PolarHBondContact O-N 2.98Å; M215-K217 PolarHBondContact O-N 3.5Å
216	T	38.2	Very low	37.8	Very low	126 Å²	126	147.9 Å²	147.9	77%	0.773	79%	0.791	S	S	*	*			trans	-72.5	114.1	173	49.7	0	0	0	0	110.6	V214 S218	V214-T216 HydrophobicContact CG1-CG2 4.16Å; V214-T216 PolarHBondContact O-N 2.88Å; T216-S218 PolarHBondContact O-N 3.37Å
217	K	39.5	Very low	37.8	Very low	199 Å²	199	145.7 Å²	145.7	87%	0.865	79%	0.789	S	S	*	*			trans	-74.3	108.9	169.6	-66.5	179.6	178	179.3	0	109.1	M215 V219	M215-K217 PolarHBondContact O-N 3.5Å; K217-V219 PolarHBondContact O-N 3.4Å
218	S	37.2	Very low	38.2	Very low	105 Å²	105	146 Å²	146	73%	0.734	79%	0.787	S	S	*	*			trans	-78	116.1	171.1	52.7	0	0	0	0	110	T216 L220	T216-S218 PolarHBondContact O-N 3.37Å; S218-L220 PolarHBondContact O-N 3.13Å
219	V	36.6	Very low	38.1	Very low	127 Å²	127	148.4 Å²	148.4	77%	0.77	80%	0.795	S	S	*	*			trans	-88.9	90.9	171.2	177.3	0	0	0	0	107.1	K217 K221	K217-V219 PolarHBondContact O-N 3.4Å; V219-K221 PolarHBondContact O-N 3.04Å
220	L	39.1	Very low	38	Very low	148 Å²	148	151.2 Å²	151.2	78%	0.775	80%	0.797	S	S	*	*			trans	-80.5	96.6	168.8	-103.9	102.3	0	0	0	109.4	S218	S218-L220 PolarHBondContact O-N 3.13Å
221	K	35.7	Very low	38	Very low	183 Å²	183	154.9 Å²	154.9	80%	0.796	80%	0.799	S	S	*	*			trans	-81.3	119.8	160.6	-105.1	174.3	173.6	177.8	0	108.1	V219	V219-K221 PolarHBondContact O-N 3.04Å
222	N	39.2	Very low	37.8	Very low	144 Å²	144	155.2 Å²	155.2	77%	0.77	80%	0.798	S	S	*	*			trans	-138.2	104	158.1	-90	-36.3	0	0	0	109
223	P	39.4	Very low	37.7	Very low	115 Å²	115	155.8 Å²	155.8	75%	0.747	80%	0.797	S	S	*	*			trans	-85.7	117.5	164	31.9	-24.1	0	0	0	108.1
224	N	37.6	Very low	37.7	Very low	146 Å²	146	156.3 Å²	156.3	78%	0.781	80%	0.8	S	S	*	*			trans	-136.9	84	165.1	-149.9	-15.2	0	0	0	110.2	R226	N224-R226 PolarHBondContact O-N 2.91Å
225	V	35.9	Very low	37.6	Very low	147 Å²	147	155.4 Å²	155.4	89%	0.891	80%	0.799	S	S	*	*			trans	-72.9	102.9	160.5	-97.3	0	0	0	0	107.7
226	R	38.5	Very low	37.4	Very low	219 Å²	219	153.2 Å²	153.2	83%	0.826	80%	0.8	S	S	*	*			trans	-131.8	96.2	160.6	-158.7	171.4	-167.2	168.1	4.2	109.5	N224	N224-R226 PolarHBondContact O-N 2.91Å
227	S	35.2	Very low	37.2	Very low	111 Å²	111	155.2 Å²	155.2	78%	0.776	80%	0.8	S	S	*	*			trans	-69.9	133.4	159.5	59.7	0	0	0	0	108.3
228	T	43.6	Very low	36.9	Very low	120 Å²	120	153.9 Å²	153.9	74%	0.736	80%	0.802	S	S	*	*			trans	-169.5	128.5	145	39.5	0	0	0	0	111.3
229	K	37.1	Very low	37	Very low	202 Å²	202	156.1 Å²	156.1	88%	0.878	81%	0.805	S	S	*	*			trans	57.2	104.9	144.8	-101.4	174.3	172.8	176	0	119.6	K231	K229-K231 PolarHBondContact O-N 3.07Å
230	R	33.8	Very low	37.1	Very low	247 Å²	247	158.5 Å²	158.5	93%	0.932	81%	0.807	S	S	*	*			trans	-36.2	122.7	149	-63.6	175.9	173.5	-178.1	-3.6	111.4
231	K	42.6	Very low	37.2	Very low	189 Å²	189	157.4 Å²	157.4	82%	0.822	81%	0.807	S	S	*	*			trans	-124.4	105.9	157.8	-146.7	178.7	-175.8	-175	0	106.6	K229 T233	K229-K231 PolarHBondContact O-N 3.07Å; K231-T233 PolarHBondContact O-N 2.7Å
232	K	34.2	Very low	37.4	Very low	197 Å²	197	156.5 Å²	156.5	86%	0.857	81%	0.807	S	S	*	*			trans	-67.8	119.1	166.8	-79.1	179.2	170.8	-174.7	0	106.7
233	T	37.5	Very low	37.5	Very low	113 Å²	113	157 Å²	157	69%	0.693	81%	0.81	S	S	*	*			trans	-135.5	101.3	160.7	35	0	0	0	0	105.8	K231 S235	K231-T233 PolarHBondContact O-N 2.7Å; T233-S235 PolarHBondContact O-N 3.33Å
234	D	33.2	Very low	37.5	Very low	165 Å²	165	156.6 Å²	156.6	88%	0.882	81%	0.81	S	S	*	*			trans	-65.2	111.5	161	-68.5	-49.6	0	0	0	107.2
235	S	37.6	Very low	37.9	Very low	96 Å²	96	155.3 Å²	155.3	67%	0.671	81%	0.81	S	S	*	*			trans	-149.1	107.1	157.3	67.4	0	0	0	0	108.8	T233 H237	T233-S235 PolarHBondContact O-N 3.33Å; S235-H237 PolarHBondContact O-N 3.41Å; S235-H237 VanDerWaalsContact O-N 3.12Å
236	S	33.9	Very low	38	Very low	118 Å²	118	151.4 Å²	151.4	83%	0.825	80%	0.799	S	S	*	*			trans	-53.9	104.7	163	49.6	0	0	0	0	110.2
237	H	35.1	Very low	38.3	Very low	169 Å²	169	147.5 Å²	147.5	78%	0.782	80%	0.799	S	S	*	*			trans	-131.7	103.2	151.8	-98.1	-76.5	0	0	0	108	S235 L239	S235-H237 PolarHBondContact O-N 3.41Å; S235-H237 VanDerWaalsContact O-N 3.12Å; H237-L239 VanDerWaalsContact C-N 3.35Å; H237-L239 PolarHBondContact O-N 3.29Å
238	L	31.5	Very low	38.9	Very low	170 Å²	170	149.3 Å²	149.3	89%	0.89	80%	0.798	S	S	*	*			trans	-40.9	99.2	154.5	-89	147.9	0	0	0	108.6
239	L	40.5	Very low	39	Very low	152 Å²	152	147.5 Å²	147.5	80%	0.796	80%	0.796	S	S	*	*			trans	-99	106.6	158.5	-128.3	81.9	0	0	0	105.7	H237 V241	H237-L239 VanDerWaalsContact C-N 3.35Å; H237-L239 PolarHBondContact O-N 3.29Å; L239-V241 PolarHBondContact O-N 3.13Å
240	E	38.6	Very low	39.4	Very low	177 Å²	177	144.6 Å²	144.6	83%	0.827	79%	0.79	S	S	*	*			trans	-49.8	104.5	168.1	-73.6	175.4	135.8	0	0	108.5	M242	E240-M242 VanDerWaalsContact C-N 3.34Å; E240-M242 PolarHBondContact O-N 3.26Å
241	V	40.1	Very low	40.2	Very low	126 Å²	126	138 Å²	138	76%	0.764	78%	0.779	S	S	*	*			trans	-69.7	102.6	168.4	176	0	0	0	0	105.5	L239 N243	L239-V241 PolarHBondContact O-N 3.13Å; V241-N243 PolarHBondContact O-N 3.09Å
242	M	39.6	Very low	40.7	Very low	163 Å²	163	135.6 Å²	135.6	80%	0.803	78%	0.78	S	S	*	*			trans	-45.2	103.9	169.8	-69.1	-81.2	-83.5	0	0	108.8	E240 S244	E240-M242 VanDerWaalsContact C-N 3.34Å; E240-M242 PolarHBondContact O-N 3.26Å; M242-S244 VanDerWaalsContact C-N 3.31Å; M242-S244 PolarHBondContact O-N 3.44Å
243	N	41.8	Very low	41.5	Very low	156 Å²	156	131.8 Å²	131.8	83%	0.834	77%	0.773	S	S	*	*			trans	-61.3	95.8	172.4	-74.9	-41.4	0	0	0	107.6	V241 P245	V241-N243 PolarHBondContact O-N 3.09Å; N243-P245 WeakPolarHBondContact O-CD 3.35Å
244	S	38.8	Very low	42.3	Very low	105 Å²	105	131.1 Å²	131.1	73%	0.734	77%	0.771	S	S	*	*			trans	-68.1	121.6	167.6	-61.8	0	0	0	0	106.8	M242 G246	M242-S244 VanDerWaalsContact C-N 3.31Å; M242-S244 PolarHBondContact O-N 3.44Å; S244-G246 PolarHBondContact O-N 3.33Å
245	P	46.8	Very low	43.1	Very low	120 Å²	120	129 Å²	129	78%	0.779	77%	0.766	S	S	*	*			trans	-64.2	105.2	-178.1	23.7	-30.9	0	0	0	108.6	N243 V247	N243-P245 WeakPolarHBondContact O-CD 3.35Å; P245-V247 PolarHBondContact O-N 3.07Å
246	G	38.5	Very low	43.6	Very low	64 Å²	64	130.3 Å²	130.3	66%	0.66	77%	0.77	S	S	*	*			trans	-60.3	109.7	168.8	0	0	0	0	0	107.9	S244 I248	S244-G246 PolarHBondContact O-N 3.33Å; G246-I248 VanDerWaalsContact C-N 3.28Å; G246-I248 PolarHBondContact O-N 2.97Å
247	V	45.2	Very low	44.5	Very low	138 Å²	138	132.7 Å²	132.7	84%	0.836	77%	0.773	S	S	*	*			trans	-66.4	96.8	167.9	179	0	0	0	0	105.8	P245 A249	P245-V247 PolarHBondContact O-N 3.07Å; V247-A249 VanDerWaalsContact C-N 3.31Å; V247-A249 PolarHBondContact O-N 3.4Å
248	I	47.3	Very low	45.4	Very low	148 Å²	148	130.1 Å²	130.1	76%	0.759	77%	0.769	S	S	*	*			trans	-66.6	99.9	168.5	-61	171.4	0	0	0	104.8	G246 D250	G246-I248 VanDerWaalsContact C-N 3.28Å; G246-I248 PolarHBondContact O-N 2.97Å; I248-D250 PolarHBondContact O-N 3.34Å; I248-D250 VanDerWaalsContact O-N 3.14Å
249	A	45.2	Very low	46.5	Very low	83 Å²	83	127.2 Å²	127.2	69%	0.686	76%	0.76	S	S	*	*			trans	-63.8	113	168.6	0	0	0	0	0	106.9	V247	V247-A249 VanDerWaalsContact C-N 3.31Å; V247-A249 PolarHBondContact O-N 3.4Å
250	D	44.9	Very low	47.1	Very low	140 Å²	140	131.5 Å²	131.5	75%	0.749	77%	0.766	S	S	*	*			trans	-54.1	132	172.6	-83.8	-31.4	0	0	0	108.9	I248 V252	I248-D250 PolarHBondContact O-N 3.34Å; I248-D250 VanDerWaalsContact O-N 3.14Å; D250-V252 PolarHBondContact O-N 3.34Å; D250-V252 VanDerWaalsContact O-N 3.1Å
251	P	51.7	Low	48	Very low	109 Å²	109	131.7 Å²	131.7	71%	0.708	77%	0.766	S	S	*	*			trans	-59.2	122.5	177.5	24.3	-31.9	0	0	0	108.2	T253	P251-T253 PolarHBondContact O-N 3.38Å
252	V	52.4	Low	48.7	Very low	138 Å²	138	137 Å²	137	84%	0.836	77%	0.772	S	S	*	*			trans	-55.6	104.1	174.9	177.5	0	0	0	0	107.9	D250 P254	D250-V252 PolarHBondContact O-N 3.34Å; D250-V252 VanDerWaalsContact O-N 3.1Å; V252-P254 VanDerWaalsContact O-CD 3.32Å; V252-P254 WeakPolarHBondContact O-CD 3.46Å; V252-P254 VanDerWaalsContact O-N 3.13Å
253	T	50.9	Low	49.4	Very low	117 Å²	117	140.7 Å²	140.7	72%	0.718	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-58.1	116.9	176.4	-55.3	0	0	0	0	108.1	P251	P251-T253 PolarHBondContact O-N 3.38Å
254	P	55	Low	50.3	Low	99 Å²	99	139.6 Å²	139.6	64%	0.643	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-62.2	143.5	177.7	24.6	-31.9	0	0	0	109.2	V252 T256	V252-P254 VanDerWaalsContact O-CD 3.32Å; V252-P254 WeakPolarHBondContact O-CD 3.46Å; V252-P254 VanDerWaalsContact O-N 3.13Å; P254-T256 PolarHBondContact O-N 2.95Å
255	P	49.1	Very low	51	Low	120 Å²	120	142.5 Å²	142.5	78%	0.779	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-56.4	118.9	-179.6	21.9	-31.8	0	0	0	109.5	L257	P255-L257 PolarHBondContact O-N 3.39Å
256	T	48.8	Very low	51.4	Low	125 Å²	125	142.4 Å²	142.4	77%	0.767	78%	0.777	S	S	*	*			trans	-55.8	106.4	175.9	-29.5	0	0	0	0	107.9	P254 V258	P254-T256 PolarHBondContact O-N 2.95Å; T256-V258 VanDerWaalsContact C-N 3.28Å; T256-V258 PolarHBondContact O-N 3.34Å
257	L	52.2	Low	52.3	Low	168 Å²	168	143.2 Å²	143.2	88%	0.88	78%	0.778	S	S	*	*			trans	-64.8	94	174	-77.9	167.3	0	0	0	107.4	P255	P255-L257 PolarHBondContact O-N 3.39Å
258	V	55.3	Low	52.3	Low	115 Å²	115	144.2 Å²	144.2	70%	0.697	78%	0.779	S	S	*	*			trans	-53.5	127	174.8	-177.7	0	0	0	0	107.4	T256 R260	T256-V258 VanDerWaalsContact C-N 3.28Å; T256-V258 PolarHBondContact O-N 3.34Å; V258-R260 PolarHBondContact O-N 3.2Å
259	P	53	Low	52.6	Low	109 Å²	109	143 Å²	143	71%	0.708	78%	0.778	S	S	*	*			trans	-53.6	114.5	178.8	-26.1	33.7	0	0	0	109.4	H261	P259-H261 PolarHBondContact O-N 2.82Å
260	R	53.8	Low	53.1	Low	242 Å²	242	147.8 Å²	147.8	91%	0.913	79%	0.786	S	S	*	*			trans	-52.6	116.2	171.7	-84.5	-178.7	173.2	162.7	-0.4	107.2	V258 R262	V258-R260 PolarHBondContact O-N 3.2Å; R260-R262 PolarHBondContact O-N 3Å
261	H	56.5	Low	53.3	Low	180 Å²	180	151.7 Å²	151.7	83%	0.833	79%	0.791	S	S	*	*			trans	-45.4	116.2	175.7	-68.6	-73.1	0	0	0	108.9	P259 R263	P259-H261 PolarHBondContact O-N 2.82Å; H261-R263 PolarHBondContact O-N 3.46Å
262	R	55.1	Low	53.3	Low	237 Å²	237	157.9 Å²	157.9	89%	0.894	80%	0.8	S	S	*	*			trans	-54	118.4	172.7	-83.1	-177.6	162.4	174.8	-4.3	106.8	R260 V264	R260-R262 PolarHBondContact O-N 3Å; R262-V264 PolarHBondContact O-N 3.41Å
263	R	54	Low	53.2	Low	242 Å²	242	162.1 Å²	162.1	91%	0.913	80%	0.801	S	S	*	*			trans	-57.4	105.4	177.6	-168.9	178.4	-173.2	-172.6	0.3	107.7	H261 Q265	H261-R263 PolarHBondContact O-N 3.46Å; R263-Q265 PolarHBondContact O-N 3.04Å; R263-Q265 VanDerWaalsContact O-N 3.13Å
264	V	62.5	Low	53.3	Low	133 Å²	133	167.7 Å²	167.7	81%	0.806	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-62.3	116	176.4	-175.8	0	0	0	0	106.7	R262	R262-V264 PolarHBondContact O-N 3.41Å
265	Q	52.8	Low	53	Low	165 Å²	165	167.2 Å²	167.2	77%	0.771	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-61.4	134.5	173	-72	-87.1	1.4	0	0	107.9	R263 A267	R263-Q265 PolarHBondContact O-N 3.04Å; R263-Q265 VanDerWaalsContact O-N 3.13Å; Q265-A267 PolarHBondContact O-N 3.22Å; Q265-A267 VanDerWaalsContact O-N 3.11Å
266	P	54.5	Low	52.9	Low	118 Å²	118	168.7 Å²	168.7	77%	0.766	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-59.8	119.2	178.3	21.8	-29.3	0	0	0	109.6	N268	P266-N268 PolarHBondContact O-N 3.23Å
267	A	57.8	Low	52.7	Low	82 Å²	82	168.7 Å²	168.7	68%	0.678	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-59.5	130.6	173.4	0	0	0	0	0	109.2	Q265 T269	Q265-A267 PolarHBondContact O-N 3.22Å; Q265-A267 VanDerWaalsContact O-N 3.11Å; A267-T269 VanDerWaalsContact C-N 3.31Å; A267-T269 PolarHBondContact O-N 3.33Å
268	N	46.4	Very low	51.9	Low	158 Å²	158	165.7 Å²	165.7	85%	0.845	81%	0.807	S	S	*	*			trans	-67.4	88.2	-179.3	-164.8	-8.4	0	0	0	109.3	P266 Q270	P266-N268 PolarHBondContact O-N 3.23Å; N268-Q270 PolarHBondContact O-N 3.23Å
269	T	53.2	Low	51.3	Low	122 Å²	122	166.2 Å²	166.2	75%	0.748	81%	0.811	S	S	*	*			trans	-79.3	99.4	175.8	36.2	0	0	0	0	108.1	A267 R271	A267-T269 VanDerWaalsContact C-N 3.31Å; A267-T269 PolarHBondContact O-N 3.33Å; T269-R271 PolarHBondContact O-N 3.27Å
270	Q	54.2	Low	50.3	Low	184 Å²	184	166.6 Å²	166.6	86%	0.86	82%	0.816	S	S	*	*			trans	-58.6	103.2	166.1	-101.8	-178.9	-14.5	0	0	108.5	N268 R272	N268-Q270 PolarHBondContact O-N 3.23Å; Q270-R272 PolarHBondContact O-N 2.99Å
271	R	49.8	Very low	49.6	Very low	222 Å²	222	159.5 Å²	159.5	84%	0.838	80%	0.803	S	S	*	*			trans	-68.2	96.1	178.1	-157.6	178.9	112.4	-162.4	6	108.5	T269 R273	T269-R271 PolarHBondContact O-N 3.27Å; R271-R273 PolarHBondContact O-N 2.97Å
272	R	51.4	Low	48.6	Very low	239 Å²	239	157.2 Å²	157.2	90%	0.902	80%	0.802	S	S	*	*			trans	-62.5	106.7	174.5	-146.3	178.5	177.5	-147.6	-2.3	107.9	Q270 R274	Q270-R272 PolarHBondContact O-N 2.99Å; R272-R274 PolarHBondContact O-N 2.97Å; R272-R274 VanDerWaalsContact O-N 3.08Å
273	R	50.6	Low	47.4	Very low	227 Å²	227	151.4 Å²	151.4	86%	0.857	80%	0.798	S	S	*	*			trans	-63.3	107.7	174.4	-75.9	-177.9	158.6	-179.5	-6.3	107.8	R271 A275	R271-R273 PolarHBondContact O-N 2.97Å; R273-A275 PolarHBondContact O-N 3.46Å
274	R	54.2	Low	46.6	Very low	234 Å²	234	147.1 Å²	147.1	88%	0.883	79%	0.792	S	S	*	*			trans	-72.5	122.3	165.7	-68.7	-174.4	178.2	-165.1	-1.1	107	R272	R272-R274 PolarHBondContact O-N 2.97Å; R272-R274 VanDerWaalsContact O-N 3.08Å
275	A	46.6	Very low	45.2	Very low	89 Å²	89	146.7 Å²	146.7	74%	0.736	79%	0.786	S	S	*	*			trans	-70.6	127.6	171.3	0	0	0	0	0	108.1	R273 V277	R273-A275 PolarHBondContact O-N 3.46Å; A275-V277 PolarHBondContact O-N 3.03Å
276	N	47.9	Very low	44.2	Very low	152 Å²	152	150.1 Å²	150.1	81%	0.813	79%	0.793	S	S	*	*			trans	-69	108.4	174.9	-69.2	-13.6	0	0	0	107.7	S278	N276-S278 PolarHBondContact O-N 3.24Å
277	V	44.4	Very low	43.2	Very low	125 Å²	125	149.5 Å²	149.5	76%	0.758	79%	0.792	S	S	*	*			trans	-83.9	104.5	164.1	-177.7	0	0	0	0	105.8	A275 T279	A275-V277 PolarHBondContact O-N 3.03Å; V277-T279 PolarHBondContact O-N 3.17Å
278	S	36.5	Very low	41.9	Very low	104 Å²	104	155.5 Å²	155.5	73%	0.727	80%	0.802	S	S	*	*			trans	-67.7	102.6	173	-59.6	0	0	0	0	109.2	N276	N276-S278 PolarHBondContact O-N 3.24Å
279	T	41.4	Very low	41.4	Very low	126 Å²	126	155.4 Å²	155.4	77%	0.773	80%	0.8	S	S	*	*			trans	-93.7	95.3	159.4	37.1	0	0	0	0	108.3	V277	V277-T279 PolarHBondContact O-N 3.17Å
280	S	31.7	Very low	40.2	Very low	117 Å²	117	154.1 Å²	154.1	82%	0.818	80%	0.796	S	S	*	*			trans	-83.1	108.1	163.9	-56.3	0	0	0	0	107.8
281	S	39.9	Very low	39.5	Very low	93 Å²	93	150.8 Å²	150.8	65%	0.65	79%	0.793	S	S	*	*			trans	-155.9	99.1	163.3	51	0	0	0	0	110.3
282	T	34.9	Very low	38.5	Very low	133 Å²	133	147.5 Å²	147.5	82%	0.816	79%	0.792	S	S	*	*			trans	56.7	100.3	136.1	56.4	0	0	0	0	117.9
283	S	30.7	Very low	37.6	Very low	115 Å²	115	141.6 Å²	141.6	80%	0.804	79%	0.788	S	S	*	*			trans	-54.1	128.6	146.4	56	0	0	0	0	110.5
284	L	36.9	Very low	36.7	Very low	151 Å²	151	136.4 Å²	136.4	79%	0.791	78%	0.781	S	S	*	*			trans	-157.9	132.9	150.5	-145.1	83.1	0	0	0	110.6
285	D	34	Very low	35.8	Very low	124 Å²	124	134.4 Å²	134.4	66%	0.663	78%	0.782	S	S	*	*			trans	70.1	90	153.6	-61.5	-17.4	0	0	0	121.1	S287	D285-S287 PolarHBondContact O-N 3.37Å; D285-S287 VanDerWaalsContact O-N 3.12Å
286	Y	31.1	Very low	35.1	Very low	238 Å²	238	137.1 Å²	137.1	93%	0.933	78%	0.784	S	S	*	*			trans	-41.8	103.9	139.7	-75.4	-93	0	0	0	112.2
287	S	34.2	Very low	34.7	Very low	105 Å²	105	137.5 Å²	137.5	73%	0.734	79%	0.786	S	S	*	*			trans	-104.1	105.1	158.7	-2.5	0	0	0	0	108.9	D285 I289	D285-S287 PolarHBondContact O-N 3.37Å; D285-S287 VanDerWaalsContact O-N 3.12Å; S287-I289 PolarHBondContact O-N 3.45Å
288	K	29.3	Very low	34.4	Very low	207 Å²	207	136.2 Å²	136.2	90%	0.9	78%	0.783	S	S	*	*			trans	-66.9	113.6	165.2	-77	174.4	174.6	179.8	0	108.8
289	I	36.3	Very low	34.4	Very low	157 Å²	157	137.9 Å²	137.9	81%	0.805	78%	0.782	S	S	*	*			trans	-134.9	121	151.8	-54.1	177	0	0	0	108.1	S287	S287-I289 PolarHBondContact O-N 3.45Å
290	S	29	Very low	34.3	Very low	94 Å²	94	138.4 Å²	138.4	66%	0.657	78%	0.779	S	S	*	*			trans	-81	129.4	176.8	141.3	0	0	0	0	109.5
291	S	38.6	Very low	34.6	Very low	114 Å²	114	140.7 Å²	140.7	80%	0.797	78%	0.776	S	S	*	*			trans	-146.1	108.2	155.2	-61.8	0	0	0	0	108.9
292	N	28.9	Very low	34.6	Very low	153 Å²	153	144.1 Å²	144.1	82%	0.818	78%	0.782	S	S	*	*			trans	-71.4	131.4	168.8	-61.4	-43.2	0	0	0	109
293	S	33.5	Very low	34.9	Very low	115 Å²	115	143.1 Å²	143.1	80%	0.804	78%	0.778	S	S	*	*			trans	-137.4	95.5	150.6	64.5	0	0	0	0	108.3	E295	S293-E295 PolarHBondContact O-N 3.45Å
294	T	29.8	Very low	35.6	Very low	118 Å²	118	142.3 Å²	142.3	72%	0.724	77%	0.772	S	S	*	*			trans	-57.7	111	158.5	35.6	0	0	0	0	109.9
295	E	35.7	Very low	35.8	Very low	192 Å²	192	141.3 Å²	141.3	90%	0.897	77%	0.772	S	S	*	*			trans	-128.1	115.9	147.3	-81.2	-173.8	166	0	0	108.3	S293	S293-E295 PolarHBondContact O-N 3.45Å
296	N	32.9	Very low	36.4	Very low	147 Å²	147	141.7 Å²	141.7	79%	0.786	77%	0.773	S	S	*	*			trans	-73.7	119	-177.1	-57.7	-76.3	0	0	0	107.9
297	D	38.8	Very low	37.2	Very low	160 Å²	160	141.3 Å²	141.3	86%	0.856	77%	0.77	S	S	*	*			trans	-116.7	112.7	153.6	-100	-26.6	0	0	0	110	I299	D297-I299 PolarHBondContact O-N 2.85Å
298	S	37.3	Very low	38	Very low	97 Å²	97	145.7 Å²	145.7	68%	0.678	78%	0.776	S	S	*	*			trans	-44.7	123.2	-172	50.4	0	0	0	0	114.8	I300	S298-I300 PolarHBondContact O-N 2.86Å
299	I	37.6	Very low	38.9	Very low	140 Å²	140	144.9 Å²	144.9	72%	0.718	77%	0.772	S	S	*	*			trans	-68.7	93.4	164.6	-58.7	168	0	0	0	107.3	D297 H301	D297-I299 PolarHBondContact O-N 2.85Å; I299-H301 VanDerWaalsContact C-N 3.27Å; I299-H301 VanDerWaalsContact CG2-CD2 3.4Å; I299-H301 WeakPolarHBondContact CG2-CD2 3Å; I299-H301 PolarHBondContact O-N 3.06Å
300	I	38.7	Very low	39.4	Very low	136 Å²	136	143 Å²	143	70%	0.697	77%	0.77	S	S	*	*			trans	-75.4	91.4	162.1	-61.2	180	0	0	0	106.9	S298 Q302	S298-I300 PolarHBondContact O-N 2.86Å; I300-Q302 VanDerWaalsContact C-N 3.33Å; I300-Q302 HydrophobicContact CG2-CG 4.15Å; I300-Q302 PolarHBondContact O-N 3.4Å
301	H	39.1	Very low	40.4	Very low	165 Å²	165	149.6 Å²	149.6	76%	0.764	78%	0.78	S	S	*	*			trans	-60.7	91.8	165.2	-92.6	-77.4	0	0	0	109.2	I299 P303	I299-H301 VanDerWaalsContact C-N 3.27Å; I299-H301 VanDerWaalsContact CG2-CD2 3.4Å; I299-H301 WeakPolarHBondContact CG2-CD2 3Å; I299-H301 PolarHBondContact O-N 3.06Å; H301-P303 VanDerWaalsContact O-CD 3.28Å; H301-P303 WeakPolarHBondContact O-CD 3.4Å
302	Q	38.7	Very low	40.8	Very low	165 Å²	165	149.8 Å²	149.8	77%	0.771	78%	0.777	S	S	*	*			trans	-84.5	113.7	158	-72.5	-152.6	-3.1	0	0	108.8	I300 S304	I300-Q302 VanDerWaalsContact C-N 3.33Å; I300-Q302 HydrophobicContact CG2-CG 4.15Å; I300-Q302 PolarHBondContact O-N 3.4Å; Q302-S304 PolarHBondContact O-N 3.03Å
303	P	42.5	Very low	41.9	Very low	113 Å²	113	150.6 Å²	150.6	73%	0.734	78%	0.776	S	S	*	*			trans	-70	96.8	171.3	28.3	-31.5	0	0	0	108	H301 T305	H301-P303 VanDerWaalsContact O-CD 3.28Å; H301-P303 WeakPolarHBondContact O-CD 3.4Å; P303-T305 VanDerWaalsContact C-N 3.3Å; P303-T305 PolarHBondContact O-N 3.03Å
304	S	44.1	Very low	42.8	Very low	98 Å²	98	150.3 Å²	150.3	69%	0.685	76%	0.764	S	S	*	*			trans	-63.9	96.6	168.4	60.6	0	0	0	0	108.3	Q302 I306	Q302-S304 PolarHBondContact O-N 3.03Å; S304-I306 PolarHBondContact O-N 2.92Å
305	T	40.8	Very low	43.7	Very low	130 Å²	130	150.2 Å²	150.2	80%	0.798	76%	0.763	S	S	*	*			trans	-73.5	64.6	169	29.6	0	0	0	0	108.3	P303 R307	P303-T305 VanDerWaalsContact C-N 3.3Å; P303-T305 PolarHBondContact O-N 3.03Å; T305-R307 PolarHBondContact O-N 3.22Å
306	I	47.9	Very low	44.3	Very low	132 Å²	132	148.9 Å²	148.9	68%	0.677	75%	0.751	S	S	*	*			trans	-70.2	90.8	164	-59.7	172.9	0	0	0	105.1	S304 K308	S304-I306 PolarHBondContact O-N 2.92Å; I306-K308 PolarHBondContact O-N 3.45Å
307	R	48.3	Very low	45.2	Very low	230 Å²	230	147.3 Å²	147.3	87%	0.868	74%	0.743	S	S	*	*			trans	-53.7	94.7	165.2	-76	178.8	145.1	-165.3	-6.2	107.1	T305 K309	T305-R307 PolarHBondContact O-N 3.22Å; R307-K309 PolarHBondContact O-N 3.18Å
308	K	51	Low	46.1	Very low	196 Å²	196	143 Å²	143	85%	0.852	72%	0.724	S	S	*	*			trans	-60.2	105.5	172.4	-70	-177.5	-179.3	175.8	0	106.1	I306	I306-K308 PolarHBondContact O-N 3.45Å
309	K	48.3	Very low	47.2	Very low	191 Å²	191	144.9 Å²	144.9	83%	0.83	72%	0.723	S	S	*	*			trans	-54.7	134.5	171.8	-73.8	-174.4	177.8	-178.9	0	107.6	R307 R311	R307-K309 PolarHBondContact O-N 3.18Å; K309-R311 PolarHBondContact O-N 3.33Å; K309-R311 VanDerWaalsContact O-N 3.15Å
310	P	46.9	Very low	48.2	Very low	116 Å²	116	144.4 Å²	144.4	75%	0.753	72%	0.722	S	S	*	*			trans	-55.9	125	179.2	21.4	-30.9	0	0	0	108.5	V312	P310-V312 VanDerWaalsContact C-N 3.33Å; P310-V312 PolarHBondContact O-N 3.34Å
311	R	49.5	Very low	49.2	Very low	233 Å²	233	139.9 Å²	139.9	88%	0.879	70%	0.698	S	S	*	*			trans	-67.7	96.8	176.8	-164.7	178.5	-176.3	179.8	1.4	106.3	K309 Q313	K309-R311 PolarHBondContact O-N 3.33Å; K309-R311 VanDerWaalsContact O-N 3.15Å; R311-Q313 PolarHBondContact O-N 3.41Å
312	V	47.2	Very low	50.7	Low	119 Å²	119	136.4 Å²	136.4	72%	0.721	69%	0.69	S	S	*	*			trans	-57.7	104.7	175.7	179.4	0	0	0	0	106.9	P310 I314	P310-V312 VanDerWaalsContact C-N 3.33Å; P310-V312 PolarHBondContact O-N 3.34Å; V312-I314 VanDerWaalsContact C-N 3.29Å; V312-I314 HydrophobicContact CG1-CG1 4.1Å; V312-I314 PolarHBondContact O-N 3.36Å
313	Q	51.8	Low	52.3	Low	170 Å²	170	135 Å²	135	79%	0.794	69%	0.686	S	S	*	*			trans	-72.8	95.3	168.9	-71.1	-172.7	9.6	0	0	105.9	R311 V315	R311-Q313 PolarHBondContact O-N 3.41Å; Q313-V315 VanDerWaalsContact C-N 3.26Å; Q313-V315 PolarHBondContact O-N 3.24Å
314	I	51.3	Low	53.4	Low	109 Å²	109	132.9 Å²	132.9	56%	0.559	68%	0.678	S	S	*	*			trans	-66.6	98.3	166.3	-58.2	173.9	0	0	0	105.1	V312 Y316	V312-I314 VanDerWaalsContact C-N 3.29Å; V312-I314 HydrophobicContact CG1-CG1 4.1Å; V312-I314 PolarHBondContact O-N 3.36Å; I314-Y316 HydrophobicContact CB-CD2 4.36Å; I314-Y316 HydrophobicContact CB-CE2 3.96Å; I314-Y316 HydrophobicContact CG2-CD1 4.33Å; I314-Y316 HydrophobicContact CG2-CD2 3.92Å; I314-Y316 HydrophobicContact CG2-CE1 4.06Å; I314-Y316 HydrophobicContact CG2-CE2 3.63Å; I314-Y316 HydrophobicContact CG2-CG 4.27Å; I314-Y316 WeakPolarHBondContact O-CD2 3.32Å; I314-Y316 PolarHBondContact O-N 3.21Å
315	V	49.8	Very low	54.5	Low	116 Å²	116	129.4 Å²	129.4	70%	0.703	66%	0.656	S	S	*	*			trans	-70.2	91.2	169.6	-179.8	0	0	0	0	105.4	Q313 N317	Q313-V315 VanDerWaalsContact C-N 3.26Å; Q313-V315 PolarHBondContact O-N 3.24Å; V315-N317 PolarHBondContact O-N 3.05Å
316	Y	47.3	Very low	55.6	Low	163 Å²	163	126.8 Å²	126.8	64%	0.639	63%	0.631	S	S	*	*			trans	-63.6	119.4	167.9	-71.7	-83.9	0	0	0	107.4	I314 S318	I314-Y316 HydrophobicContact CB-CD2 4.36Å; I314-Y316 HydrophobicContact CB-CE2 3.96Å; I314-Y316 HydrophobicContact CG2-CD1 4.33Å; I314-Y316 HydrophobicContact CG2-CD2 3.92Å; I314-Y316 HydrophobicContact CG2-CE1 4.06Å; I314-Y316 HydrophobicContact CG2-CE2 3.63Å; I314-Y316 HydrophobicContact CG2-CG 4.27Å; I314-Y316 WeakPolarHBondContact O-CD2 3.32Å; I314-Y316 PolarHBondContact O-N 3.21Å; Y316-S318 PolarHBondContact O-N 2.82Å
317	N	51.6	Low	56.4	Low	115 Å²	115	125 Å²	125	62%	0.615	62%	0.623	S	S	*	*			trans	-54.2	127.4	163.4	-69.5	-28.6	0	0	0	107	V315 E319 D320	V315-N317 PolarHBondContact O-N 3.05Å; N317-E319 PolarHBondContact O-N 3.12Å; N317-D320 PolarHBondContact O-N 2.92Å
318	S	58.2	Low	57.2	Low	68 Å²	68	123.5 Å²	123.5	48%	0.476	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.4	-7.1	-172.1	45.3	0	0	0	0	114.9	Y316 R326	Y316-S318 PolarHBondContact O-N 2.82Å; S318-R326 WeakPolarHBondContact O-CD 3.4Å; S318-R326 PolarHBondContact O-NE 3.14Å; S318-R326 VanDerWaalsContact O-NE 3.13Å; S318-R326 PolarHBondContact O-NH1 2.9Å
319	E	61.1	Low	57.8	Low	137 Å²	137	122.1 Å²	122.1	64%	0.64	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-30.6	177.1	-64.5	-63.5	113.1	0	0	112.4	N317 R326	N317-E319 PolarHBondContact O-N 3.12Å; E319-R326 IonicContact OE1-CZ 3.45Å; E319-R326 IonicContact OE1-NH1 2.85Å; E319-R326 PolarHBondContact OE1-NH1 3.1Å; E319-R326 IonicContact OE1-NH2 3.71Å; E319-R326 PolarHBondContact OE1-NH2 2.96Å
320	D	57.6	Low	58.3	Low	131 Å²	131	121.4 Å²	121.4	70%	0.701	60%	0.598	S	S	*	*	S	Bend	trans	-89.2	-1.5	-178.8	-65.3	-37	0	0	0	113.5	N317	N317-D320 PolarHBondContact O-N 2.92Å
321	E	61.6	Low	58.7	Low	41 Å²	41	121.9 Å²	121.9	19%	0.192	60%	0.595	C	S	.	*	S	Bend	trans	-81.7	131.5	179.7	-170.1	179.1	-170.8	0	0	110.7	I323 A325 R326 R329	E321-I323 PolarHBondContact O-N 3.01Å; E321-A325 HydrophobicContact CG-CB 3.78Å; E321-A325 WeakPolarHBondContact OE1-CB 3.44Å; E321-R326 HydrophobicContact CB-CG 4.27Å; E321-R326 HydrophobicContact CG-CG 4.46Å; E321-R329 IonicContact OE2-NH1 3.17Å
322	P	69.2	Low	58.9	Low	92 Å²	92	115.6 Å²	115.6	60%	0.597	58%	0.582	S	S	*	*			trans	-57	137.5	177.1	20.6	-31.5	0	0	0	111.3	A324 A325 R326	P322-A324 PolarHBondContact O-N 3.38Å; P322-A325 HydrophobicContact CG-CB 4.44Å; P322-A325 PolarHBondContact O-N 2.86Å; P322-R326 PolarHBondContact O-N 3.44Å
323	I	72.4	Confident	59	Low	134 Å²	134	120.9 Å²	120.9	69%	0.687	59%	0.589	S	S	*	*	H	α-helix	trans	-46.2	-38	-175.8	-65.9	167.6	0	0	0	112.7	E321 A325 R326 L327	E321-I323 PolarHBondContact O-N 3.01Å; I323-A325 VanDerWaalsContact C-N 3.3Å; I323-A325 PolarHBondContact O-N 3.41Å; I323-R326 PolarHBondContact O-N 2.91Å; I323-L327 HydrophobicContact CG2-CD1 3.81Å; I323-L327 PolarHBondContact O-N 2.9Å
324	A	66.7	Low	58.8	Low	69 Å²	69	119 Å²	119	57%	0.57	59%	0.589	S	S	*	*	H	α-helix	trans	-59.9	-35.8	178.5	0	0	0	0	0	113.8	P322 R328	P322-A324 PolarHBondContact O-N 3.38Å; A324-R328 PolarHBondContact O-N 2.91Å
325	A	65.5	Low	58.4	Low	26 Å²	26	117.8 Å²	117.8	22%	0.215	59%	0.59	C	S	.	*	H	α-helix	trans	-81.7	-35.3	179.6	0	0	0	0	0	111.7	E321 P322 I323 L327 R328 R329	E321-A325 HydrophobicContact CG-CB 3.78Å; E321-A325 WeakPolarHBondContact OE1-CB 3.44Å; P322-A325 HydrophobicContact CG-CB 4.44Å; P322-A325 PolarHBondContact O-N 2.86Å; I323-A325 VanDerWaalsContact C-N 3.3Å; I323-A325 PolarHBondContact O-N 3.41Å; A325-L327 VanDerWaalsContact C-N 3.32Å; A325-L327 PolarHBondContact O-N 3.15Å; A325-R328 PolarHBondContact O-N 2.93Å; A325-R329 PolarHBondContact O-N 2.77Å
326	R	65.2	Low	57.9	Low	74 Å²	74	122.9 Å²	122.9	28%	0.279	60%	0.598	S	S	.	*	H	α-helix	trans	-57.5	-42.6	167.7	-71	176.9	92.9	165.2	9	111.8	S318 E319 E321 P322 I323 R329 R330	S318-R326 WeakPolarHBondContact O-CD 3.4Å; S318-R326 PolarHBondContact O-NE 3.14Å; S318-R326 VanDerWaalsContact O-NE 3.13Å; S318-R326 PolarHBondContact O-NH1 2.9Å; E319-R326 IonicContact OE1-CZ 3.45Å; E319-R326 IonicContact OE1-NH1 2.85Å; E319-R326 PolarHBondContact OE1-NH1 3.1Å; E319-R326 IonicContact OE1-NH2 3.71Å; E319-R326 PolarHBondContact OE1-NH2 2.96Å; E321-R326 HydrophobicContact CB-CG 4.27Å; E321-R326 HydrophobicContact CG-CG 4.46Å; P322-R326 PolarHBondContact O-N 3.44Å; I323-R326 PolarHBondContact O-N 2.91Å; R326-R329 PolarHBondContact O-N 2.97Å; R326-R330 PolarHBondContact O-N 3.12Å; R326-R330 VanDerWaalsContact O-N 3.07Å
327	L	63.8	Low	57.8	Low	96 Å²	96	122 Å²	122	50%	0.503	61%	0.61	S	S	.	*	H	α-helix	trans	-63.7	-40.7	176.7	-98.3	144.9	0	0	0	113	I323 A325 R329 R330 N331	I323-L327 HydrophobicContact CG2-CD1 3.81Å; I323-L327 PolarHBondContact O-N 2.9Å; A325-L327 VanDerWaalsContact C-N 3.32Å; A325-L327 PolarHBondContact O-N 3.15Å; L327-R329 VanDerWaalsContact C-N 3.3Å; L327-R329 PolarHBondContact O-N 3.34Å; L327-R330 PolarHBondContact O-N 2.94Å; L327-N331 PolarHBondContact O-N 3.03Å
328	R	65.9	Low	57.4	Low	197 Å²	197	119 Å²	119	74%	0.743	61%	0.606	S	S	*	*	H	α-helix	trans	-60.6	-38.6	175.8	-80.1	-178.3	-178.9	156	0.7	112.4	A324 A325	A324-R328 PolarHBondContact O-N 2.91Å; A325-R328 PolarHBondContact O-N 2.93Å
329	R	63.1	Low	56.6	Low	167 Å²	167	121.9 Å²	121.9	63%	0.63	62%	0.621	S	S	*	*	H	α-helix	trans	-73.6	-36.1	177.3	-72.8	-176.5	170.9	176.5	-4	113.4	E321 A325 R326 L327 N331 T332 R333	E321-R329 IonicContact OE2-NH1 3.17Å; A325-R329 PolarHBondContact O-N 2.77Å; R326-R329 PolarHBondContact O-N 2.97Å; L327-R329 VanDerWaalsContact C-N 3.3Å; L327-R329 PolarHBondContact O-N 3.34Å; R329-N331 PolarHBondContact O-N 2.84Å; R329-T332 PolarHBondContact O-N 2.9Å; R329-T332 PolarHBondContact O-OG1 2.97Å; R329-R333 PolarHBondContact O-N 2.84Å
330	R	58.8	Low	55.8	Low	176 Å²	176	125.1 Å²	125.1	66%	0.664	63%	0.633	S	S	*	*	H	α-helix	trans	-61.6	-35.2	178.3	-79	-174.3	-178.5	166.2	1.4	112.2	R326 L327 T332	R326-R330 PolarHBondContact O-N 3.12Å; R326-R330 VanDerWaalsContact O-N 3.07Å; L327-R330 PolarHBondContact O-N 2.94Å; R330-T332 VanDerWaalsContact C-N 3.33Å; R330-T332 PolarHBondContact O-N 2.95Å
331	N	54.6	Low	54.9	Low	127 Å²	127	124.6 Å²	124.6	68%	0.679	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-17.2	180	-71.9	-0.1	0	0	0	114.2	L327 R329	L327-N331 PolarHBondContact O-N 3.03Å; R329-N331 PolarHBondContact O-N 2.84Å
332	T	53.6	Low	54	Low	100 Å²	100	128.3 Å²	128.3	61%	0.613	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-15.7	177.3	58.1	0	0	0	0	113.4	R329 R330 V334 S335	R329-T332 PolarHBondContact O-N 2.9Å; R329-T332 PolarHBondContact O-OG1 2.97Å; R330-T332 VanDerWaalsContact C-N 3.33Å; R330-T332 PolarHBondContact O-N 2.95Å; T332-V334 VanDerWaalsContact C-N 3.27Å; T332-V334 PolarHBondContact O-N 2.84Å; T332-S335 PolarHBondContact O-OG 2.93Å
333	R	49.5	Very low	52.5	Low	230 Å²	230	136 Å²	136	87%	0.868	69%	0.694	S	S	*	*	S	Bend	trans	-81.1	-2.6	179.6	-149.7	-179.2	-176.8	-149.1	0.9	114	R329 S335	R329-R333 PolarHBondContact O-N 2.84Å; R333-S335 PolarHBondContact O-N 2.83Å; R333-S335 VanDerWaalsContact O-N 3.09Å
334	V	47.1	Very low	51.5	Low	132 Å²	132	136.1 Å²	136.1	80%	0.8	69%	0.694	S	S	*	*			trans	-86.7	62.6	169.9	-165.8	0	0	0	0	108.7	T332	T332-V334 VanDerWaalsContact C-N 3.27Å; T332-V334 PolarHBondContact O-N 2.84Å
335	S	43	Very low	50.7	Low	82 Å²	82	139.6 Å²	139.6	57%	0.573	70%	0.701	S	S	*	*			trans	-133.8	112.1	177.4	-53	0	0	0	0	108.6	T332 R333	T332-S335 PolarHBondContact O-OG 2.93Å; R333-S335 PolarHBondContact O-N 2.83Å; R333-S335 VanDerWaalsContact O-N 3.09Å
336	Y	40.7	Very low	49.9	Very low	223 Å²	223	145.9 Å²	145.9	88%	0.875	73%	0.728	S	S	*	*			trans	58.7	74.3	162.7	-68.5	-92.1	0	0	0	117.7	G338	Y336-G338 PolarHBondContact O-N 3.4Å
337	T	45.7	Very low	49	Very low	144 Å²	144	150.2 Å²	150.2	88%	0.883	75%	0.754	S	S	*	*			trans	-78	82.6	135	54	0	0	0	0	106.7	T339	T337-T339 PolarHBondContact O-N 3.47Å
338	G	41.5	Very low	48.1	Very low	53 Å²	53	153.6 Å²	153.6	55%	0.546	77%	0.77	S	S	.	*			trans	-56.8	123.2	167.7	0	0	0	0	0	108.1	Y336 K340	Y336-G338 PolarHBondContact O-N 3.4Å; G338-K340 PolarHBondContact O-N 2.94Å
339	T	41.1	Very low	46.9	Very low	129 Å²	129	150.7 Å²	150.7	79%	0.791	77%	0.771	S	S	*	*			trans	-55.4	108.6	170.4	37.3	0	0	0	0	108.1	T337 T341	T337-T339 PolarHBondContact O-N 3.47Å; T339-T341 VanDerWaalsContact C-N 3.33Å; T339-T341 PolarHBondContact O-N 3.02Å
340	K	44.4	Very low	45.8	Very low	205 Å²	205	149.5 Å²	149.5	89%	0.891	78%	0.781	S	S	*	*			trans	-66.8	99.6	162	-78.5	-174.7	175.3	-176.9	0	106.6	G338 P342	G338-K340 PolarHBondContact O-N 2.94Å; K340-P342 WeakPolarHBondContact O-CD 3.28Å
341	T	39.8	Very low	44.7	Very low	120 Å²	120	147.5 Å²	147.5	74%	0.736	79%	0.79	S	S	*	*			trans	-63.9	122.5	166.6	-20.7	0	0	0	0	107.4	T339 M343	T339-T341 VanDerWaalsContact C-N 3.33Å; T339-T341 PolarHBondContact O-N 3.02Å; T341-M343 PolarHBondContact O-N 3.02Å
342	P	41.9	Very low	43.9	Very low	119 Å²	119	149.2 Å²	149.2	77%	0.773	80%	0.8	S	S	*	*			trans	-67.3	125.9	169.9	27.4	-30.7	0	0	0	108.5	K340	K340-P342 WeakPolarHBondContact O-CD 3.28Å
343	M	38.8	Very low	43	Very low	253 Å²	253	153.6 Å²	153.6	100%	1.246	82%	0.817	S	S	*	*			trans	-112.6	0	160.4	-90.4	-86.2	145.2	0	0	107	T341	T341-M343 PolarHBondContact O-N 3.02Å

Retrieved 343 of 343 residues in 365.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).