A0A3Q0KNP8_SCHMA Loading...

SH2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KNP8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 540 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	39.6	Very low	37.8	Very low	247 Å²	247	146.9 Å²	146.9	100%	1.217	85%	0.846	S	S	*	*				0	107.3	0	-79.1	-178	147	0	0	107.6	G3	M1-G3 PolarHBondContact O-N 2.93Å
2	A	38.1	Very low	37.3	Very low	102 Å²	102	154 Å²	154	84%	0.843	85%	0.848	S	S	*	*			trans	-72.1	114.9	177.7	0	0	0	0	0	108.7
3	G	36.9	Very low	37	Very low	69 Å²	69	151.2 Å²	151.2	71%	0.711	84%	0.842	S	S	*	*			trans	-109.4	86.9	172.3	0	0	0	0	0	108.6	M1 R5	M1-G3 PolarHBondContact O-N 2.93Å; G3-R5 VanDerWaalsContact C-N 3.34Å; G3-R5 PolarHBondContact O-N 3.37Å
4	D	40.2	Very low	36.6	Very low	155 Å²	155	154.1 Å²	154.1	83%	0.829	85%	0.845	S	S	*	*			trans	-64.1	93.7	170.6	-82.4	-31.3	0	0	0	109.2	V6	D4-V6 PolarHBondContact O-N 3.08Å; D4-V6 VanDerWaalsContact O-N 3.12Å
5	R	39	Very low	36.6	Very low	238 Å²	238	155 Å²	155	90%	0.898	85%	0.847	S	S	*	*			trans	-77.7	94.6	167.2	-78.9	-174.1	178.7	-171.3	0.3	108	G3 L7	G3-R5 VanDerWaalsContact C-N 3.34Å; G3-R5 PolarHBondContact O-N 3.37Å; R5-L7 PolarHBondContact O-N 3.12Å; R5-L7 VanDerWaalsContact O-N 3.08Å
6	V	38.3	Very low	36.5	Very low	132 Å²	132	151.9 Å²	151.9	80%	0.8	84%	0.841	S	S	*	*			trans	-49.7	111.2	170.3	178.5	0	0	0	0	109.4	D4 G8	D4-V6 PolarHBondContact O-N 3.08Å; D4-V6 VanDerWaalsContact O-N 3.12Å; V6-G8 PolarHBondContact O-N 3.07Å
7	L	44.1	Very low	36.2	Very low	165 Å²	165	154.1 Å²	154.1	86%	0.864	84%	0.842	S	S	*	*			trans	-60.4	107.9	170.6	-76	160.3	0	0	0	108.3	R5 K9	R5-L7 PolarHBondContact O-N 3.12Å; R5-L7 VanDerWaalsContact O-N 3.08Å; L7-K9 PolarHBondContact O-N 3.26Å
8	G	33.8	Very low	36	Very low	71 Å²	71	151.5 Å²	151.5	73%	0.732	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-56	122.1	-178.8	0	0	0	0	0	111.3	V6	V6-G8 PolarHBondContact O-N 3.07Å
9	K	32.7	Very low	35.9	Very low	199 Å²	199	150.2 Å²	150.2	87%	0.865	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-64.1	136.1	168.7	-77.5	177.1	176.8	174.8	0	108.9	L7	L7-K9 PolarHBondContact O-N 3.26Å
10	P	36.4	Very low	35.8	Very low	113 Å²	113	147.9 Å²	147.9	73%	0.734	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-64.2	154	-178.7	24.6	-32.4	0	0	0	112	R12	P10-R12 PolarHBondContact O-N 3.36Å
11	P	36.8	Very low	35.7	Very low	125 Å²	125	145.8 Å²	145.8	81%	0.812	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-62.2	133.5	-173.4	-15.8	28.7	0	0	0	111.4
12	R	31.1	Very low	35.6	Very low	232 Å²	232	137 Å²	137	88%	0.875	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-63.5	137.6	173.6	-86.3	-174.4	-179.5	-160.7	-0.2	110	P10 H14	P10-R12 PolarHBondContact O-N 3.36Å; R12-H14 PolarHBondContact O-N 3.46Å
13	P	33.4	Very low	35.6	Very low	118 Å²	118	136.5 Å²	136.5	77%	0.766	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-58.7	130.5	171.9	-18.7	30.6	0	0	0	110.1	L15	P13-L15 PolarHBondContact O-N 3Å; P13-L15 VanDerWaalsContact O-N 3.08Å
14	H	32.6	Very low	35.5	Very low	191 Å²	191	139 Å²	139	88%	0.884	78%	0.78	S	S	*	*			trans	-61.2	111.1	170.4	-73.8	-87.9	0	0	0	108.7	R12 S16	R12-H14 PolarHBondContact O-N 3.46Å; H14-S16 PolarHBondContact O-N 3.08Å
15	L	36.3	Very low	35.5	Very low	168 Å²	168	136.1 Å²	136.1	88%	0.88	77%	0.772	S	S	*	*			trans	-65.4	101.8	166.6	-77.2	161.1	0	0	0	107	P13 H17	P13-L15 PolarHBondContact O-N 3Å; P13-L15 VanDerWaalsContact O-N 3.08Å; L15-H17 PolarHBondContact O-N 3.09Å
16	S	34.3	Very low	35.8	Very low	106 Å²	106	127.7 Å²	127.7	74%	0.741	75%	0.749	S	S	*	*			trans	-53.9	128.2	170.6	51.6	0	0	0	0	109.1	H14 S18	H14-S16 PolarHBondContact O-N 3.08Å; S16-S18 PolarHBondContact O-N 3.33Å; S16-S18 VanDerWaalsContact O-N 3.09Å
17	H	32.5	Very low	36.2	Very low	188 Å²	188	126.4 Å²	126.4	87%	0.87	74%	0.737	S	S	*	*			trans	-47.7	112.5	179	-64	-68.2	0	0	0	111.8	L15	L15-H17 PolarHBondContact O-N 3.09Å
18	S	31.9	Very low	36	Very low	108 Å²	108	128.4 Å²	128.4	76%	0.755	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-58.8	137.2	161.2	-60.6	0	0	0	0	108.5	S16 S20	S16-S18 PolarHBondContact O-N 3.33Å; S16-S18 VanDerWaalsContact O-N 3.09Å; S18-S20 PolarHBondContact O-N 3.03Å
19	P	33.2	Very low	36.7	Very low	127 Å²	127	134.2 Å²	134.2	83%	0.825	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-58.2	127.1	-176.4	20.8	-29.7	0	0	0	110.3	S21	P19-S21 PolarHBondContact O-N 3.36Å
20	S	33.8	Very low	37.4	Very low	104 Å²	104	130.6 Å²	130.6	73%	0.727	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-52.1	129.7	-179.2	-173	0	0	0	0	110.9	S18 A22	S18-S20 PolarHBondContact O-N 3.03Å; S20-A22 PolarHBondContact O-N 3.2Å
21	S	35.6	Very low	37.9	Very low	103 Å²	103	131.8 Å²	131.8	72%	0.72	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	21.2	178.5	-47.4	0	0	0	0	115.2	P19 S23	P19-S21 PolarHBondContact O-N 3.36Å; S21-S23 VanDerWaalsContact C-N 3.25Å; S21-S23 PolarHBondContact O-N 3.48Å
22	A	35.8	Very low	38.2	Very low	64 Å²	64	134 Å²	134	53%	0.529	71%	0.708	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.1	-16.2	-176.3	0	0	0	0	0	113.7	S20	S20-A22 PolarHBondContact O-N 3.2Å
23	S	38.5	Very low	39.1	Very low	90 Å²	90	127.8 Å²	127.8	63%	0.629	69%	0.692	S	S	*	*	H	α-helix	trans	-75.4	-27.3	179.2	65.3	0	0	0	0	113.6	S21	S21-S23 VanDerWaalsContact C-N 3.25Å; S21-S23 PolarHBondContact O-N 3.48Å
24	N	35.8	Very low	39.7	Very low	122 Å²	122	129.1 Å²	129.1	65%	0.652	68%	0.683	S	S	*	*	H	α-helix	trans	-80.5	-20.1	-176.7	-97.8	-4.1	0	0	0	114.3	S26	N24-S26 VanDerWaalsContact C-N 3.35Å
25	C	40.1	Very low	40.2	Very low	95 Å²	95	125.4 Å²	125.4	64%	0.642	67%	0.669	S	S	*	*	H	α-helix	trans	-74.5	-28.2	175.5	-74.1	0	0	0	0	112.5	R29	C25-R29 PolarHBondContact O-N 3.37Å
26	S	45.5	Very low	40.9	Very low	60 Å²	60	120.3 Å²	120.3	42%	0.42	65%	0.645	S	S	.	*	H	α-helix	trans	-68.1	-45.2	179.1	-55.7	0	0	0	0	111.2	N24 R28 R29 H30	N24-S26 VanDerWaalsContact C-N 3.35Å; S26-R28 PolarHBondContact O-N 3.24Å; S26-R29 PolarHBondContact O-N 3.31Å; S26-R29 VanDerWaalsContact O-N 3.17Å; S26-H30 PolarHBondContact O-CD2 3.33Å; S26-H30 PolarHBondContact O-N 3.34Å
27	D	45	Very low	41.6	Very low	105 Å²	105	119.1 Å²	119.1	56%	0.561	64%	0.637	S	S	*	*	H	α-helix	trans	-63.3	-40	-178.2	-86.9	-21.6	0	0	0	113.2	R29 H30 Q31	D27-R29 PolarHBondContact O-N 2.91Å; D27-H30 PolarHBondContact O-N 3.3Å; D27-Q31 PolarHBondContact O-N 2.76Å
28	R	40.6	Very low	42.4	Very low	208 Å²	208	115.1 Å²	115.1	79%	0.785	62%	0.617	S	S	*	*	H	α-helix	trans	-64.1	-39.8	174.3	-92.7	-169	-171.6	-171.8	3.5	112.6	S26 H30 Q31 Y32	S26-R28 PolarHBondContact O-N 3.24Å; R28-H30 VanDerWaalsContact C-N 3.34Å; R28-Q31 PolarHBondContact O-N 3.42Å; R28-Y32 PolarHBondContact O-N 2.92Å
29	R	47.8	Very low	43.1	Very low	192 Å²	192	115.2 Å²	115.2	73%	0.725	61%	0.609	S	S	*	*	H	α-helix	trans	-65.6	-38.4	176.2	-103.6	-176.4	-174.2	174.2	3.2	111.8	C25 S26 D27 Y32 N33	C25-R29 PolarHBondContact O-N 3.37Å; S26-R29 PolarHBondContact O-N 3.31Å; S26-R29 VanDerWaalsContact O-N 3.17Å; D27-R29 PolarHBondContact O-N 2.91Å; R29-Y32 PolarHBondContact O-N 3.29Å; R29-N33 WeakPolarHBondContact O-CB 3.37Å; R29-N33 VanDerWaalsContact O-CG 3.28Å; R29-N33 PolarHBondContact O-N 3.07Å; R29-N33 PolarHBondContact O-ND2 3.02Å
30	H	49.4	Very low	43.7	Very low	124 Å²	124	113.9 Å²	113.9	57%	0.574	60%	0.595	S	S	*	*	H	α-helix	trans	-65.5	-41.2	176.6	-70.1	-57.5	0	0	0	112.2	S26 D27 R28 Y34	S26-H30 PolarHBondContact O-CD2 3.33Å; S26-H30 PolarHBondContact O-N 3.34Å; D27-H30 PolarHBondContact O-N 3.3Å; R28-H30 VanDerWaalsContact C-N 3.34Å; H30-Y34 WeakPolarHBondContact O-CB 3.1Å; H30-Y34 PolarHBondContact O-N 2.99Å
31	Q	45.6	Very low	44.2	Very low	137 Å²	137	114.1 Å²	114.1	64%	0.64	58%	0.584	S	S	*	*	H	α-helix	trans	-64.1	-43.7	174.7	-75.5	-170.7	-7.1	0	0	112.7	D27 R28 Y34 L35	D27-Q31 PolarHBondContact O-N 2.76Å; R28-Q31 PolarHBondContact O-N 3.42Å; Q31-Y34 PolarHBondContact O-N 3.36Å; Q31-L35 WeakPolarHBondContact O-CG 3.07Å; Q31-L35 PolarHBondContact O-N 2.9Å
32	Y	42.6	Very low	44.5	Very low	172 Å²	172	114 Å²	114	68%	0.675	57%	0.574	S	S	*	*	H	α-helix	trans	-65.9	-41.1	-179.7	-148.2	-87.8	0	0	0	112.1	R28 R29 L35 T36	R28-Y32 PolarHBondContact O-N 2.92Å; R29-Y32 PolarHBondContact O-N 3.29Å; Y32-L35 PolarHBondContact O-N 2.76Å; Y32-T36 WeakPolarHBondContact O-CB 3.16Å; Y32-T36 PolarHBondContact O-N 3.01Å; Y32-T36 PolarHBondContact O-OG1 3.48Å
33	N	50.1	Low	44.9	Very low	101 Å²	101	114.5 Å²	114.5	54%	0.54	57%	0.571	S	S	.	*	H	α-helix	trans	-66.1	-38.4	175.4	-73.7	-16.5	0	0	0	111.9	R29 T36 S37	R29-N33 WeakPolarHBondContact O-CB 3.37Å; R29-N33 VanDerWaalsContact O-CG 3.28Å; R29-N33 PolarHBondContact O-N 3.07Å; R29-N33 PolarHBondContact O-ND2 3.02Å; N33-T36 PolarHBondContact O-N 2.96Å; N33-S37 WeakPolarHBondContact O-CB 3.48Å; N33-S37 PolarHBondContact O-N 3.42Å
34	Y	46.3	Very low	45	Very low	147 Å²	147	117.1 Å²	117.1	58%	0.576	57%	0.573	S	S	*	*	H	α-helix	trans	-64.2	-46.5	176.9	-176.2	-104.7	0	0	0	111.9	H30 Q31 T36 S37 K38	H30-Y34 WeakPolarHBondContact O-CB 3.1Å; H30-Y34 PolarHBondContact O-N 2.99Å; Q31-Y34 PolarHBondContact O-N 3.36Å; Y34-T36 PolarHBondContact O-N 3.24Å; Y34-S37 PolarHBondContact O-N 2.86Å; Y34-K38 HydrophobicContact CE1-CD 4.23Å; Y34-K38 WeakPolarHBondContact O-CB 3.31Å; Y34-K38 PolarHBondContact O-N 3.09Å
35	L	43	Very low	45.1	Very low	113 Å²	113	116.4 Å²	116.4	59%	0.592	57%	0.569	S	S	*	*	H	α-helix	trans	-62.4	-42.5	176.8	-73.1	168.5	0	0	0	112	Q31 Y32 K38 L39	Q31-L35 WeakPolarHBondContact O-CG 3.07Å; Q31-L35 PolarHBondContact O-N 2.9Å; Y32-L35 PolarHBondContact O-N 2.76Å; L35-K38 PolarHBondContact O-N 3Å; L35-L39 PolarHBondContact O-N 3.22Å
36	T	50.6	Low	45	Very low	61 Å²	61	118.6 Å²	118.6	37%	0.374	57%	0.57	S	S	.	*	H	α-helix	trans	-65.1	-40.8	178.6	-52.7	0	0	0	0	111.6	Y32 N33 Y34 L39 N40	Y32-T36 WeakPolarHBondContact O-CB 3.16Å; Y32-T36 PolarHBondContact O-N 3.01Å; Y32-T36 PolarHBondContact O-OG1 3.48Å; N33-T36 PolarHBondContact O-N 2.96Å; Y34-T36 PolarHBondContact O-N 3.24Å; T36-L39 PolarHBondContact O-N 2.97Å; T36-N40 PolarHBondContact O-N 3.31Å
37	S	50.3	Low	44.3	Very low	81 Å²	81	120.8 Å²	120.8	57%	0.566	58%	0.584	S	S	*	*	H	α-helix	trans	-67.2	-36.4	176	-153.8	0	0	0	0	112	N33 Y34 H41	N33-S37 WeakPolarHBondContact O-CB 3.48Å; N33-S37 PolarHBondContact O-N 3.42Å; Y34-S37 PolarHBondContact O-N 2.86Å; S37-H41 WeakPolarHBondContact O-CB 3.33Å; S37-H41 PolarHBondContact O-N 3.43Å
38	K	49.5	Very low	43.5	Very low	104 Å²	104	118.5 Å²	118.5	45%	0.452	59%	0.585	S	S	.	*	H	α-helix	trans	-68.6	-38.8	176.5	-145	174.8	-172.6	-174.7	0	111.4	Y34 L35 H41 I42	Y34-K38 HydrophobicContact CE1-CD 4.23Å; Y34-K38 WeakPolarHBondContact O-CB 3.31Å; Y34-K38 PolarHBondContact O-N 3.09Å; L35-K38 PolarHBondContact O-N 3Å; K38-H41 PolarHBondContact O-N 3.41Å; K38-I42 VanDerWaalsContact O-CG1 3.31Å; K38-I42 WeakPolarHBondContact O-CG1 3.31Å; K38-I42 PolarHBondContact O-N 3.46Å
39	L	45.1	Very low	43.1	Very low	110 Å²	110	114.6 Å²	114.6	58%	0.576	58%	0.579	S	S	*	*	H	α-helix	trans	-62.9	-48.8	173.3	-169	72.2	0	0	0	111.3	L35 T36 H41 I42 T43	L35-L39 PolarHBondContact O-N 3.22Å; T36-L39 PolarHBondContact O-N 2.97Å; L39-H41 PolarHBondContact O-N 2.82Å; L39-I42 WeakPolarHBondContact O-CB 3.48Å; L39-I42 PolarHBondContact O-N 3.03Å; L39-T43 PolarHBondContact O-N 3.48Å; L39-T43 PolarHBondContact O-OG1 3.17Å
40	N	45.7	Very low	42.4	Very low	99 Å²	99	114.4 Å²	114.4	53%	0.529	58%	0.583	S	S	.	*	H	α-helix	trans	-59.6	-35.7	175.7	-82.2	-16.8	0	0	0	112.6	T36 T43 Q44	T36-N40 PolarHBondContact O-N 3.31Å; N40-T43 PolarHBondContact O-N 3.07Å; N40-Q44 WeakPolarHBondContact O-CB 3.33Å; N40-Q44 PolarHBondContact O-N 3.06Å
41	H	45.2	Very low	41.5	Very low	108 Å²	108	115.1 Å²	115.1	50%	0.5	59%	0.589	S	S	.	*	H	α-helix	trans	-67.2	-38.7	175.3	-162.1	-15.3	0	0	0	112	S37 K38 L39 N45	S37-H41 WeakPolarHBondContact O-CB 3.33Å; S37-H41 PolarHBondContact O-N 3.43Å; K38-H41 PolarHBondContact O-N 3.41Å; L39-H41 PolarHBondContact O-N 2.82Å; H41-N45 PolarHBondContact CE1-ND2 2.72Å; H41-N45 VanDerWaalsContact CE1-ND2 3.31Å; H41-N45 PolarHBondContact CE1-OD1 3.43Å; H41-N45 VanDerWaalsContact CE1-OD1 3.26Å; H41-N45 PolarHBondContact ND1-ND2 2.67Å; H41-N45 PolarHBondContact ND1-OD1 3.47Å; H41-N45 WeakPolarHBondContact O-CB 3.42Å; H41-N45 PolarHBondContact O-N 2.97Å; H41-N45 PolarHBondContact O-OD1 2.98Å
42	I	42.7	Very low	40.9	Very low	101 Å²	101	111.7 Å²	111.7	52%	0.518	58%	0.581	S	S	.	*	H	α-helix	trans	-65.3	-45.4	174.3	-66.1	163.2	0	0	0	110	K38 L39 Q44 N45 Q46	K38-I42 VanDerWaalsContact O-CG1 3.31Å; K38-I42 WeakPolarHBondContact O-CG1 3.31Å; K38-I42 PolarHBondContact O-N 3.46Å; L39-I42 WeakPolarHBondContact O-CB 3.48Å; L39-I42 PolarHBondContact O-N 3.03Å; I42-Q44 PolarHBondContact O-N 3.26Å; I42-N45 PolarHBondContact O-N 3.12Å; I42-Q46 PolarHBondContact O-N 3.33Å
43	T	43.2	Very low	40.6	Very low	74 Å²	74	112.3 Å²	112.3	45%	0.454	59%	0.587	S	S	.	*	H	α-helix	trans	-64.5	-38.4	178.6	-42.8	0	0	0	0	112	L39 N40 Q46 C47	L39-T43 PolarHBondContact O-N 3.48Å; L39-T43 PolarHBondContact O-OG1 3.17Å; N40-T43 PolarHBondContact O-N 3.07Å; T43-Q46 PolarHBondContact O-N 3Å; T43-C47 PolarHBondContact O-N 3.04Å; T43-C47 VanDerWaalsContact O-N 3.15Å
44	Q	41	Very low	39.8	Very low	146 Å²	146	114 Å²	114	68%	0.682	60%	0.596	S	S	*	*	H	α-helix	trans	-68	-39.4	172.6	-89.8	-174.4	-22.2	0	0	112.7	N40 I42 Q46 C47 G48	N40-Q44 WeakPolarHBondContact O-CB 3.33Å; N40-Q44 PolarHBondContact O-N 3.06Å; I42-Q44 PolarHBondContact O-N 3.26Å; Q44-Q46 VanDerWaalsContact C-N 3.25Å; Q44-Q46 PolarHBondContact O-N 3.18Å; Q44-C47 WeakPolarHBondContact O-CB 3.45Å; Q44-C47 PolarHBondContact O-N 3.32Å; Q44-C47 VanDerWaalsContact O-N 3.12Å; Q44-G48 PolarHBondContact O-N 2.92Å
45	N	38.7	Very low	39.1	Very low	106 Å²	106	113.1 Å²	113.1	57%	0.567	60%	0.601	S	S	*	*	H	α-helix	trans	-68.5	-28	176.6	-72.1	-5.2	0	0	0	111.7	H41 I42 G48	H41-N45 PolarHBondContact CE1-ND2 2.72Å; H41-N45 VanDerWaalsContact CE1-ND2 3.31Å; H41-N45 PolarHBondContact CE1-OD1 3.43Å; H41-N45 VanDerWaalsContact CE1-OD1 3.26Å; H41-N45 PolarHBondContact ND1-ND2 2.67Å; H41-N45 PolarHBondContact ND1-OD1 3.47Å; H41-N45 WeakPolarHBondContact O-CB 3.42Å; H41-N45 PolarHBondContact O-N 2.97Å; H41-N45 PolarHBondContact O-OD1 2.98Å; I42-N45 PolarHBondContact O-N 3.12Å; N45-G48 PolarHBondContact O-N 3.35Å
46	Q	36.9	Very low	38.3	Very low	142 Å²	142	113.1 Å²	113.1	66%	0.664	61%	0.61	S	S	*	*	H	α-helix	trans	-73.6	-26.2	172.1	-136.5	170.3	15.1	0	0	112.5	I42 T43 Q44 G48 I49	I42-Q46 PolarHBondContact O-N 3.33Å; T43-Q46 PolarHBondContact O-N 3Å; Q44-Q46 VanDerWaalsContact C-N 3.25Å; Q44-Q46 PolarHBondContact O-N 3.18Å; Q46-G48 PolarHBondContact O-N 3.28Å; Q46-I49 PolarHBondContact O-N 3.15Å
47	C	31.6	Very low	37.3	Very low	106 Å²	106	115.9 Å²	115.9	72%	0.716	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-3.4	167.6	-82.9	0	0	0	0	114	T43 Q44 I49	T43-C47 PolarHBondContact O-N 3.04Å; T43-C47 VanDerWaalsContact O-N 3.15Å; Q44-C47 WeakPolarHBondContact O-CB 3.45Å; Q44-C47 PolarHBondContact O-N 3.32Å; Q44-C47 VanDerWaalsContact O-N 3.12Å; C47-I49 VanDerWaalsContact C-N 3.33Å
48	G	27.8	Very low	36.1	Very low	56 Å²	56	118.6 Å²	118.6	58%	0.577	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-13.9	173.9	0	0	0	0	0	114.3	Q44 N45 Q46 K50	Q44-G48 PolarHBondContact O-N 2.92Å; N45-G48 PolarHBondContact O-N 3.35Å; Q46-G48 PolarHBondContact O-N 3.28Å; G48-K50 PolarHBondContact O-N 3.07Å
49	I	32.4	Very low	35	Very low	127 Å²	127	119.8 Å²	119.8	65%	0.651	64%	0.644	S	S	*	*			trans	-74.1	76.6	168.6	-52	175.8	0	0	0	106.6	Q46 C47 I51	Q46-I49 PolarHBondContact O-N 3.15Å; C47-I49 VanDerWaalsContact C-N 3.33Å; I49-I51 HydrophobicContact CG2-CG1 4.34Å; I49-I51 PolarHBondContact O-N 2.95Å
50	K	32.3	Very low	34.1	Very low	188 Å²	188	123.7 Å²	123.7	82%	0.817	66%	0.656	S	S	*	*			trans	-60.6	94.8	160.3	-74.1	-176.6	179.5	179.3	0	105.5	G48 S52	G48-K50 PolarHBondContact O-N 3.07Å; K50-S52 PolarHBondContact O-N 3.36Å
51	I	31.3	Very low	33.3	Very low	138 Å²	138	124.2 Å²	124.2	71%	0.708	67%	0.667	S	S	*	*			trans	-57.9	88.6	156.2	-55.9	165.3	0	0	0	104.1	I49 K53	I49-I51 HydrophobicContact CG2-CG1 4.34Å; I49-I51 PolarHBondContact O-N 2.95Å; I51-K53 HydrophobicContact CG2-CG 4.45Å; I51-K53 PolarHBondContact O-N 3.37Å
52	S	31.5	Very low	32.5	Very low	66 Å²	66	123.8 Å²	123.8	46%	0.462	68%	0.676	S	S	.	*			trans	-55.6	97.5	165.3	168.6	0	0	0	0	105.3	K50 N54 D55	K50-S52 PolarHBondContact O-N 3.36Å; S52-N54 PolarHBondContact O-N 3.31Å; S52-D55 PolarHBondContact OG-OD2 3.3Å
53	K	37.5	Very low	31.9	Very low	184 Å²	184	128.7 Å²	128.7	80%	0.8	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-2	-177.2	-89.8	-176	173.6	-179.5	0	113.3	I51	I51-K53 HydrophobicContact CG2-CG 4.45Å; I51-K53 PolarHBondContact O-N 3.37Å
54	N	34.2	Very low	31.4	Very low	138 Å²	138	133.5 Å²	133.5	74%	0.738	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.1	4.2	-167.4	-70.7	2.7	0	0	0	115.7	S52 C56	S52-N54 PolarHBondContact O-N 3.31Å; N54-C56 PolarHBondContact O-N 2.98Å
55	D	29.8	Very low	31.1	Very low	127 Å²	127	137.8 Å²	137.8	68%	0.679	72%	0.72	S	S	*	*			trans	-82.1	62.5	166.6	-64.6	-44.9	0	0	0	109.4	S52 V57	S52-D55 PolarHBondContact OG-OD2 3.3Å; D55-V57 PolarHBondContact O-N 3.5Å
56	C	27.9	Very low	30.9	Very low	114 Å²	114	140.2 Å²	140.2	77%	0.77	73%	0.733	S	S	*	*			trans	-60.5	90.2	153.1	-71.3	0	0	0	0	106	N54 N58	N54-C56 PolarHBondContact O-N 2.98Å; C56-N58 PolarHBondContact O-N 3.01Å
57	V	28.1	Very low	30.6	Very low	118 Å²	118	138 Å²	138	72%	0.715	73%	0.734	S	S	*	*			trans	-58.2	100.7	163.1	178.1	0	0	0	0	105	D55 I59	D55-V57 PolarHBondContact O-N 3.5Å; V57-I59 HydrophobicContact CG1-CG1 4Å; V57-I59 PolarHBondContact O-N 3Å
58	N	25.3	Very low	30.7	Very low	139 Å²	139	142.1 Å²	142.1	74%	0.743	74%	0.742	S	S	*	*			trans	-72	80.1	179.8	-163	-6	0	0	0	106.8	C56 K60	C56-N58 PolarHBondContact O-N 3.01Å; N58-K60 VanDerWaalsContact C-N 3.3Å; N58-K60 PolarHBondContact O-N 2.74Å
59	I	27.1	Very low	30.9	Very low	129 Å²	129	146 Å²	146	66%	0.662	75%	0.75	S	S	*	*			trans	-67	100.3	168.8	-53.3	175.7	0	0	0	104.4	V57 C61	V57-I59 HydrophobicContact CG1-CG1 4Å; V57-I59 PolarHBondContact O-N 3Å; I59-C61 PolarHBondContact O-N 2.97Å
60	K	25.6	Very low	30.8	Very low	191 Å²	191	145.5 Å²	145.5	83%	0.83	76%	0.758	S	S	*	*			trans	-61.6	87.9	170.1	-87.6	179.6	174.8	174.3	0	107.7	N58 S62	N58-K60 VanDerWaalsContact C-N 3.3Å; N58-K60 PolarHBondContact O-N 2.74Å; K60-S62 PolarHBondContact O-N 3Å; K60-S62 VanDerWaalsContact O-N 3.08Å
61	C	28.4	Very low	30.6	Very low	110 Å²	110	144.2 Å²	144.2	74%	0.743	76%	0.758	S	S	*	*			trans	-66.5	109.8	167.6	-66.7	0	0	0	0	107.2	I59 K63	I59-C61 PolarHBondContact O-N 2.97Å; C61-K63 PolarHBondContact O-N 2.76Å
62	S	28.6	Very low	30.4	Very low	99 Å²	99	142.6 Å²	142.6	69%	0.692	76%	0.757	S	S	*	*			trans	-48.2	133.5	171.8	175	0	0	0	0	109.7	K60 H64	K60-S62 PolarHBondContact O-N 3Å; K60-S62 VanDerWaalsContact O-N 3.08Å; S62-H64 VanDerWaalsContact C-N 3.25Å; S62-H64 PolarHBondContact O-N 2.97Å
63	K	31.1	Very low	30.3	Very low	205 Å²	205	145.8 Å²	145.8	89%	0.891	77%	0.774	S	S	*	*			trans	-65.9	77.4	179.9	-64.5	176.4	177.7	177.7	0	110.6	C61	C61-K63 PolarHBondContact O-N 2.76Å
64	H	32.2	Very low	30.1	Very low	174 Å²	174	141.9 Å²	141.9	81%	0.806	77%	0.766	S	S	*	*			trans	-93.5	122	157	-91	-69.4	0	0	0	108.1	S62 D66	S62-H64 VanDerWaalsContact C-N 3.25Å; S62-H64 PolarHBondContact O-N 2.97Å; H64-D66 PolarHBondContact O-N 3.43Å
65	R	34.4	Very low	30.3	Very low	237 Å²	237	140.3 Å²	140.3	89%	0.894	77%	0.765	S	S	*	*			trans	-90.2	8.5	-157.6	-140.5	-179.9	-169.9	175.6	0.9	114.4
66	D	34.7	Very low	30.5	Very low	157 Å²	157	141.5 Å²	141.5	84%	0.84	77%	0.767	S	S	*	*	S	Bend	trans	-133.3	34.2	-161.3	-56.5	-39.5	0	0	0	115.1	H64	H64-D66 PolarHBondContact O-N 3.43Å
67	S	31.1	Very low	31.1	Very low	96 Å²	96	142.4 Å²	142.4	67%	0.671	76%	0.764	S	S	*	*			trans	-145.9	103	164.5	-176.9	0	0	0	0	110.5	D69	S67-D69 PolarHBondContact O-N 2.99Å
68	E	33	Very low	31.7	Very low	192 Å²	192	142.9 Å²	142.9	90%	0.897	76%	0.763	S	S	*	*			trans	-83.8	25.3	174.8	-68.4	-174.5	153.4	0	0	112.5	S70	E68-S70 PolarHBondContact O-N 2.93Å; E68-S70 VanDerWaalsContact O-N 3.16Å
69	D	31.4	Very low	32.4	Very low	138 Å²	138	142.7 Å²	142.7	74%	0.738	76%	0.762	S	S	*	*			trans	-93.2	71.8	179.2	-66.3	-24.4	0	0	0	110.2	S67 I71	S67-D69 PolarHBondContact O-N 2.99Å; D69-I71 PolarHBondContact O-N 3.32Å
70	S	31.2	Very low	33.3	Very low	116 Å²	116	143 Å²	143	81%	0.811	76%	0.764	S	S	*	*			trans	-70.5	97.9	167.3	61.3	0	0	0	0	109.5	E68 C72	E68-S70 PolarHBondContact O-N 2.93Å; E68-S70 VanDerWaalsContact O-N 3.16Å; S70-C72 PolarHBondContact O-N 3.48Å; S70-C72 VanDerWaalsContact O-N 3.15Å
71	I	28.7	Very low	34	Very low	160 Å²	160	141 Å²	141	82%	0.821	76%	0.763	S	S	*	*			trans	-73.6	99.2	168.5	10.1	172.3	0	0	0	108.6	D69 V73	D69-I71 PolarHBondContact O-N 3.32Å; I71-V73 PolarHBondContact O-N 3.47Å
72	C	27.4	Very low	34.9	Very low	104 Å²	104	142 Å²	142	70%	0.703	76%	0.761	S	S	*	*			trans	-82.3	105.5	167.7	-165	0	0	0	0	107.9	S70 T74	S70-C72 PolarHBondContact O-N 3.48Å; S70-C72 VanDerWaalsContact O-N 3.15Å; C72-T74 VanDerWaalsContact C-N 3.33Å; C72-T74 PolarHBondContact O-N 3.31Å
73	V	29.1	Very low	35.4	Very low	133 Å²	133	143.5 Å²	143.5	81%	0.806	76%	0.761	S	S	*	*			trans	-83.5	84.9	169.4	-176.2	0	0	0	0	107.1	I71 S75	I71-V73 PolarHBondContact O-N 3.47Å; V73-S75 PolarHBondContact O-N 3Å
74	T	32.8	Very low	35.9	Very low	103 Å²	103	142.5 Å²	142.5	63%	0.632	75%	0.753	S	S	*	*			trans	-73.4	114.9	158.9	37.6	0	0	0	0	107	C72 Q76	C72-T74 VanDerWaalsContact C-N 3.33Å; C72-T74 PolarHBondContact O-N 3.31Å; T74-Q76 PolarHBondContact O-N 3.32Å
75	S	37.3	Very low	36.3	Very low	104 Å²	104	139 Å²	139	73%	0.727	74%	0.741	S	S	*	*			trans	-60.6	92	162.6	51.8	0	0	0	0	107	V73 D77	V73-S75 PolarHBondContact O-N 3Å; S75-D77 PolarHBondContact O-N 2.79Å; S75-D77 VanDerWaalsContact O-N 3.12Å
76	Q	34.7	Very low	36.8	Very low	153 Å²	153	133 Å²	133	72%	0.715	73%	0.73	S	S	*	*			trans	-69.1	109.4	166.9	-159.5	139.7	-57.4	0	0	104.2	T74 D78	T74-Q76 PolarHBondContact O-N 3.32Å; Q76-D78 PolarHBondContact O-N 2.83Å
77	D	39.8	Very low	37.2	Very low	132 Å²	132	131.6 Å²	131.6	71%	0.706	72%	0.718	S	S	*	*			trans	-56.8	94.6	164.6	-75.9	-40.2	0	0	0	105.3	S75 N79	S75-D77 PolarHBondContact O-N 2.79Å; S75-D77 VanDerWaalsContact O-N 3.12Å; D77-N79 PolarHBondContact O-N 3.22Å
78	D	41.6	Very low	38	Very low	129 Å²	129	134.3 Å²	134.3	69%	0.69	72%	0.718	S	S	*	*			trans	-63.6	78.4	161.5	-72	-27.8	0	0	0	105	Q76 D80	Q76-D78 PolarHBondContact O-N 2.83Å; D78-D80 PolarHBondContact O-N 3.01Å
79	N	40.9	Very low	38.3	Very low	135 Å²	135	130.8 Å²	130.8	72%	0.722	70%	0.704	S	S	*	*			trans	-60.8	84.2	149.3	-69.3	-61.5	0	0	0	103.6	D77 D81	D77-N79 PolarHBondContact O-N 3.22Å; N79-D81 PolarHBondContact O-N 3.01Å
80	D	44.2	Very low	39	Very low	134 Å²	134	126 Å²	126	72%	0.717	68%	0.682	S	S	*	*			trans	-52.5	98.7	157.4	-79.1	-35.7	0	0	0	104.2	D78 D82	D78-D80 PolarHBondContact O-N 3.01Å; D80-D82 PolarHBondContact O-N 3.48Å
81	D	41.9	Very low	39.7	Very low	150 Å²	150	124.9 Å²	124.9	80%	0.802	67%	0.667	S	S	*	*			trans	-55.9	86.8	164.7	-101.3	-27.5	0	0	0	104.8	N79 N83	N79-D81 PolarHBondContact O-N 3.01Å; D81-N83 HydrophobicContact CB-CB 4.43Å; D81-N83 PolarHBondContact O-N 3.38Å
82	D	45.7	Very low	40.2	Very low	130 Å²	130	122.4 Å²	122.4	70%	0.695	65%	0.654	S	S	*	*			trans	-64.1	53.6	155.2	-78.9	-32.2	0	0	0	107.4	D80 Y84	D80-D82 PolarHBondContact O-N 3.48Å; D82-Y84 HydrophobicContact CB-CD2 4.11Å; D82-Y84 HydrophobicContact CB-CE2 4.48Å; D82-Y84 PolarHBondContact O-N 3.03Å
83	N	41.1	Very low	40.8	Very low	131 Å²	131	122.2 Å²	122.2	70%	0.701	65%	0.649	S	S	*	*			trans	-71	63.7	160.5	-172.8	27.8	0	0	0	106.5	D81 D85	D81-N83 HydrophobicContact CB-CB 4.43Å; D81-N83 PolarHBondContact O-N 3.38Å; N83-D85 VanDerWaalsContact C-N 3.31Å; N83-D85 PolarHBondContact O-N 2.91Å
84	Y	40.3	Very low	41.4	Very low	184 Å²	184	120.8 Å²	120.8	72%	0.722	64%	0.638	S	S	*	*			trans	-59.6	105.1	160.1	-90	-84.5	0	0	0	105.7	D82 V86	D82-Y84 HydrophobicContact CB-CD2 4.11Å; D82-Y84 HydrophobicContact CB-CE2 4.48Å; D82-Y84 PolarHBondContact O-N 3.03Å; Y84-V86 VanDerWaalsContact C-N 3.3Å; Y84-V86 WeakPolarHBondContact O-CG2 3.45Å; Y84-V86 PolarHBondContact O-N 2.85Å
85	D	40.7	Very low	41.6	Very low	102 Å²	102	123.3 Å²	123.3	55%	0.545	64%	0.642	S	S	.	*			trans	-42.4	90.9	176.9	-160.7	-1.5	0	0	0	110.4	N83 Q87 K88	N83-D85 VanDerWaalsContact C-N 3.31Å; N83-D85 PolarHBondContact O-N 2.91Å; D85-Q87 PolarHBondContact O-N 2.75Å; D85-Q87 WeakPolarHBondContact OD1-CB 3.46Å; D85-K88 PolarHBondContact O-N 2.77Å
86	V	44.4	Very low	41.7	Very low	109 Å²	109	123.8 Å²	123.8	66%	0.661	64%	0.641	S	S	*	*	H	α-helix	trans	-59	-23.2	-176	-179.1	0	0	0	0	109.8	Y84 K88 L89 S90	Y84-V86 VanDerWaalsContact C-N 3.3Å; Y84-V86 WeakPolarHBondContact O-CG2 3.45Å; Y84-V86 PolarHBondContact O-N 2.85Å; V86-K88 VanDerWaalsContact C-N 3.3Å; V86-K88 PolarHBondContact O-N 2.8Å; V86-L89 PolarHBondContact O-N 3.27Å; V86-S90 PolarHBondContact O-N 2.83Å
87	Q	44.1	Very low	41.8	Very low	129 Å²	129	120.5 Å²	120.5	60%	0.603	64%	0.635	S	S	*	*	H	α-helix	trans	-56.9	-41.7	173.5	-135.7	79.3	56.1	0	0	112	D85 L89 S90 D91	D85-Q87 PolarHBondContact O-N 2.75Å; D85-Q87 WeakPolarHBondContact OD1-CB 3.46Å; Q87-L89 VanDerWaalsContact C-N 3.31Å; Q87-L89 PolarHBondContact O-N 2.75Å; Q87-S90 WeakPolarHBondContact CA-OG 3.34Å; Q87-S90 PolarHBondContact O-N 2.81Å; Q87-S90 VanDerWaalsContact O-N 3.07Å; Q87-S90 PolarHBondContact O-OG 2.86Å; Q87-D91 PolarHBondContact O-N 2.77Å
88	K	47.7	Very low	41.5	Very low	153 Å²	153	120.8 Å²	120.8	67%	0.665	64%	0.635	S	S	*	*	H	α-helix	trans	-70.5	-27.4	-177.2	-156.6	171.8	-171.9	175.8	0	113	D85 V86 I92	D85-K88 PolarHBondContact O-N 2.77Å; V86-K88 VanDerWaalsContact C-N 3.3Å; V86-K88 PolarHBondContact O-N 2.8Å; K88-I92 WeakPolarHBondContact O-CG1 3.42Å
89	L	39.6	Very low	41	Very low	117 Å²	117	125.3 Å²	125.3	61%	0.613	64%	0.644	S	S	*	*	H	α-helix	trans	-75.4	-36.6	169.9	-82.6	165.2	0	0	0	111.4	V86 Q87 D91 I92 V93	V86-L89 PolarHBondContact O-N 3.27Å; Q87-L89 VanDerWaalsContact C-N 3.31Å; Q87-L89 PolarHBondContact O-N 2.75Å; L89-D91 VanDerWaalsContact C-N 3.32Å; L89-D91 PolarHBondContact O-N 2.77Å; L89-I92 PolarHBondContact O-N 2.86Å; L89-V93 WeakPolarHBondContact O-CG2 3.37Å; L89-V93 PolarHBondContact O-N 2.91Å
90	S	45.3	Very low	40.5	Very low	39 Å²	39	125.4 Å²	125.4	27%	0.273	64%	0.644	S	S	.	*	H	α-helix	trans	-65.5	-34	176.2	73.5	0	0	0	0	112.9	V86 Q87 I92 V93 N94	V86-S90 PolarHBondContact O-N 2.83Å; Q87-S90 WeakPolarHBondContact CA-OG 3.34Å; Q87-S90 PolarHBondContact O-N 2.81Å; Q87-S90 VanDerWaalsContact O-N 3.07Å; Q87-S90 PolarHBondContact O-OG 2.86Å; S90-I92 VanDerWaalsContact C-N 3.34Å; S90-I92 PolarHBondContact O-N 2.87Å; S90-V93 PolarHBondContact O-N 3.23Å; S90-N94 WeakPolarHBondContact O-CB 3.27Å; S90-N94 PolarHBondContact O-N 3Å; S90-N94 PolarHBondContact O-ND2 3.16Å
91	D	45.9	Very low	40.2	Very low	91 Å²	91	126 Å²	126	49%	0.487	65%	0.648	S	S	.	*	H	α-helix	trans	-67.7	-34.3	175.7	-71	-19.5	0	0	0	112.4	Q87 L89 Q95	Q87-D91 PolarHBondContact O-N 2.77Å; L89-D91 VanDerWaalsContact C-N 3.32Å; L89-D91 PolarHBondContact O-N 2.77Å; D91-Q95 WeakPolarHBondContact O-CB 3.44Å; D91-Q95 WeakPolarHBondContact O-CG 3.37Å; D91-Q95 PolarHBondContact O-N 2.82Å
92	I	40.5	Very low	40	Very low	109 Å²	109	126.5 Å²	126.5	56%	0.559	65%	0.65	S	S	*	*	H	α-helix	trans	-68.8	-38.1	175.8	-64.3	167.5	0	0	0	110.6	K88 L89 S90 T96	K88-I92 WeakPolarHBondContact O-CG1 3.42Å; L89-I92 PolarHBondContact O-N 2.86Å; S90-I92 VanDerWaalsContact C-N 3.34Å; S90-I92 PolarHBondContact O-N 2.87Å; I92-T96 PolarHBondContact O-OG1 3.12Å
93	V	40.1	Very low	39.9	Very low	99 Å²	99	127 Å²	127	60%	0.6	65%	0.653	S	S	*	*	H	α-helix	trans	-74.4	-35	178.5	178	0	0	0	0	111.6	L89 S90 T96	L89-V93 WeakPolarHBondContact O-CG2 3.37Å; L89-V93 PolarHBondContact O-N 2.91Å; S90-V93 PolarHBondContact O-N 3.23Å; V93-T96 PolarHBondContact O-N 2.73Å; V93-T96 PolarHBondContact O-OG1 2.82Å
94	N	41.2	Very low	39.5	Very low	104 Å²	104	124.7 Å²	124.7	56%	0.556	66%	0.66	S	S	*	*	H	α-helix	trans	-80.4	-17.9	178.7	-70.2	-19.2	0	0	0	113.6	S90 T96 S97	S90-N94 WeakPolarHBondContact O-CB 3.27Å; S90-N94 PolarHBondContact O-N 3Å; S90-N94 PolarHBondContact O-ND2 3.16Å; N94-T96 PolarHBondContact O-N 2.97Å; N94-S97 PolarHBondContact O-OG 3.38Å
95	Q	37.1	Very low	39.3	Very low	155 Å²	155	123.8 Å²	123.8	72%	0.724	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-73.2	-9.8	169.3	-81	-175.7	16.1	0	0	113.3	D91	D91-Q95 WeakPolarHBondContact O-CB 3.44Å; D91-Q95 WeakPolarHBondContact O-CG 3.37Å; D91-Q95 PolarHBondContact O-N 2.82Å
96	T	39.3	Very low	39.2	Very low	115 Å²	115	127.7 Å²	127.7	71%	0.706	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-89	-0.4	179.3	-4.6	0	0	0	0	114.3	I92 V93 N94	I92-T96 PolarHBondContact O-OG1 3.12Å; V93-T96 PolarHBondContact O-N 2.73Å; V93-T96 PolarHBondContact O-OG1 2.82Å; N94-T96 PolarHBondContact O-N 2.97Å
97	S	35.6	Very low	38.9	Very low	84 Å²	84	130.5 Å²	130.5	59%	0.587	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-104.7	18.4	-176.5	68.3	0	0	0	0	115.8	N94	N94-S97 PolarHBondContact O-OG 3.38Å
98	I	34	Very low	38.7	Very low	137 Å²	137	133 Å²	133	70%	0.703	70%	0.699	S	S	*	*			trans	-115.7	30.9	178.2	-38.3	-178.3	0	0	0	112.5
99	Y	31.9	Very low	38.5	Very low	224 Å²	224	134.4 Å²	134.4	88%	0.878	71%	0.709	S	S	*	*			trans	-123.6	79.2	162.5	-79.6	-84.4	0	0	0	108.2
100	N	30.4	Very low	38.6	Very low	137 Å²	137	137.5 Å²	137.5	73%	0.733	72%	0.72	S	S	*	*			trans	-94.2	153.9	152.8	-68.6	-49.2	0	0	0	107.3
101	D	37.9	Very low	38.6	Very low	147 Å²	147	144.6 Å²	144.6	79%	0.786	75%	0.746	S	S	*	*			trans	96.8	88.5	178.5	-49.3	-18.1	0	0	0	110.9
102	D	36.4	Very low	38.6	Very low	160 Å²	160	146.3 Å²	146.3	86%	0.856	76%	0.755	S	S	*	*				64.9	44.6	83.5	-156.9	28.8	0	0	0	113.8
103	D	43.7	Very low	39	Very low	140 Å²	140	147.1 Å²	147.1	75%	0.749	76%	0.76	S	S	*	*			trans	-107	103.1	157.7	-60.5	-29.5	0	0	0	107.2	E105	D103-E105 PolarHBondContact O-N 3.37Å
104	G	33	Very low	39.6	Very low	83 Å²	83	148.9 Å²	148.9	86%	0.856	77%	0.767	S	S	*	*			trans	-65.6	66.5	173.3	0	0	0	0	0	112.2	E106	G104-E106 PolarHBondContact O-N 3.49Å
105	E	36.7	Very low	39.9	Very low	166 Å²	166	152.4 Å²	152.4	78%	0.776	78%	0.777	S	S	*	*			trans	-71.4	110.6	167.2	-75	-85.1	154	0	0	107.4	D103 L107	D103-E105 PolarHBondContact O-N 3.37Å; E105-L107 PolarHBondContact O-N 3.27Å
106	E	38.6	Very low	40.5	Very low	184 Å²	184	150.1 Å²	150.1	86%	0.86	77%	0.766	S	S	*	*			trans	-46.2	104.5	169.1	-157.6	169.7	-160.5	0	0	107.9	G104 E108	G104-E106 PolarHBondContact O-N 3.49Å; E106-E108 VanDerWaalsContact C-N 3.29Å; E106-E108 PolarHBondContact O-N 2.96Å
107	L	38.6	Very low	40.9	Very low	167 Å²	167	151.7 Å²	151.7	87%	0.874	76%	0.76	S	S	*	*			trans	-62.6	94.8	179	-73.7	171.2	0	0	0	107.6	E105 E109	E105-L107 PolarHBondContact O-N 3.27Å; L107-E109 PolarHBondContact O-N 3Å; L107-E109 VanDerWaalsContact O-N 3.07Å
108	E	39.5	Very low	41.8	Very low	181 Å²	181	152.6 Å²	152.6	85%	0.846	76%	0.758	S	S	*	*			trans	-52.4	119.7	164.9	-70.4	-148.8	169.9	0	0	106.6	E106 E110	E106-E108 VanDerWaalsContact C-N 3.29Å; E106-E108 PolarHBondContact O-N 2.96Å; E108-E110 PolarHBondContact O-N 3.42Å
109	E	42.4	Very low	42.6	Very low	184 Å²	184	148.1 Å²	148.1	86%	0.86	74%	0.741	S	S	*	*			trans	-47.9	103.6	176	-75.3	-178	157.7	0	0	107.9	L107 K111	L107-E109 PolarHBondContact O-N 3Å; L107-E109 VanDerWaalsContact O-N 3.07Å; E109-K111 VanDerWaalsContact C-N 3.32Å; E109-K111 PolarHBondContact O-N 3.47Å
110	E	43.7	Very low	43.6	Very low	181 Å²	181	143.1 Å²	143.1	85%	0.846	72%	0.724	S	S	*	*			trans	-58	102.3	177.6	-171.5	174.5	-171	0	0	105.4	E108 D112	E108-E110 PolarHBondContact O-N 3.42Å; E110-D112 PolarHBondContact O-N 3.19Å
111	K	44.7	Very low	45	Very low	188 Å²	188	141.1 Å²	141.1	82%	0.817	71%	0.713	S	S	*	*			trans	-60.1	96.3	177.3	-80.9	179.6	177.6	167.3	0	106.1	E109 D113	E109-K111 VanDerWaalsContact C-N 3.32Å; E109-K111 PolarHBondContact O-N 3.47Å; K111-D113 PolarHBondContact O-N 2.92Å
112	D	44.4	Very low	45.9	Very low	127 Å²	127	139.8 Å²	139.8	68%	0.679	70%	0.703	S	S	*	*			trans	-39.6	107.6	172.7	-96.7	-27	0	0	0	107.6	E110 N114	E110-D112 PolarHBondContact O-N 3.19Å; D112-N114 PolarHBondContact O-N 3.33Å
113	D	50.5	Low	46.5	Very low	127 Å²	127	137.1 Å²	137.1	68%	0.679	69%	0.687	S	S	*	*			trans	-54.2	115.2	-173.8	-86.3	-33.4	0	0	0	106.9	K111 K115 E116	K111-D113 PolarHBondContact O-N 2.92Å; D113-K115 CarbonylContact O-C 3.59Å; D113-K115 PolarHBondContact O-N 2.89Å; D113-E116 PolarHBondContact O-N 3.31Å
114	N	52.6	Low	47	Very low	136 Å²	136	133.2 Å²	133.2	73%	0.727	67%	0.671	S	S	*	*	H	α-helix	trans	-50.9	-17.6	-174.3	-151.5	15.9	0	0	0	112.8	D112 L118	D112-N114 PolarHBondContact O-N 3.33Å; N114-L118 WeakPolarHBondContact O-CB 3.4Å; N114-L118 PolarHBondContact O-N 2.98Å; N114-L118 VanDerWaalsContact O-N 3.17Å
115	K	47.9	Very low	47.9	Very low	178 Å²	178	135.5 Å²	135.5	77%	0.774	66%	0.659	S	S	*	*	H	α-helix	trans	-70.2	-38.8	174.6	-147.9	173.4	-172.1	177.1	0	114.1	D113 A119	D113-K115 CarbonylContact O-C 3.59Å; D113-K115 PolarHBondContact O-N 2.89Å; K115-A119 PolarHBondContact O-N 3.15Å; K115-A119 VanDerWaalsContact O-N 3.12Å
116	E	48	Very low	48.6	Very low	106 Å²	106	136 Å²	136	50%	0.495	65%	0.654	S	S	.	*	H	α-helix	trans	-69.4	-41.9	176.7	-174	175.1	161.7	0	0	110.7	D113 L118 A119 K120	D113-E116 PolarHBondContact O-N 3.31Å; E116-L118 VanDerWaalsContact C-N 3.33Å; E116-L118 PolarHBondContact O-N 3.45Å; E116-A119 PolarHBondContact O-N 3.24Å; E116-K120 HydrophobicContact CG-CD 4.47Å; E116-K120 PolarHBondContact O-N 3.14Å; E116-K120 WeakPolarHBondContact OE1-CE 3.46Å; E116-K120 IonicContact OE1-NZ 3.72Å; E116-K120 PolarHBondContact OE1-NZ 3.44Å
117	Y	48.8	Very low	49	Very low	149 Å²	149	131 Å²	131	58%	0.584	63%	0.633	S	S	*	*	H	α-helix	trans	-62.1	-41.6	176.4	-142.9	-84.5	0	0	0	111.7	K120 N121	Y117-K120 PolarHBondContact O-N 3.41Å; Y117-N121 PolarHBondContact O-N 2.99Å
118	L	54.5	Low	49.2	Very low	102 Å²	102	128.1 Å²	128.1	53%	0.534	62%	0.618	S	S	.	*	H	α-helix	trans	-62.3	-43.7	175.8	-170.1	70.2	0	0	0	111.9	N114 E116 N121 Q122	N114-L118 WeakPolarHBondContact O-CB 3.4Å; N114-L118 PolarHBondContact O-N 2.98Å; N114-L118 VanDerWaalsContact O-N 3.17Å; E116-L118 VanDerWaalsContact C-N 3.33Å; E116-L118 PolarHBondContact O-N 3.45Å; L118-N121 PolarHBondContact O-N 3.26Å; L118-Q122 WeakPolarHBondContact O-CG 3.43Å; L118-Q122 PolarHBondContact O-N 2.95Å
119	A	50	Low	49.6	Very low	43 Å²	43	124.5 Å²	124.5	36%	0.355	60%	0.601	S	S	.	*	H	α-helix	trans	-64.8	-42.5	178.3	0	0	0	0	0	112.1	K115 E116 N121 Q122 I123	K115-A119 PolarHBondContact O-N 3.15Å; K115-A119 VanDerWaalsContact O-N 3.12Å; E116-A119 PolarHBondContact O-N 3.24Å; A119-N121 VanDerWaalsContact C-N 3.35Å; A119-N121 PolarHBondContact O-N 3.46Å; A119-Q122 PolarHBondContact O-N 3.39Å; A119-I123 VanDerWaalsContact O-CG1 3.32Å; A119-I123 WeakPolarHBondContact O-CG1 3.36Å; A119-I123 PolarHBondContact O-N 3.39Å
120	K	54.4	Low	49.5	Very low	120 Å²	120	120.7 Å²	120.7	52%	0.522	59%	0.585	S	S	.	*	H	α-helix	trans	-61.6	-41.4	175.7	-76.5	178.9	-177.1	162.2	0	112	E116 Y117 S124	E116-K120 HydrophobicContact CG-CD 4.47Å; E116-K120 PolarHBondContact O-N 3.14Å; E116-K120 WeakPolarHBondContact OE1-CE 3.46Å; E116-K120 IonicContact OE1-NZ 3.72Å; E116-K120 PolarHBondContact OE1-NZ 3.44Å; Y117-K120 PolarHBondContact O-N 3.41Å; K120-S124 WeakPolarHBondContact O-CB 3.32Å; K120-S124 PolarHBondContact O-N 3.4Å; K120-S124 PolarHBondContact O-OG 3.39Å
121	N	59	Low	49.6	Very low	95 Å²	95	118 Å²	118	51%	0.508	58%	0.576	S	S	.	*	H	α-helix	trans	-65.8	-41.5	176.7	-103.2	-7.1	0	0	0	112.6	Y117 L118 A119 S124 Q125	Y117-N121 PolarHBondContact O-N 2.99Å; L118-N121 PolarHBondContact O-N 3.26Å; A119-N121 VanDerWaalsContact C-N 3.35Å; A119-N121 PolarHBondContact O-N 3.46Å; N121-S124 PolarHBondContact O-N 3.19Å; N121-Q125 PolarHBondContact O-N 3Å
122	Q	57.1	Low	49.9	Very low	119 Å²	119	113.3 Å²	113.3	56%	0.556	56%	0.557	S	S	*	*	H	α-helix	trans	-65.1	-42.3	178	-74.3	178.5	-18	0	0	112.2	L118 A119 Q125 W126	L118-Q122 WeakPolarHBondContact O-CG 3.43Å; L118-Q122 PolarHBondContact O-N 2.95Å; A119-Q122 PolarHBondContact O-N 3.39Å; Q122-Q125 PolarHBondContact O-N 2.9Å; Q122-W126 PolarHBondContact O-N 3.49Å; Q122-W126 VanDerWaalsContact O-N 3.1Å
123	I	49.3	Very low	49.6	Very low	104 Å²	104	111 Å²	111	53%	0.533	55%	0.55	S	S	.	.	H	α-helix	trans	-64.5	-42.6	176.7	-68.4	165.5	0	0	0	110.6	A119 W126 I127	A119-I123 VanDerWaalsContact O-CG1 3.32Å; A119-I123 WeakPolarHBondContact O-CG1 3.36Å; A119-I123 PolarHBondContact O-N 3.39Å; I123-W126 PolarHBondContact O-N 2.91Å; I123-I127 HydrophobicContact CG2-CD1 3.82Å; I123-I127 HydrophobicContact CG2-CG1 4.45Å; I123-I127 WeakPolarHBondContact O-CG1 3.4Å; I123-I127 PolarHBondContact O-N 3.45Å
124	S	52.9	Low	49.3	Very low	58 Å²	58	108.6 Å²	108.6	41%	0.406	54%	0.542	S	S	.	.	H	α-helix	trans	-62	-45.5	178.3	-57.4	0	0	0	0	111.7	K120 N121 W126 I127 D128	K120-S124 WeakPolarHBondContact O-CB 3.32Å; K120-S124 PolarHBondContact O-N 3.4Å; K120-S124 PolarHBondContact O-OG 3.39Å; N121-S124 PolarHBondContact O-N 3.19Å; S124-W126 VanDerWaalsContact C-N 3.27Å; S124-W126 PolarHBondContact O-N 3.1Å; S124-I127 PolarHBondContact O-N 3.2Å; S124-D128 PolarHBondContact O-N 3.02Å
125	Q	53.4	Low	48.9	Very low	130 Å²	130	108.2 Å²	108.2	61%	0.607	53%	0.534	S	S	*	.	H	α-helix	trans	-59.5	-36.8	174.3	-90.1	-172.8	1.1	0	0	113.1	N121 Q122 Q129	N121-Q125 PolarHBondContact O-N 3Å; Q122-Q125 PolarHBondContact O-N 2.9Å; Q125-Q129 WeakPolarHBondContact O-CG 3.43Å; Q125-Q129 PolarHBondContact O-N 3.17Å; Q125-Q129 VanDerWaalsContact O-N 3.14Å
126	W	51.4	Low	48.6	Very low	176 Å²	176	105.4 Å²	105.4	67%	0.667	53%	0.528	S	S	*	.	H	α-helix	trans	-70.9	-39.8	179.6	-156.5	63	0	0	0	111.8	Q122 I123 S124 Q129 I130	Q122-W126 PolarHBondContact O-N 3.49Å; Q122-W126 VanDerWaalsContact O-N 3.1Å; I123-W126 PolarHBondContact O-N 2.91Å; S124-W126 VanDerWaalsContact C-N 3.27Å; S124-W126 PolarHBondContact O-N 3.1Å; W126-Q129 PolarHBondContact O-N 2.96Å; W126-I130 HydrophobicContact CD2-CD1 3.92Å; W126-I130 HydrophobicContact CE3-CD1 3.72Å; W126-I130 HydrophobicContact CH2-CD1 4.09Å; W126-I130 HydrophobicContact CZ2-CD1 4.27Å; W126-I130 HydrophobicContact CZ3-CD1 3.81Å; W126-I130 VanDerWaalsContact O-CG1 3.32Å; W126-I130 WeakPolarHBondContact O-CG1 3.35Å; W126-I130 PolarHBondContact O-N 3.02Å
127	I	45.7	Very low	48.2	Very low	81 Å²	81	105.4 Å²	105.4	42%	0.415	53%	0.531	S	S	.	.	H	α-helix	trans	-62.7	-45.2	174.7	-68.5	168.5	0	0	0	110.6	I123 S124 Q129 I130 L131	I123-I127 HydrophobicContact CG2-CD1 3.82Å; I123-I127 HydrophobicContact CG2-CG1 4.45Å; I123-I127 WeakPolarHBondContact O-CG1 3.4Å; I123-I127 PolarHBondContact O-N 3.45Å; S124-I127 PolarHBondContact O-N 3.2Å; I127-Q129 VanDerWaalsContact C-N 3.34Å; I127-Q129 PolarHBondContact O-N 3.15Å; I127-I130 PolarHBondContact O-N 3.02Å; I127-I130 VanDerWaalsContact O-N 3.15Å; I127-L131 HydrophobicContact CG2-CD1 3.62Å; I127-L131 HydrophobicContact CG2-CG 4.27Å; I127-L131 WeakPolarHBondContact O-CG 3.33Å; I127-L131 PolarHBondContact O-N 3.34Å
128	D	44.1	Very low	47.7	Very low	106 Å²	106	105.1 Å²	105.1	57%	0.567	54%	0.539	S	S	*	.	H	α-helix	trans	-63.4	-38.1	179.8	-72.1	-20.4	0	0	0	112.3	S124 I130 L131 E132	S124-D128 PolarHBondContact O-N 3.02Å; D128-I130 VanDerWaalsContact C-N 3.3Å; D128-I130 PolarHBondContact O-N 3.35Å; D128-L131 PolarHBondContact O-N 2.97Å; D128-E132 PolarHBondContact O-N 3.41Å
129	Q	47.6	Very low	46.6	Very low	105 Å²	105	105.2 Å²	105.2	49%	0.491	55%	0.549	S	S	.	.	H	α-helix	trans	-65.8	-31.3	175.6	-75.9	179.4	22.3	0	0	113.2	Q125 W126 I127	Q125-Q129 WeakPolarHBondContact O-CG 3.43Å; Q125-Q129 PolarHBondContact O-N 3.17Å; Q125-Q129 VanDerWaalsContact O-N 3.14Å; W126-Q129 PolarHBondContact O-N 2.96Å; I127-Q129 VanDerWaalsContact C-N 3.34Å; I127-Q129 PolarHBondContact O-N 3.15Å
130	I	40.5	Very low	45.6	Very low	103 Å²	103	109.1 Å²	109.1	53%	0.528	56%	0.562	S	S	.	*	H	α-helix	trans	-77.9	-40.5	177.9	-66.8	167.4	0	0	0	110.7	W126 I127 D128	W126-I130 HydrophobicContact CD2-CD1 3.92Å; W126-I130 HydrophobicContact CE3-CD1 3.72Å; W126-I130 HydrophobicContact CH2-CD1 4.09Å; W126-I130 HydrophobicContact CZ2-CD1 4.27Å; W126-I130 HydrophobicContact CZ3-CD1 3.81Å; W126-I130 VanDerWaalsContact O-CG1 3.32Å; W126-I130 WeakPolarHBondContact O-CG1 3.35Å; W126-I130 PolarHBondContact O-N 3.02Å; I127-I130 PolarHBondContact O-N 3.02Å; I127-I130 VanDerWaalsContact O-N 3.15Å; D128-I130 VanDerWaalsContact C-N 3.3Å; D128-I130 PolarHBondContact O-N 3.35Å
131	L	45.2	Very low	44.5	Very low	126 Å²	126	108.3 Å²	108.3	66%	0.66	57%	0.572	S	S	*	*	H	α-helix	trans	-76.2	-35.2	-177.2	-69.2	173.8	0	0	0	112.8	I127 D128	I127-L131 HydrophobicContact CG2-CD1 3.62Å; I127-L131 HydrophobicContact CG2-CG 4.27Å; I127-L131 WeakPolarHBondContact O-CG 3.33Å; I127-L131 PolarHBondContact O-N 3.34Å; D128-L131 PolarHBondContact O-N 2.97Å
132	E	50.1	Low	43.1	Very low	88 Å²	88	110 Å²	110	41%	0.411	59%	0.586	S	S	.	*			trans	-132.6	65.5	-178.5	-70	-170.1	145.2	0	0	113.3	D128 S134 K135	D128-E132 PolarHBondContact O-N 3.41Å; E132-S134 PolarHBondContact O-N 2.68Å; E132-K135 HydrophobicContact CB-CG 4.47Å; E132-K135 VanDerWaalsContact CD-CE 3.42Å; E132-K135 PolarHBondContact O-N 3.26Å; E132-K135 WeakPolarHBondContact OE1-CE 3.43Å; E132-K135 IonicContact OE1-NZ 2.72Å; E132-K135 PolarHBondContact OE1-NZ 3.12Å; E132-K135 WeakPolarHBondContact OE2-CD 3.46Å; E132-K135 WeakPolarHBondContact OE2-CE 3.36Å; E132-K135 IonicContact OE2-NZ 2.67Å; E132-K135 PolarHBondContact OE2-NZ 3.45Å
133	P	39	Very low	41.8	Very low	80 Å²	80	111.1 Å²	111.1	52%	0.519	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.9	-24.7	179.5	20.3	-30.8	0	0	0	113	L137	P133-L137 WeakPolarHBondContact O-CD1 3.44Å; P133-L137 WeakPolarHBondContact O-CG 3.12Å
134	S	45	Very low	40.9	Very low	76 Å²	76	110.8 Å²	110.8	53%	0.531	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80	-24.6	-176.3	58.1	0	0	0	0	115.3	E132 N136 L137	E132-S134 PolarHBondContact O-N 2.68Å; S134-N136 VanDerWaalsContact C-N 3.26Å; S134-N136 PolarHBondContact O-N 2.79Å; S134-L137 PolarHBondContact O-N 3.21Å; S134-L137 VanDerWaalsContact O-N 3.12Å
135	K	43.1	Very low	39.8	Very low	128 Å²	128	112 Å²	112	56%	0.557	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-68.6	-28.5	-177.3	-77.1	-162.6	-168.3	148	0	112.4	E132	E132-K135 HydrophobicContact CB-CG 4.47Å; E132-K135 VanDerWaalsContact CD-CE 3.42Å; E132-K135 PolarHBondContact O-N 3.26Å; E132-K135 WeakPolarHBondContact OE1-CE 3.43Å; E132-K135 IonicContact OE1-NZ 2.72Å; E132-K135 PolarHBondContact OE1-NZ 3.12Å; E132-K135 WeakPolarHBondContact OE2-CD 3.46Å; E132-K135 WeakPolarHBondContact OE2-CE 3.36Å; E132-K135 IonicContact OE2-NZ 2.67Å; E132-K135 PolarHBondContact OE2-NZ 3.45Å
136	N	41.6	Very low	38.7	Very low	118 Å²	118	115.1 Å²	115.1	63%	0.631	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-86.8	-3.9	174.8	-66.3	-26	0	0	0	113.8	S134	S134-N136 VanDerWaalsContact C-N 3.26Å; S134-N136 PolarHBondContact O-N 2.79Å
137	L	40.5	Very low	37.8	Very low	107 Å²	107	115.3 Å²	115.3	56%	0.56	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-95.8	-5.4	178.5	-72.5	170.8	0	0	0	113.9	P133 S134 S139 L140	P133-L137 WeakPolarHBondContact O-CD1 3.44Å; P133-L137 WeakPolarHBondContact O-CG 3.12Å; S134-L137 PolarHBondContact O-N 3.21Å; S134-L137 VanDerWaalsContact O-N 3.12Å; L137-S139 PolarHBondContact O-N 3.17Å; L137-L140 PolarHBondContact O-N 2.79Å
138	N	37.3	Very low	37.1	Very low	142 Å²	142	117.9 Å²	117.9	76%	0.759	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-0.8	-177.2	-77.4	-21.6	0	0	0	115.1
139	S	31.7	Very low	36.9	Very low	105 Å²	105	120.6 Å²	120.6	73%	0.734	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-9.1	169.8	61	0	0	0	0	113.9	L137	L137-S139 PolarHBondContact O-N 3.17Å
140	L	29.4	Very low	36.2	Very low	124 Å²	124	122.7 Å²	122.7	65%	0.649	67%	0.671	S	S	*	*	S	Bend	trans	-96.8	103.4	173.8	-106.2	77.5	0	0	0	110	L137 V142	L137-L140 PolarHBondContact O-N 2.79Å; L140-V142 PolarHBondContact O-N 2.99Å
141	S	30.6	Very low	35.9	Very low	103 Å²	103	125.9 Å²	125.9	72%	0.72	68%	0.684	S	S	*	*			trans	-40.7	112.3	166.3	177.6	0	0	0	0	110.3	N143	S141-N143 PolarHBondContact O-N 2.71Å
142	V	29.8	Very low	35.3	Very low	132 Å²	132	129 Å²	129	80%	0.8	69%	0.692	S	S	*	*			trans	-70.3	81.6	-178.9	-176.3	0	0	0	0	108.2	L140 S144	L140-V142 PolarHBondContact O-N 2.99Å; V142-S144 VanDerWaalsContact C-N 3.29Å; V142-S144 PolarHBondContact O-N 3.05Å
143	N	30.1	Very low	34.7	Very low	142 Å²	142	130.1 Å²	130.1	76%	0.759	71%	0.707	S	S	*	*			trans	-68.5	99	160.1	-77	-27.1	0	0	0	106.4	S141 A145	S141-N143 PolarHBondContact O-N 2.71Å; N143-A145 PolarHBondContact O-N 3.2Å
144	S	30.7	Very low	34.5	Very low	97 Å²	97	135.5 Å²	135.5	68%	0.678	72%	0.722	S	S	*	*			trans	-59	86	173.7	58.1	0	0	0	0	109.7	V142 K146	V142-S144 VanDerWaalsContact C-N 3.29Å; V142-S144 PolarHBondContact O-N 3.05Å; S144-K146 PolarHBondContact O-N 2.96Å
145	A	28.6	Very low	34.2	Very low	83 Å²	83	135.8 Å²	135.8	69%	0.686	73%	0.729	S	S	*	*			trans	-67.3	99.3	168.2	0	0	0	0	0	107	N143 F147	N143-A145 PolarHBondContact O-N 3.2Å; A145-F147 VanDerWaalsContact C-N 3.35Å; A145-F147 PolarHBondContact O-N 2.87Å
146	K	30.2	Very low	34	Very low	196 Å²	196	134 Å²	134	85%	0.852	73%	0.729	S	S	*	*			trans	-62.1	96.6	172.7	-75.1	179.7	178.2	177.4	0	108.1	S144 N148	S144-K146 PolarHBondContact O-N 2.96Å; K146-N148 PolarHBondContact O-N 3.39Å; K146-N148 VanDerWaalsContact O-N 3.15Å
147	F	32.1	Very low	33.7	Very low	180 Å²	180	139 Å²	139	79%	0.789	74%	0.741	S	S	*	*			trans	-67.1	108.9	168.6	-109.3	-93.5	0	0	0	108.2	A145 H149	A145-F147 VanDerWaalsContact C-N 3.35Å; A145-F147 PolarHBondContact O-N 2.87Å; F147-H149 PolarHBondContact O-N 3.08Å
148	N	32.6	Very low	33.6	Very low	134 Å²	134	138 Å²	138	72%	0.717	74%	0.742	S	S	*	*			trans	-79.9	99.1	177.3	-146.2	-7.1	0	0	0	107.8	K146 N150	K146-N148 PolarHBondContact O-N 3.39Å; K146-N148 VanDerWaalsContact O-N 3.15Å; N148-N150 PolarHBondContact O-N 3.16Å; N148-N150 VanDerWaalsContact O-N 3.08Å
149	H	38.9	Very low	34	Very low	164 Å²	164	138.6 Å²	138.6	76%	0.759	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-1.5	-173	-104.8	9.5	0	0	0	115.4	F147	F147-H149 PolarHBondContact O-N 3.08Å
150	N	34.1	Very low	34.5	Very low	148 Å²	148	140.7 Å²	140.7	79%	0.791	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	1	-175.6	-70.1	-12.2	0	0	0	114.6	N148 K152	N148-N150 PolarHBondContact O-N 3.16Å; N148-N150 VanDerWaalsContact O-N 3.08Å; N150-K152 PolarHBondContact O-N 3.12Å
151	Q	33.3	Very low	35.4	Very low	170 Å²	170	137.9 Å²	137.9	79%	0.794	73%	0.733	S	S	*	*	S	Bend	trans	-90.9	103.2	165.7	-90.2	169.8	-11.2	0	0	108.9	P153	Q151-P153 WeakPolarHBondContact O-CD 3.49Å; Q151-P153 VanDerWaalsContact O-N 3.11Å
152	K	32.8	Very low	36.1	Very low	193 Å²	193	136.6 Å²	136.6	84%	0.839	72%	0.717	S	S	*	*			trans	-45	121.3	156.3	-82.9	-177.6	176.8	-179.5	0	106.3	N150 K154	N150-K152 PolarHBondContact O-N 3.12Å; K152-K154 PolarHBondContact O-N 3.01Å
153	P	36.4	Very low	37	Very low	111 Å²	111	134.4 Å²	134.4	72%	0.721	71%	0.706	S	S	*	*			trans	-59.9	106.5	176.8	22	-28.8	0	0	0	106.3	Q151 A155	Q151-P153 WeakPolarHBondContact O-CD 3.49Å; Q151-P153 VanDerWaalsContact O-N 3.11Å; P153-A155 VanDerWaalsContact C-N 3.32Å; P153-A155 PolarHBondContact O-N 3.09Å
154	K	36.6	Very low	37.9	Very low	192 Å²	192	133.8 Å²	133.8	84%	0.835	70%	0.699	S	S	*	*			trans	-55.4	109.4	161.8	-81.7	-176.1	177.8	-178.9	0	103.7	K152 V156	K152-K154 PolarHBondContact O-N 3.01Å; K154-V156 VanDerWaalsContact C-N 3.3Å; K154-V156 WeakPolarHBondContact O-CG2 3.47Å; K154-V156 PolarHBondContact O-N 2.99Å
155	A	37.6	Very low	39.2	Very low	83 Å²	83	134.4 Å²	134.4	69%	0.686	69%	0.694	S	S	*	*			trans	-19.5	88.8	-176.2	0	0	0	0	0	111.8	P153 Y157	P153-A155 VanDerWaalsContact C-N 3.32Å; P153-A155 PolarHBondContact O-N 3.09Å; A155-Y157 PolarHBondContact O-N 3.29Å
156	V	39.3	Very low	41	Very low	90 Å²	90	133.7 Å²	133.7	55%	0.545	68%	0.679	S	S	.	*			trans	-83.2	50.4	173.5	-167.6	0	0	0	0	106.2	K154 S158 H159	K154-V156 VanDerWaalsContact C-N 3.3Å; K154-V156 WeakPolarHBondContact O-CG2 3.47Å; K154-V156 PolarHBondContact O-N 2.99Å; V156-S158 PolarHBondContact O-N 3.33Å; V156-H159 VanDerWaalsContact CG1-CD2 3.43Å; V156-H159 WeakPolarHBondContact CG1-CD2 3.07Å
157	Y	35.8	Very low	43	Very low	224 Å²	224	128.5 Å²	128.5	88%	0.878	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	66.1	162.9	-86.3	-80	0	0	0	106.9	A155	A155-Y157 PolarHBondContact O-N 3.29Å
158	S	38.6	Very low	44.8	Very low	85 Å²	85	124.1 Å²	124.1	59%	0.594	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-163.4	12.5	165.7	73	0	0	0	0	114.8	V156 I160	V156-S158 PolarHBondContact O-N 3.33Å; S158-I160 PolarHBondContact O-N 3.02Å
159	H	44.1	Very low	46.3	Very low	154 Å²	154	119 Å²	119	71%	0.713	62%	0.62	S	S	*	*			trans	-78.5	74.8	150.6	-60.9	-50.9	0	0	0	105.9	V156 S161	V156-H159 VanDerWaalsContact CG1-CD2 3.43Å; V156-H159 WeakPolarHBondContact CG1-CD2 3.07Å; H159-S161 PolarHBondContact O-N 2.9Å
160	I	43	Very low	47.6	Very low	150 Å²	150	115.8 Å²	115.8	77%	0.769	61%	0.606	S	S	*	*			trans	-55.7	83.7	138.2	-60.9	160.4	0	0	0	102.1	S158 N162	S158-I160 PolarHBondContact O-N 3.02Å; I160-N162 PolarHBondContact O-N 3.06Å
161	S	47.4	Very low	49.7	Very low	65 Å²	65	115.9 Å²	115.9	46%	0.455	60%	0.595	S	S	.	*			trans	-45.2	122	159.9	23.6	0	0	0	0	103	H159	H159-S161 PolarHBondContact O-N 2.9Å
162	N	46.9	Very low	52	Low	75 Å²	75	114 Å²	114	40%	0.401	58%	0.581	S	S	.	*			trans	-42.2	133.6	179.2	-171.4	4.7	0	0	0	105.6	I160 E164 D165 D166	I160-N162 PolarHBondContact O-N 3.06Å; N162-E164 HydrophobicContact CB-CB 4.49Å; N162-E164 CarbonylContact O-C 3.55Å; N162-E164 PolarHBondContact O-N 3.08Å; N162-D165 WeakPolarHBondContact CB-OD2 3.35Å; N162-D165 PolarHBondContact N-OD2 3.33Å; N162-D165 WeakPolarHBondContact O-CA 3.49Å; N162-D165 WeakPolarHBondContact O-CB 3.43Å; N162-D165 PolarHBondContact O-N 3.15Å; N162-D166 PolarHBondContact O-N 2.96Å
163	P	48.1	Very low	54.1	Low	87 Å²	87	108.9 Å²	108.9	57%	0.565	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.9	-17.7	178.3	17.5	-32.4	0	0	0	112.5
164	E	49.3	Very low	56.3	Low	129 Å²	129	111.5 Å²	111.5	60%	0.603	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-37.1	164.5	-57.6	-169.8	164	0	0	114.1	N162 D166 Q170	N162-E164 HydrophobicContact CB-CB 4.49Å; N162-E164 CarbonylContact O-C 3.55Å; N162-E164 PolarHBondContact O-N 3.08Å; E164-D166 VanDerWaalsContact C-N 3.33Å; E164-D166 PolarHBondContact O-N 3.49Å; E164-Q170 VanDerWaalsContact O-CG 3.23Å; E164-Q170 WeakPolarHBondContact O-CG 3.31Å; E164-Q170 PolarHBondContact O-NE2 2.9Å
165	D	56.7	Low	58.3	Low	110 Å²	110	109 Å²	109	59%	0.588	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-21.4	175	-58.7	-36.7	0	0	0	113.4	N162 I167	N162-D165 WeakPolarHBondContact CB-OD2 3.35Å; N162-D165 PolarHBondContact N-OD2 3.33Å; N162-D165 WeakPolarHBondContact O-CA 3.49Å; N162-D165 WeakPolarHBondContact O-CB 3.43Å; N162-D165 PolarHBondContact O-N 3.15Å; D165-I167 PolarHBondContact O-N 3.18Å
166	D	67.1	Low	60.4	Low	68 Å²	68	112.4 Å²	112.4	36%	0.364	54%	0.538	S	S	.	.			trans	-74.5	93.2	172.9	-177.7	-4.5	0	0	0	109.7	N162 E164 L168 A169 Q170	N162-D166 PolarHBondContact O-N 2.96Å; E164-D166 VanDerWaalsContact C-N 3.33Å; E164-D166 PolarHBondContact O-N 3.49Å; D166-L168 PolarHBondContact O-N 3.09Å; D166-L168 VanDerWaalsContact O-N 3.08Å; D166-L168 WeakPolarHBondContact OD1-CB 3.39Å; D166-L168 PolarHBondContact OD1-N 3.35Å; D166-A169 HydrophobicContact CB-CB 3.78Å; D166-A169 CarbonylContact O-C 3.58Å; D166-A169 WeakPolarHBondContact O-CA 3.32Å; D166-A169 WeakPolarHBondContact O-CB 3.37Å; D166-A169 PolarHBondContact O-N 2.88Å; D166-A169 PolarHBondContact OD1-N 3.33Å; D166-Q170 PolarHBondContact O-N 2.97Å
167	I	71.8	Confident	62	Low	86 Å²	86	113.4 Å²	113.4	44%	0.441	54%	0.538	S	S	.	.	H	α-helix	trans	-49.9	-36.2	178.4	-59.9	173.3	0	0	0	111.4	D165 Q170 W171 W409	D165-I167 PolarHBondContact O-N 3.18Å; I167-Q170 PolarHBondContact O-N 3.5Å; I167-W171 WeakPolarHBondContact O-CB 3.47Å; I167-W171 PolarHBondContact O-N 2.98Å; I167-W409 HydrophobicContact CD1-CZ3 4.33Å
168	L	70.9	Confident	63.8	Low	88 Å²	88	107.6 Å²	107.6	46%	0.461	52%	0.519	S	S	.	.	H	α-helix	trans	-73.2	-38.6	179.8	-171.6	62.1	0	0	0	111.2	D166 W171 R172	D166-L168 PolarHBondContact O-N 3.09Å; D166-L168 VanDerWaalsContact O-N 3.08Å; D166-L168 WeakPolarHBondContact OD1-CB 3.39Å; D166-L168 PolarHBondContact OD1-N 3.35Å; L168-W171 PolarHBondContact O-N 3.22Å; L168-R172 WeakPolarHBondContact O-CB 3.47Å; L168-R172 VanDerWaalsContact O-CG 3.26Å; L168-R172 WeakPolarHBondContact O-CG 3.44Å; L168-R172 PolarHBondContact O-N 3.38Å
169	A	63.2	Low	65.4	Low	27 Å²	27	108 Å²	108	22%	0.223	51%	0.511	C	S	.	.	H	α-helix	trans	-64.5	-43.1	172	0	0	0	0	0	111.8	D166 W171 R172 L173	D166-A169 HydrophobicContact CB-CB 3.78Å; D166-A169 CarbonylContact O-C 3.58Å; D166-A169 WeakPolarHBondContact O-CA 3.32Å; D166-A169 WeakPolarHBondContact O-CB 3.37Å; D166-A169 PolarHBondContact O-N 2.88Å; D166-A169 PolarHBondContact OD1-N 3.33Å; A169-W171 PolarHBondContact O-N 3Å; A169-R172 PolarHBondContact O-N 3.32Å; A169-L173 WeakPolarHBondContact O-CB 3.32Å; A169-L173 PolarHBondContact O-N 3.01Å
170	Q	67.6	Low	66.3	Low	96 Å²	96	102.6 Å²	102.6	45%	0.449	49%	0.494	S	S	.	.	H	α-helix	trans	-59.1	-46	174	-72.3	-161.3	-5.8	0	0	112	E164 D166 I167 R172 L173 R174	E164-Q170 VanDerWaalsContact O-CG 3.23Å; E164-Q170 WeakPolarHBondContact O-CG 3.31Å; E164-Q170 PolarHBondContact O-NE2 2.9Å; D166-Q170 PolarHBondContact O-N 2.97Å; I167-Q170 PolarHBondContact O-N 3.5Å; Q170-R172 PolarHBondContact O-N 3.43Å; Q170-L173 PolarHBondContact O-N 3.28Å; Q170-R174 WeakPolarHBondContact O-CB 3.41Å; Q170-R174 PolarHBondContact O-N 3.41Å
171	W	77.7	Confident	67.2	Low	150 Å²	150	104.3 Å²	104.3	57%	0.568	49%	0.49	S	S	*	.	H	α-helix	trans	-62.3	-44.3	178.7	-176.1	87.9	0	0	0	111.6	I167 L168 A169 L173 R174 R175	I167-W171 WeakPolarHBondContact O-CB 3.47Å; I167-W171 PolarHBondContact O-N 2.98Å; L168-W171 PolarHBondContact O-N 3.22Å; A169-W171 PolarHBondContact O-N 3Å; W171-L173 VanDerWaalsContact C-N 3.31Å; W171-L173 PolarHBondContact O-N 3.19Å; W171-R174 PolarHBondContact O-N 3.31Å; W171-R175 HydrophobicContact CH2-CG 4.3Å; W171-R175 HydrophobicContact CZ2-CG 4.11Å; W171-R175 PolarHBondContact O-N 3.21Å
172	R	82.1	Confident	67.6	Low	132 Å²	132	106.8 Å²	106.8	50%	0.498	50%	0.496	S	S	.	.	H	α-helix	trans	-62.4	-35.3	174.6	-72.8	171.5	-179.9	148.1	-3.6	112.6	L168 A169 Q170 R176	L168-R172 WeakPolarHBondContact O-CB 3.47Å; L168-R172 VanDerWaalsContact O-CG 3.26Å; L168-R172 WeakPolarHBondContact O-CG 3.44Å; L168-R172 PolarHBondContact O-N 3.38Å; A169-R172 PolarHBondContact O-N 3.32Å; Q170-R172 PolarHBondContact O-N 3.43Å; R172-R176 WeakPolarHBondContact O-CG 3.43Å; R172-R176 PolarHBondContact O-N 3.45Å; R172-R176 PolarHBondContact O-NE 3.26Å
173	L	76.7	Confident	68.4	Low	85 Å²	85	108.5 Å²	108.5	45%	0.445	50%	0.502	S	S	.	.	H	α-helix	trans	-71.4	-46.4	176.5	-177.7	63.2	0	0	0	111.3	A169 Q170 W171 R175 R176 M177	A169-L173 WeakPolarHBondContact O-CB 3.32Å; A169-L173 PolarHBondContact O-N 3.01Å; Q170-L173 PolarHBondContact O-N 3.28Å; W171-L173 VanDerWaalsContact C-N 3.31Å; W171-L173 PolarHBondContact O-N 3.19Å; L173-R175 VanDerWaalsContact C-N 3.35Å; L173-R175 PolarHBondContact O-N 2.87Å; L173-R176 WeakPolarHBondContact O-CB 3.44Å; L173-R176 PolarHBondContact O-N 3.15Å; L173-R176 VanDerWaalsContact O-N 3.1Å; L173-M177 HydrophobicContact CG-SD 4.44Å; L173-M177 PolarHBondContact O-N 3.45Å
174	R	81.2	Confident	68.6	Low	166 Å²	166	110.3 Å²	110.3	63%	0.626	51%	0.505	S	S	*	.	H	α-helix	trans	-57	-47.1	177.5	-174	178.4	-69.5	-147.8	1.1	111.4	Q170 W171 R176 M177 E178	Q170-R174 WeakPolarHBondContact O-CB 3.41Å; Q170-R174 PolarHBondContact O-N 3.41Å; W171-R174 PolarHBondContact O-N 3.31Å; R174-R176 VanDerWaalsContact C-N 3.31Å; R174-R176 PolarHBondContact O-N 3.4Å; R174-M177 PolarHBondContact O-N 3.2Å; R174-M177 VanDerWaalsContact O-N 3.16Å; R174-E178 WeakPolarHBondContact O-CG 3.42Å; R174-E178 PolarHBondContact O-N 2.89Å
175	R	78.8	Confident	68.9	Low	139 Å²	139	108 Å²	108	53%	0.525	50%	0.504	S	S	.	.	H	α-helix	trans	-57.8	-39.2	175.3	-89.2	-80.8	-105	146.8	-5.1	113.2	W171 L173 Q179	W171-R175 HydrophobicContact CH2-CG 4.3Å; W171-R175 HydrophobicContact CZ2-CG 4.11Å; W171-R175 PolarHBondContact O-N 3.21Å; L173-R175 VanDerWaalsContact C-N 3.35Å; L173-R175 PolarHBondContact O-N 2.87Å; R175-Q179 WeakPolarHBondContact O-CB 3.48Å; R175-Q179 PolarHBondContact O-N 3.49Å; R175-Q179 VanDerWaalsContact O-N 3.15Å
176	R	82.9	Confident	68.5	Low	154 Å²	154	108 Å²	108	58%	0.581	50%	0.498	S	S	*	.	H	α-helix	trans	-68.5	-40.8	176.3	-78.4	-177.7	-76	144.4	-7.8	112.2	R172 L173 R174 Q179 A180	R172-R176 WeakPolarHBondContact O-CG 3.43Å; R172-R176 PolarHBondContact O-N 3.45Å; R172-R176 PolarHBondContact O-NE 3.26Å; L173-R176 WeakPolarHBondContact O-CB 3.44Å; L173-R176 PolarHBondContact O-N 3.15Å; L173-R176 VanDerWaalsContact O-N 3.1Å; R174-R176 VanDerWaalsContact C-N 3.31Å; R174-R176 PolarHBondContact O-N 3.4Å; R176-Q179 PolarHBondContact O-N 2.88Å; R176-A180 WeakPolarHBondContact O-CB 3.35Å; R176-A180 PolarHBondContact O-N 2.71Å
177	M	72.8	Confident	67.6	Low	111 Å²	111	112.5 Å²	112.5	55%	0.547	52%	0.517	S	S	.	.	H	α-helix	trans	-66.4	-42.7	177.5	-70.2	-177.5	68.7	0	0	112.4	L173 R174 Q179 A180 R181	L173-M177 HydrophobicContact CG-SD 4.44Å; L173-M177 PolarHBondContact O-N 3.45Å; R174-M177 PolarHBondContact O-N 3.2Å; R174-M177 VanDerWaalsContact O-N 3.16Å; M177-Q179 VanDerWaalsContact C-N 3.33Å; M177-Q179 PolarHBondContact O-N 3.4Å; M177-A180 PolarHBondContact O-N 2.9Å; M177-R181 WeakPolarHBondContact O-CG 3.33Å; M177-R181 PolarHBondContact O-N 3.43Å
178	E	74	Confident	66.1	Low	103 Å²	103	113.2 Å²	113.2	48%	0.481	53%	0.53	S	S	.	.	H	α-helix	trans	-60.5	-43.5	175.4	-75.8	170.6	-177.7	0	0	111.8	R174 R181 M182	R174-E178 WeakPolarHBondContact O-CG 3.42Å; R174-E178 PolarHBondContact O-N 2.89Å; E178-R181 PolarHBondContact O-N 2.95Å; E178-M182 PolarHBondContact O-N 3.27Å
179	Q	71.7	Confident	64.2	Low	92 Å²	92	116 Å²	116	43%	0.43	54%	0.535	S	S	.	.	H	α-helix	trans	-62.6	-45.7	176.4	-174.8	168.9	-11.9	0	0	111.8	R175 R176 M177 R181 M182 E183	R175-Q179 WeakPolarHBondContact O-CB 3.48Å; R175-Q179 PolarHBondContact O-N 3.49Å; R175-Q179 VanDerWaalsContact O-N 3.15Å; R176-Q179 PolarHBondContact O-N 2.88Å; M177-Q179 VanDerWaalsContact C-N 3.33Å; M177-Q179 PolarHBondContact O-N 3.4Å; Q179-R181 VanDerWaalsContact C-N 3.34Å; Q179-R181 PolarHBondContact O-N 3.36Å; Q179-M182 PolarHBondContact O-N 3.43Å; Q179-E183 PolarHBondContact NE2-OE1 2.94Å; Q179-E183 WeakPolarHBondContact O-CG 3.38Å; Q179-E183 PolarHBondContact O-N 3.33Å
180	A	62	Low	63.1	Low	42 Å²	42	120.2 Å²	120.2	35%	0.347	56%	0.56	S	S	.	*	H	α-helix	trans	-62.3	-38.5	176.3	0	0	0	0	0	112.5	R176 M177 E183 I184	R176-A180 WeakPolarHBondContact O-CB 3.35Å; R176-A180 PolarHBondContact O-N 2.71Å; M177-A180 PolarHBondContact O-N 2.9Å; A180-E183 PolarHBondContact O-N 3.37Å; A180-I184 VanDerWaalsContact O-CG1 3.31Å; A180-I184 WeakPolarHBondContact O-CG1 3.45Å; A180-I184 PolarHBondContact O-N 2.86Å
181	R	61.8	Low	61.4	Low	186 Å²	186	126.6 Å²	126.6	70%	0.702	58%	0.58	S	S	*	*	H	α-helix	trans	-63.8	-41.1	174.7	-73.7	179.8	90.5	122.2	2.2	111.7	M177 E178 Q179 E183 I184 S185	M177-R181 WeakPolarHBondContact O-CG 3.33Å; M177-R181 PolarHBondContact O-N 3.43Å; E178-R181 PolarHBondContact O-N 2.95Å; Q179-R181 VanDerWaalsContact C-N 3.34Å; Q179-R181 PolarHBondContact O-N 3.36Å; R181-E183 VanDerWaalsContact C-N 3.31Å; R181-E183 PolarHBondContact O-N 3.38Å; R181-I184 PolarHBondContact O-N 2.99Å; R181-S185 VanDerWaalsContact O-CB 3.29Å; R181-S185 WeakPolarHBondContact O-CB 3.47Å; R181-S185 PolarHBondContact O-N 2.97Å; R181-S185 PolarHBondContact O-OG 3.31Å
182	M	57	Low	59.4	Low	116 Å²	116	124 Å²	124	57%	0.571	59%	0.585	S	S	*	*	H	α-helix	trans	-62	-40.2	175	-79.7	-152.6	-69.6	0	0	111.9	E178 Q179 S185 K186	E178-M182 PolarHBondContact O-N 3.27Å; Q179-M182 PolarHBondContact O-N 3.43Å; M182-S185 WeakPolarHBondContact CA-OG 3.41Å; M182-S185 PolarHBondContact O-OG 3.18Å; M182-K186 WeakPolarHBondContact O-CG 3.36Å; M182-K186 PolarHBondContact O-N 3.27Å
183	E	63.8	Low	56.9	Low	111 Å²	111	123.3 Å²	123.3	52%	0.519	59%	0.592	S	S	.	*	H	α-helix	trans	-66.2	-47.8	177.7	-71	170.1	-166.1	0	0	111.9	Q179 A180 R181 S185 K186 E187	Q179-E183 PolarHBondContact NE2-OE1 2.94Å; Q179-E183 WeakPolarHBondContact O-CG 3.38Å; Q179-E183 PolarHBondContact O-N 3.33Å; A180-E183 PolarHBondContact O-N 3.37Å; R181-E183 VanDerWaalsContact C-N 3.31Å; R181-E183 PolarHBondContact O-N 3.38Å; E183-S185 VanDerWaalsContact C-N 3.32Å; E183-S185 PolarHBondContact O-N 2.58Å; E183-K186 PolarHBondContact O-N 2.9Å; E183-K186 VanDerWaalsContact O-N 3.15Å; E183-E187 PolarHBondContact O-N 3.45Å
184	I	52.9	Low	54.7	Low	125 Å²	125	127.1 Å²	127.1	64%	0.641	61%	0.607	S	S	*	*	H	α-helix	trans	-63.2	-39.6	177.3	-63.1	162.6	0	0	0	111.1	A180 R181 K186 E187	A180-I184 VanDerWaalsContact O-CG1 3.31Å; A180-I184 WeakPolarHBondContact O-CG1 3.45Å; A180-I184 PolarHBondContact O-N 2.86Å; R181-I184 PolarHBondContact O-N 2.99Å; I184-K186 PolarHBondContact O-N 3.33Å; I184-E187 PolarHBondContact O-N 2.97Å; I184-E187 VanDerWaalsContact O-N 3.12Å
185	S	53.5	Low	52.2	Low	82 Å²	82	129.1 Å²	129.1	57%	0.573	62%	0.616	S	S	*	*	H	α-helix	trans	-64.4	-27.8	178.4	72.6	0	0	0	0	113	R181 M182 E183	R181-S185 VanDerWaalsContact O-CB 3.29Å; R181-S185 WeakPolarHBondContact O-CB 3.47Å; R181-S185 PolarHBondContact O-N 2.97Å; R181-S185 PolarHBondContact O-OG 3.31Å; M182-S185 WeakPolarHBondContact CA-OG 3.41Å; M182-S185 PolarHBondContact O-OG 3.18Å; E183-S185 VanDerWaalsContact C-N 3.32Å; E183-S185 PolarHBondContact O-N 2.58Å
186	K	49.7	Very low	49.7	Very low	109 Å²	109	128 Å²	128	47%	0.474	63%	0.625	S	S	.	*	H	α-helix	trans	-76.2	-25.7	175.1	-74.2	175	-177.9	178.6	0	112.5	M182 E183 I184 S188 Y189	M182-K186 WeakPolarHBondContact O-CG 3.36Å; M182-K186 PolarHBondContact O-N 3.27Å; E183-K186 PolarHBondContact O-N 2.9Å; E183-K186 VanDerWaalsContact O-N 3.15Å; I184-K186 PolarHBondContact O-N 3.33Å; K186-S188 VanDerWaalsContact C-N 3.33Å; K186-Y189 WeakPolarHBondContact O-CD2 3.18Å; K186-Y189 WeakPolarHBondContact O-CE2 3.47Å
187	E	48	Very low	47	Very low	162 Å²	162	129.5 Å²	129.5	76%	0.757	64%	0.638	S	S	*	*	H	α-helix	trans	-80.9	-14.1	-179.1	-153.4	67.1	-146.1	0	0	112.9	E183 I184 Y189	E183-E187 PolarHBondContact O-N 3.45Å; I184-E187 PolarHBondContact O-N 2.97Å; I184-E187 VanDerWaalsContact O-N 3.12Å; E187-Y189 PolarHBondContact O-N 3.31Å
188	S	39.2	Very low	44.7	Very low	102 Å²	102	131.1 Å²	131.1	71%	0.713	65%	0.649	S	S	*	*			trans	-81.1	48.2	175.2	-172.2	0	0	0	0	112.4	K186	K186-S188 VanDerWaalsContact C-N 3.33Å
189	Y	32.9	Very low	42.3	Very low	146 Å²	146	130.8 Å²	130.8	57%	0.573	66%	0.663	S	S	*	*			trans	-80.8	131.6	162.2	-83.2	-76.4	0	0	0	109.4	K186 E187 R191 R320	K186-Y189 WeakPolarHBondContact O-CD2 3.18Å; K186-Y189 WeakPolarHBondContact O-CE2 3.47Å; E187-Y189 PolarHBondContact O-N 3.31Å; Y189-R191 PolarHBondContact O-N 3.19Å; Y189-R320 PolarHBondContact OH-NH1 2.97Å; Y189-R320 PolarHBondContact OH-NH2 2.9Å
190	P	38.1	Very low	40.1	Very low	115 Å²	115	131.4 Å²	131.4	75%	0.747	67%	0.673	S	S	*	*			trans	-62.2	116.7	174.3	24.6	-30.5	0	0	0	108.6	S192	P190-S192 VanDerWaalsContact C-N 3.26Å; P190-S192 PolarHBondContact O-N 2.89Å
191	R	32.9	Very low	38.4	Very low	230 Å²	230	135 Å²	135	87%	0.868	69%	0.694	S	S	*	*			trans	-53.7	86.8	169.8	-165.8	178.2	-168.9	155.5	1.2	108.6	Y189 N193	Y189-R191 PolarHBondContact O-N 3.19Å; R191-N193 PolarHBondContact O-N 3.35Å; R191-N193 VanDerWaalsContact O-N 3.09Å
192	S	34.9	Very low	36.6	Very low	96 Å²	96	135.8 Å²	135.8	67%	0.671	70%	0.702	S	S	*	*			trans	-65.9	110.4	167.9	50.5	0	0	0	0	106.6	P190 E194	P190-S192 VanDerWaalsContact C-N 3.26Å; P190-S192 PolarHBondContact O-N 2.89Å; S192-E194 PolarHBondContact O-N 3.03Å
193	N	30.3	Very low	35.1	Very low	118 Å²	118	135.5 Å²	135.5	63%	0.631	71%	0.712	S	S	*	*			trans	-64.3	71.1	175.4	-72.7	-27.7	0	0	0	110.2	R191 Y195	R191-N193 PolarHBondContact O-N 3.35Å; R191-N193 VanDerWaalsContact O-N 3.09Å; N193-Y195 HydrophobicContact CB-CD2 4.25Å; N193-Y195 HydrophobicContact CB-CE2 3.96Å; N193-Y195 PolarHBondContact O-N 3.36Å
194	E	30.6	Very low	33.1	Very low	165 Å²	165	135.2 Å²	135.2	77%	0.771	72%	0.722	S	S	*	*			trans	-89.9	93	162.4	-72.9	-170.1	173.6	0	0	107.3	S192 T196	S192-E194 PolarHBondContact O-N 3.03Å; E194-T196 PolarHBondContact O-N 3.39Å
195	Y	27.8	Very low	31.8	Very low	207 Å²	207	136.6 Å²	136.6	81%	0.812	73%	0.729	S	S	*	*			trans	-56.3	82.2	168.6	-73.7	-97.8	0	0	0	109.9	N193 Q197	N193-Y195 HydrophobicContact CB-CD2 4.25Å; N193-Y195 HydrophobicContact CB-CE2 3.96Å; N193-Y195 PolarHBondContact O-N 3.36Å; Y195-Q197 PolarHBondContact O-N 3.17Å
196	T	28	Very low	30.5	Very low	116 Å²	116	138.8 Å²	138.8	71%	0.712	74%	0.739	S	S	*	*			trans	-77.9	89	160.1	-38.1	0	0	0	0	107.1	E194 L198	E194-T196 PolarHBondContact O-N 3.39Å; T196-L198 PolarHBondContact O-N 3.49Å
197	Q	24.8	Very low	29.3	Very low	185 Å²	185	140.5 Å²	140.5	86%	0.864	75%	0.752	S	S	*	*			trans	-64.1	82.3	176.8	-162.2	174.8	44.4	0	0	109	Y195 A199	Y195-Q197 PolarHBondContact O-N 3.17Å; Q197-A199 VanDerWaalsContact C-N 3.34Å; Q197-A199 PolarHBondContact O-N 3.3Å
198	L	25.1	Very low	28.3	Very low	146 Å²	146	138.2 Å²	138.2	76%	0.764	75%	0.752	S	S	*	*			trans	-73.9	94.4	168.5	-75.5	168.8	0	0	0	107.6	T196 T200	T196-L198 PolarHBondContact O-N 3.49Å; L198-T200 VanDerWaalsContact C-N 3.28Å; L198-T200 PolarHBondContact O-N 3.44Å; L198-T200 PolarHBondContact O-OG1 3.5Å
199	A	23.2	Very low	27.6	Very low	95 Å²	95	142.6 Å²	142.6	79%	0.785	76%	0.761	S	S	*	*			trans	-57.5	90.4	169.4	0	0	0	0	0	109.4	Q197	Q197-A199 VanDerWaalsContact C-N 3.34Å; Q197-A199 PolarHBondContact O-N 3.3Å
200	T	25.2	Very low	27.2	Very low	105 Å²	105	146.6 Å²	146.6	64%	0.644	78%	0.777	S	S	*	*			trans	-97.3	119.8	165.2	16.4	0	0	0	0	107.1	L198 F202	L198-T200 VanDerWaalsContact C-N 3.28Å; L198-T200 PolarHBondContact O-N 3.44Å; L198-T200 PolarHBondContact O-OG1 3.5Å; T200-F202 PolarHBondContact O-N 3.12Å; T200-F202 VanDerWaalsContact O-N 3.14Å
201	P	25.9	Very low	26.5	Very low	119 Å²	119	145.4 Å²	145.4	77%	0.773	77%	0.771	S	S	*	*			trans	-66.1	115.6	-178.3	24.5	-30.3	0	0	0	109.2	S203	P201-S203 PolarHBondContact O-N 2.89Å
202	F	24.3	Very low	26	Very low	202 Å²	202	143.6 Å²	143.6	89%	0.886	77%	0.773	S	S	*	*			trans	-62.9	100.9	172.2	-72.5	-91.9	0	0	0	109.3	T200 S204	T200-F202 PolarHBondContact O-N 3.12Å; T200-F202 VanDerWaalsContact O-N 3.14Å; F202-S204 PolarHBondContact O-N 3.41Å
203	S	25.1	Very low	25.6	Very low	110 Å²	110	147.7 Å²	147.7	77%	0.769	78%	0.779	S	S	*	*			trans	-76.8	98.6	154.6	-62.2	0	0	0	0	107.3	P201 I205	P201-S203 PolarHBondContact O-N 2.89Å; S203-I205 PolarHBondContact O-N 2.82Å; S203-I205 VanDerWaalsContact O-N 3.12Å
204	S	23.4	Very low	25.3	Very low	104 Å²	104	147.4 Å²	147.4	73%	0.727	78%	0.783	S	S	*	*			trans	-45.7	106.7	171.1	45.5	0	0	0	0	112	F202 T206	F202-S204 PolarHBondContact O-N 3.41Å; S204-T206 PolarHBondContact O-N 3.1Å
205	I	25.3	Very low	24.9	Very low	155 Å²	155	146.3 Å²	146.3	80%	0.795	78%	0.783	S	S	*	*			trans	-80	101.6	159	-64.4	173.6	0	0	0	106	S203 L207	S203-I205 PolarHBondContact O-N 2.82Å; S203-I205 VanDerWaalsContact O-N 3.12Å; I205-L207 PolarHBondContact O-N 3.04Å; I205-L207 VanDerWaalsContact O-N 3.15Å
206	T	26.3	Very low	24.7	Very low	128 Å²	128	143.8 Å²	143.8	79%	0.785	78%	0.778	S	S	*	*			trans	-61.5	107.9	173.9	-27.6	0	0	0	0	108.5	S204	S204-T206 PolarHBondContact O-N 3.1Å
207	L	24.6	Very low	24.6	Very low	144 Å²	144	146 Å²	146	75%	0.754	79%	0.786	S	S	*	*			trans	-65.1	134.7	169.6	-107.1	77.3	0	0	0	109	I205 Q209	I205-L207 PolarHBondContact O-N 3.04Å; I205-L207 VanDerWaalsContact O-N 3.15Å; L207-Q209 PolarHBondContact O-N 3.47Å
208	P	26.4	Very low	24.5	Very low	115 Å²	115	146.8 Å²	146.8	75%	0.747	79%	0.786	S	S	*	*			trans	-62	123.1	175.2	-17.3	29.4	0	0	0	110.3	Y210	P208-Y210 PolarHBondContact O-N 2.98Å; P208-Y210 VanDerWaalsContact O-N 3.16Å
209	Q	24.8	Very low	24.6	Very low	194 Å²	194	146.5 Å²	146.5	91%	0.907	79%	0.791	S	S	*	*			trans	-57.1	114.4	172.6	-72.3	170.5	-41.7	0	0	109.5	L207 S211	L207-Q209 PolarHBondContact O-N 3.47Å; Q209-S211 PolarHBondContact O-N 3.38Å; Q209-S211 VanDerWaalsContact O-N 3.14Å
210	Y	24.1	Very low	24.6	Very low	229 Å²	229	146.4 Å²	146.4	90%	0.898	78%	0.784	S	S	*	*			trans	-62.9	113.1	166.1	-99.9	-96.6	0	0	0	108.7	P208 Q212	P208-Y210 PolarHBondContact O-N 2.98Å; P208-Y210 VanDerWaalsContact O-N 3.16Å; Y210-Q212 PolarHBondContact O-N 2.87Å
211	S	24.3	Very low	24.4	Very low	90 Å²	90	152.3 Å²	152.3	63%	0.629	80%	0.796	S	S	*	*			trans	-58.7	115.4	173.3	55.8	0	0	0	0	110.4	Q209 F213	Q209-S211 PolarHBondContact O-N 3.38Å; Q209-S211 VanDerWaalsContact O-N 3.14Å; S211-F213 PolarHBondContact O-N 2.73Å
212	Q	22	Very low	24.5	Very low	193 Å²	193	153.6 Å²	153.6	90%	0.902	80%	0.797	S	S	*	*			trans	-62.1	103.8	175.1	-166.7	170.4	10.4	0	0	109.9	Y210	Y210-Q212 PolarHBondContact O-N 2.87Å
213	F	25.5	Very low	24.4	Very low	182 Å²	182	151.8 Å²	151.8	80%	0.798	80%	0.796	S	S	*	*			trans	-78	141.9	169.8	-85.6	-82	0	0	0	110.8	S211	S211-F213 PolarHBondContact O-N 2.73Å
214	P	24.8	Very low	24.4	Very low	112 Å²	112	151.9 Å²	151.9	73%	0.727	79%	0.793	S	S	*	*			trans	-87.6	129.8	-169.9	3.6	16.8	0	0	0	111.7
215	N	21.3	Very low	24.5	Very low	141 Å²	141	152 Å²	152	75%	0.754	79%	0.794	S	S	*	*				54.2	126.1	126.2	-115.9	-9.3	0	0	0	120.1
216	Q	24.2	Very low	24.4	Very low	154 Å²	154	152.5 Å²	152.5	72%	0.72	80%	0.797	S	S	*	*			trans	83.9	107.8	149.4	-50.7	-174.3	13.5	0	0	117.8
217	N	26.9	Very low	24.4	Very low	163 Å²	163	151.9 Å²	151.9	87%	0.872	80%	0.796	S	S	*	*				-162.7	129.2	114.2	-89.7	-28.4	0	0	0	112
218	K	22.6	Very low	24.4	Very low	202 Å²	202	153.4 Å²	153.4	88%	0.878	80%	0.8	S	S	*	*			trans	-69.7	121	174	-64.3	163.9	174.9	173.2	0	109.3
219	T	26.4	Very low	24.3	Very low	140 Å²	140	153.1 Å²	153.1	86%	0.859	80%	0.8	S	S	*	*			trans	-170.4	130	141.1	8.2	0	0	0	0	113.2
220	S	23.2	Very low	24.4	Very low	92 Å²	92	149.5 Å²	149.5	64%	0.643	79%	0.792	S	S	*	*			trans	64.2	102.9	148.7	-132	0	0	0	0	120.1	N222	S220-N222 PolarHBondContact O-N 2.91Å; S220-N222 VanDerWaalsContact O-N 3.14Å
221	Y	21.9	Very low	24.4	Very low	230 Å²	230	148.3 Å²	148.3	90%	0.902	79%	0.791	S	S	*	*			trans	-61.2	101.8	156.1	-61.2	-90.5	0	0	0	109.5
222	N	26.5	Very low	24.6	Very low	145 Å²	145	152.2 Å²	152.2	78%	0.775	80%	0.799	S	S	*	*			trans	-106.2	119.4	160.1	-82	-38.9	0	0	0	108.2	S220	S220-N222 PolarHBondContact O-N 2.91Å; S220-N222 VanDerWaalsContact O-N 3.14Å
223	L	22.4	Very low	24.9	Very low	165 Å²	165	147.7 Å²	147.7	86%	0.864	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-54.6	155.2	172.9	-121.2	69.9	0	0	0	111
224	P	25.4	Very low	25	Very low	111 Å²	111	146.9 Å²	146.9	72%	0.721	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-77.9	129.8	-152.9	26	-25.5	0	0	0	112.2	I226	P224-I226 PolarHBondContact O-N 3.23Å
225	S	24.9	Very low	25.2	Very low	106 Å²	106	150.2 Å²	150.2	74%	0.741	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-64.1	126.9	155.7	-83.8	0	0	0	0	108.2	C227	S225-C227 PolarHBondContact O-N 2.96Å
226	I	24.7	Very low	25.4	Very low	167 Å²	167	149.1 Å²	149.1	86%	0.856	80%	0.8	S	S	*	*			trans	-58.8	85.9	168.4	-65.8	159.8	0	0	0	106.7	P224 Q228	P224-I226 PolarHBondContact O-N 3.23Å; I226-Q228 PolarHBondContact O-N 2.77Å
227	C	25.2	Very low	25.5	Very low	114 Å²	114	150.3 Å²	150.3	77%	0.77	80%	0.803	S	S	*	*			trans	-72.5	115	170.5	-71.6	0	0	0	0	107	S225 S229	S225-C227 PolarHBondContact O-N 2.96Å; C227-S229 PolarHBondContact O-N 3.06Å
228	Q	24.4	Very low	25.5	Very low	177 Å²	177	148.3 Å²	148.3	83%	0.827	80%	0.799	S	S	*	*			trans	-43.2	121.5	175.2	-68.8	164.1	-22	0	0	110.1	I226 T230	I226-Q228 PolarHBondContact O-N 2.77Å; Q228-T230 VanDerWaalsContact C-N 3.33Å; Q228-T230 PolarHBondContact O-N 2.84Å
229	S	23.9	Very low	25.5	Very low	108 Å²	108	145.9 Å²	145.9	76%	0.755	79%	0.794	S	S	*	*			trans	-60.3	95.8	169.7	168.7	0	0	0	0	108.2	C227 F231	C227-S229 PolarHBondContact O-N 3.06Å; S229-F231 PolarHBondContact O-N 2.62Å; S229-F231 VanDerWaalsContact O-N 3.14Å
230	T	27.3	Very low	25.4	Very low	119 Å²	119	148 Å²	148	73%	0.73	79%	0.791	S	S	*	*			trans	-63.4	110.7	158.2	27.8	0	0	0	0	106.6	Q228 E232	Q228-T230 VanDerWaalsContact C-N 3.33Å; Q228-T230 PolarHBondContact O-N 2.84Å; T230-E232 PolarHBondContact O-N 3.22Å
231	F	24.5	Very low	25.4	Very low	204 Å²	204	150.5 Å²	150.5	90%	0.895	80%	0.796	S	S	*	*			trans	-49.8	87.1	166.3	-114.4	-103.9	0	0	0	109	S229 S233	S229-F231 PolarHBondContact O-N 2.62Å; S229-F231 VanDerWaalsContact O-N 3.14Å; F231-S233 PolarHBondContact O-N 3.32Å; F231-S233 VanDerWaalsContact O-N 3.09Å
232	E	29.1	Very low	25.6	Very low	171 Å²	171	147.7 Å²	147.7	80%	0.799	79%	0.791	S	S	*	*			trans	-72.9	100.7	164.2	-83.8	-171.1	156.1	0	0	106.7	T230 N234	T230-E232 PolarHBondContact O-N 3.22Å; E232-N234 PolarHBondContact O-N 2.88Å
233	S	27.5	Very low	25.6	Very low	99 Å²	99	147.5 Å²	147.5	69%	0.692	79%	0.788	S	S	*	*			trans	-52.7	110.6	169.5	56.8	0	0	0	0	108.6	F231 K235	F231-S233 PolarHBondContact O-N 3.32Å; F231-S233 VanDerWaalsContact O-N 3.09Å; S233-K235 PolarHBondContact O-N 2.98Å
234	N	28.1	Very low	25.8	Very low	164 Å²	164	148.6 Å²	148.6	88%	0.877	79%	0.786	S	S	*	*			trans	-51.1	97.8	175.1	-69.7	-49.9	0	0	0	110.1	E232 S236	E232-N234 PolarHBondContact O-N 2.88Å; N234-S236 PolarHBondContact O-N 2.92Å
235	K	28.1	Very low	26	Very low	182 Å²	182	151.1 Å²	151.1	79%	0.791	79%	0.793	S	S	*	*			trans	-64.8	105.9	167	-88.7	179.9	176.1	175.1	0	107.1	S233 F237	S233-K235 PolarHBondContact O-N 2.98Å; K235-F237 PolarHBondContact O-N 3.08Å; K235-F237 VanDerWaalsContact O-N 3.17Å
236	S	26.2	Very low	26	Very low	118 Å²	118	151.1 Å²	151.1	83%	0.825	79%	0.789	S	S	*	*			trans	-59.3	115.2	173.5	-177.4	0	0	0	0	109.4	N234	N234-S236 PolarHBondContact O-N 2.92Å
237	F	25.9	Very low	25.9	Very low	179 Å²	179	152.7 Å²	152.7	79%	0.785	79%	0.785	S	S	*	*			trans	-71.2	134.4	174.1	-67.9	-85.1	0	0	0	109.8	K235 I239	K235-F237 PolarHBondContact O-N 3.08Å; K235-F237 VanDerWaalsContact O-N 3.17Å; F237-I239 PolarHBondContact O-N 2.89Å
238	P	26.8	Very low	26	Very low	121 Å²	121	152.6 Å²	152.6	79%	0.786	78%	0.781	S	S	*	*			trans	-66	119.5	175.6	24.5	-30.7	0	0	0	110.2	K240	P238-K240 PolarHBondContact O-N 3.48Å
239	I	23.4	Very low	26	Very low	152 Å²	152	151.9 Å²	151.9	78%	0.779	78%	0.778	S	S	*	*			trans	-73.8	114.3	176.1	-64.1	170.7	0	0	0	108.2	F237 I241	F237-I239 PolarHBondContact O-N 2.89Å; I239-I241 HydrophobicContact CG2-CG1 4.19Å; I239-I241 PolarHBondContact O-N 3.33Å
240	K	24.6	Very low	26	Very low	185 Å²	185	151.4 Å²	151.4	80%	0.804	77%	0.773	S	S	*	*			trans	-75	116.1	170.1	-77.4	-177.4	178.3	-179.2	0	109.2	P238	P238-K240 PolarHBondContact O-N 3.48Å
241	I	22.9	Very low	25.9	Very low	144 Å²	144	151.9 Å²	151.9	74%	0.738	77%	0.771	S	S	*	*			trans	-98.9	117.5	174.1	-56.8	173.8	0	0	0	107.6	I239 I243	I239-I241 HydrophobicContact CG2-CG1 4.19Å; I239-I241 PolarHBondContact O-N 3.33Å; I241-I243 HydrophobicContact CG2-CG1 4.33Å; I241-I243 PolarHBondContact O-N 3.36Å
242	H	25.5	Very low	26	Very low	171 Å²	171	149.4 Å²	149.4	79%	0.792	77%	0.766	S	S	*	*			trans	-86.6	104.5	173.3	-71.3	-91.4	0	0	0	108.9	K244	H242-K244 PolarHBondContact O-N 3.46Å
243	I	26.9	Very low	25.8	Very low	140 Å²	140	148.2 Å²	148.2	72%	0.718	76%	0.764	S	S	*	*			trans	-82.4	112.1	173.9	-55.5	174.1	0	0	0	107.2	I241	I241-I243 HydrophobicContact CG2-CG1 4.33Å; I241-I243 PolarHBondContact O-N 3.36Å
244	K	26.9	Very low	25.8	Very low	189 Å²	189	152.5 Å²	152.5	82%	0.822	77%	0.77	S	S	*	*			trans	-65.3	135.9	171.1	-89.4	-176.7	173.1	-178	0	109.9	H242 T246	H242-K244 PolarHBondContact O-N 3.46Å; K244-T246 PolarHBondContact O-N 2.96Å; K244-T246 PolarHBondContact O-OG1 3.36Å; K244-T246 VanDerWaalsContact O-OG1 3.08Å
245	D	28.3	Very low	25.8	Very low	164 Å²	164	151.5 Å²	151.5	88%	0.877	77%	0.765	S	S	*	*			trans	-6.2	83.3	166.6	-52.7	-35.1	0	0	0	114.9
246	T	25.4	Very low	25.7	Very low	105 Å²	105	148 Å²	148	64%	0.644	76%	0.763	S	S	*	*			trans	-99	107.6	169.6	-18.4	0	0	0	0	107	K244 V248	K244-T246 PolarHBondContact O-N 2.96Å; K244-T246 PolarHBondContact O-OG1 3.36Å; K244-T246 VanDerWaalsContact O-OG1 3.08Å; T246-V248 PolarHBondContact O-N 2.94Å
247	Y	23.9	Very low	25.7	Very low	200 Å²	200	147.8 Å²	147.8	78%	0.784	76%	0.762	S	S	*	*			trans	-73.3	116.6	171	-115.6	-94.3	0	0	0	108.2
248	V	27.1	Very low	25.9	Very low	112 Å²	112	145.6 Å²	145.6	68%	0.679	76%	0.763	S	S	*	*			trans	-99.2	108.2	172.8	-175.5	0	0	0	0	106.9	T246 C250	T246-V248 PolarHBondContact O-N 2.94Å; V248-C250 PolarHBondContact O-N 3.06Å
249	Q	23.1	Very low	25.9	Very low	163 Å²	163	147 Å²	147	76%	0.762	76%	0.764	S	S	*	*			trans	-82.4	113	171.9	-175.4	171.7	-26.5	0	0	108.2	D251	Q249-D251 PolarHBondContact NE2-OD1 3.26Å
250	C	25.4	Very low	26	Very low	97 Å²	97	147.8 Å²	147.8	66%	0.655	77%	0.77	S	S	*	*			trans	-101.1	105.9	175.1	-62.7	0	0	0	0	108.8	V248 I252	V248-C250 PolarHBondContact O-N 3.06Å; C250-I252 PolarHBondContact O-N 3.07Å
251	D	24	Very low	26	Very low	130 Å²	130	143.5 Å²	143.5	70%	0.695	76%	0.764	S	S	*	*			trans	-77.7	100.1	170.2	-66.9	-28.3	0	0	0	108.4	Q249 L253	Q249-D251 PolarHBondContact NE2-OD1 3.26Å; D251-L253 PolarHBondContact O-N 3.36Å; D251-L253 VanDerWaalsContact O-N 3.09Å
252	I	26.8	Very low	26.1	Very low	151 Å²	151	145.3 Å²	145.3	77%	0.774	77%	0.769	S	S	*	*			trans	-75.9	96.7	171	-56.4	174.7	0	0	0	107	C250 K254	C250-I252 PolarHBondContact O-N 3.07Å; I252-K254 PolarHBondContact O-N 3.38Å
253	L	25.3	Very low	25.9	Very low	147 Å²	147	143.8 Å²	143.8	77%	0.77	77%	0.765	S	S	*	*			trans	-58.2	105.4	167.8	-92.9	136.2	0	0	0	109.1	D251 N255	D251-L253 PolarHBondContact O-N 3.36Å; D251-L253 VanDerWaalsContact O-N 3.09Å; L253-N255 VanDerWaalsContact C-N 3.33Å; L253-N255 PolarHBondContact O-N 2.71Å
254	K	27.5	Very low	25.6	Very low	189 Å²	189	145.6 Å²	145.6	82%	0.822	77%	0.77	S	S	*	*			trans	-67.5	90.2	168.9	-80.5	-177	175.2	-179.8	0	109	I252 S256	I252-K254 PolarHBondContact O-N 3.38Å; K254-S256 PolarHBondContact O-N 2.85Å; K254-S256 VanDerWaalsContact O-N 3.14Å
255	N	27	Very low	25.5	Very low	143 Å²	143	142.1 Å²	142.1	77%	0.765	77%	0.765	S	S	*	*			trans	-80.8	79.9	159.2	-71.1	-4.9	0	0	0	107.7	L253 S257	L253-N255 VanDerWaalsContact C-N 3.33Å; L253-N255 PolarHBondContact O-N 2.71Å; N255-S257 PolarHBondContact O-N 3.2Å
256	S	26.8	Very low	25.2	Very low	108 Å²	108	141.7 Å²	141.7	76%	0.755	76%	0.763	S	S	*	*			trans	-85.9	92.3	169.7	58.2	0	0	0	0	109.1	K254	K254-S256 PolarHBondContact O-N 2.85Å; K254-S256 VanDerWaalsContact O-N 3.14Å
257	S	27.2	Very low	25.1	Very low	114 Å²	114	146.3 Å²	146.3	80%	0.797	78%	0.777	S	S	*	*			trans	-135.2	59.4	160.7	69.6	0	0	0	0	108.4	N255	N255-S257 PolarHBondContact O-N 3.2Å
258	T	28.8	Very low	25.1	Very low	132 Å²	132	140.7 Å²	140.7	81%	0.81	77%	0.767	S	S	*	*			trans	-114.6	116.9	169.3	-27.6	0	0	0	0	106.9
259	N	27.5	Very low	25	Very low	150 Å²	150	141.9 Å²	141.9	80%	0.802	78%	0.775	S	S	*	*			trans	-33.2	140	179.3	-72.8	-52.1	0	0	0	114.1	S261	N259-S261 PolarHBondContact O-N 3.49Å
260	D	25.7	Very low	25.1	Very low	170 Å²	170	140.9 Å²	140.9	91%	0.909	77%	0.774	S	S	*	*			trans	-55.9	75.4	174.1	-67.5	-49.9	0	0	0	112.6	Q262	D260-Q262 VanDerWaalsContact C-N 3.33Å; D260-Q262 PolarHBondContact O-N 3.03Å
261	S	25.1	Very low	24.9	Very low	95 Å²	95	142.7 Å²	142.7	66%	0.664	78%	0.777	S	S	*	*			trans	-95	72.2	161	66.4	0	0	0	0	108.4	N259 I263	N259-S261 PolarHBondContact O-N 3.49Å; S261-I263 VanDerWaalsContact C-N 3.34Å; S261-I263 PolarHBondContact O-N 3.5Å
262	Q	23.2	Very low	24.9	Very low	182 Å²	182	140.1 Å²	140.1	85%	0.85	77%	0.773	S	S	*	*			trans	25.4	59.2	135.9	-150.2	175.1	48.1	0	0	117.3	D260	D260-Q262 VanDerWaalsContact C-N 3.33Å; D260-Q262 PolarHBondContact O-N 3.03Å
263	I	22.4	Very low	24.7	Very low	138 Å²	138	137.5 Å²	137.5	71%	0.708	77%	0.768	S	S	*	*			trans	-95	96.8	160.8	-62.3	176.2	0	0	0	106.6	S261 T265	S261-I263 VanDerWaalsContact C-N 3.34Å; S261-I263 PolarHBondContact O-N 3.5Å; I263-T265 VanDerWaalsContact C-N 3.28Å; I263-T265 HydrophobicContact CG2-CG2 3.87Å; I263-T265 PolarHBondContact O-N 3.35Å
264	Q	21.4	Very low	24.6	Very low	178 Å²	178	138.9 Å²	138.9	83%	0.832	77%	0.769	S	S	*	*			trans	-59.2	90.9	163.4	-81.6	176.8	-10.2	0	0	108.8
265	T	22.9	Very low	24.5	Very low	117 Å²	117	135.7 Å²	135.7	72%	0.718	76%	0.76	S	S	*	*			trans	-109.4	118.6	160.5	41	0	0	0	0	108.8	I263	I263-T265 VanDerWaalsContact C-N 3.28Å; I263-T265 HydrophobicContact CG2-CG2 3.87Å; I263-T265 PolarHBondContact O-N 3.35Å
266	N	23.1	Very low	24.3	Very low	155 Å²	155	133.2 Å²	133.2	83%	0.829	75%	0.753	S	S	*	*			trans	-41.1	136.9	-178.4	-64.5	-60.6	0	0	0	113.1	S268	N266-S268 PolarHBondContact O-N 3.48Å
267	Q	22.4	Very low	24.2	Very low	201 Å²	201	134.8 Å²	134.8	94%	0.939	75%	0.753	S	S	*	*			trans	-32.2	101.9	166.6	-73.8	167.6	-17.4	0	0	112.5
268	S	24.1	Very low	24.1	Very low	83 Å²	83	137.9 Å²	137.9	58%	0.58	75%	0.752	S	S	*	*			trans	-139.6	112.1	141.8	68.8	0	0	0	0	106.7	N266 L270	N266-S268 PolarHBondContact O-N 3.48Å; S268-L270 PolarHBondContact O-N 2.94Å
269	V	25	Very low	24.1	Very low	137 Å²	137	136.8 Å²	136.8	83%	0.83	75%	0.749	S	S	*	*			trans	-66.6	69.5	167.2	-178.6	0	0	0	0	106.3	N271	V269-N271 PolarHBondContact O-N 3.29Å
270	L	25	Very low	24	Very low	141 Å²	141	136.1 Å²	136.1	74%	0.738	74%	0.744	S	S	*	*			trans	-80.8	88.4	168.9	-74.9	172.2	0	0	0	105.6	S268 A272	S268-L270 PolarHBondContact O-N 2.94Å; L270-A272 PolarHBondContact O-N 3.49Å
271	N	22.6	Very low	24.1	Very low	136 Å²	136	134.3 Å²	134.3	73%	0.727	74%	0.735	S	S	*	*			trans	-39.8	95	148.1	-88.3	-25.4	0	0	0	107.2	V269 S273	V269-N271 PolarHBondContact O-N 3.29Å; N271-S273 PolarHBondContact O-N 3.48Å
272	A	23.6	Very low	24.2	Very low	75 Å²	75	137.1 Å²	137.1	62%	0.62	74%	0.741	S	S	*	*			trans	-76	63.1	170.5	0	0	0	0	0	107.2	L270 F274	L270-A272 PolarHBondContact O-N 3.49Å; A272-F274 HydrophobicContact CB-CD2 3.82Å; A272-F274 HydrophobicContact CB-CE2 3.86Å; A272-F274 PolarHBondContact O-N 3.47Å
273	S	21.5	Very low	24.4	Very low	96 Å²	96	137.8 Å²	137.8	67%	0.671	74%	0.742	S	S	*	*			trans	-63.6	82.6	149.5	48.8	0	0	0	0	105.3	N271 N275	N271-S273 PolarHBondContact O-N 3.48Å; S273-N275 PolarHBondContact O-N 3.49Å
274	F	24.6	Very low	24.7	Very low	176 Å²	176	136.7 Å²	136.7	77%	0.772	74%	0.738	S	S	*	*			trans	-66	82.6	161.1	-86.3	-84	0	0	0	106.1	A272 C276	A272-F274 HydrophobicContact CB-CD2 3.82Å; A272-F274 HydrophobicContact CB-CE2 3.86Å; A272-F274 PolarHBondContact O-N 3.47Å; F274-C276 VanDerWaalsContact C-N 3.28Å; F274-C276 PolarHBondContact O-N 3.04Å; F274-C276 PolarHBondContact O-SG 3.04Å
275	N	24.4	Very low	25.1	Very low	122 Å²	122	136.2 Å²	136.2	65%	0.652	74%	0.735	S	S	*	*			trans	-48.1	104.7	153	-106.5	-17	0	0	0	105	S273 L277	S273-N275 PolarHBondContact O-N 3.49Å; N275-L277 HydrophobicContact CB-CB 4.38Å; N275-L277 HydrophobicContact CB-CD1 4.4Å; N275-L277 PolarHBondContact O-N 3.41Å
276	C	23.6	Very low	25.7	Very low	91 Å²	91	135 Å²	135	62%	0.615	73%	0.731	S	S	*	*			trans	-67.8	28	172.7	-64.2	0	0	0	0	111.4	F274 K278	F274-C276 VanDerWaalsContact C-N 3.28Å; F274-C276 PolarHBondContact O-N 3.04Å; F274-C276 PolarHBondContact O-SG 3.04Å; C276-K278 VanDerWaalsContact C-N 3.3Å; C276-K278 PolarHBondContact O-N 3.38Å
277	L	23.9	Very low	25.9	Very low	141 Å²	141	134.6 Å²	134.6	74%	0.738	73%	0.729	S	S	*	*			trans	-92.9	61.8	-179.7	-76.6	164.7	0	0	0	109.8	N275	N275-L277 HydrophobicContact CB-CB 4.38Å; N275-L277 HydrophobicContact CB-CD1 4.4Å; N275-L277 PolarHBondContact O-N 3.41Å
278	K	26.7	Very low	26.3	Very low	180 Å²	180	130.9 Å²	130.9	78%	0.783	71%	0.714	S	S	*	*			trans	-161.8	101.5	145.1	-121	170	-179.1	174.8	0	105.8	C276 I280	C276-K278 VanDerWaalsContact C-N 3.3Å; C276-K278 PolarHBondContact O-N 3.38Å; K278-I280 PolarHBondContact O-N 2.95Å
279	S	26.8	Very low	26.4	Very low	108 Å²	108	137.1 Å²	137.1	76%	0.755	73%	0.725	S	S	*	*			trans	-43.1	100.7	154.7	-24.1	0	0	0	0	105.9	N281	S279-N281 PolarHBondContact O-N 3.1Å
280	I	26.4	Very low	26.7	Very low	136 Å²	136	137.8 Å²	137.8	70%	0.697	72%	0.724	S	S	*	*			trans	-68.8	95.1	173.3	-59.8	175.7	0	0	0	102.5	K278 L282	K278-I280 PolarHBondContact O-N 2.95Å; I280-L282 HydrophobicContact CB-CD1 4.42Å; I280-L282 HydrophobicContact CG2-CD1 4.12Å; I280-L282 HydrophobicContact CG2-CG 3.96Å; I280-L282 PolarHBondContact O-N 3.16Å
281	N	27.2	Very low	26.9	Very low	133 Å²	133	136.3 Å²	136.3	71%	0.711	72%	0.721	S	S	*	*			trans	-58.5	86.7	164.4	-86.8	-30.9	0	0	0	105.9	S279 F283	S279-N281 PolarHBondContact O-N 3.1Å; N281-F283 PolarHBondContact O-N 2.91Å; N281-F283 VanDerWaalsContact O-N 3.1Å
282	L	28.7	Very low	26.9	Very low	153 Å²	153	132.9 Å²	132.9	80%	0.801	72%	0.717	S	S	*	*			trans	-66.8	-0.9	173.7	-92.3	131.3	0	0	0	111.9	I280 N284	I280-L282 HydrophobicContact CB-CD1 4.42Å; I280-L282 HydrophobicContact CG2-CD1 4.12Å; I280-L282 HydrophobicContact CG2-CG 3.96Å; I280-L282 PolarHBondContact O-N 3.16Å; L282-N284 PolarHBondContact O-N 2.77Å; L282-N284 VanDerWaalsContact O-N 3.13Å
283	F	26.3	Very low	27	Very low	197 Å²	197	134.6 Å²	134.6	86%	0.864	72%	0.72	S	S	*	*			trans	-83.2	66.6	164.7	-72.7	-82.3	0	0	0	110.7	N281	N281-F283 PolarHBondContact O-N 2.91Å; N281-F283 VanDerWaalsContact O-N 3.1Å
284	N	28.4	Very low	27.2	Very low	115 Å²	115	136.5 Å²	136.5	62%	0.615	73%	0.728	S	S	*	*			trans	-91.9	97	151.6	-104.4	-7.3	0	0	0	106.9	L282 S286 N287	L282-N284 PolarHBondContact O-N 2.77Å; L282-N284 VanDerWaalsContact O-N 3.13Å; N284-S286 PolarHBondContact O-N 3.48Å; N284-N287 PolarHBondContact O-N 3.41Å; N284-N287 VanDerWaalsContact O-N 3.16Å
285	E	30.6	Very low	27.5	Very low	168 Å²	168	132.8 Å²	132.8	79%	0.785	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-52.1	-16.6	173.2	-154.5	168.7	-162.3	0	0	112.4	N287 I288	E285-N287 VanDerWaalsContact C-N 3.33Å; E285-N287 PolarHBondContact O-N 3.34Å; E285-I288 HydrophobicContact CG-CD1 4.38Å; E285-I288 PolarHBondContact O-N 3.49Å
286	S	36	Very low	27.6	Very low	90 Å²	90	135.6 Å²	135.6	63%	0.629	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-74.1	-9.6	177.4	55.6	0	0	0	0	116.1	N284	N284-S286 PolarHBondContact O-N 3.48Å
287	N	27.2	Very low	27.7	Very low	148 Å²	148	133.1 Å²	133.1	79%	0.791	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-91.3	2.6	173.2	-92.4	-14.4	0	0	0	114.1	N284 E285 R289	N284-N287 PolarHBondContact O-N 3.41Å; N284-N287 VanDerWaalsContact O-N 3.16Å; E285-N287 VanDerWaalsContact C-N 3.33Å; E285-N287 PolarHBondContact O-N 3.34Å; N287-R289 PolarHBondContact O-N 2.87Å
288	I	30.8	Very low	27.9	Very low	122 Å²	122	134.5 Å²	134.5	63%	0.626	73%	0.731	S	S	*	*			trans	-76.5	72.7	163.5	-49.8	172.1	0	0	0	106.9	E285 D290	E285-I288 HydrophobicContact CG-CD1 4.38Å; E285-I288 PolarHBondContact O-N 3.49Å; I288-D290 VanDerWaalsContact C-N 3.28Å; I288-D290 PolarHBondContact O-N 3.26Å; I288-D290 VanDerWaalsContact O-N 3.1Å
289	R	25.4	Very low	28.1	Very low	215 Å²	215	132.8 Å²	132.8	81%	0.811	73%	0.729	S	S	*	*			trans	-71.4	100.3	155.2	-81	-171.4	178.5	-173.7	0.1	105.2	N287 V291	N287-R289 PolarHBondContact O-N 2.87Å; R289-V291 HydrophobicContact CB-CG2 4.15Å; R289-V291 PolarHBondContact O-N 2.84Å
290	D	30.8	Very low	28.3	Very low	151 Å²	151	131.6 Å²	131.6	81%	0.807	72%	0.721	S	S	*	*			trans	-54.4	88.3	152.5	-88.4	-27.2	0	0	0	106.4	I288 G292	I288-D290 VanDerWaalsContact C-N 3.28Å; I288-D290 PolarHBondContact O-N 3.26Å; I288-D290 VanDerWaalsContact O-N 3.1Å; D290-G292 PolarHBondContact O-N 2.74Å
291	V	29.1	Very low	28.7	Very low	109 Å²	109	135.3 Å²	135.3	66%	0.661	73%	0.732	S	S	*	*			trans	-73.2	79	166.2	-175.8	0	0	0	0	104.6	R289 T293	R289-V291 HydrophobicContact CB-CG2 4.15Å; R289-V291 PolarHBondContact O-N 2.84Å; V291-T293 HydrophobicContact CG1-CG2 4.14Å; V291-T293 PolarHBondContact O-N 3.15Å
292	G	23.8	Very low	29	Very low	64 Å²	64	134.2 Å²	134.2	66%	0.66	73%	0.73	S	S	*	*			trans	-59.3	91.3	164.2	0	0	0	0	0	107.1	D290 T294	D290-G292 PolarHBondContact O-N 2.74Å; G292-T294 PolarHBondContact O-N 3.24Å
293	T	26	Very low	29.1	Very low	111 Å²	111	129.9 Å²	129.9	68%	0.681	72%	0.723	S	S	*	*			trans	-75.6	85.3	166.5	32.1	0	0	0	0	106.2	V291 T295	V291-T293 HydrophobicContact CG1-CG2 4.14Å; V291-T293 PolarHBondContact O-N 3.15Å; T293-T295 PolarHBondContact O-N 2.93Å
294	T	24.3	Very low	29.5	Very low	137 Å²	137	129 Å²	129	84%	0.84	73%	0.726	S	S	*	*			trans	-61.1	91.6	152.7	48.5	0	0	0	0	106.2	G292	G292-T294 PolarHBondContact O-N 3.24Å
295	T	30.4	Very low	29.9	Very low	97 Å²	97	132 Å²	132	60%	0.595	74%	0.736	S	S	*	*			trans	-136.9	103.6	166.4	-44.3	0	0	0	0	105.1	T293 G297	T293-T295 PolarHBondContact O-N 2.93Å; T295-G297 PolarHBondContact O-N 2.95Å
296	D	26.5	Very low	30.2	Very low	181 Å²	181	127.5 Å²	127.5	97%	0.968	73%	0.728	S	S	*	*			trans	-62.2	35.4	166.6	-69.1	-44.3	0	0	0	111.8
297	G	26.6	Very low	30.3	Very low	39 Å²	39	132 Å²	132	40%	0.402	74%	0.736	S	S	.	*			trans	-95.4	119.6	168.9	0	0	0	0	0	107	T295 I299	T295-G297 PolarHBondContact O-N 2.95Å; G297-I299 PolarHBondContact O-N 2.8Å
298	I	28.9	Very low	30.6	Very low	171 Å²	171	133.8 Å²	133.8	88%	0.877	74%	0.739	S	S	*	*			trans	-60.8	85.1	170.7	-59.4	161.7	0	0	0	107.1	S300	I298-S300 PolarHBondContact O-N 3.09Å
299	I	30	Very low	30.9	Very low	143 Å²	143	137.3 Å²	137.3	73%	0.733	75%	0.75	S	S	*	*			trans	-75.5	101.9	171.5	-55.1	174.5	0	0	0	104.8	G297 K301	G297-I299 PolarHBondContact O-N 2.8Å; I299-K301 PolarHBondContact O-N 2.73Å
300	S	31.9	Very low	31.6	Very low	83 Å²	83	131.8 Å²	131.8	58%	0.58	74%	0.744	S	S	*	*			trans	-40.5	131.3	163.5	39.2	0	0	0	0	109.4	I298 T302	I298-S300 PolarHBondContact O-N 3.09Å; S300-T302 PolarHBondContact O-N 2.96Å; S300-T302 PolarHBondContact O-OG1 2.83Å
301	K	33.3	Very low	31.9	Very low	214 Å²	214	132 Å²	132	93%	0.93	74%	0.744	S	S	*	*			trans	-56	63.1	171.9	-90.8	176.4	168.2	177.2	0	112	I299 G303	I299-K301 PolarHBondContact O-N 2.73Å; K301-G303 PolarHBondContact O-N 3.47Å
302	T	33.9	Very low	32.3	Very low	111 Å²	111	137 Å²	137	68%	0.681	75%	0.751	S	S	*	*			trans	-82.2	86.8	154.2	46.5	0	0	0	0	104.3	S300 L304	S300-T302 PolarHBondContact O-N 2.96Å; S300-T302 PolarHBondContact O-OG1 2.83Å; T302-L304 PolarHBondContact O-N 3.36Å
303	G	30.7	Very low	33	Very low	62 Å²	62	139.8 Å²	139.8	64%	0.639	76%	0.755	S	S	*	*			trans	-48.6	118.6	178.3	0	0	0	0	0	108.8	K301 E305	K301-G303 PolarHBondContact O-N 3.47Å; G303-E305 PolarHBondContact O-N 3.4Å
304	L	34.5	Very low	33.4	Very low	179 Å²	179	143.2 Å²	143.2	94%	0.937	77%	0.765	S	S	*	*			trans	-57.4	89.1	162.7	-77.8	155.6	0	0	0	106.4	T302 A306	T302-L304 PolarHBondContact O-N 3.36Å; L304-A306 PolarHBondContact O-N 3.41Å
305	E	36.8	Very low	34	Very low	177 Å²	177	142.3 Å²	142.3	83%	0.827	76%	0.759	S	S	*	*			trans	-65.8	95.1	167	-76	-153.7	161.1	0	0	106.4	G303 K307	G303-E305 PolarHBondContact O-N 3.4Å; E305-K307 VanDerWaalsContact C-N 3.32Å; E305-K307 PolarHBondContact O-N 2.86Å
306	A	37.6	Very low	34.2	Very low	73 Å²	73	148.8 Å²	148.8	60%	0.603	77%	0.773	S	S	*	*			trans	-57.5	102.1	166.2	0	0	0	0	0	106.8	L304 H308	L304-A306 PolarHBondContact O-N 3.41Å; A306-H308 VanDerWaalsContact C-N 3.3Å; A306-H308 PolarHBondContact O-CD2 2.84Å; A306-H308 PolarHBondContact O-N 3.42Å
307	K	38.8	Very low	34.8	Very low	185 Å²	185	144.7 Å²	144.7	80%	0.804	76%	0.756	S	S	*	*			trans	-62.4	94.8	174.5	-74.7	-174.1	176.6	-179.5	0	107.8	E305 K309	E305-K307 VanDerWaalsContact C-N 3.32Å; E305-K307 PolarHBondContact O-N 2.86Å; K307-K309 PolarHBondContact O-N 3.25Å
308	H	33.8	Very low	35.1	Very low	185 Å²	185	151.1 Å²	151.1	86%	0.856	78%	0.776	S	S	*	*			trans	-63.4	104.5	173.3	-74.7	-95	0	0	0	108.6	A306 S310	A306-H308 VanDerWaalsContact C-N 3.3Å; A306-H308 PolarHBondContact O-CD2 2.84Å; A306-H308 PolarHBondContact O-N 3.42Å; H308-S310 PolarHBondContact O-N 2.9Å
309	K	36.6	Very low	35.6	Very low	196 Å²	196	148.5 Å²	148.5	85%	0.852	77%	0.773	S	S	*	*			trans	-79.2	112.5	170.5	-69.4	-175.3	178.2	-176.4	0	108.5	K307	K307-K309 PolarHBondContact O-N 3.25Å
310	S	40	Very low	35.9	Very low	99 Å²	99	150 Å²	150	69%	0.692	77%	0.769	S	S	*	*			trans	-83.8	124.5	173.2	77.7	0	0	0	0	110.1	H308	H308-S310 PolarHBondContact O-N 2.9Å
311	I	35.9	Very low	36.2	Very low	155 Å²	155	154.3 Å²	154.3	80%	0.795	79%	0.785	S	S	*	*			trans	-96.6	130.9	171.1	-60.5	171.5	0	0	0	107.8
312	R	39.1	Very low	36.4	Very low	215 Å²	215	149.5 Å²	149.5	81%	0.811	77%	0.774	S	S	*	*			trans	-107.1	122.4	174.4	-64	-173.9	-170	-162.2	3.8	109.3
313	V	37.4	Very low	36.5	Very low	122 Å²	122	154.2 Å²	154.2	74%	0.739	79%	0.785	S	S	*	*			trans	-99.3	119.4	176.9	-178.7	0	0	0	0	108.6	V315	V313-V315 HydrophobicContact CG1-CG2 4.29Å
314	M	34.4	Very low	36.7	Very low	184 Å²	184	158.8 Å²	158.8	91%	0.906	79%	0.794	S	S	*	*			trans	-93.7	110.2	174.4	-72.9	-118	-68.6	0	0	110
315	V	36.7	Very low	36.6	Very low	117 Å²	117	159.3 Å²	159.3	71%	0.709	79%	0.791	S	S	*	*			trans	-92.5	115.1	174.6	-176.2	0	0	0	0	109.3	V313 P317	V313-V315 HydrophobicContact CG1-CG2 4.29Å; V315-P317 WeakPolarHBondContact O-CD 3.41Å
316	R	34.5	Very low	36.6	Very low	234 Å²	234	156.4 Å²	156.4	88%	0.883	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-76.1	120.1	173.9	-158.2	-177.5	-118.9	174	-0.4	108.8	Q318	R316-Q318 PolarHBondContact O-N 2.94Å
317	P	38.9	Very low	36.4	Very low	95 Å²	95	158.6 Å²	158.6	62%	0.617	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-65.4	124	176	-15.6	28.9	0	0	0	109.6	V315 S319	V315-P317 WeakPolarHBondContact O-CD 3.41Å; P317-S319 PolarHBondContact O-N 3.48Å
318	Q	34.1	Very low	36.3	Very low	174 Å²	174	157 Å²	157	81%	0.813	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-63.3	131.4	169.6	-154	170.7	11.4	0	0	108.2	R316 R320	R316-Q318 PolarHBondContact O-N 2.94Å; Q318-R320 WeakPolarHBondContact O-CG 3.43Å; Q318-R320 PolarHBondContact O-N 3.05Å
319	S	38.2	Very low	36.3	Very low	116 Å²	116	155.4 Å²	155.4	81%	0.811	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-53.7	124.9	-177.7	41.6	0	0	0	0	110.5	P317	P317-S319 PolarHBondContact O-N 3.48Å
320	R	38	Very low	36.1	Very low	175 Å²	175	154.8 Å²	154.8	66%	0.66	79%	0.794	S	S	*	*			trans	-116.3	126.1	170.6	-44.2	-170.1	-164.4	176	9	107.4	Y189 Q318 V322	Y189-R320 PolarHBondContact OH-NH1 2.97Å; Y189-R320 PolarHBondContact OH-NH2 2.9Å; Q318-R320 WeakPolarHBondContact O-CG 3.43Å; Q318-R320 PolarHBondContact O-N 3.05Å; R320-V322 HydrophobicContact CB-CG2 4.48Å; R320-V322 PolarHBondContact O-N 3.41Å; R320-V322 VanDerWaalsContact O-N 3.1Å
321	N	37.4	Very low	35.8	Very low	173 Å²	173	157.1 Å²	157.1	93%	0.925	80%	0.797	S	S	*	*			trans	-71.2	100.3	172.9	-73.1	-30.2	0	0	0	108.6
322	V	37.7	Very low	35.6	Very low	113 Å²	113	155.5 Å²	155.5	69%	0.685	80%	0.796	S	S	*	*			trans	-98.3	114.1	175.3	-170.8	0	0	0	0	108.3	R320	R320-V322 HydrophobicContact CB-CG2 4.48Å; R320-V322 PolarHBondContact O-N 3.41Å; R320-V322 VanDerWaalsContact O-N 3.1Å
323	K	36	Very low	35.2	Very low	210 Å²	210	150.4 Å²	150.4	91%	0.913	79%	0.794	S	S	*	*			trans	-81.6	114.6	166.8	-93.7	-178.8	173.3	179.4	0	108.4	Q325	K323-Q325 PolarHBondContact O-N 2.67Å
324	L	35.4	Very low	34.7	Very low	158 Å²	158	152.2 Å²	152.2	83%	0.827	80%	0.799	S	S	*	*			trans	-80.4	113.7	171.9	-67.2	169.9	0	0	0	108.6
325	Q	32.2	Very low	34.5	Very low	190 Å²	190	151.5 Å²	151.5	89%	0.888	80%	0.797	S	S	*	*			trans	-88.2	107.3	171.3	-172.3	172.8	10.4	0	0	108.4	K323	K323-Q325 PolarHBondContact O-N 2.67Å
326	T	36.3	Very low	34.1	Very low	115 Å²	115	151.5 Å²	151.5	71%	0.706	80%	0.797	S	S	*	*			trans	-76.7	129.9	172.5	30.9	0	0	0	0	110.1	L328	T326-L328 PolarHBondContact O-N 2.91Å
327	P	33.5	Very low	33.6	Very low	120 Å²	120	148.2 Å²	148.2	78%	0.779	80%	0.797	S	S	*	*			trans	-70	123.1	175.8	24.3	-29.3	0	0	0	110.7	N329	P327-N329 PolarHBondContact O-N 3.13Å; P327-N329 VanDerWaalsContact O-N 3.08Å
328	L	36.3	Very low	33	Very low	152 Å²	152	146.9 Å²	146.9	80%	0.796	80%	0.801	S	S	*	*			trans	-72.2	4.9	-174.1	-132.8	90.4	0	0	0	115.3	T326	T326-L328 PolarHBondContact O-N 2.91Å
329	N	34.2	Very low	32.9	Very low	151 Å²	151	143.8 Å²	143.8	81%	0.807	80%	0.799	S	S	*	*			trans	-108.8	63.5	-167.7	-75	-11.7	0	0	0	112.6	P327	P327-N329 PolarHBondContact O-N 3.13Å; P327-N329 VanDerWaalsContact O-N 3.08Å
330	M	31.9	Very low	32.5	Very low	183 Å²	183	145.4 Å²	145.4	90%	0.901	80%	0.798	S	S	*	*			trans	-138.7	60.2	155	-73.7	-148.5	118.8	0	0	109.5	P332	M330-P332 WeakPolarHBondContact O-CD 3.32Å
331	I	33.1	Very low	32.1	Very low	148 Å²	148	145.1 Å²	145.1	76%	0.759	81%	0.81	S	S	*	*			trans	-80.5	114.1	161.6	-61.7	175.1	0	0	0	106.1	S333	I331-S333 PolarHBondContact O-N 3.1Å
332	P	33.4	Very low	31.6	Very low	120 Å²	120	147.8 Å²	147.8	78%	0.779	81%	0.807	S	S	*	*			trans	-63.5	128.9	178.9	-17.7	31.3	0	0	0	110.2	M330 N334	M330-P332 WeakPolarHBondContact O-CD 3.32Å; P332-N334 PolarHBondContact O-N 3.37Å
333	S	29.2	Very low	31.4	Very low	109 Å²	109	148 Å²	148	76%	0.762	81%	0.811	S	S	*	*			trans	-54.5	125.8	177.9	-28.6	0	0	0	0	111.5	I331 I335	I331-S333 PolarHBondContact O-N 3.1Å; S333-I335 PolarHBondContact O-N 3.33Å; S333-I335 VanDerWaalsContact O-N 3.09Å
334	N	27.1	Very low	31.1	Very low	159 Å²	159	146 Å²	146	85%	0.85	81%	0.809	S	S	*	*			trans	-0.5	92.1	156.2	-83.1	-27.7	0	0	0	115.7	P332	P332-N334 PolarHBondContact O-N 3.37Å
335	I	31.2	Very low	30.8	Very low	169 Å²	169	144.8 Å²	144.8	87%	0.867	80%	0.803	S	S	*	*			trans	-84.5	114.3	152.5	-61.7	177.4	0	0	0	106.4	S333 N337	S333-I335 PolarHBondContact O-N 3.33Å; S333-I335 VanDerWaalsContact O-N 3.09Å; I335-N337 PolarHBondContact O-N 2.98Å
336	T	27.6	Very low	30.8	Very low	117 Å²	117	144.8 Å²	144.8	72%	0.718	80%	0.801	S	S	*	*			trans	-62.1	123.7	-170.4	-37.8	0	0	0	0	111.9	G338	T336-G338 PolarHBondContact O-N 3.2Å
337	N	25	Very low	30.5	Very low	165 Å²	165	145.9 Å²	145.9	88%	0.882	80%	0.802	S	S	*	*			trans	7.1	99.5	148.2	-61.5	-23.2	0	0	0	116.7	I335	I335-N337 PolarHBondContact O-N 2.98Å
338	G	26.5	Very low	30.2	Very low	67 Å²	67	147.9 Å²	147.9	69%	0.691	81%	0.805	S	S	*	*			trans	-139.9	83.9	166.6	0	0	0	0	0	110.5	T336	T336-G338 PolarHBondContact O-N 3.2Å
339	S	30.8	Very low	29.6	Very low	109 Å²	109	146.1 Å²	146.1	76%	0.762	80%	0.804	S	S	*	*	S	Bend	trans	55.4	122.6	165.2	77.8	0	0	0	0	119.4
340	N	30	Very low	29.2	Very low	150 Å²	150	145.5 Å²	145.5	80%	0.802	80%	0.8	S	S	*	*			trans	65	84.3	149.7	-57.7	-17.2	0	0	0	117.6	R342	N340-R342 PolarHBondContact O-N 3.34Å
341	N	29	Very low	28.9	Very low	170 Å²	170	141.1 Å²	141.1	91%	0.909	79%	0.787	S	S	*	*				18.8	78.9	128.2	-67.2	-11.6	0	0	0	116
342	R	26.9	Very low	28.6	Very low	228 Å²	228	139.8 Å²	139.8	86%	0.86	79%	0.786	S	S	*	*			trans	-145.1	111.6	142.4	-148.8	171.2	-171.7	-175.6	1.3	109	N340 L344	N340-R342 PolarHBondContact O-N 3.34Å; R342-L344 PolarHBondContact O-N 3Å
343	P	32.9	Very low	28.2	Very low	118 Å²	118	140.8 Å²	140.8	77%	0.766	78%	0.784	S	S	*	*			trans	-56.5	120.4	171.1	21.7	-29.1	0	0	0	107.4	N345	P343-N345 PolarHBondContact O-N 3.46Å
344	L	30	Very low	28.1	Very low	167 Å²	167	144.8 Å²	144.8	87%	0.874	79%	0.788	S	S	*	*			trans	-58.3	89	165.7	-88.1	143.6	0	0	0	106.6	R342 K346	R342-L344 PolarHBondContact O-N 3Å; L344-K346 PolarHBondContact O-N 3.49Å
345	N	29.2	Very low	28	Very low	133 Å²	133	143.6 Å²	143.6	71%	0.711	79%	0.787	S	S	*	*			trans	-66.1	107.1	175.7	-165.3	-18.3	0	0	0	106.4	P343 N347	P343-N345 PolarHBondContact O-N 3.46Å; N345-N347 PolarHBondContact O-N 3.15Å
346	K	32.9	Very low	27.8	Very low	191 Å²	191	140.3 Å²	140.3	83%	0.83	78%	0.779	S	S	*	*	S	Bend	trans	-69.7	74.4	178.8	-62.2	174.7	-178.4	175.4	0	108.6	L344	L344-K346 PolarHBondContact O-N 3.49Å
347	N	29.5	Very low	27.5	Very low	138 Å²	138	145.3 Å²	145.3	74%	0.738	79%	0.786	S	S	*	*			trans	-163.6	70.4	168.3	-81	-39.5	0	0	0	107.9	N345 C349	N345-N347 PolarHBondContact O-N 3.15Å; N347-C349 PolarHBondContact O-N 2.92Å
348	L	27.7	Very low	27.6	Very low	162 Å²	162	146 Å²	146	85%	0.848	78%	0.784	S	S	*	*			trans	-75.2	76.4	169	-170.6	71.2	0	0	0	108	I350	L348-I350 HydrophobicContact CG-CG1 4.45Å; L348-I350 PolarHBondContact O-N 2.99Å
349	C	24.3	Very low	27.6	Very low	114 Å²	114	151.3 Å²	151.3	77%	0.77	79%	0.791	S	S	*	*			trans	-75.7	109.1	167.8	-170.7	0	0	0	0	107.3	N347 S351	N347-C349 PolarHBondContact O-N 2.92Å; C349-S351 VanDerWaalsContact C-N 3.27Å; C349-S351 PolarHBondContact O-N 3.2Å
350	I	25	Very low	27.3	Very low	139 Å²	139	154.1 Å²	154.1	71%	0.713	79%	0.792	S	S	*	*			trans	-77	86.2	174.3	-52.3	170.8	0	0	0	106.3	L348 V352	L348-I350 HydrophobicContact CG-CG1 4.45Å; L348-I350 PolarHBondContact O-N 2.99Å; I350-V352 PolarHBondContact O-N 3.5Å
351	S	26.3	Very low	27.1	Very low	91 Å²	91	155.6 Å²	155.6	64%	0.636	79%	0.794	S	S	*	*			trans	-67.9	116	170	179.1	0	0	0	0	108.3	C349 D353	C349-S351 VanDerWaalsContact C-N 3.27Å; C349-S351 PolarHBondContact O-N 3.2Å; S351-D353 PolarHBondContact O-N 2.92Å
352	V	25.4	Very low	27.1	Very low	120 Å²	120	155.8 Å²	155.8	73%	0.727	79%	0.789	S	S	*	*			trans	-80.1	105.5	174.1	-176.7	0	0	0	0	107.4	I350 K354	I350-V352 PolarHBondContact O-N 3.5Å; V352-K354 PolarHBondContact O-N 3.48Å
353	D	25.1	Very low	27.1	Very low	140 Å²	140	150.9 Å²	150.9	75%	0.749	78%	0.784	S	S	*	*			trans	-57.8	98.9	174.5	-74.2	-33.2	0	0	0	110.6	S351 T355	S351-D353 PolarHBondContact O-N 2.92Å; D353-T355 PolarHBondContact O-N 3.27Å
354	K	27.7	Very low	27	Very low	194 Å²	194	151 Å²	151	84%	0.843	78%	0.783	S	S	*	*			trans	-85.6	94.6	157.6	-79.7	-174.2	178.2	177.1	0	107.4	V352 S356	V352-K354 PolarHBondContact O-N 3.48Å; K354-S356 PolarHBondContact O-N 3.33Å
355	T	24.8	Very low	26.8	Very low	134 Å²	134	149 Å²	149	82%	0.822	78%	0.778	S	S	*	*			trans	-55.3	98.3	166.7	50.9	0	0	0	0	109.8	D353	D353-T355 PolarHBondContact O-N 3.27Å
356	S	26.1	Very low	26.5	Very low	100 Å²	100	150.1 Å²	150.1	70%	0.699	78%	0.781	S	S	*	*			trans	-132.8	100.3	165.7	166.5	0	0	0	0	107.2	K354 Q358	K354-S356 PolarHBondContact O-N 3.33Å; S356-Q358 PolarHBondContact O-N 3.42Å
357	Y	21.5	Very low	26	Very low	222 Å²	222	147.2 Å²	147.2	87%	0.871	78%	0.779	S	S	*	*			trans	-51.9	104	170.3	-92.6	-105	0	0	0	110.6
358	Q	28.1	Very low	25.9	Very low	179 Å²	179	147.9 Å²	147.9	84%	0.836	78%	0.78	S	S	*	*			trans	-138.6	111.4	151.3	-77.6	-164.2	-13.5	0	0	109.2	S356 H360	S356-Q358 PolarHBondContact O-N 3.42Å; Q358-H360 PolarHBondContact O-N 3.03Å
359	Q	25.8	Very low	25.9	Very low	179 Å²	179	146.9 Å²	146.9	84%	0.836	78%	0.781	S	S	*	*			trans	-61.6	111.2	170.8	-68.8	176.3	-21.4	0	0	108.7
360	H	25.8	Very low	26	Very low	168 Å²	168	147.5 Å²	147.5	78%	0.778	78%	0.777	S	S	*	*			trans	-125.7	105.9	159.6	-126.9	57.5	0	0	0	108.5	Q358 Q362	Q358-H360 PolarHBondContact O-N 3.03Å; H360-Q362 PolarHBondContact O-N 3.39Å
361	Q	25.2	Very low	26.1	Very low	181 Å²	181	148.7 Å²	148.7	85%	0.846	78%	0.784	S	S	*	*			trans	-67.9	115.1	170.6	-66.1	178.1	4.8	0	0	107.4
362	Q	29.5	Very low	26	Very low	173 Å²	173	149.9 Å²	149.9	81%	0.808	79%	0.788	S	S	*	*			trans	-111	110.5	164.7	-76.5	-174.5	-8.6	0	0	108.1	H360	H360-Q362 PolarHBondContact O-N 3.39Å
363	T	27.2	Very low	26.1	Very low	125 Å²	125	150.1 Å²	150.1	77%	0.767	79%	0.79	S	S	*	*			trans	-72.6	121.6	179.7	-49.8	0	0	0	0	109.7	T365	T363-T365 PolarHBondContact O-N 2.81Å
364	T	29.1	Very low	26.3	Very low	122 Å²	122	151.2 Å²	151.2	75%	0.748	79%	0.794	S	S	*	*			trans	-75.5	115	172.6	-43.6	0	0	0	0	109.4	M366	T364-M366 HydrophobicContact CG2-CG 4.5Å
365	T	25.6	Very low	26.3	Very low	123 Å²	123	146.4 Å²	146.4	76%	0.755	79%	0.79	S	S	*	*			trans	-101.1	114.3	170.3	-48.4	0	0	0	0	108.5	T363	T363-T365 PolarHBondContact O-N 2.81Å
366	M	23.5	Very low	26.3	Very low	157 Å²	157	147.4 Å²	147.4	77%	0.773	79%	0.791	S	S	*	*			trans	-88.8	126.2	175.8	-53.4	-154.5	87.8	0	0	109.2	T364	T364-M366 HydrophobicContact CG2-CG 4.5Å
367	T	23.9	Very low	26.5	Very low	131 Å²	131	150.6 Å²	150.6	80%	0.804	80%	0.8	S	S	*	*			trans	-110.4	108.8	167.9	-50.8	0	0	0	0	108.1
368	M	26.3	Very low	26.7	Very low	151 Å²	151	147.3 Å²	147.3	74%	0.744	80%	0.797	S	S	*	*			trans	-80.2	120.8	176.7	-62.5	-85.3	-104.2	0	0	108.6
369	T	28.6	Very low	26.6	Very low	142 Å²	142	145.4 Å²	145.4	87%	0.871	80%	0.798	S	S	*	*			trans	-101.3	100.8	161.6	17.8	0	0	0	0	108.4
370	N	24.8	Very low	26.6	Very low	127 Å²	127	144.8 Å²	144.8	68%	0.679	80%	0.799	S	S	*	*			trans	-76.2	136	158.4	-68.3	-42.2	0	0	0	107.5
371	D	27.9	Very low	26.7	Very low	164 Å²	164	142.4 Å²	142.4	88%	0.877	80%	0.797	S	S	*	*				-168.4	146.8	117	-95.2	-23.7	0	0	0	112.5
372	T	24	Very low	27	Very low	115 Å²	115	141 Å²	141	71%	0.706	80%	0.795	S	S	*	*			trans	-108.3	161.2	-162.7	-48.5	0	0	0	0	108.9
373	T	26.7	Very low	26.7	Very low	125 Å²	125	142.2 Å²	142.2	77%	0.767	79%	0.793	S	S	*	*			trans	104	150.1	152.2	72.7	0	0	0	0	118.7
374	I	29.4	Very low	26.9	Very low	163 Å²	163	142.2 Å²	142.2	84%	0.836	79%	0.789	S	S	*	*			trans	105.6	79.1	176.6	-52.3	161.3	0	0	0	110.8
375	A	27.8	Very low	26.9	Very low	93 Å²	93	142 Å²	142	77%	0.769	79%	0.79	S	S	*	*				93	113.7	78.6	0	0	0	0	0	112.3
376	D	25.1	Very low	27	Very low	156 Å²	156	146 Å²	146	83%	0.834	79%	0.791	S	S	*	*			trans	-59.9	134.1	173.3	-60.2	-56.6	0	0	0	112
377	N	31.4	Very low	27.2	Very low	167 Å²	167	145.3 Å²	145.3	89%	0.893	79%	0.789	S	S	*	*			trans	-157.5	109	147	-89.5	-37.5	0	0	0	109.9
378	N	24.6	Very low	27.4	Very low	153 Å²	153	143.5 Å²	143.5	82%	0.818	78%	0.779	S	S	*	*			trans	-59.9	135.4	162.1	-72.5	-35.6	0	0	0	109.9
379	T	26.4	Very low	27.4	Very low	139 Å²	139	147.1 Å²	147.1	85%	0.853	79%	0.785	S	S	*	*				163.1	147.8	117	37.5	0	0	0	0	112.4
380	L	26.6	Very low	27.4	Very low	165 Å²	165	149 Å²	149	86%	0.864	78%	0.781	S	S	*	*			trans	92.1	92.2	158.7	-143.4	67.8	0	0	0	117	D382	L380-D382 PolarHBondContact O-N 3.22Å
381	V	27.5	Very low	27.5	Very low	118 Å²	118	149.5 Å²	149.5	72%	0.715	78%	0.783	S	S	*	*			trans	-59.7	102.2	164	-174.6	0	0	0	0	108.8	Y383	V381-Y383 HydrophobicContact CG1-CD2 3.57Å; V381-Y383 HydrophobicContact CG1-CE2 3.46Å; V381-Y383 VanDerWaalsContact CG1-CE2 3.46Å
382	D	30.3	Very low	27.6	Very low	151 Å²	151	147 Å²	147	81%	0.807	78%	0.776	S	S	*	*			trans	-103.6	110.3	164.4	-163.5	13.7	0	0	0	108.2	L380 D384	L380-D382 PolarHBondContact O-N 3.22Å; D382-D384 PolarHBondContact O-N 3.44Å
383	Y	25	Very low	27.9	Very low	199 Å²	199	147 Å²	147	78%	0.78	78%	0.775	S	S	*	*			trans	-77.7	102.4	176.1	-89	-95.2	0	0	0	107.7	V381 P385	V381-Y383 HydrophobicContact CG1-CD2 3.57Å; V381-Y383 HydrophobicContact CG1-CE2 3.46Å; V381-Y383 VanDerWaalsContact CG1-CE2 3.46Å; Y383-P385 VanDerWaalsContact O-CD 3.27Å; Y383-P385 WeakPolarHBondContact O-CD 3.36Å
384	D	30.7	Very low	28	Very low	126 Å²	126	148.1 Å²	148.1	67%	0.674	78%	0.776	S	S	*	*			trans	-97.8	104.1	162.5	-168.5	-2.9	0	0	0	110	D382 R386	D382-D384 PolarHBondContact O-N 3.44Å; D384-R386 VanDerWaalsContact C-N 3.27Å; D384-R386 PolarHBondContact O-N 3.27Å; D384-R386 VanDerWaalsContact O-N 3.12Å
385	P	30	Very low	28.1	Very low	118 Å²	118	145.8 Å²	145.8	77%	0.766	77%	0.765	S	S	*	*			trans	-86.7	66.1	176.9	36.4	-32.6	0	0	0	109.6	Y383	Y383-P385 VanDerWaalsContact O-CD 3.27Å; Y383-P385 WeakPolarHBondContact O-CD 3.36Å
386	R	27.3	Very low	28.1	Very low	206 Å²	206	146.9 Å²	146.9	78%	0.777	77%	0.766	S	S	*	*			trans	-138.7	114	170.3	-74.9	-171.1	180	162	2.9	112.4	D384	D384-R386 VanDerWaalsContact C-N 3.27Å; D384-R386 PolarHBondContact O-N 3.27Å; D384-R386 VanDerWaalsContact O-N 3.12Å
387	I	27.2	Very low	28.3	Very low	143 Å²	143	147.2 Å²	147.2	73%	0.733	76%	0.763	S	S	*	*			trans	77.6	102.3	161.3	-50.2	166.7	0	0	0	113	R389	I387-R389 PolarHBondContact O-N 2.76Å
388	P	28.2	Very low	28.4	Very low	92 Å²	92	144.1 Å²	144.1	60%	0.597	75%	0.754	S	S	*	*			trans	-64.8	102.2	167.3	20.5	-16.9	0	0	0	107.4	F390	P388-F390 HydrophobicContact CB-CD2 3.95Å; P388-F390 HydrophobicContact CB-CE2 3.59Å; P388-F390 HydrophobicContact CB-CZ 3.99Å; P388-F390 HydrophobicContact CG-CD2 4.21Å; P388-F390 HydrophobicContact CG-CE2 3.63Å; P388-F390 HydrophobicContact CG-CZ 4.29Å; P388-F390 WeakPolarHBondContact O-CD2 3.13Å; P388-F390 PolarHBondContact O-N 2.85Å
389	R	26	Very low	28.6	Very low	228 Å²	228	141.5 Å²	141.5	86%	0.86	75%	0.754	S	S	*	*			trans	-63.9	84.3	160.6	-70.5	-176.8	-180	173.2	0.6	106.3	I387 L391	I387-R389 PolarHBondContact O-N 2.76Å; R389-L391 PolarHBondContact O-N 2.83Å
390	F	29.3	Very low	28.9	Very low	180 Å²	180	142.4 Å²	142.4	79%	0.789	75%	0.749	S	S	*	*			trans	-66.1	90.6	160.8	-69.1	-73.4	0	0	0	105.8	P388	P388-F390 HydrophobicContact CB-CD2 3.95Å; P388-F390 HydrophobicContact CB-CE2 3.59Å; P388-F390 HydrophobicContact CB-CZ 3.99Å; P388-F390 HydrophobicContact CG-CD2 4.21Å; P388-F390 HydrophobicContact CG-CE2 3.63Å; P388-F390 HydrophobicContact CG-CZ 4.29Å; P388-F390 WeakPolarHBondContact O-CD2 3.13Å; P388-F390 PolarHBondContact O-N 2.85Å
391	L	26.9	Very low	29	Very low	139 Å²	139	139.9 Å²	139.9	73%	0.728	75%	0.745	S	S	*	*			trans	-54.1	136.6	161.4	-72.8	168.9	0	0	0	107	R389 V393	R389-L391 PolarHBondContact O-N 2.83Å; L391-V393 VanDerWaalsContact C-N 3.35Å; L391-V393 PolarHBondContact O-N 3.31Å
392	P	28.9	Very low	29.3	Very low	111 Å²	111	141.2 Å²	141.2	72%	0.721	75%	0.747	S	S	*	*			trans	-64.4	101	177.3	26.7	-29.9	0	0	0	106.9	D394	P392-D394 PolarHBondContact O-N 3.44Å; P392-D394 VanDerWaalsContact O-N 3.16Å
393	V	30.9	Very low	29.4	Very low	115 Å²	115	142.3 Å²	142.3	70%	0.697	75%	0.747	S	S	*	*			trans	-70.2	112.2	167.9	176.8	0	0	0	0	105.1	L391 I395	L391-V393 VanDerWaalsContact C-N 3.35Å; L391-V393 PolarHBondContact O-N 3.31Å; V393-I395 HydrophobicContact CB-CG1 4.29Å; V393-I395 HydrophobicContact CG1-CD1 4.18Å; V393-I395 HydrophobicContact CG1-CG1 3.65Å; V393-I395 PolarHBondContact O-N 3.46Å
394	D	29.2	Very low	29.7	Very low	148 Å²	148	137.1 Å²	137.1	79%	0.791	74%	0.74	S	S	*	*			trans	-55.6	84.4	168.7	-68.1	-48.9	0	0	0	109.7	P392	P392-D394 PolarHBondContact O-N 3.44Å; P392-D394 VanDerWaalsContact O-N 3.16Å
395	I	30.4	Very low	29.6	Very low	115 Å²	115	138.7 Å²	138.7	59%	0.59	75%	0.748	S	S	*	*			trans	-101.1	81.5	167.8	-42.7	176.4	0	0	0	106.4	V393 E397	V393-I395 HydrophobicContact CB-CG1 4.29Å; V393-I395 HydrophobicContact CG1-CD1 4.18Å; V393-I395 HydrophobicContact CG1-CG1 3.65Å; V393-I395 PolarHBondContact O-N 3.46Å; I395-E397 HydrophobicContact CG2-CB 3.8Å; I395-E397 HydrophobicContact CG2-CG 3.59Å; I395-E397 PolarHBondContact O-N 2.79Å
396	S	28.2	Very low	29.7	Very low	115 Å²	115	137.9 Å²	137.9	80%	0.804	75%	0.745	S	S	*	*			trans	-64.3	59.3	158.8	-51	0	0	0	0	110.2
397	E	29.3	Very low	29.9	Very low	163 Å²	163	137 Å²	137	76%	0.762	74%	0.742	S	S	*	*			trans	-102.5	72.4	166.7	-77.8	-177.7	175	0	0	107.7	I395 A399	I395-E397 HydrophobicContact CG2-CB 3.8Å; I395-E397 HydrophobicContact CG2-CG 3.59Å; I395-E397 PolarHBondContact O-N 2.79Å; E397-A399 PolarHBondContact O-N 2.82Å
398	S	33.2	Very low	30	Very low	102 Å²	102	137.1 Å²	137.1	71%	0.713	74%	0.743	S	S	*	*			trans	-66.9	87.7	160.3	-63.9	0	0	0	0	107.1	Q400	S398-Q400 PolarHBondContact O-N 3.29Å
399	A	30.4	Very low	30.3	Very low	99 Å²	99	141.8 Å²	141.8	82%	0.818	75%	0.749	S	S	*	*			trans	-65.1	73.4	168.8	0	0	0	0	0	109.4	E397 S401	E397-A399 PolarHBondContact O-N 2.82Å; A399-S401 PolarHBondContact O-N 2.73Å
400	Q	32.6	Very low	30.4	Very low	157 Å²	157	136.2 Å²	136.2	73%	0.734	74%	0.742	S	S	*	*			trans	-77.5	99.2	168.5	-77.3	-177.3	0.2	0	0	107.6	S398 I402	S398-Q400 PolarHBondContact O-N 3.29Å; Q400-I402 PolarHBondContact O-N 2.7Å
401	S	28.4	Very low	30.5	Very low	112 Å²	112	132.3 Å²	132.3	78%	0.783	74%	0.743	S	S	*	*			trans	-64.1	96.9	169	-160.3	0	0	0	0	108.4	A399 E403	A399-S401 PolarHBondContact O-N 2.73Å; S401-E403 VanDerWaalsContact C-N 3.31Å; S401-E403 PolarHBondContact O-N 2.8Å
402	I	33.1	Very low	30.7	Very low	147 Å²	147	131.8 Å²	131.8	75%	0.754	75%	0.745	S	S	*	*			trans	-73.4	81.2	172.5	25.3	166	0	0	0	109	Q400 S404	Q400-I402 PolarHBondContact O-N 2.7Å; I402-S404 VanDerWaalsContact C-N 3.29Å; I402-S404 PolarHBondContact O-N 2.99Å
403	E	32.3	Very low	30.8	Very low	173 Å²	173	131.7 Å²	131.7	81%	0.808	75%	0.745	S	S	*	*			trans	-66.9	95	159.2	-81.7	178.4	160.7	0	0	107.7	S401 D405	S401-E403 VanDerWaalsContact C-N 3.31Å; S401-E403 PolarHBondContact O-N 2.8Å; E403-D405 PolarHBondContact O-N 3.03Å
404	S	31.6	Very low	30.9	Very low	91 Å²	91	132 Å²	132	64%	0.636	75%	0.749	S	S	*	*			trans	-81	92.1	174.9	-58.4	0	0	0	0	108.4	I402 S406	I402-S404 VanDerWaalsContact C-N 3.29Å; I402-S404 PolarHBondContact O-N 2.99Å; S404-S406 PolarHBondContact O-N 2.84Å
405	D	29.6	Very low	31	Very low	159 Å²	159	130.9 Å²	130.9	85%	0.85	75%	0.753	S	S	*	*			trans	-65.9	76.2	171.8	-84.5	-20.9	0	0	0	110.6	E403 W407	E403-D405 PolarHBondContact O-N 3.03Å; D405-W407 PolarHBondContact O-N 2.9Å; D405-W407 VanDerWaalsContact O-N 3.15Å
406	S	32	Very low	31.1	Very low	101 Å²	101	132.6 Å²	132.6	71%	0.706	76%	0.762	S	S	*	*			trans	-83.1	83.9	172.7	-64.8	0	0	0	0	109.4	S404	S404-S406 PolarHBondContact O-N 2.84Å
407	W	30.7	Very low	31.1	Very low	188 Å²	188	138 Å²	138	71%	0.712	77%	0.765	S	S	*	*			trans	-76.3	119.6	175.5	-173.5	-95.5	0	0	0	110.8	D405	D405-W407 PolarHBondContact O-N 2.9Å; D405-W407 VanDerWaalsContact O-N 3.15Å
408	I	30	Very low	31.2	Very low	145 Å²	145	137.6 Å²	137.6	74%	0.744	77%	0.767	S	S	*	*			trans	-119.7	129.1	176.9	-60.5	167	0	0	0	108.8
409	W	33.6	Very low	31.1	Very low	190 Å²	190	140.1 Å²	140.1	72%	0.72	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-67.1	135.7	176.6	-66.8	95.5	0	0	0	111.6	I167 A411	I167-W409 HydrophobicContact CD1-CZ3 4.33Å; W409-A411 PolarHBondContact O-N 3.43Å
410	P	29	Very low	31.1	Very low	110 Å²	110	144.4 Å²	144.4	71%	0.714	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-65.6	130.1	170.4	24.3	-29.4	0	0	0	110.5
411	A	29.8	Very low	31	Very low	98 Å²	98	144.5 Å²	144.5	81%	0.81	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-61.8	140.4	174.8	0	0	0	0	0	110.7	W409	W409-A411 PolarHBondContact O-N 3.43Å
412	T	31.6	Very low	30.9	Very low	128 Å²	128	144.3 Å²	144.3	79%	0.785	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-50	135	-174.3	-42.8	0	0	0	0	112.8
413	P	31.8	Very low	30.7	Very low	109 Å²	109	144.5 Å²	144.5	71%	0.708	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-65.9	151.8	-175.6	23.2	-32.2	0	0	0	113.6
414	P	33.3	Very low	30.6	Very low	122 Å²	122	145 Å²	145	79%	0.792	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-66.3	134.8	-173	22.8	-30.8	0	0	0	113.4	I416	P414-I416 PolarHBondContact O-N 2.97Å
415	S	30.6	Very low	30.4	Very low	124 Å²	124	148.1 Å²	148.1	87%	0.867	79%	0.791	S	S	*	*			trans	-66.1	114.8	178	179.7	0	0	0	0	111.4
416	I	33.1	Very low	30.3	Very low	151 Å²	151	147.4 Å²	147.4	77%	0.774	79%	0.792	S	S	*	*			trans	-78.1	123.5	176.7	-47.9	170.3	0	0	0	108.1	P414 N418	P414-I416 PolarHBondContact O-N 2.97Å; I416-N418 PolarHBondContact O-N 3.28Å
417	R	27.5	Very low	30.1	Very low	230 Å²	230	148.2 Å²	148.2	87%	0.868	79%	0.793	S	S	*	*			trans	-71.7	113.8	-179.7	-145.7	-179.8	-156.2	-172.7	5.4	108.6	D419	R417-D419 PolarHBondContact O-N 3.12Å
418	N	32.2	Very low	29.9	Very low	153 Å²	153	144.6 Å²	144.6	82%	0.818	80%	0.796	S	S	*	*			trans	-74.6	115.1	174	-88.4	-5.8	0	0	0	110.2	I416	I416-N418 PolarHBondContact O-N 3.28Å
419	D	30.3	Very low	29.7	Very low	155 Å²	155	143.1 Å²	143.1	83%	0.829	79%	0.794	S	S	*	*			trans	-69.9	147.8	166.2	-77.8	-37.4	0	0	0	111.3	R417	R417-D419 PolarHBondContact O-N 3.12Å
420	K	30.9	Very low	29.5	Very low	189 Å²	189	139.9 Å²	139.9	82%	0.822	80%	0.799	S	S	*	*			trans	-71.1	158.1	-168.1	-65.1	166.8	173.4	173.7	0	112.9
421	N	29.3	Very low	29.3	Very low	159 Å²	159	140.6 Å²	140.6	85%	0.85	80%	0.797	S	S	*	*			trans	95.5	100	157.8	-60.2	-7.5	0	0	0	118.1
422	S	27.6	Very low	29.1	Very low	109 Å²	109	140.9 Å²	140.9	76%	0.762	79%	0.793	S	S	*	*			trans	-169.3	104.5	132.9	177.4	0	0	0	0	109.6
423	N	28.4	Very low	28.9	Very low	151 Å²	151	145.1 Å²	145.1	81%	0.807	80%	0.797	S	S	*	*			trans	-98.5	105.7	175.8	-72.8	-31	0	0	0	108.9
424	H	30.9	Very low	28.6	Very low	184 Å²	184	147.3 Å²	147.3	85%	0.852	80%	0.801	S	S	*	*			trans	-148.4	104.4	156.2	-69.9	-66.3	0	0	0	109.2
425	L	26.2	Very low	28.3	Very low	156 Å²	156	145 Å²	145	82%	0.817	80%	0.798	S	S	*	*			trans	-110.8	113	176.8	-162.7	84.6	0	0	0	106.9	T427	L425-T427 HydrophobicContact CD2-CG2 4.22Å; L425-T427 HydrophobicContact CG-CG2 4.27Å
426	T	28	Very low	28.2	Very low	144 Å²	144	147 Å²	147	88%	0.883	79%	0.794	S	S	*	*			trans	-115.7	101.7	168.2	47.2	0	0	0	0	107.8
427	T	27.3	Very low	27.8	Very low	117 Å²	117	149 Å²	149	72%	0.718	80%	0.8	S	S	*	*			trans	-92.2	116.8	174	45.4	0	0	0	0	109.2	L425	L425-T427 HydrophobicContact CD2-CG2 4.22Å; L425-T427 HydrophobicContact CG-CG2 4.27Å
428	S	26.1	Very low	28	Very low	112 Å²	112	146.1 Å²	146.1	78%	0.783	80%	0.799	S	S	*	*			trans	-95.2	111.6	172.7	171.4	0	0	0	0	108.6
429	T	27.3	Very low	27.6	Very low	114 Å²	114	144.2 Å²	144.2	70%	0.699	79%	0.788	S	S	*	*			trans	-77.8	124.6	175.6	-53.9	0	0	0	0	109.2
430	C	27.8	Very low	27.4	Very low	122 Å²	122	145.8 Å²	145.8	82%	0.824	78%	0.784	S	S	*	*			trans	-89.4	108.9	170.9	-63.1	0	0	0	0	108.5
431	D	26.2	Very low	27.3	Very low	125 Å²	125	144.6 Å²	144.6	67%	0.668	78%	0.782	S	S	*	*			trans	-71.1	133.8	174.3	-78.8	-37.2	0	0	0	111.4	Y433	D431-Y433 WeakPolarHBondContact O-CD2 3.38Å
432	S	24.7	Very low	27.1	Very low	105 Å²	105	145.3 Å²	145.3	73%	0.734	78%	0.78	S	S	*	*			trans	-83	114.2	177.1	-177.2	0	0	0	0	109.8	I434	S432-I434 PolarHBondContact O-N 3.3Å
433	Y	27.8	Very low	27.2	Very low	217 Å²	217	148.6 Å²	148.6	85%	0.851	78%	0.783	S	S	*	*			trans	-83.2	97	176	-66.1	-92.9	0	0	0	109.8	D431 G435	D431-Y433 WeakPolarHBondContact O-CD2 3.38Å; Y433-G435 PolarHBondContact O-N 3.33Å
434	I	25.6	Very low	27	Very low	155 Å²	155	149.5 Å²	149.5	80%	0.795	78%	0.782	S	S	*	*			trans	-81.3	93.4	161.5	-67	166.7	0	0	0	106.4	S432	S432-I434 PolarHBondContact O-N 3.3Å
435	G	27.3	Very low	26.9	Very low	72 Å²	72	145.6 Å²	145.6	74%	0.742	77%	0.773	S	S	*	*			trans	-82.7	116.8	177	0	0	0	0	0	111	Y433	Y433-G435 PolarHBondContact O-N 3.33Å
436	Q	28	Very low	26.7	Very low	168 Å²	168	142.9 Å²	142.9	79%	0.785	77%	0.767	S	S	*	*			trans	-67.4	135.8	176.1	-72.5	173.8	8.7	0	0	111.9	M438	Q436-M438 PolarHBondContact O-N 3.15Å
437	E	24	Very low	26.5	Very low	192 Å²	192	146.6 Å²	146.6	90%	0.897	77%	0.766	S	S	*	*			trans	-56.1	110.8	162.8	-174.7	174.2	-161.8	0	0	110
438	M	31.5	Very low	26.7	Very low	169 Å²	169	146.4 Å²	146.4	83%	0.833	77%	0.767	S	S	*	*			trans	-126.6	108.2	173.4	-71.4	-67.5	-73	0	0	109.2	Q436	Q436-M438 PolarHBondContact O-N 3.15Å
439	D	24.8	Very low	26.5	Very low	113 Å²	113	147.1 Å²	147.1	60%	0.604	77%	0.772	S	S	*	*			trans	-84.1	152.9	177.5	-162.5	0.9	0	0	0	110.5
440	Y	27	Very low	26.5	Very low	188 Å²	188	150.2 Å²	150.2	74%	0.737	78%	0.779	S	S	*	*			trans	88.6	117.6	169.2	-57.4	-73.5	0	0	0	122.2
441	Q	28.3	Very low	26.3	Very low	165 Å²	165	154 Å²	154	77%	0.771	78%	0.781	S	S	*	*			trans	92.5	83.6	140.7	-69.6	-177	20.6	0	0	121.1	H443	Q441-H443 PolarHBondContact O-N 3.28Å
442	Q	24.1	Very low	26.3	Very low	173 Å²	173	154.9 Å²	154.9	81%	0.808	78%	0.784	S	S	*	*				-1.7	99.6	127.9	-164.4	174.8	25.6	0	0	118.5
443	H	30.3	Very low	26.2	Very low	179 Å²	179	154.3 Å²	154.3	83%	0.829	78%	0.78	S	S	*	*			trans	-144.3	121.1	146.8	-81.6	-72.3	0	0	0	110.7	Q441	Q441-H443 PolarHBondContact O-N 3.28Å
444	H	24.1	Very low	26	Very low	170 Å²	170	150.4 Å²	150.4	79%	0.787	77%	0.774	S	S	*	*			trans	-65	179.4	168.8	-83.7	-91.2	0	0	0	112
445	P	28.4	Very low	26.2	Very low	101 Å²	101	152.8 Å²	152.8	66%	0.656	78%	0.782	S	S	*	*				-132.5	177.7	-65.2	36.9	-18.4	0	0	0	112.1
446	S	22.9	Very low	25.9	Very low	99 Å²	99	155.7 Å²	155.7	69%	0.692	79%	0.785	S	S	*	*			trans	104.9	108.3	151.4	-38.9	0	0	0	0	118.7
447	Y	23.6	Very low	25.9	Very low	222 Å²	222	153 Å²	153	87%	0.871	79%	0.785	S	S	*	*			trans	27	157.2	135.6	-65.3	-83.1	0	0	0	122.2
448	P	30.2	Very low	25.8	Very low	113 Å²	113	149.2 Å²	149.2	73%	0.734	78%	0.775	S	S	*	*			cis	-129.5	159	-13.4	32.4	-12.9	0	0	0	114.7	E450	P448-E450 PolarHBondContact O-N 2.96Å
449	S	23.5	Very low	25.5	Very low	128 Å²	128	148.8 Å²	148.8	90%	0.895	77%	0.771	S	S	*	*			trans	-66.7	115.4	176.5	-63.6	0	0	0	0	113.7
450	E	26.6	Very low	25.5	Very low	179 Å²	179	150.3 Å²	150.3	84%	0.836	78%	0.778	S	S	*	*			trans	-90.5	129.2	160.1	-81.7	-176.4	156.3	0	0	111	P448	P448-E450 PolarHBondContact O-N 2.96Å
451	K	23.8	Very low	25.8	Very low	202 Å²	202	147 Å²	147	88%	0.878	78%	0.78	S	S	*	*			trans	-78	121.3	168.3	-74.1	172.1	171.5	177.5	0	109.5
452	I	25.8	Very low	25.6	Very low	142 Å²	142	142.5 Å²	142.5	73%	0.728	78%	0.777	S	S	*	*			trans	-156.7	109.2	150.8	-74.5	111.4	0	0	0	105.5
453	S	22.7	Very low	25.8	Very low	93 Å²	93	140.3 Å²	140.3	65%	0.65	78%	0.778	S	S	*	*				65	131	94.3	-147.1	0	0	0	0	116
454	N	23.6	Very low	25.6	Very low	135 Å²	135	138.4 Å²	138.4	72%	0.722	78%	0.779	S	S	*	*			trans	87	107	158.6	-48.1	-23.8	0	0	0	116.9
455	Q	28.7	Very low	25.9	Very low	205 Å²	205	135.7 Å²	135.7	96%	0.958	78%	0.779	S	S	*	*				-165.4	133.9	123	-105.5	166.6	77.1	0	0	112.4
456	T	22.7	Very low	25.8	Very low	134 Å²	134	136.8 Å²	136.8	82%	0.822	78%	0.784	S	S	*	*			trans	-105.5	126.9	177.2	-59.9	0	0	0	0	107.7
457	S	28.2	Very low	26.1	Very low	111 Å²	111	140.9 Å²	140.9	78%	0.776	79%	0.792	S	S	*	*			trans	-166.2	99.6	164.1	-173.1	0	0	0	0	107.8
458	T	21.3	Very low	26.3	Very low	112 Å²	112	140 Å²	140	69%	0.687	79%	0.793	S	S	*	*				64	103.6	79.3	-41.1	0	0	0	0	115.2
459	H	24	Very low	26.3	Very low	161 Å²	161	140.4 Å²	140.4	75%	0.745	79%	0.794	S	S	*	*			trans	86	134.5	138.4	-106.3	-122.9	0	0	0	123.5
460	L	25.9	Very low	26.8	Very low	145 Å²	145	140 Å²	140	76%	0.759	79%	0.792	S	S	*	*			trans	99.5	149.7	139.4	-78.2	157.4	0	0	0	120.1
461	P	33.9	Very low	27.2	Very low	119 Å²	119	136.4 Å²	136.4	77%	0.773	79%	0.786	S	S	*	*				-124.3	159	-115.5	40.8	-26	0	0	0	115.1
462	G	22.4	Very low	28	Very low	69 Å²	69	136.3 Å²	136.3	71%	0.711	79%	0.786	S	S	*	*			trans	-118.4	146.4	172.9	0	0	0	0	0	112.7
463	P	28.5	Very low	28.9	Very low	127 Å²	127	133.5 Å²	133.5	83%	0.825	78%	0.778	S	S	*	*			trans	-82.4	148.9	-159.8	33.3	-34.9	0	0	0	114.4	S465	P463-S465 PolarHBondContact O-N 3.47Å
464	T	26.6	Very low	30.1	Very low	140 Å²	140	135.9 Å²	135.9	86%	0.859	79%	0.789	S	S	*	*			trans	-51.4	116.8	178	-46.7	0	0	0	0	113	T466	T464-T466 PolarHBondContact O-N 3.06Å; T464-T466 VanDerWaalsContact O-N 3.16Å
465	S	30.9	Very low	31.5	Very low	112 Å²	112	134.5 Å²	134.5	78%	0.783	78%	0.777	S	S	*	*			trans	-60.7	112.9	170.8	-58.8	0	0	0	0	110.6	P463 E467	P463-S465 PolarHBondContact O-N 3.47Å; S465-E467 PolarHBondContact O-N 2.84Å
466	T	26.4	Very low	33.3	Very low	124 Å²	124	129.4 Å²	129.4	76%	0.761	76%	0.756	S	S	*	*			trans	-54.3	122.6	171.8	1.3	0	0	0	0	110.8	T464 F468	T464-T466 PolarHBondContact O-N 3.06Å; T464-T466 VanDerWaalsContact O-N 3.16Å; T466-F468 PolarHBondContact O-N 3.28Å; T466-F468 VanDerWaalsContact O-N 3.12Å
467	E	28	Very low	35.5	Very low	185 Å²	185	130.9 Å²	130.9	86%	0.864	75%	0.751	S	S	*	*			trans	-58.5	108	175	-67.9	174	148.4	0	0	110.1	S465 T469	S465-E467 PolarHBondContact O-N 2.84Å; E467-T469 PolarHBondContact O-N 3Å
468	F	28.8	Very low	37.2	Very low	203 Å²	203	132.4 Å²	132.4	89%	0.89	75%	0.746	S	S	*	*			trans	-68.6	101.8	166.8	-78.7	-84.5	0	0	0	108.4	T466 S470	T466-F468 PolarHBondContact O-N 3.28Å; T466-F468 VanDerWaalsContact O-N 3.12Å; F468-S470 PolarHBondContact O-N 2.72Å; F468-S470 VanDerWaalsContact O-N 3.09Å
469	T	30	Very low	39.5	Very low	123 Å²	123	130.3 Å²	130.3	76%	0.755	73%	0.733	S	S	*	*			trans	-56.6	111.8	167.6	50.3	0	0	0	0	108.8	E467 S471	E467-T469 PolarHBondContact O-N 3Å; T469-S471 PolarHBondContact O-N 3.26Å
470	S	34.2	Very low	41.6	Very low	120 Å²	120	128.1 Å²	128.1	84%	0.839	72%	0.723	S	S	*	*			trans	-58.6	100.2	172.4	170.6	0	0	0	0	109.2	F468 K472	F468-S470 PolarHBondContact O-N 2.72Å; F468-S470 VanDerWaalsContact O-N 3.09Å; S470-K472 PolarHBondContact O-N 3.33Å
471	S	34.5	Very low	43.6	Very low	103 Å²	103	126.1 Å²	126.1	72%	0.72	71%	0.712	S	S	*	*			trans	-54.9	123.3	170.6	-57.2	0	0	0	0	108.5	T469 S473	T469-S471 PolarHBondContact O-N 3.26Å; S471-S473 PolarHBondContact O-N 3.17Å
472	K	41.6	Very low	45.5	Very low	200 Å²	200	122.2 Å²	122.2	87%	0.87	69%	0.693	S	S	*	*			trans	-59.2	85	175.9	-171.8	167.5	-176.8	174.8	0	109.2	S470 T474	S470-K472 PolarHBondContact O-N 3.33Å; K472-T474 PolarHBondContact O-N 2.72Å
473	S	44.1	Very low	47.9	Very low	82 Å²	82	123.1 Å²	123.1	57%	0.573	68%	0.681	S	S	*	*			trans	-67.5	101.6	-178.9	178	0	0	0	0	108.1	S471 F475	S471-S473 PolarHBondContact O-N 3.17Å; S473-F475 PolarHBondContact O-N 2.78Å; S473-F475 WeakPolarHBondContact OG-CD2 3.43Å
474	T	48.7	Very low	50.2	Low	143 Å²	143	121.1 Å²	121.1	88%	0.877	67%	0.667	S	S	*	*			trans	-67.3	55	160.8	32.7	0	0	0	0	109.2	K472 D476	K472-T474 PolarHBondContact O-N 2.72Å; T474-D476 PolarHBondContact O-N 2.77Å
475	F	53.1	Low	52.4	Low	107 Å²	107	118.9 Å²	118.9	47%	0.469	65%	0.649	S	S	.	*			trans	-65.1	130.9	169.8	-119.4	-117.7	0	0	0	107.5	S473 K477 V479 L483	S473-F475 PolarHBondContact O-N 2.78Å; S473-F475 WeakPolarHBondContact OG-CD2 3.43Å; F475-K477 PolarHBondContact O-N 2.96Å; F475-V479 HydrophobicContact CD1-CB 3.82Å; F475-V479 HydrophobicContact CD1-CG1 3.61Å; F475-V479 HydrophobicContact CE1-CB 4.04Å; F475-V479 HydrophobicContact CE1-CG1 3.31Å; F475-V479 HydrophobicContact CZ-CG1 4.45Å; F475-L483 HydrophobicContact CD1-CD1 4.49Å; F475-L483 HydrophobicContact CE1-CD1 4.03Å
476	D	65.7	Low	54.2	Low	97 Å²	97	116.1 Å²	116.1	52%	0.519	63%	0.633	S	S	.	*			trans	-55.3	129.3	175.9	-160	-12	0	0	0	108.6	T474 E478 V479 Q480	T474-D476 PolarHBondContact O-N 2.77Å; D476-E478 PolarHBondContact O-N 2.65Å; D476-E478 VanDerWaalsContact O-N 3.09Å; D476-V479 HydrophobicContact CB-CG2 4.08Å; D476-V479 PolarHBondContact O-N 2.86Å; D476-Q480 PolarHBondContact O-N 2.78Å
477	K	68.9	Low	56.2	Low	165 Å²	165	117.2 Å²	117.2	72%	0.717	62%	0.623	S	S	*	*	H	α-helix	trans	-57.7	-31.4	-170.9	-68.1	179.2	-178	176.4	0	111.3	F475 Q480 I481	F475-K477 PolarHBondContact O-N 2.96Å; K477-Q480 PolarHBondContact O-N 3.29Å; K477-I481 WeakPolarHBondContact O-CG1 3.31Å; K477-I481 PolarHBondContact O-N 2.8Å
478	E	64	Low	58.2	Low	144 Å²	144	115.8 Å²	115.8	67%	0.673	61%	0.611	S	S	*	*	H	α-helix	trans	-61.5	-42.5	174	-77.3	-176.2	157.8	0	0	112.7	D476 Q480 I481 G482	D476-E478 PolarHBondContact O-N 2.65Å; D476-E478 VanDerWaalsContact O-N 3.09Å; E478-Q480 VanDerWaalsContact C-N 3.31Å; E478-Q480 PolarHBondContact O-N 2.9Å; E478-I481 PolarHBondContact O-N 2.83Å; E478-G482 PolarHBondContact O-N 3.41Å
479	V	70	Confident	60	Low	67 Å²	67	111 Å²	111	41%	0.406	59%	0.592	S	S	.	*	H	α-helix	trans	-69.2	-36	178.8	-174.1	0	0	0	0	110.3	F475 D476 G482 L483	F475-V479 HydrophobicContact CD1-CB 3.82Å; F475-V479 HydrophobicContact CD1-CG1 3.61Å; F475-V479 HydrophobicContact CE1-CB 4.04Å; F475-V479 HydrophobicContact CE1-CG1 3.31Å; F475-V479 HydrophobicContact CZ-CG1 4.45Å; D476-V479 HydrophobicContact CB-CG2 4.08Å; D476-V479 PolarHBondContact O-N 2.86Å; V479-G482 PolarHBondContact O-N 3.09Å; V479-L483 HydrophobicContact CG1-CD1 4.17Å; V479-L483 WeakPolarHBondContact O-CB 3.38Å; V479-L483 PolarHBondContact O-N 2.84Å
480	Q	68.4	Low	61.7	Low	116 Å²	116	111.3 Å²	111.3	54%	0.542	59%	0.585	S	S	.	*	H	α-helix	trans	-65.9	-40.1	176.7	-145.7	175.2	28.5	0	0	111.8	D476 K477 E478 T484	D476-Q480 PolarHBondContact O-N 2.78Å; K477-Q480 PolarHBondContact O-N 3.29Å; E478-Q480 VanDerWaalsContact C-N 3.31Å; E478-Q480 PolarHBondContact O-N 2.9Å; Q480-T484 WeakPolarHBondContact O-CB 3.42Å; Q480-T484 PolarHBondContact O-N 2.79Å; Q480-T484 PolarHBondContact O-OG1 3.41Å
481	I	68	Low	63.2	Low	102 Å²	102	111.5 Å²	111.5	52%	0.523	57%	0.573	S	S	.	*	H	α-helix	trans	-63.1	-48.7	171.2	-76.3	161.5	0	0	0	110.5	K477 E478 L483 T484 I485	K477-I481 WeakPolarHBondContact O-CG1 3.31Å; K477-I481 PolarHBondContact O-N 2.8Å; E478-I481 PolarHBondContact O-N 2.83Å; I481-L483 PolarHBondContact O-N 2.96Å; I481-T484 WeakPolarHBondContact O-CB 3.47Å; I481-T484 PolarHBondContact O-N 2.88Å; I481-T484 VanDerWaalsContact O-N 3.1Å; I481-I485 HydrophobicContact CG2-CD1 3.72Å; I481-I485 HydrophobicContact CG2-CG1 4.45Å; I481-I485 WeakPolarHBondContact O-CG1 3.33Å; I481-I485 PolarHBondContact O-N 2.82Å
482	G	71.9	Confident	64.3	Low	37 Å²	37	110.1 Å²	110.1	38%	0.381	56%	0.557	S	S	.	*	H	α-helix	trans	-57.7	-44.8	178.4	0	0	0	0	0	112.9	E478 V479 T484 I485 A486	E478-G482 PolarHBondContact O-N 3.41Å; V479-G482 PolarHBondContact O-N 3.09Å; G482-T484 VanDerWaalsContact C-N 3.33Å; G482-T484 PolarHBondContact O-N 3.42Å; G482-I485 PolarHBondContact O-N 3.12Å; G482-A486 WeakPolarHBondContact O-CB 3.45Å; G482-A486 PolarHBondContact O-N 3.01Å
483	L	73	Confident	65.1	Low	88 Å²	88	105.7 Å²	105.7	46%	0.461	54%	0.543	S	S	.	.	H	α-helix	trans	-65.2	-35.7	175.4	-82.1	165	0	0	0	112.8	F475 V479 I481 R487	F475-L483 HydrophobicContact CD1-CD1 4.49Å; F475-L483 HydrophobicContact CE1-CD1 4.03Å; V479-L483 HydrophobicContact CG1-CD1 4.17Å; V479-L483 WeakPolarHBondContact O-CB 3.38Å; V479-L483 PolarHBondContact O-N 2.84Å; I481-L483 PolarHBondContact O-N 2.96Å; L483-R487 WeakPolarHBondContact O-CB 3.23Å; L483-R487 PolarHBondContact O-N 2.96Å
484	T	78.3	Confident	65.6	Low	86 Å²	86	108.1 Å²	108.1	53%	0.528	55%	0.549	S	S	.	.	H	α-helix	trans	-68	-43.2	177.2	-56.2	0	0	0	0	110.5	Q480 I481 G482 R487 Y488	Q480-T484 WeakPolarHBondContact O-CB 3.42Å; Q480-T484 PolarHBondContact O-N 2.79Å; Q480-T484 PolarHBondContact O-OG1 3.41Å; I481-T484 WeakPolarHBondContact O-CB 3.47Å; I481-T484 PolarHBondContact O-N 2.88Å; I481-T484 VanDerWaalsContact O-N 3.1Å; G482-T484 VanDerWaalsContact C-N 3.33Å; G482-T484 PolarHBondContact O-N 3.42Å; T484-R487 PolarHBondContact O-N 3.37Å; T484-Y488 WeakPolarHBondContact O-CB 3.47Å; T484-Y488 PolarHBondContact O-N 3.09Å
485	I	72.5	Confident	65.8	Low	93 Å²	93	107.8 Å²	107.8	48%	0.477	54%	0.542	S	S	.	.	H	α-helix	trans	-63.6	-47.4	175.2	-65.7	167.1	0	0	0	110.2	I481 G482 R487 Y488 M489	I481-I485 HydrophobicContact CG2-CD1 3.72Å; I481-I485 HydrophobicContact CG2-CG1 4.45Å; I481-I485 WeakPolarHBondContact O-CG1 3.33Å; I481-I485 PolarHBondContact O-N 2.82Å; G482-I485 PolarHBondContact O-N 3.12Å; I485-R487 VanDerWaalsContact C-N 3.34Å; I485-R487 PolarHBondContact O-N 2.81Å; I485-Y488 PolarHBondContact O-N 3.12Å; I485-M489 HydrophobicContact CG2-CG 4.36Å; I485-M489 HydrophobicContact CG2-SD 4.12Å; I485-M489 WeakPolarHBondContact O-CG 3.4Å; I485-M489 PolarHBondContact O-N 3.14Å
486	A	67.5	Low	65.5	Low	53 Å²	53	106.8 Å²	106.8	44%	0.438	54%	0.544	S	S	.	.	H	α-helix	trans	-58.9	-45.1	179.1	0	0	0	0	0	111.8	G482 M489 E490	G482-A486 WeakPolarHBondContact O-CB 3.45Å; G482-A486 PolarHBondContact O-N 3.01Å; A486-M489 PolarHBondContact O-N 2.81Å; A486-E490 WeakPolarHBondContact O-CB 3.39Å; A486-E490 PolarHBondContact O-N 3.36Å
487	R	69.7	Low	64.9	Low	147 Å²	147	111 Å²	111	56%	0.555	56%	0.561	S	S	*	*	H	α-helix	trans	-65	-41.9	177.6	-159.4	-173.3	-53	161	6.2	112	L483 T484 I485 M489 E490 E491	L483-R487 WeakPolarHBondContact O-CB 3.23Å; L483-R487 PolarHBondContact O-N 2.96Å; T484-R487 PolarHBondContact O-N 3.37Å; I485-R487 VanDerWaalsContact C-N 3.34Å; I485-R487 PolarHBondContact O-N 2.81Å; R487-M489 VanDerWaalsContact C-N 3.33Å; R487-M489 PolarHBondContact O-N 2.94Å; R487-E490 PolarHBondContact O-N 3.44Å; R487-E491 WeakPolarHBondContact O-CB 3.47Å; R487-E491 WeakPolarHBondContact O-CG 3.47Å; R487-E491 PolarHBondContact O-N 3.18Å
488	Y	69.4	Low	63.7	Low	155 Å²	155	111.5 Å²	111.5	61%	0.608	57%	0.566	S	S	*	*	H	α-helix	trans	-61.4	-42.8	174.2	-179	-93.5	0	0	0	111.3	T484 I485 N492	T484-Y488 WeakPolarHBondContact O-CB 3.47Å; T484-Y488 PolarHBondContact O-N 3.09Å; I485-Y488 PolarHBondContact O-N 3.12Å; Y488-N492 WeakPolarHBondContact CD2-ND2 3.34Å; Y488-N492 VanDerWaalsContact CE2-ND2 3.35Å; Y488-N492 WeakPolarHBondContact CE2-ND2 3.4Å; Y488-N492 WeakPolarHBondContact O-CB 3.41Å; Y488-N492 PolarHBondContact O-N 3.02Å; Y488-N492 VanDerWaalsContact O-N 3.15Å; Y488-N492 PolarHBondContact O-ND2 2.8Å
489	M	67.3	Low	63.1	Low	102 Å²	102	108.2 Å²	108.2	50%	0.502	56%	0.557	S	S	.	*	H	α-helix	trans	-64.2	-44.8	176.3	-71.1	-174.2	73	0	0	111.4	I485 A486 R487 N492 L493	I485-M489 HydrophobicContact CG2-CG 4.36Å; I485-M489 HydrophobicContact CG2-SD 4.12Å; I485-M489 WeakPolarHBondContact O-CG 3.4Å; I485-M489 PolarHBondContact O-N 3.14Å; A486-M489 PolarHBondContact O-N 2.81Å; R487-M489 VanDerWaalsContact C-N 3.33Å; R487-M489 PolarHBondContact O-N 2.94Å; M489-N492 PolarHBondContact O-N 3.02Å; M489-L493 HydrophobicContact CB-CD1 4.06Å; M489-L493 HydrophobicContact CE-CD1 4.26Å; M489-L493 WeakPolarHBondContact O-CB 3.26Å; M489-L493 WeakPolarHBondContact O-CD1 3.4Å; M489-L493 WeakPolarHBondContact O-CG 3.48Å; M489-L493 PolarHBondContact O-N 3.27Å
490	E	64.7	Low	62	Low	131 Å²	131	112.5 Å²	112.5	61%	0.612	58%	0.578	S	S	*	*	H	α-helix	trans	-65.3	-40.7	-179.6	-167.4	172.7	-152.8	0	0	112.7	A486 R487 N492 N494	A486-E490 WeakPolarHBondContact O-CB 3.39Å; A486-E490 PolarHBondContact O-N 3.36Å; R487-E490 PolarHBondContact O-N 3.44Å; E490-N492 VanDerWaalsContact C-N 3.31Å; E490-N492 PolarHBondContact O-N 3.37Å; E490-N494 PolarHBondContact O-ND2 3.14Å
491	E	66.3	Low	61.3	Low	123 Å²	123	114.2 Å²	114.2	58%	0.575	59%	0.586	S	S	*	*	H	α-helix	trans	-67.3	-30	176.2	-74.8	174.5	-170.9	0	0	112.8	R487 N495	R487-E491 WeakPolarHBondContact O-CB 3.47Å; R487-E491 WeakPolarHBondContact O-CG 3.47Å; R487-E491 PolarHBondContact O-N 3.18Å; E491-N495 PolarHBondContact O-ND2 2.97Å
492	N	57.7	Low	60.5	Low	74 Å²	74	120.4 Å²	120.4	40%	0.396	60%	0.602	S	S	.	*	H	α-helix	trans	-97.2	-26.7	-177.3	-71.5	-80.3	0	0	0	113.8	Y488 M489 E490 V496	Y488-N492 WeakPolarHBondContact CD2-ND2 3.34Å; Y488-N492 VanDerWaalsContact CE2-ND2 3.35Å; Y488-N492 WeakPolarHBondContact CE2-ND2 3.4Å; Y488-N492 WeakPolarHBondContact O-CB 3.41Å; Y488-N492 PolarHBondContact O-N 3.02Å; Y488-N492 VanDerWaalsContact O-N 3.15Å; Y488-N492 PolarHBondContact O-ND2 2.8Å; M489-N492 PolarHBondContact O-N 3.02Å; E490-N492 VanDerWaalsContact C-N 3.31Å; E490-N492 PolarHBondContact O-N 3.37Å; N492-V496 WeakPolarHBondContact O-CG2 3.49Å
493	L	57.7	Low	59.4	Low	108 Å²	108	127.1 Å²	127.1	57%	0.565	62%	0.622	S	S	*	*	H	α-helix	trans	-72.4	-34.6	-178.5	-79.3	165	0	0	0	112.6	M489 N495 V496	M489-L493 HydrophobicContact CB-CD1 4.06Å; M489-L493 HydrophobicContact CE-CD1 4.26Å; M489-L493 WeakPolarHBondContact O-CB 3.26Å; M489-L493 WeakPolarHBondContact O-CD1 3.4Å; M489-L493 WeakPolarHBondContact O-CG 3.48Å; M489-L493 PolarHBondContact O-N 3.27Å; L493-N495 PolarHBondContact O-N 3.25Å; L493-N495 VanDerWaalsContact O-N 3.17Å; L493-V496 PolarHBondContact O-N 3Å
494	N	54	Low	58.5	Low	133 Å²	133	127.8 Å²	127.8	71%	0.711	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-9.2	-177.7	-69.5	-29.8	0	0	0	114.1	E490	E490-N494 PolarHBondContact O-ND2 3.14Å
495	N	52.8	Low	57.8	Low	136 Å²	136	131.2 Å²	131.2	73%	0.727	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	2.4	179.6	-66.3	-38.3	0	0	0	113.6	E491 L493 E497	E491-N495 PolarHBondContact O-ND2 2.97Å; L493-N495 PolarHBondContact O-N 3.25Å; L493-N495 VanDerWaalsContact O-N 3.17Å; N495-E497 PolarHBondContact O-N 2.79Å
496	V	48.7	Very low	57.8	Low	85 Å²	85	130.8 Å²	130.8	52%	0.515	64%	0.64	S	S	.	*			trans	-89.9	92	175.1	-168.2	0	0	0	0	106.8	N492 L493 E498 P499	N492-V496 WeakPolarHBondContact O-CG2 3.49Å; L493-V496 PolarHBondContact O-N 3Å; V496-E498 PolarHBondContact O-N 3.04Å; V496-P499 HydrophobicContact CG1-CG 3.48Å; V496-P499 VanDerWaalsContact CG1-CG 3.48Å
497	E	51.3	Low	58.5	Low	185 Å²	185	136.4 Å²	136.4	86%	0.864	66%	0.657	S	S	*	*			trans	-43	115.7	155.7	-84.1	179.9	156.8	0	0	106.8	N495 P499	N495-E497 PolarHBondContact O-N 2.79Å; E497-P499 WeakPolarHBondContact O-CD 3.39Å; E497-P499 WeakPolarHBondContact O-CG 3.38Å
498	E	44.5	Very low	59.1	Low	177 Å²	177	134.7 Å²	134.7	83%	0.827	66%	0.657	S	S	*	*			trans	-36.4	98.3	-178	-159.1	168	-147.7	0	0	110.2	V496 D500	V496-E498 PolarHBondContact O-N 3.04Å; E498-D500 VanDerWaalsContact C-N 3.34Å; E498-D500 PolarHBondContact O-N 3.17Å
499	P	50.8	Low	59.5	Low	74 Å²	74	131 Å²	131	48%	0.481	65%	0.648	S	S	.	*			trans	-78.8	98.4	178.9	-0.1	18.8	0	0	0	104.3	V496 E497 E501	V496-P499 HydrophobicContact CG1-CG 3.48Å; V496-P499 VanDerWaalsContact CG1-CG 3.48Å; E497-P499 WeakPolarHBondContact O-CD 3.39Å; E497-P499 WeakPolarHBondContact O-CG 3.38Å; P499-E501 HydrophobicContact CB-CB 4.48Å; P499-E501 PolarHBondContact O-N 3.38Å
500	D	48.2	Very low	60	Low	158 Å²	158	130.7 Å²	130.7	85%	0.845	65%	0.645	S	S	*	*			trans	-55.7	-6.1	162.3	-97.9	-22.4	0	0	0	112.1	E498 R502	E498-D500 VanDerWaalsContact C-N 3.34Å; E498-D500 PolarHBondContact O-N 3.17Å; D500-R502 PolarHBondContact O-N 3.25Å
501	E	53.4	Low	61	Low	151 Å²	151	127.2 Å²	127.2	71%	0.706	63%	0.631	S	S	*	*	S	Bend	trans	-71.3	83.4	165.7	-64.9	-167	176	0	0	109.7	P499 F503	P499-E501 HydrophobicContact CB-CB 4.48Å; P499-E501 PolarHBondContact O-N 3.38Å; E501-F503 VanDerWaalsContact C-N 3.35Å; E501-F503 WeakPolarHBondContact O-CA 3.35Å; E501-F503 PolarHBondContact O-N 3.43Å
502	R	50.2	Low	62	Low	232 Å²	232	126.1 Å²	126.1	88%	0.875	63%	0.628	S	S	*	*			trans	-24.8	101.2	149.5	-166	-178.2	-150.5	-167.5	5.5	107.5	D500	D500-R502 PolarHBondContact O-N 3.25Å
503	F	49.4	Very low	63.5	Low	179 Å²	179	129.5 Å²	129.5	79%	0.785	64%	0.635	S	S	*	*			trans	-42.4	116.3	-171.5	-88.1	-91.1	0	0	0	107	E501 E505	E501-F503 VanDerWaalsContact C-N 3.35Å; E501-F503 WeakPolarHBondContact O-CA 3.35Å; E501-F503 PolarHBondContact O-N 3.43Å; F503-E505 PolarHBondContact O-N 3.5Å
504	P	55	Low	64.9	Low	101 Å²	101	132.4 Å²	132.4	66%	0.656	64%	0.639	S	S	*	*			trans	-52.9	118.2	-178.8	17.4	-27.7	0	0	0	104.7	D506	P504-D506 WeakPolarHBondContact O-CA 3.26Å; P504-D506 PolarHBondContact O-N 3.36Å
505	E	62	Low	66.8	Low	159 Å²	159	133.7 Å²	133.7	74%	0.743	63%	0.634	S	S	*	*			trans	-55.3	97.7	-174.5	-85	165.1	149.1	0	0	106.5	F503 E507	F503-E505 PolarHBondContact O-N 3.5Å; E505-E507 PolarHBondContact O-N 3.44Å
506	D	73	Confident	68.8	Low	84 Å²	84	135.6 Å²	135.6	45%	0.449	63%	0.631	S	S	.	*			trans	-62.7	114.5	-172.9	177.1	-6.5	0	0	0	104.8	P504 I508 L509 H510	P504-D506 WeakPolarHBondContact O-CA 3.26Å; P504-D506 PolarHBondContact O-N 3.36Å; D506-I508 PolarHBondContact O-N 3.08Å; D506-I508 VanDerWaalsContact OD1-CB 3.27Å; D506-I508 WeakPolarHBondContact OD1-CB 3.24Å; D506-I508 WeakPolarHBondContact OD1-CG1 3.4Å; D506-I508 PolarHBondContact OD1-N 2.93Å; D506-L509 HydrophobicContact CB-CB 3.83Å; D506-L509 CarbonylContact O-C 3.43Å; D506-L509 WeakPolarHBondContact O-CA 3.3Å; D506-L509 WeakPolarHBondContact O-CB 3.39Å; D506-L509 PolarHBondContact O-N 3.36Å; D506-H510 PolarHBondContact O-N 3.48Å
507	E	82.4	Confident	70.8	Confident	170 Å²	170	135.5 Å²	135.5	79%	0.794	63%	0.631	S	S	*	*	H	α-helix	trans	-53.1	-31.3	-177.9	-71	-177	170.1	0	0	110.5	E505 D511	E505-E507 PolarHBondContact O-N 3.44Å; E507-D511 WeakPolarHBondContact O-CB 3.36Å; E507-D511 PolarHBondContact O-N 3.15Å
508	I	82	Confident	72.8	Confident	111 Å²	111	130.6 Å²	130.6	57%	0.569	61%	0.61	S	S	*	*	H	α-helix	trans	-67.6	-45.5	174.6	-56	175.5	0	0	0	110.4	D506 H510 D511 L512	D506-I508 PolarHBondContact O-N 3.08Å; D506-I508 VanDerWaalsContact OD1-CB 3.27Å; D506-I508 WeakPolarHBondContact OD1-CB 3.24Å; D506-I508 WeakPolarHBondContact OD1-CG1 3.4Å; D506-I508 PolarHBondContact OD1-N 2.93Å; I508-H510 VanDerWaalsContact C-N 3.34Å; I508-D511 PolarHBondContact O-N 2.84Å; I508-L512 HydrophobicContact CG2-CD1 4.01Å; I508-L512 HydrophobicContact CG2-CG 4.38Å; I508-L512 WeakPolarHBondContact O-CB 3.35Å; I508-L512 VanDerWaalsContact O-CG 3.24Å; I508-L512 WeakPolarHBondContact O-CG 3.49Å; I508-L512 PolarHBondContact O-N 3.03Å
509	L	77.8	Confident	75.2	Confident	77 Å²	77	125.4 Å²	125.4	40%	0.403	59%	0.592	S	S	.	*	H	α-helix	trans	-64.8	-39.6	177.5	-173.2	61.9	0	0	0	111.3	D506 L512 R513	D506-L509 HydrophobicContact CB-CB 3.83Å; D506-L509 CarbonylContact O-C 3.43Å; D506-L509 WeakPolarHBondContact O-CA 3.3Å; D506-L509 WeakPolarHBondContact O-CB 3.39Å; D506-L509 PolarHBondContact O-N 3.36Å; L509-L512 PolarHBondContact O-N 2.87Å; L509-R513 WeakPolarHBondContact O-CB 3.46Å; L509-R513 VanDerWaalsContact O-CG 3.26Å; L509-R513 WeakPolarHBondContact O-CG 3.37Å; L509-R513 PolarHBondContact O-N 2.73Å
510	H	77.3	Confident	77.2	Confident	96 Å²	96	124.9 Å²	124.9	44%	0.444	59%	0.585	S	S	.	*	H	α-helix	trans	-64.7	-43.9	175.2	-169.1	-60.8	0	0	0	111.4	D506 I508 R513 R514	D506-H510 PolarHBondContact O-N 3.48Å; I508-H510 VanDerWaalsContact C-N 3.34Å; H510-R513 PolarHBondContact O-N 3.09Å; H510-R514 WeakPolarHBondContact O-CB 3.37Å; H510-R514 PolarHBondContact O-N 2.77Å
511	D	87.2	Confident	79.3	Confident	58 Å²	58	122.2 Å²	122.2	31%	0.31	57%	0.57	S	S	.	*	H	α-helix	trans	-63.2	-43.8	174.7	-177.8	41.7	0	0	0	111.6	E507 I508 R513 R514 R515	E507-D511 WeakPolarHBondContact O-CB 3.36Å; E507-D511 PolarHBondContact O-N 3.15Å; I508-D511 PolarHBondContact O-N 2.84Å; D511-R513 PolarHBondContact O-N 2.89Å; D511-R514 PolarHBondContact O-N 3.06Å; D511-R515 VanDerWaalsContact CG-NE 3.34Å; D511-R515 WeakPolarHBondContact O-CB 3.49Å; D511-R515 VanDerWaalsContact O-CG 3.3Å; D511-R515 WeakPolarHBondContact O-CG 3.43Å; D511-R515 PolarHBondContact O-N 2.77Å; D511-R515 IonicContact OD1-CZ 3.04Å; D511-R515 IonicContact OD1-NE 2.91Å; D511-R515 PolarHBondContact OD1-NE 3.17Å; D511-R515 VanDerWaalsContact OD1-NE 3.13Å; D511-R515 IonicContact OD1-NH2 2.67Å; D511-R515 IonicContact OD2-CZ 2.68Å; D511-R515 IonicContact OD2-NE 3.78Å; D511-R515 PolarHBondContact OD2-NE 2.78Å; D511-R515 IonicContact OD2-NH2 3.91Å; D511-R515 PolarHBondContact OD2-NH2 3.34Å
512	L	87.4	Confident	81.3	Confident	100 Å²	100	121.5 Å²	121.5	52%	0.524	57%	0.565	S	S	.	*	H	α-helix	trans	-61.2	-43.8	175.3	-75	172.1	0	0	0	112	I508 L509 R515 R516	I508-L512 HydrophobicContact CG2-CD1 4.01Å; I508-L512 HydrophobicContact CG2-CG 4.38Å; I508-L512 WeakPolarHBondContact O-CB 3.35Å; I508-L512 VanDerWaalsContact O-CG 3.24Å; I508-L512 WeakPolarHBondContact O-CG 3.49Å; I508-L512 PolarHBondContact O-N 3.03Å; L509-L512 PolarHBondContact O-N 2.87Å; L512-R515 PolarHBondContact O-N 2.86Å; L512-R516 VanDerWaalsContact O-CB 3.31Å; L512-R516 WeakPolarHBondContact O-CB 3.43Å; L512-R516 PolarHBondContact O-N 3.42Å
513	R	87.4	Confident	83.3	Confident	145 Å²	145	115.6 Å²	115.6	55%	0.547	55%	0.548	S	S	.	.	H	α-helix	trans	-60.6	-46.6	174.4	-75.6	176	-172.7	178	3.3	110.9	L509 H510 D511 R515 R516 T517	L509-R513 WeakPolarHBondContact O-CB 3.46Å; L509-R513 VanDerWaalsContact O-CG 3.26Å; L509-R513 WeakPolarHBondContact O-CG 3.37Å; L509-R513 PolarHBondContact O-N 2.73Å; H510-R513 PolarHBondContact O-N 3.09Å; D511-R513 PolarHBondContact O-N 2.89Å; R513-R515 PolarHBondContact O-N 2.83Å; R513-R516 PolarHBondContact O-N 2.9Å; R513-T517 PolarHBondContact O-N 3.14Å; R513-T517 PolarHBondContact O-OG1 3.43Å; R513-T517 VanDerWaalsContact O-OG1 3.09Å
514	R	88.5	Confident	85.4	Confident	169 Å²	169	115 Å²	115	64%	0.638	54%	0.541	S	S	*	.	H	α-helix	trans	-59.4	-47.4	177.1	-177.8	-175.6	-76	-170.9	-2	111.8	H510 D511 T517 N518	H510-R514 WeakPolarHBondContact O-CB 3.37Å; H510-R514 PolarHBondContact O-N 2.77Å; D511-R514 PolarHBondContact O-N 3.06Å; R514-T517 PolarHBondContact O-N 3.03Å; R514-N518 WeakPolarHBondContact O-CB 3.29Å; R514-N518 PolarHBondContact O-N 3.08Å
515	R	92.7	Very high	87.2	Confident	160 Å²	160	115.3 Å²	115.3	60%	0.604	54%	0.536	S	S	*	.	H	α-helix	trans	-63.4	-42.4	178.3	-71.1	178.3	-167.6	-160.8	7.7	111.9	D511 L512 R513 N518 C519	D511-R515 VanDerWaalsContact CG-NE 3.34Å; D511-R515 WeakPolarHBondContact O-CB 3.49Å; D511-R515 VanDerWaalsContact O-CG 3.3Å; D511-R515 WeakPolarHBondContact O-CG 3.43Å; D511-R515 PolarHBondContact O-N 2.77Å; D511-R515 IonicContact OD1-CZ 3.04Å; D511-R515 IonicContact OD1-NE 2.91Å; D511-R515 PolarHBondContact OD1-NE 3.17Å; D511-R515 VanDerWaalsContact OD1-NE 3.13Å; D511-R515 IonicContact OD1-NH2 2.67Å; D511-R515 IonicContact OD2-CZ 2.68Å; D511-R515 IonicContact OD2-NE 3.78Å; D511-R515 PolarHBondContact OD2-NE 2.78Å; D511-R515 IonicContact OD2-NH2 3.91Å; D511-R515 PolarHBondContact OD2-NH2 3.34Å; L512-R515 PolarHBondContact O-N 2.86Å; R513-R515 PolarHBondContact O-N 2.83Å; R515-N518 PolarHBondContact O-N 3.43Å; R515-C519 WeakPolarHBondContact O-CB 3.47Å; R515-C519 PolarHBondContact O-N 3.16Å
516	R	95.3	Very high	88.6	Confident	177 Å²	177	111.2 Å²	111.2	67%	0.668	52%	0.522	S	S	*	.	H	α-helix	trans	-58.2	-49.8	174.4	178.7	-174.3	171.2	-143.9	-1.6	110.9	L512 R513 N518 C519 I520	L512-R516 VanDerWaalsContact O-CB 3.31Å; L512-R516 WeakPolarHBondContact O-CB 3.43Å; L512-R516 PolarHBondContact O-N 3.42Å; R513-R516 PolarHBondContact O-N 2.9Å; R516-N518 PolarHBondContact O-N 2.81Å; R516-C519 PolarHBondContact O-N 3.37Å; R516-I520 HydrophobicContact CG-CD1 3.92Å; R516-I520 WeakPolarHBondContact O-CG1 3.41Å; R516-I520 PolarHBondContact O-N 3.06Å
517	T	91.5	Very high	89.4	Confident	83 Å²	83	111.3 Å²	111.3	51%	0.509	52%	0.521	S	S	.	.	H	α-helix	trans	-60.6	-44.5	178.5	-59.4	0	0	0	0	111.6	R513 R514 C519 I520 L521	R513-T517 PolarHBondContact O-N 3.14Å; R513-T517 PolarHBondContact O-OG1 3.43Å; R513-T517 VanDerWaalsContact O-OG1 3.09Å; R514-T517 PolarHBondContact O-N 3.03Å; T517-C519 PolarHBondContact O-N 3.35Å; T517-I520 PolarHBondContact O-N 2.66Å; T517-L521 HydrophobicContact CG2-CD1 4.24Å; T517-L521 WeakPolarHBondContact O-CG 3.37Å; T517-L521 PolarHBondContact O-N 2.77Å
518	N	93.2	Very high	89.8	Confident	82 Å²	82	110.3 Å²	110.3	44%	0.439	51%	0.514	S	S	.	.	H	α-helix	trans	-61.7	-42.8	177.1	-167.4	-67	0	0	0	112	R514 R515 R516 L521 K522	R514-N518 WeakPolarHBondContact O-CB 3.29Å; R514-N518 PolarHBondContact O-N 3.08Å; R515-N518 PolarHBondContact O-N 3.43Å; R516-N518 PolarHBondContact O-N 2.81Å; N518-L521 PolarHBondContact O-N 2.73Å; N518-K522 WeakPolarHBondContact O-CG 3.49Å; N518-K522 PolarHBondContact O-N 2.78Å; N518-K522 WeakPolarHBondContact OD1-CE 3.35Å
519	C	93.5	Very high	90.1	Very high	67 Å²	67	109.5 Å²	109.5	45%	0.453	51%	0.508	S	S	.	.	H	α-helix	trans	-61	-46	176.1	-176.2	0	0	0	0	111.8	R515 R516 T517 L521 K522 M523	R515-C519 WeakPolarHBondContact O-CB 3.47Å; R515-C519 PolarHBondContact O-N 3.16Å; R516-C519 PolarHBondContact O-N 3.37Å; T517-C519 PolarHBondContact O-N 3.35Å; C519-L521 VanDerWaalsContact C-N 3.34Å; C519-L521 PolarHBondContact O-N 3.19Å; C519-K522 PolarHBondContact O-N 3.44Å; C519-M523 WeakPolarHBondContact O-CG 3.44Å; C519-M523 PolarHBondContact O-N 3.06Å
520	I	93.6	Very high	90.6	Very high	64 Å²	64	109.6 Å²	109.6	33%	0.328	51%	0.508	S	S	.	.	H	α-helix	trans	-61.1	-43	177.1	-67.8	167.3	0	0	0	111.2	R516 T517 M523 R524	R516-I520 HydrophobicContact CG-CD1 3.92Å; R516-I520 WeakPolarHBondContact O-CG1 3.41Å; R516-I520 PolarHBondContact O-N 3.06Å; T517-I520 PolarHBondContact O-N 2.66Å; I520-M523 PolarHBondContact O-N 2.84Å; I520-R524 WeakPolarHBondContact O-CG 3.4Å; I520-R524 PolarHBondContact O-N 3.41Å
521	L	92.1	Very high	90.9	Very high	102 Å²	102	110.7 Å²	110.7	53%	0.534	51%	0.513	S	S	.	.	H	α-helix	trans	-63.1	-44	176.9	-73.2	172	0	0	0	111.9	T517 N518 C519 R524 L525	T517-L521 HydrophobicContact CG2-CD1 4.24Å; T517-L521 WeakPolarHBondContact O-CG 3.37Å; T517-L521 PolarHBondContact O-N 2.77Å; N518-L521 PolarHBondContact O-N 2.73Å; C519-L521 VanDerWaalsContact C-N 3.34Å; C519-L521 PolarHBondContact O-N 3.19Å; L521-R524 PolarHBondContact O-N 2.78Å; L521-L525 PolarHBondContact O-N 2.83Å
522	K	95	Very high	90.9	Very high	135 Å²	135	113.2 Å²	113.2	59%	0.587	52%	0.523	S	S	*	.	H	α-helix	trans	-60.5	-45.1	174.5	-76	-179	174.9	-177	0	111.9	N518 C519 R524 L525 V526	N518-K522 WeakPolarHBondContact O-CG 3.49Å; N518-K522 PolarHBondContact O-N 2.78Å; N518-K522 WeakPolarHBondContact OD1-CE 3.35Å; C519-K522 PolarHBondContact O-N 3.44Å; K522-R524 VanDerWaalsContact C-N 3.33Å; K522-R524 PolarHBondContact O-N 2.73Å; K522-L525 WeakPolarHBondContact O-CB 3.43Å; K522-L525 PolarHBondContact O-N 2.86Å; K522-V526 WeakPolarHBondContact O-CG2 3.45Å; K522-V526 PolarHBondContact O-N 2.81Å
523	M	93.7	Very high	90.7	Very high	108 Å²	108	116.6 Å²	116.6	53%	0.532	53%	0.529	S	S	.	.	H	α-helix	trans	-60.5	-41.9	176.3	-72.8	179.8	71.9	0	0	111.9	C519 I520 V526 M527	C519-M523 WeakPolarHBondContact O-CG 3.44Å; C519-M523 PolarHBondContact O-N 3.06Å; I520-M523 PolarHBondContact O-N 2.84Å; M523-V526 PolarHBondContact O-N 3.23Å; M523-M527 HydrophobicContact CB-CE 3.98Å; M523-M527 WeakPolarHBondContact O-CB 3.15Å; M523-M527 WeakPolarHBondContact O-CE 3.37Å; M523-M527 WeakPolarHBondContact O-CG 3.18Å; M523-M527 PolarHBondContact O-N 3.43Å
524	R	93.2	Very high	90.5	Very high	168 Å²	168	114.6 Å²	114.6	63%	0.634	53%	0.525	S	S	*	.	H	α-helix	trans	-62	-41.1	175.3	-75.9	179.8	177.7	176.1	-0.7	112.4	I520 L521 K522 M527 K528	I520-R524 WeakPolarHBondContact O-CG 3.4Å; I520-R524 PolarHBondContact O-N 3.41Å; L521-R524 PolarHBondContact O-N 2.78Å; K522-R524 VanDerWaalsContact C-N 3.33Å; K522-R524 PolarHBondContact O-N 2.73Å; R524-M527 PolarHBondContact O-N 3.32Å; R524-K528 PolarHBondContact O-N 3.14Å
525	L	91.6	Very high	90.1	Very high	106 Å²	106	108.8 Å²	108.8	56%	0.555	51%	0.514	S	S	*	.	H	α-helix	trans	-62.3	-48.7	176.5	-166.6	90.8	0	0	0	111.2	L521 K522 M527 K528 Q529	L521-L525 PolarHBondContact O-N 2.83Å; K522-L525 WeakPolarHBondContact O-CB 3.43Å; K522-L525 PolarHBondContact O-N 2.86Å; L525-M527 PolarHBondContact O-N 3.06Å; L525-K528 WeakPolarHBondContact O-CB 3.37Å; L525-K528 PolarHBondContact O-N 2.94Å; L525-K528 VanDerWaalsContact O-N 3.17Å; L525-Q529 PolarHBondContact O-N 3.1Å
526	V	92.4	Very high	89.7	Confident	73 Å²	73	106.2 Å²	106.2	44%	0.442	51%	0.509	S	S	.	.	H	α-helix	trans	-61.8	-44.8	178.4	172.3	0	0	0	0	110.9	K522 M523 K528 Q529 I530	K522-V526 WeakPolarHBondContact O-CG2 3.45Å; K522-V526 PolarHBondContact O-N 2.81Å; M523-V526 PolarHBondContact O-N 3.23Å; V526-K528 VanDerWaalsContact C-N 3.28Å; V526-K528 PolarHBondContact O-N 2.77Å; V526-Q529 PolarHBondContact O-N 3.13Å; V526-I530 HydrophobicContact CG1-CD1 3.8Å; V526-I530 HydrophobicContact CG1-CG1 4.37Å; V526-I530 WeakPolarHBondContact O-CG1 3.48Å; V526-I530 PolarHBondContact O-N 3Å
527	M	89.4	Confident	89	Confident	87 Å²	87	103.9 Å²	103.9	43%	0.429	51%	0.509	S	S	.	.	H	α-helix	trans	-58.7	-40.1	175	-79.7	-176.3	-90.8	0	0	112.2	M523 R524 L525 I530 H531	M523-M527 HydrophobicContact CB-CE 3.98Å; M523-M527 WeakPolarHBondContact O-CB 3.15Å; M523-M527 WeakPolarHBondContact O-CE 3.37Å; M523-M527 WeakPolarHBondContact O-CG 3.18Å; M523-M527 PolarHBondContact O-N 3.43Å; R524-M527 PolarHBondContact O-N 3.32Å; L525-M527 PolarHBondContact O-N 3.06Å; M527-I530 PolarHBondContact O-N 2.89Å; M527-H531 VanDerWaalsContact O-CG 3.25Å; M527-H531 PolarHBondContact O-N 3.1Å; M527-H531 PolarHBondContact O-ND1 3.42Å
528	K	90.7	Very high	88.3	Confident	148 Å²	148	107 Å²	107	64%	0.643	52%	0.522	S	S	*	.	H	α-helix	trans	-63.4	-44.2	176.3	-170.6	-178.3	176.4	-172.5	0	111.7	R524 L525 V526 H531 E532	R524-K528 PolarHBondContact O-N 3.14Å; L525-K528 WeakPolarHBondContact O-CB 3.37Å; L525-K528 PolarHBondContact O-N 2.94Å; L525-K528 VanDerWaalsContact O-N 3.17Å; V526-K528 VanDerWaalsContact C-N 3.28Å; V526-K528 PolarHBondContact O-N 2.77Å; K528-H531 PolarHBondContact O-N 2.9Å; K528-E532 WeakPolarHBondContact O-CB 3.33Å; K528-E532 PolarHBondContact O-N 3.39Å
529	Q	89.4	Confident	87.5	Confident	94 Å²	94	109.9 Å²	109.9	44%	0.439	54%	0.537	S	S	.	.	H	α-helix	trans	-64.2	-39.2	176.8	-70.7	175.6	-20.3	0	0	112.4	L525 V526 E532 R533	L525-Q529 PolarHBondContact O-N 3.1Å; V526-Q529 PolarHBondContact O-N 3.13Å; Q529-E532 PolarHBondContact O-N 2.8Å; Q529-R533 WeakPolarHBondContact O-CG 3.27Å; Q529-R533 PolarHBondContact O-N 3.16Å
530	I	87.7	Confident	86.1	Confident	79 Å²	79	115.7 Å²	115.7	41%	0.405	56%	0.564	S	S	.	*	H	α-helix	trans	-62.5	-51	174.9	-68.7	167.8	0	0	0	109.9	V526 M527 E532 R533 E534	V526-I530 HydrophobicContact CG1-CD1 3.8Å; V526-I530 HydrophobicContact CG1-CG1 4.37Å; V526-I530 WeakPolarHBondContact O-CG1 3.48Å; V526-I530 PolarHBondContact O-N 3Å; M527-I530 PolarHBondContact O-N 2.89Å; I530-E532 VanDerWaalsContact C-N 3.28Å; I530-E532 PolarHBondContact O-N 3.21Å; I530-R533 PolarHBondContact O-N 2.73Å; I530-E534 HydrophobicContact CG2-CG 4.22Å; I530-E534 WeakPolarHBondContact O-CB 3.39Å; I530-E534 WeakPolarHBondContact O-CG 3.1Å; I530-E534 PolarHBondContact O-N 2.76Å
531	H	83.3	Confident	85.7	Confident	120 Å²	120	118.3 Å²	118.3	56%	0.556	58%	0.575	S	S	*	*	H	α-helix	trans	-60.3	-37.1	178.8	-67.4	162.3	0	0	0	112.7	M527 K528 E534 A535	M527-H531 VanDerWaalsContact O-CG 3.25Å; M527-H531 PolarHBondContact O-N 3.1Å; M527-H531 PolarHBondContact O-ND1 3.42Å; K528-H531 PolarHBondContact O-N 2.9Å; H531-E534 IonicContact CD2-OE2 3.13Å; H531-A535 WeakPolarHBondContact O-CB 3.47Å; H531-A535 PolarHBondContact O-N 3.16Å
532	E	87	Confident	85.3	Confident	110 Å²	110	119.2 Å²	119.2	51%	0.514	58%	0.578	S	S	.	*	H	α-helix	trans	-65.8	-45.8	176.7	-175.9	172.4	-174.7	0	0	111.7	K528 Q529 I530 A535 Q536	K528-E532 WeakPolarHBondContact O-CB 3.33Å; K528-E532 PolarHBondContact O-N 3.39Å; Q529-E532 PolarHBondContact O-N 2.8Å; I530-E532 VanDerWaalsContact C-N 3.28Å; I530-E532 PolarHBondContact O-N 3.21Å; E532-A535 PolarHBondContact O-N 3.23Å; E532-Q536 WeakPolarHBondContact O-CG 3.31Å; E532-Q536 PolarHBondContact O-N 3.31Å
533	R	84.5	Confident	84.8	Confident	171 Å²	171	118.3 Å²	118.3	65%	0.645	58%	0.577	S	S	*	*	H	α-helix	trans	-64.2	-40.8	174.5	-73.4	-177.8	-177.8	162.9	-0.4	112.1	Q529 I530 A535 Q536 L537	Q529-R533 WeakPolarHBondContact O-CG 3.27Å; Q529-R533 PolarHBondContact O-N 3.16Å; I530-R533 PolarHBondContact O-N 2.73Å; R533-A535 VanDerWaalsContact C-N 3.34Å; R533-A535 PolarHBondContact O-N 3.15Å; R533-Q536 PolarHBondContact O-N 2.97Å; R533-L537 WeakPolarHBondContact O-CB 3.48Å; R533-L537 VanDerWaalsContact O-CG 3.31Å; R533-L537 WeakPolarHBondContact O-CG 3.5Å; R533-L537 PolarHBondContact O-N 3.12Å
534	E	82.4	Confident	84.3	Confident	103 Å²	103	118.9 Å²	118.9	48%	0.481	58%	0.58	S	S	.	*	H	α-helix	trans	-61.2	-42	175.1	-75.4	178.2	163.8	0	0	111.5	I530 H531 L537 L538	I530-E534 HydrophobicContact CG2-CG 4.22Å; I530-E534 WeakPolarHBondContact O-CB 3.39Å; I530-E534 WeakPolarHBondContact O-CG 3.1Å; I530-E534 PolarHBondContact O-N 2.76Å; H531-E534 IonicContact CD2-OE2 3.13Å; E534-L537 PolarHBondContact O-N 3.19Å; E534-L538 VanDerWaalsContact O-CG 3.31Å; E534-L538 WeakPolarHBondContact O-CG 3.04Å; E534-L538 PolarHBondContact O-N 2.76Å
535	A	80.5	Confident	83.7	Confident	48 Å²	48	115.8 Å²	115.8	40%	0.397	58%	0.576	S	S	.	*	H	α-helix	trans	-64.8	-38.9	175.6	0	0	0	0	0	112.5	H531 E532 R533 L538 N539	H531-A535 WeakPolarHBondContact O-CB 3.47Å; H531-A535 PolarHBondContact O-N 3.16Å; E532-A535 PolarHBondContact O-N 3.23Å; R533-A535 VanDerWaalsContact C-N 3.34Å; R533-A535 PolarHBondContact O-N 3.15Å; A535-L538 PolarHBondContact O-N 2.93Å; A535-N539 WeakPolarHBondContact O-CB 3.38Å; A535-N539 VanDerWaalsContact O-CG 3.28Å; A535-N539 PolarHBondContact O-N 2.83Å; A535-N539 VanDerWaalsContact O-N 3.15Å; A535-N539 PolarHBondContact O-ND2 3.2Å
536	Q	83.4	Confident	83.2	Confident	106 Å²	106	116.5 Å²	116.5	50%	0.495	58%	0.578	S	S	.	*	H	α-helix	trans	-64.5	-41.8	174.1	-70.4	172.1	7.5	0	0	111.8	E532 R533 L538 N539 N540	E532-Q536 WeakPolarHBondContact O-CG 3.31Å; E532-Q536 PolarHBondContact O-N 3.31Å; R533-Q536 PolarHBondContact O-N 2.97Å; Q536-L538 VanDerWaalsContact C-N 3.32Å; Q536-L538 PolarHBondContact O-N 2.98Å; Q536-N539 PolarHBondContact O-N 2.81Å; Q536-N540 PolarHBondContact O-N 3.14Å
537	L	81.2	Confident	82.6	Confident	128 Å²	128	119.6 Å²	119.6	67%	0.67	59%	0.588	S	S	*	*	H	α-helix	trans	-68.7	-28	177.7	-72.2	172	0	0	0	113.4	R533 E534	R533-L537 WeakPolarHBondContact O-CB 3.48Å; R533-L537 VanDerWaalsContact O-CG 3.31Å; R533-L537 WeakPolarHBondContact O-CG 3.5Å; R533-L537 PolarHBondContact O-N 3.12Å; E534-L537 PolarHBondContact O-N 3.19Å
538	L	77.8	Confident	82	Confident	148 Å²	148	122.1 Å²	122.1	78%	0.775	60%	0.6	S	S	*	*	H	α-helix	trans	-81.7	-20.9	175.3	-72.3	170.8	0	0	0	113.3	E534 A535 Q536	E534-L538 VanDerWaalsContact O-CG 3.31Å; E534-L538 WeakPolarHBondContact O-CG 3.04Å; E534-L538 PolarHBondContact O-N 2.76Å; A535-L538 PolarHBondContact O-N 2.93Å; Q536-L538 VanDerWaalsContact C-N 3.32Å; Q536-L538 PolarHBondContact O-N 2.98Å
539	N	76.3	Confident	81.3	Confident	143 Å²	143	119.9 Å²	119.9	77%	0.765	60%	0.596	S	S	*	*	H	α-helix	trans	-89.8	-12.6	177.3	-73.5	-26.5	0	0	0	113.3	A535 Q536	A535-N539 WeakPolarHBondContact O-CB 3.38Å; A535-N539 VanDerWaalsContact O-CG 3.28Å; A535-N539 PolarHBondContact O-N 2.83Å; A535-N539 VanDerWaalsContact O-N 3.15Å; A535-N539 PolarHBondContact O-ND2 3.2Å; Q536-N539 PolarHBondContact O-N 2.81Å
540	N	62.3	Low	80.6	Confident	189 Å²	189	122.3 Å²	122.3	100%	1.011	61%	0.61	S	S	*	*			trans	-95.6	0	169.7	-71	-22.6	0	0	0	110.3	Q536	Q536-N540 PolarHBondContact O-N 3.14Å

Retrieved 540 of 540 residues in 88.7 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).