A0A096M3G0_POEFO Loading...

Fibrosin like 1

AlphaFold DB , UniProt , Accession A0A096M3G0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,269 aa.

						>A0A096M3G0_POEFO|A0A096M3G0
MQALSNNMDGKLKQGRRCRAKRERVRRLREPGSKDARSPEPNSSCSDREGQSPGRDAASPAAKKTPHPAAAARAPRPPRRKRRESSSQEEDIIDGFAIASFISLERLEKKTGVMKKETKEWWKEKKTTKRQKQEDEDKEEEEENVQPAVDPLENGFLHHAQREQERMNERLLKKTYSKKNKTIKPLAPRPVKLREDETFQEFSRPHRSNSKEQLSESSAHSLSGRGYSVQPAAVALHKCDSESDIDDKVSDVGSEKLFSPTAPKGVPANESSVSKTCGSAKVSGLQRSQEQSNTEVPFAPPVPSPTPASAPTGSPALAAAAAPPELRGSRLPTPPPLSVKKEQQPPPPVPTPPLLKAPPHAPPHLPHPHSHPEPRVLPPPPHHARPVISHQVHHPLQYNSLHDISHSSSPLGLAKQHLPPSPHHHLSGLPSSAPALPLSIANLSTSHYSSLRSPAHRHSAMFATPATLPPPPTLPTNSLVVPGHPAGTPYPDTSLLISFNQPIMYCQPHSGILIGTLSQATLLPPPMSPHVENPHSMSWRNRECQFDKYTPKLDNPFIRHSNFFPSYPPTMPGMPPLLPHSGPFSSLQGAFQPKASNPIDVAARPGAVPHTLLQKDPRMSDPFRTSVRKPGKWCAVHVQIAWQIYHHQQKMKQMQLDPHKLDMNGKLDLFSRPPAPGVFPGFPYPHDLARPLFPSTGSAHPAPSPYGSAPHPSGFLPPSHLADPFSRSSSFGGLGNLSTSAFGGLGNPSLGSNSVFGSKEGPGGLPTFGSPHHDTWNRLRRTPPSFPTPPQWPKTGEAERSSSANSHDRERDRERERERDREKRDSSIGKEEKDKDRDSVDRNRHSNRSSPASAPVSYQISSLIRSNSQNSSDSGRHHSGSVDRVREAEKELLERQRESSLADIKVKESRSPGKEMLERRTSEDSIKPTQRTPSPYSKAMINEQSMKLAGGLPSAIKDIERKEPPSAELLHKVKNDMKIKEERKEEQEVMVVSSEPAPQPAVQILPVPVSQPGNPHHHHPPLSQQPPLPSPRGSDIPTPGLHGVPMSHSLPLSMSAMPQMGSLNVLDRARMAPFMGVSPLAGRERVPHTAFPWDPLREAYRSLDLQRRMDFQLRAEQGHRFPSVYEQERAYREREAHDYSHHEHLLEVRREHERMRQQAEERERLHLREELDRARLHQLHQSPMEGHLPHMPPFMAHLGGMPYPRLSPSTGHNGPLNRTPPTAALSAPPPLVPAGSARPASPRRTTPLTTTQDPRDYSPSRNPKEVEAR
					

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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	34.8	Very low	32	Very low	230 Å²	230	139.1 Å²	139.1	100%	1.133	77%	0.765	S	S	*	*				0	176.1	0	-77.1	-174.2	178.5	0	0	108.6
2	Q	29.9	Very low	31.9	Very low	168 Å²	168	140.4 Å²	140.4	79%	0.785	77%	0.769	S	S	*	*			trans	-36.2	131.3	-175.1	-65.9	88.3	-8.2	0	0	113.2
3	A	34.7	Very low	31.8	Very low	86 Å²	86	145.6 Å²	145.6	71%	0.711	78%	0.78	S	S	*	*				61.1	123.1	59.1	0	0	0	0	0	112.9
4	L	34.5	Very low	31.6	Very low	173 Å²	173	147.9 Å²	147.9	91%	0.906	78%	0.783	S	S	*	*			trans	-168.6	129.7	130.4	-104.3	167	0	0	0	111.4
5	S	37.1	Very low	31.4	Very low	87 Å²	87	142.7 Å²	142.7	61%	0.608	78%	0.779	S	S	*	*			trans	-20.2	148.5	162.1	-176.9	0	0	0	0	118.1
6	N	28.5	Very low	31.3	Very low	139 Å²	139	145.5 Å²	145.5	74%	0.743	78%	0.775	S	S	*	*				-177.5	139	108.3	-87.3	-25.8	0	0	0	116.9
7	N	31.5	Very low	31.3	Very low	133 Å²	133	148.2 Å²	148.2	71%	0.711	77%	0.772	S	S	*	*			trans	83.6	111.9	136.9	-79.2	-13.5	0	0	0	124
8	M	30.2	Very low	31.1	Very low	152 Å²	152	146.7 Å²	146.7	75%	0.749	77%	0.774	S	S	*	*				108.3	131.3	116.2	-69.3	-81.9	-79.3	0	0	121.3
9	D	31.5	Very low	31	Very low	122 Å²	122	151.9 Å²	151.9	65%	0.652	78%	0.782	S	S	*	*			trans	40.1	130.3	151.8	-81.1	-59	0	0	0	121
10	G	29.1	Very low	30.8	Very low	63 Å²	63	148.3 Å²	148.3	65%	0.649	78%	0.775	S	S	*	*			cis	131.5	143.2	20.2	0	0	0	0	0	112.8
11	K	30.4	Very low	30.8	Very low	177 Å²	177	148 Å²	148	77%	0.77	77%	0.768	S	S	*	*			trans	73.3	108.3	159.2	-61.9	172.8	-179.3	124.6	0	120.7
12	L	30.7	Very low	30.8	Very low	155 Å²	155	147 Å²	147	81%	0.812	75%	0.751	S	S	*	*				47.9	123.7	117	-64.4	162.2	0	0	0	120.1
13	K	31.2	Very low	30.9	Very low	208 Å²	208	143.2 Å²	143.2	90%	0.904	73%	0.734	S	S	*	*				-165.4	148.7	107.7	-109.7	156.6	-171.4	163.9	0	116.7
14	Q	28.8	Very low	30.9	Very low	178 Å²	178	146.1 Å²	146.1	83%	0.832	73%	0.726	S	S	*	*			trans	-65.5	144.9	162	-65.2	176.4	-11.2	0	0	112.2
15	G	28.9	Very low	30.7	Very low	70 Å²	70	139.1 Å²	139.1	72%	0.722	69%	0.691	S	S	*	*			trans	142.2	160.2	137.9	0	0	0	0	0	117.4
16	R	29.6	Very low	30.4	Very low	187 Å²	187	144.5 Å²	144.5	71%	0.706	70%	0.698	S	S	*	*			cis	-161.8	136.6	-9.2	-112.2	-176.3	-173.3	-160.6	3.5	110.8
17	R	30.1	Very low	30.5	Very low	192 Å²	192	149.3 Å²	149.3	73%	0.725	71%	0.705	S	S	*	*			trans	49	116.4	138.5	-60.1	172.9	-171.7	-161.3	-0.9	120
18	C	28.9	Very low	30.3	Very low	120 Å²	120	151 Å²	151	81%	0.811	71%	0.713	S	S	*	*				17.2	133.5	127.5	-8.8	0	0	0	0	119.9
19	R	28.6	Very low	30.2	Very low	247 Å²	247	155 Å²	155	93%	0.932	72%	0.72	S	S	*	*			trans	179.2	158.5	137.3	-106.3	178.2	177.9	-163.2	-0.7	111.5
20	A	27.7	Very low	30.2	Very low	78 Å²	78	156.8 Å²	156.8	65%	0.645	72%	0.724	S	S	*	*			cis	-156.2	165.5	-8.4	0	0	0	0	0	112.6
21	K	31.1	Very low	30.2	Very low	142 Å²	142	159.5 Å²	159.5	62%	0.617	73%	0.731	S	S	*	*			trans	-14.4	151.4	141.4	-47.9	170.1	173.8	-175.4	0	116.9	S421	K21-S421 VanDerWaalsContact NZ-CB 3.32Å; K21-S421 PolarHBondContact NZ-OG 3.49Å
22	R	33.9	Very low	30	Very low	209 Å²	209	153.4 Å²	153.4	79%	0.789	72%	0.718	S	S	*	*				-165	171.7	119.1	-95	-153.1	155.8	128.2	-4.5	108.8
23	E	32.6	Very low	29.8	Very low	89 Å²	89	151.5 Å²	151.5	42%	0.416	72%	0.718	S	S	.	*			cis	-178	137.4	-32.7	-167.2	175.9	87.1	0	0	103.8
24	R	33.3	Very low	29.7	Very low	148 Å²	148	150.1 Å²	150.1	56%	0.558	71%	0.712	S	S	*	*				-174.7	132.6	66	-162	161.2	-64.4	108.4	5.2	113.5
25	V	32.1	Very low	29.5	Very low	25 Å²	25	147.9 Å²	147.9	15%	0.152	71%	0.706	C	S	.	*			trans	-35.1	142.9	155.4	-150.8	0	0	0	0	114.3	P422 H423	V25-P422 HydrophobicContact CG2-CB 3.56Å; V25-P422 HydrophobicContact CG2-CG 3.62Å; V25-H423 HydrophobicContact CB-CB 4.2Å; V25-H423 HydrophobicContact CG1-CB 3.88Å; V25-H423 HydrophobicContact CG2-CB 3.93Å; V25-H423 WeakPolarHBondContact CG2-O 3.36Å; V25-H423 PolarHBondContact N-O 3.4Å
26	R	30.1	Very low	29.4	Very low	200 Å²	200	148.6 Å²	148.6	76%	0.755	71%	0.705	S	S	*	*				161.5	112.9	125.1	-93.3	175.8	172	113.2	-7.8	113.4	H425	R26-H425 PolarHBondContact N-NE2 3.15Å; R26-H425 VanDerWaalsContact N-NE2 3.2Å
27	R	31.2	Very low	29.3	Very low	240 Å²	240	151.7 Å²	151.7	91%	0.906	72%	0.716	S	S	*	*			trans	-172.3	63.9	130	-73.1	-147.9	-178.9	109.2	2	107.3
28	L	27.4	Very low	29.1	Very low	168 Å²	168	147.4 Å²	147.4	88%	0.88	72%	0.716	S	S	*	*				-0.1	102.6	102.1	-155.3	80.8	0	0	0	116.4
29	R	27.9	Very low	29.3	Very low	238 Å²	238	146.5 Å²	146.5	90%	0.898	71%	0.708	S	S	*	*			trans	-153.6	122.8	140	171.9	168.5	-87.4	175.8	-6.6	106.9
30	E	30.2	Very low	29.1	Very low	158 Å²	158	143.1 Å²	143.1	74%	0.738	70%	0.703	S	S	*	*			trans	-90.4	165.1	163.6	-145.7	-167.2	-110.1	0	0	108.4	G32	E30-G32 PolarHBondContact OE2-N 2.96Å
31	P	29.7	Very low	29.5	Very low	121 Å²	121	143.5 Å²	143.5	79%	0.786	70%	0.699	S	S	*	*				-141	130.1	103	35.6	-22.2	0	0	0	114.8
32	G	26	Very low	29.1	Very low	48 Å²	48	143.5 Å²	143.5	50%	0.495	71%	0.706	S	S	.	*				50.7	97.9	104	0	0	0	0	0	118.5	E30	E30-G32 PolarHBondContact OE2-N 2.96Å
33	S	27.6	Very low	28.7	Very low	115 Å²	115	138.1 Å²	138.1	80%	0.804	70%	0.7	S	S	*	*				22.2	121.7	127.5	-172	0	0	0	0	119.5
34	K	27.6	Very low	28.4	Very low	180 Å²	180	138.8 Å²	138.8	78%	0.783	72%	0.715	S	S	*	*			trans	-180	152.6	130.9	-96.9	164.5	163.3	-78.4	0	109
35	D	24.7	Very low	28.2	Very low	131 Å²	131	133.9 Å²	133.9	70%	0.701	70%	0.703	S	S	*	*			cis	-144.2	173.5	-1.4	-134.7	-40.1	0	0	0	111.1
36	A	26.8	Very low	28.1	Very low	85 Å²	85	136.3 Å²	136.3	70%	0.702	72%	0.721	S	S	*	*			trans	-83.9	152.6	-173	0	0	0	0	0	115
37	R	26.9	Very low	28.2	Very low	251 Å²	251	130.9 Å²	130.9	95%	0.947	71%	0.707	S	S	*	*			trans	-144.4	109.1	149	-79.5	-159	-174.4	-166.2	2	112.9
38	S	25.9	Very low	28.4	Very low	102 Å²	102	127.1 Å²	127.1	71%	0.713	69%	0.693	S	S	*	*				-77.3	178.2	125.3	60.2	0	0	0	0	108.1
39	P	34.8	Very low	28.7	Very low	102 Å²	102	125.4 Å²	125.4	66%	0.662	68%	0.68	S	S	*	*			cis	-139.9	166.2	10.5	44.2	-27.1	0	0	0	117
40	E	23.2	Very low	28.8	Very low	175 Å²	175	116.3 Å²	116.3	82%	0.818	66%	0.661	S	S	*	*			trans	61.5	-176.6	147.5	-64.2	-71.6	109.7	0	0	117.1
41	P	35.6	Very low	28.9	Very low	87 Å²	87	113.7 Å²	113.7	57%	0.565	65%	0.648	S	S	*	*				-134.7	-162.7	-69.2	42.3	-27.7	0	0	0	113.3
42	N	24.7	Very low	29.1	Very low	141 Å²	141	113.2 Å²	113.2	75%	0.754	65%	0.648	S	S	*	*			trans	70.5	118.7	161.1	-65.5	0.5	0	0	0	116.2
43	S	23.9	Very low	29.9	Very low	97 Å²	97	117 Å²	117	68%	0.678	66%	0.664	S	S	*	*				84.4	153.9	56	79.9	0	0	0	0	114
44	S	27.7	Very low	30.1	Very low	103 Å²	103	114.8 Å²	114.8	72%	0.72	66%	0.659	S	S	*	*			trans	75.1	93	-174.3	-58.5	0	0	0	0	114.2
45	C	27.9	Very low	30.5	Very low	44 Å²	44	116.5 Å²	116.5	30%	0.297	66%	0.661	S	S	.	*			cis	54.7	113	38.1	-59.6	0	0	0	0	112.7	S250 D251 V252	C45-S250 CarbonylContact C-O 3.38Å; C45-D251 WeakPolarHBondContact CA-OD2 3.49Å; C45-D251 HydrophobicContact CB-CB 3.65Å; C45-D251 WeakPolarHBondContact CB-OD2 3.15Å; C45-D251 PolarHBondContact SG-OD2 2.77Å; C45-V252 WeakPolarHBondContact CB-O 3.35Å; C45-V252 PolarHBondContact SG-O 3.48Å
46	S	30.2	Very low	30.7	Very low	76 Å²	76	116.5 Å²	116.5	53%	0.531	66%	0.661	S	S	.	*			trans	-166.7	161.5	177.5	-74.7	0	0	0	0	112.1	S250	S46-S250 WeakPolarHBondContact CA-O 3.33Å; S46-S250 PolarHBondContact N-O 2.86Å; S46-S250 VanDerWaalsContact N-O 3.17Å
47	D	32.3	Very low	30.8	Very low	86 Å²	86	116.8 Å²	116.8	46%	0.46	66%	0.663	S	S	.	*			trans	-144.8	158	167.5	-177.1	30.4	0	0	0	108.7	V249	D47-V249 WeakPolarHBondContact O-CA 3.38Å; D47-V249 PolarHBondContact O-N 2.8Å; D47-V249 VanDerWaalsContact O-N 3.15Å
48	R	34.5	Very low	30.7	Very low	162 Å²	162	109.9 Å²	109.9	61%	0.611	66%	0.659	S	S	*	*			trans	54.7	137.9	172	-65.2	148.5	176.3	-123.5	-1.5	119.2
49	E	34	Very low	30.7	Very low	131 Å²	131	110.6 Å²	110.6	61%	0.612	67%	0.665	S	S	*	*				-139.5	160.2	107.6	-54.7	-158.2	39.8	0	0	107.6	D247 K248	E49-D247 HydrophobicContact CB-CB 4.09Å; E49-D247 HydrophobicContact CG-CB 4.13Å; E49-D247 WeakPolarHBondContact CG-O 3.42Å; E49-D247 PolarHBondContact OE1-N 3.44Å; E49-D247 VanDerWaalsContact OE1-O 3.14Å; E49-K248 IonicContact OE1-NZ 3.91Å; E49-K248 PolarHBondContact OE1-NZ 2.86Å; E49-K248 IonicContact OE2-NZ 2.48Å; E49-K248 PolarHBondContact OE2-NZ 3.34Å
50	G	31.5	Very low	31.1	Very low	48 Å²	48	111.4 Å²	111.4	50%	0.495	67%	0.67	S	S	.	*			cis	176.2	151.5	-6.2	0	0	0	0	0	110.4
51	Q	31.2	Very low	31.3	Very low	102 Å²	102	107.8 Å²	107.8	48%	0.477	67%	0.67	S	S	.	*			trans	55.1	134.6	159.9	-100.8	57.6	6	0	0	124.2	I245 D246	Q51-I245 HydrophobicContact CB-CD1 3.85Å; Q51-I245 HydrophobicContact CG-CD1 3.64Å; Q51-D246 VanDerWaalsContact CD-CB 3.48Å; Q51-D246 VanDerWaalsContact NE2-CB 3.25Å; Q51-D246 PolarHBondContact NE2-OD2 3.08Å; Q51-D246 VanDerWaalsContact OE1-CB 3.31Å
52	S	33.1	Very low	30.9	Very low	112 Å²	112	107.6 Å²	107.6	78%	0.783	68%	0.675	S	S	*	*			trans	-83	-147.7	156.9	-45.1	0	0	0	0	108.7
53	P	44.2	Very low	31.4	Very low	128 Å²	128	109.9 Å²	109.9	83%	0.831	68%	0.679	S	S	*	*			cis	-121.5	-169.6	-19.9	30.5	-7.5	0	0	0	111.4
54	G	31.1	Very low	31.8	Very low	68 Å²	68	113.6 Å²	113.6	70%	0.701	68%	0.683	S	S	*	*			cis	155.3	-169.9	-8.5	0	0	0	0	0	112
55	R	36	Very low	32.3	Very low	215 Å²	215	115 Å²	115	81%	0.811	69%	0.687	S	S	*	*			trans	78.5	133.3	165.8	-56.3	-165.2	170.5	-74.1	-3.4	119.8
56	D	28.9	Very low	33.2	Very low	132 Å²	132	117.8 Å²	117.8	71%	0.706	70%	0.704	S	S	*	*			cis	-133.2	-93.8	-19.4	-89.2	-47.4	0	0	0	112
57	A	28.5	Very low	33.5	Very low	90 Å²	90	123 Å²	123	74%	0.744	72%	0.72	S	S	*	*			cis	-165.4	168.2	-10.9	0	0	0	0	0	110.8
58	A	26.3	Very low	34.3	Very low	106 Å²	106	125.1 Å²	125.1	88%	0.876	74%	0.738	S	S	*	*			trans	56	123.2	165.7	0	0	0	0	0	121.9
59	S	24.8	Very low	34.7	Very low	118 Å²	118	122.4 Å²	122.4	83%	0.825	75%	0.751	S	S	*	*			trans	-109	-179.6	171.6	-79.5	0	0	0	0	110.4
60	P	43.4	Very low	34.6	Very low	119 Å²	119	121.4 Å²	121.4	77%	0.773	77%	0.765	S	S	*	*			cis	-151.4	176.4	23.8	44.3	-22.9	0	0	0	121
61	A	28.4	Very low	34.7	Very low	99 Å²	99	124.5 Å²	124.5	82%	0.818	79%	0.786	S	S	*	*			trans	61.4	134.3	149.6	0	0	0	0	0	120.6
62	A	27.4	Very low	35.2	Very low	82 Å²	82	124.5 Å²	124.5	68%	0.678	80%	0.803	S	S	*	*			cis	-173	154.5	35	0	0	0	0	0	114.9
63	K	35.2	Very low	35.1	Very low	190 Å²	190	131.1 Å²	131.1	83%	0.826	81%	0.811	S	S	*	*			trans	46.2	134.5	139.4	-65.3	166.3	-174.5	169.9	0	120.1
64	K	32.2	Very low	34.4	Very low	175 Å²	175	129.4 Å²	129.4	76%	0.761	81%	0.808	S	S	*	*			cis	-172.7	128.1	14.6	-103.6	168.8	175.8	-174	0	114.1
65	T	36.8	Very low	34.9	Very low	133 Å²	133	132 Å²	132	82%	0.816	81%	0.812	S	S	*	*			trans	64.5	175.6	137.1	65.3	0	0	0	0	122.3
66	P	47.4	Very low	34.8	Very low	101 Å²	101	133.4 Å²	133.4	66%	0.656	82%	0.818	S	S	*	*				-145.4	158.9	-90.5	42.9	-21.8	0	0	0	122.1
67	H	36.1	Very low	35.1	Very low	185 Å²	185	132.3 Å²	132.3	86%	0.856	82%	0.818	S	S	*	*			trans	58.9	175.5	150.4	-67.3	-46.1	0	0	0	122
68	P	49.8	Very low	35.5	Very low	131 Å²	131	134.2 Å²	134.2	85%	0.851	82%	0.822	S	S	*	*			cis	-131.1	-154	2	43.6	-23.9	0	0	0	116.7
69	A	42.8	Very low	35.8	Very low	106 Å²	106	139.2 Å²	139.2	88%	0.876	82%	0.818	S	S	*	*			trans	-149.2	175.9	-169.9	0	0	0	0	0	117.2
70	A	32.3	Very low	36.4	Very low	109 Å²	109	142.8 Å²	142.8	90%	0.901	81%	0.814	S	S	*	*			trans	-151.8	177.8	-178	0	0	0	0	0	116.5
71	A	33.3	Very low	36	Very low	114 Å²	114	146.1 Å²	146.1	94%	0.942	82%	0.816	S	S	*	*			trans	-139.6	-167.4	-163.1	0	0	0	0	0	118.4
72	A	40.3	Very low	36.1	Very low	101 Å²	101	150.6 Å²	150.6	84%	0.835	81%	0.812	S	S	*	*			trans	-114.5	178.7	-154.4	0	0	0	0	0	119
73	R	32.1	Very low	36.8	Very low	251 Å²	251	156.9 Å²	156.9	95%	0.947	82%	0.818	S	S	*	*			trans	-162.9	137.8	174	-116.8	-179.5	-173.1	-158.6	1.5	119.5
74	A	29.7	Very low	36.4	Very low	93 Å²	93	154.8 Å²	154.8	77%	0.769	81%	0.811	S	S	*	*			trans	56.6	139.4	139.4	0	0	0	0	0	125.6
75	P	41.4	Very low	36.4	Very low	121 Å²	121	150.7 Å²	150.7	79%	0.786	81%	0.805	S	S	*	*			trans	-111	159.5	171	40.6	-33	0	0	0	116.1
76	R	32.8	Very low	36.2	Very low	246 Å²	246	150 Å²	150	93%	0.928	81%	0.805	S	S	*	*			trans	-147.8	-161.3	166.7	-56	-173.4	161.9	159.3	-7.2	112.1
77	P	35.2	Very low	35.6	Very low	109 Å²	109	150.5 Å²	150.5	71%	0.708	81%	0.811	S	S	*	*				-121	168.6	-124.2	32.9	-10	0	0	0	116.9
78	P	38.3	Very low	35.7	Very low	129 Å²	129	151 Å²	151	84%	0.838	81%	0.814	S	S	*	*			trans	-83.2	140.5	-179.2	32.5	-35	0	0	0	114.6
79	R	31.3	Very low	35.1	Very low	211 Å²	211	153.2 Å²	153.2	80%	0.796	81%	0.813	S	S	*	*			trans	-143.9	120	173.3	-83.9	176.6	65.7	107.2	-13.6	114.5
80	R	37.6	Very low	35.2	Very low	194 Å²	194	157.4 Å²	157.4	73%	0.732	81%	0.814	S	S	*	*			trans	50.4	121.7	142.5	-85.3	173.6	42.1	163.4	-7.1	122.3
81	K	35.4	Very low	36.1	Very low	188 Å²	188	159.5 Å²	159.5	82%	0.817	81%	0.81	S	S	*	*			trans	70.1	164.8	144.8	-60.4	-167.1	176	-167.5	0	115.5
82	R	31.7	Very low	36.9	Very low	193 Å²	193	161.3 Å²	161.3	73%	0.728	80%	0.802	S	S	*	*			cis	-143.3	159.9	15.4	-164.2	177	78.6	-143.3	6.3	113.3	E84	R82-E84 IonicContact CZ-OE1 3.67Å; R82-E84 IonicContact CZ-OE2 3.85Å; R82-E84 IonicContact NE-OE1 3.64Å; R82-E84 PolarHBondContact NE-OE1 2.71Å; R82-E84 IonicContact NH2-OE1 2.64Å; R82-E84 PolarHBondContact NH2-OE1 2.71Å; R82-E84 IonicContact NH2-OE2 3.27Å; R82-E84 PolarHBondContact NH2-OE2 3.31Å
83	R	42	Very low	37.2	Very low	214 Å²	214	164.4 Å²	164.4	81%	0.808	80%	0.803	S	S	*	*			trans	-64.6	144.8	167.2	173.3	-160.9	-163.2	-149.2	11.5	112.8
84	E	26.9	Very low	37.7	Very low	147 Å²	147	159 Å²	159	69%	0.687	79%	0.794	S	S	*	*			trans	-163.4	-179.7	149	-112.8	123.7	-107.2	0	0	110.8	R82	R82-E84 IonicContact CZ-OE1 3.67Å; R82-E84 IonicContact CZ-OE2 3.85Å; R82-E84 IonicContact NE-OE1 3.64Å; R82-E84 PolarHBondContact NE-OE1 2.71Å; R82-E84 IonicContact NH2-OE1 2.64Å; R82-E84 PolarHBondContact NH2-OE1 2.71Å; R82-E84 IonicContact NH2-OE2 3.27Å; R82-E84 PolarHBondContact NH2-OE2 3.31Å
85	S	31.3	Very low	38.3	Very low	89 Å²	89	158.5 Å²	158.5	62%	0.622	80%	0.797	S	S	*	*			trans	-142.1	157.2	-139.5	-47.1	0	0	0	0	117.4
86	S	31.5	Very low	38	Very low	117 Å²	117	161.8 Å²	161.8	82%	0.818	80%	0.799	S	S	*	*			trans	44.5	118.9	140.6	62.1	0	0	0	0	123
87	S	34.8	Very low	38.6	Very low	113 Å²	113	153.9 Å²	153.9	79%	0.79	79%	0.787	S	S	*	*			trans	-144.2	139	141.6	51.3	0	0	0	0	106.2
88	Q	38.4	Very low	38.5	Very low	195 Å²	195	154.8 Å²	154.8	91%	0.911	78%	0.784	S	S	*	*			cis	81.3	79.4	29.4	-163	174.4	3.3	0	0	114.9
89	E	37.3	Very low	38.6	Very low	178 Å²	178	152.6 Å²	152.6	83%	0.832	78%	0.777	S	S	*	*			trans	-149.9	166.8	150.1	58.4	-159.9	148.6	0	0	108.9
90	E	46.3	Very low	39.1	Very low	193 Å²	193	145.8 Å²	145.8	90%	0.902	76%	0.762	S	S	*	*			trans	60.4	59.8	-180	-55	-161.6	141.3	0	0	117.1
91	D	50.4	Low	39.3	Very low	153 Å²	153	143.4 Å²	143.4	82%	0.818	76%	0.757	S	S	*	*			trans	-71	174.1	143.2	-157.1	-21.8	0	0	0	109.8
92	I	50	Low	39.5	Very low	152 Å²	152	140 Å²	140	78%	0.779	75%	0.747	S	S	*	*			trans	74.8	70.7	176.3	-37.7	164.7	0	0	0	115.9
93	I	46.8	Very low	40.2	Very low	166 Å²	166	134.7 Å²	134.7	85%	0.851	74%	0.739	S	S	*	*	S	Bend		-154.2	96	112.9	-50.8	-171.8	0	0	0	109.3
94	D	41.9	Very low	40.4	Very low	139 Å²	139	131 Å²	131	74%	0.743	74%	0.735	S	S	*	*				-164	66.2	123.1	-144.5	-7.1	0	0	0	111.3	F96	D94-F96 PolarHBondContact O-N 3.26Å
95	G	42.3	Very low	41.3	Very low	82 Å²	82	129.6 Å²	129.6	85%	0.845	73%	0.728	S	S	*	*			trans	-77	51.2	-177	0	0	0	0	0	114.7
96	F	35.8	Very low	42	Very low	189 Å²	189	134.5 Å²	134.5	83%	0.829	73%	0.733	S	S	*	*			trans	-110.7	103.3	174.4	-93.4	-79.2	0	0	0	112.4	D94	D94-F96 PolarHBondContact O-N 3.26Å
97	A	45.4	Very low	42.7	Very low	81 Å²	81	134.6 Å²	134.6	67%	0.669	72%	0.724	S	S	*	*			trans	-72.2	132.9	-178.5	0	0	0	0	0	112.8	F623	A97-F623 WeakPolarHBondContact O-CE1 3.17Å
98	I	32.5	Very low	43.7	Very low	127 Å²	127	135.6 Å²	135.6	65%	0.651	72%	0.716	S	S	*	*			trans	-114.4	82.5	161.2	-57.5	-168.9	0	0	0	109	S100 F623	I98-S100 PolarHBondContact O-N 2.88Å; I98-F623 HydrophobicContact CB-CD1 4.05Å; I98-F623 HydrophobicContact CB-CE1 3.94Å; I98-F623 HydrophobicContact CB-CZ 4.48Å; I98-F623 HydrophobicContact CD1-CD1 4.07Å; I98-F623 HydrophobicContact CG1-CD1 3.72Å; I98-F623 HydrophobicContact CG1-CE1 3.72Å; I98-F623 HydrophobicContact CG2-CB 4.49Å; I98-F623 HydrophobicContact CG2-CD1 3.64Å; I98-F623 HydrophobicContact CG2-CD2 4.25Å; I98-F623 HydrophobicContact CG2-CE1 3.92Å; I98-F623 HydrophobicContact CG2-CE2 4.47Å; I98-F623 HydrophobicContact CG2-CG 3.83Å; I98-F623 HydrophobicContact CG2-CZ 4.32Å
99	A	41.7	Very low	44.4	Very low	84 Å²	84	133.4 Å²	133.4	69%	0.694	70%	0.703	S	S	*	*			trans	-97.9	69.1	174.1	0	0	0	0	0	110.8
100	S	41.3	Very low	44.8	Very low	68 Å²	68	133.2 Å²	133.2	48%	0.476	70%	0.7	S	S	.	*			trans	-168.1	121.9	161.9	-82.7	0	0	0	0	111.2	I98	I98-S100 PolarHBondContact O-N 2.88Å
101	F	42.3	Very low	45	Very low	144 Å²	144	127.1 Å²	127.1	63%	0.632	68%	0.676	S	S	*	*				174.3	121.7	120.5	-91.6	-59.6	0	0	0	111.7	D621 F623	F101-D621 WeakPolarHBondContact CZ-OD2 3.39Å; F101-F623 HydrophobicContact CE2-CB 4.23Å
102	I	39.7	Very low	45	Very low	115 Å²	115	121.7 Å²	121.7	59%	0.59	66%	0.656	S	S	*	*			trans	27.8	127.3	140.7	-55.8	170	0	0	0	118.4	R106	I102-R106 HydrophobicContact CG2-CB 4.28Å
103	S	45.1	Very low	44.8	Very low	83 Å²	83	119.2 Å²	119.2	58%	0.58	65%	0.648	S	S	*	*			trans	-33.6	133.1	175.2	-178.8	0	0	0	0	116.3	E105 R106	S103-E105 PolarHBondContact O-N 3.34Å; S103-R106 PolarHBondContact O-N 3.37Å; S103-R106 VanDerWaalsContact O-N 3.09Å
104	L	47.5	Very low	44.9	Very low	137 Å²	137	116.9 Å²	116.9	72%	0.717	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-42.3	-37.7	175	-174.5	65	0	0	0	113.8	R106 L107	L104-R106 PolarHBondContact O-N 3.46Å; L104-R106 VanDerWaalsContact O-N 3.14Å; L104-L107 PolarHBondContact O-N 2.75Å
105	E	44.5	Very low	45.5	Very low	116 Å²	116	117.4 Å²	117.4	54%	0.542	63%	0.631	S	S	.	*	H	α-helix	trans	-59.9	-24.8	-176.3	-152.6	-156.3	145.7	0	0	114.1	S103 K109	S103-E105 PolarHBondContact O-N 3.34Å; E105-K109 IonicContact OE1-NZ 3.77Å; E105-K109 PolarHBondContact OE1-NZ 2.8Å
106	R	46.8	Very low	45.9	Very low	193 Å²	193	118 Å²	118	73%	0.728	61%	0.61	S	S	*	*	H	α-helix	trans	-80.3	-18.4	176.6	-97.8	-178.7	177.9	158.1	2.8	113.9	I102 S103 L104	I102-R106 HydrophobicContact CG2-CB 4.28Å; S103-R106 PolarHBondContact O-N 3.37Å; S103-R106 VanDerWaalsContact O-N 3.09Å; L104-R106 PolarHBondContact O-N 3.46Å; L104-R106 VanDerWaalsContact O-N 3.14Å
107	L	45.2	Very low	46.8	Very low	118 Å²	118	114.9 Å²	114.9	62%	0.618	60%	0.598	S	S	*	*	H	α-helix	trans	-87.1	-34.9	-176.3	-168.7	62.1	0	0	0	112.5	L104 T111	L104-L107 PolarHBondContact O-N 2.75Å; L107-T111 WeakPolarHBondContact O-CG2 3.47Å; L107-T111 PolarHBondContact O-N 2.77Å; L107-T111 PolarHBondContact O-OG1 3.02Å
108	E	56.9	Low	47.2	Very low	135 Å²	135	114.2 Å²	114.2	63%	0.631	59%	0.586	S	S	*	*	H	α-helix	trans	-64.8	-47.2	176.7	-66.6	-163.3	114	0	0	112.1	K110 T111 G112	E108-K110 PolarHBondContact O-N 2.87Å; E108-T111 PolarHBondContact O-N 3.04Å; E108-T111 PolarHBondContact O-OG1 3.22Å; E108-G112 PolarHBondContact O-N 3.09Å
109	K	52.3	Low	48.7	Very low	148 Å²	148	114.8 Å²	114.8	64%	0.643	58%	0.584	S	S	*	*	H	α-helix	trans	-57.4	-24	-178.3	-79.3	167.6	177.5	160	0	113.9	E105	E105-K109 IonicContact OE1-NZ 3.77Å; E105-K109 PolarHBondContact OE1-NZ 2.8Å
110	K	46.6	Very low	49.7	Very low	175 Å²	175	115.1 Å²	115.1	76%	0.761	57%	0.571	S	S	*	*	H	α-helix	trans	-99.9	-18.3	176.6	-154.6	165.2	-173.1	173.3	0	114.5	E108	E108-K110 PolarHBondContact O-N 2.87Å
111	T	50.5	Low	50.2	Low	64 Å²	64	117.5 Å²	117.5	39%	0.393	57%	0.569	S	S	.	*	H	α-helix	trans	-94.9	-21.6	177.9	53.2	0	0	0	0	113.6	L107 E108 K115	L107-T111 WeakPolarHBondContact O-CG2 3.47Å; L107-T111 PolarHBondContact O-N 2.77Å; L107-T111 PolarHBondContact O-OG1 3.02Å; E108-T111 PolarHBondContact O-N 3.04Å; E108-T111 PolarHBondContact O-OG1 3.22Å; T111-K115 WeakPolarHBondContact O-CG 3.09Å; T111-K115 PolarHBondContact O-N 3.14Å
112	G	49.8	Very low	50.8	Low	40 Å²	40	117.8 Å²	117.8	41%	0.412	57%	0.566	S	S	.	*	H	α-helix	trans	-64.9	-35.5	176.3	0	0	0	0	0	114.4	E108 K116	E108-G112 PolarHBondContact O-N 3.09Å; G112-K116 PolarHBondContact O-N 2.65Å
113	V	46.5	Very low	52	Low	99 Å²	99	117.3 Å²	117.3	60%	0.6	56%	0.56	S	S	*	*	H	α-helix	trans	-68.9	-55.5	-176.9	-178	0	0	0	0	111.5	K115 K116 E117	V113-K115 PolarHBondContact O-N 3.33Å; V113-K116 WeakPolarHBondContact O-CB 3.41Å; V113-K116 PolarHBondContact O-N 3.02Å; V113-E117 PolarHBondContact O-N 3.33Å; V113-E117 VanDerWaalsContact O-N 3.1Å
114	M	47.9	Very low	52.9	Low	117 Å²	117	119.2 Å²	119.2	58%	0.576	56%	0.56	S	S	*	*	H	α-helix	trans	-62.2	-27.1	179	-67.2	-152	79.5	0	0	113.3	T118	M114-T118 WeakPolarHBondContact O-CB 3.01Å; M114-T118 PolarHBondContact O-N 2.94Å; M114-T118 PolarHBondContact O-OG1 3.28Å
115	K	54.6	Low	53.9	Low	150 Å²	150	117.9 Å²	117.9	65%	0.652	55%	0.548	S	S	*	.	H	α-helix	trans	-72.5	-22.3	173.2	-81.1	-178.7	176	176	0	113.8	T111 V113 K119	T111-K115 WeakPolarHBondContact O-CG 3.09Å; T111-K115 PolarHBondContact O-N 3.14Å; V113-K115 PolarHBondContact O-N 3.33Å; K115-K119 VanDerWaalsContact O-CB 3.26Å; K115-K119 WeakPolarHBondContact O-CB 3.13Å
116	K	51.9	Low	54.9	Low	94 Å²	94	119.4 Å²	119.4	41%	0.409	55%	0.553	S	S	.	*	H	α-helix	trans	-77.4	-56.1	167.1	-86.3	-174.8	166.5	-172.8	0	110.2	G112 V113 T118 K119 E120 A318 A319	G112-K116 PolarHBondContact O-N 2.65Å; V113-K116 WeakPolarHBondContact O-CB 3.41Å; V113-K116 PolarHBondContact O-N 3.02Å; K116-T118 PolarHBondContact O-N 3.1Å; K116-K119 CarbonylContact O-C 3.28Å; K116-K119 WeakPolarHBondContact O-CA 3.48Å; K116-K119 WeakPolarHBondContact O-CB 3.18Å; K116-K119 PolarHBondContact O-N 2.91Å; K116-E120 PolarHBondContact O-N 2.91Å; K116-A318 PolarHBondContact NZ-O 3Å; K116-A319 PolarHBondContact NZ-O 3.14Å
117	E	52.9	Low	55.6	Low	124 Å²	124	114.1 Å²	114.1	58%	0.579	54%	0.542	S	S	*	.	H	α-helix	trans	-51	-52.8	-177.4	-175	-176.8	-165	0	0	112.8	V113 K119 E120 W121	V113-E117 PolarHBondContact O-N 3.33Å; V113-E117 VanDerWaalsContact O-N 3.1Å; E117-K119 VanDerWaalsContact C-N 3.28Å; E117-K119 PolarHBondContact O-N 3.18Å; E117-E120 PolarHBondContact O-N 3.43Å; E117-W121 PolarHBondContact O-N 2.93Å
118	T	55.3	Low	56.4	Low	68 Å²	68	112.6 Å²	112.6	42%	0.417	54%	0.538	S	S	.	.	H	α-helix	trans	-64.3	-30.4	176.7	50.8	0	0	0	0	113.4	M114 K116 W122	M114-T118 WeakPolarHBondContact O-CB 3.01Å; M114-T118 PolarHBondContact O-N 2.94Å; M114-T118 PolarHBondContact O-OG1 3.28Å; K116-T118 PolarHBondContact O-N 3.1Å; T118-W122 WeakPolarHBondContact O-CB 3.09Å; T118-W122 PolarHBondContact O-N 2.88Å
119	K	63.4	Low	56.9	Low	139 Å²	139	113.1 Å²	113.1	60%	0.604	54%	0.538	S	S	*	.	H	α-helix	trans	-74.5	-33.5	177.9	-171.8	177.7	-178.3	-176.8	0	112.1	K115 K116 E117 K123	K115-K119 VanDerWaalsContact O-CB 3.26Å; K115-K119 WeakPolarHBondContact O-CB 3.13Å; K116-K119 CarbonylContact O-C 3.28Å; K116-K119 WeakPolarHBondContact O-CA 3.48Å; K116-K119 WeakPolarHBondContact O-CB 3.18Å; K116-K119 PolarHBondContact O-N 2.91Å; E117-K119 VanDerWaalsContact C-N 3.28Å; E117-K119 PolarHBondContact O-N 3.18Å; K119-K123 WeakPolarHBondContact O-CG 3.5Å; K119-K123 PolarHBondContact O-N 2.9Å; K119-K123 VanDerWaalsContact O-N 3.16Å
120	E	63.5	Low	56.9	Low	91 Å²	91	115.3 Å²	115.3	43%	0.425	54%	0.542	S	S	.	.	H	α-helix	trans	-71.3	-43	170.8	-57.4	-47.5	119.2	0	0	111	K116 E117 W122 K123 E124	K116-E120 PolarHBondContact O-N 2.91Å; E117-E120 PolarHBondContact O-N 3.43Å; E120-W122 VanDerWaalsContact C-N 3.3Å; E120-W122 PolarHBondContact O-N 3.23Å; E120-K123 CarbonylContact O-C 3.38Å; E120-K123 WeakPolarHBondContact O-CA 3.36Å; E120-K123 WeakPolarHBondContact O-CB 3.47Å; E120-K123 PolarHBondContact O-N 3.25Å; E120-K123 IonicContact OE1-NZ 2.71Å; E120-K123 PolarHBondContact OE1-NZ 3.5Å; E120-K123 WeakPolarHBondContact OE2-CD 3.23Å; E120-K123 WeakPolarHBondContact OE2-CE 2.94Å; E120-K123 IonicContact OE2-NZ 2.94Å; E120-K123 PolarHBondContact OE2-NZ 3.04Å; E120-E124 WeakPolarHBondContact O-CB 3.12Å; E120-E124 PolarHBondContact O-N 2.94Å
121	W	50.9	Low	57.2	Low	117 Å²	117	112.9 Å²	112.9	44%	0.443	53%	0.534	S	S	.	.	H	α-helix	trans	-57.3	-39.7	172.2	-175.9	77.3	0	0	0	113	E117 K123 K125	E117-W121 PolarHBondContact O-N 2.93Å; W121-K123 VanDerWaalsContact C-N 3.32Å; W121-K123 PolarHBondContact O-N 3.3Å; W121-K125 HydrophobicContact CH2-CD 4Å; W121-K125 HydrophobicContact CZ2-CD 3.94Å; W121-K125 HydrophobicContact CZ3-CD 4.37Å; W121-K125 WeakPolarHBondContact O-CB 3.4Å; W121-K125 PolarHBondContact O-N 3.41Å
122	W	55.7	Low	57.5	Low	150 Å²	150	116.2 Å²	116.2	57%	0.568	54%	0.543	S	S	*	.	H	α-helix	trans	-73.5	-16.8	174.1	-77.3	122	0	0	0	114.4	T118 E120 K126	T118-W122 WeakPolarHBondContact O-CB 3.09Å; T118-W122 PolarHBondContact O-N 2.88Å; E120-W122 VanDerWaalsContact C-N 3.3Å; E120-W122 PolarHBondContact O-N 3.23Å; W122-K126 WeakPolarHBondContact O-CD 3.48Å; W122-K126 VanDerWaalsContact O-CG 3.3Å; W122-K126 WeakPolarHBondContact O-CG 3.29Å
123	K	63.9	Low	57.6	Low	106 Å²	106	118.7 Å²	118.7	46%	0.461	54%	0.543	S	S	.	.	H	α-helix	trans	-80.4	-52	167.3	-76.9	158.9	154.3	-179.7	0	110.2	K119 E120 W121 K125 K126 T127	K119-K123 WeakPolarHBondContact O-CG 3.5Å; K119-K123 PolarHBondContact O-N 2.9Å; K119-K123 VanDerWaalsContact O-N 3.16Å; E120-K123 CarbonylContact O-C 3.38Å; E120-K123 WeakPolarHBondContact O-CA 3.36Å; E120-K123 WeakPolarHBondContact O-CB 3.47Å; E120-K123 PolarHBondContact O-N 3.25Å; E120-K123 IonicContact OE1-NZ 2.71Å; E120-K123 PolarHBondContact OE1-NZ 3.5Å; E120-K123 WeakPolarHBondContact OE2-CD 3.23Å; E120-K123 WeakPolarHBondContact OE2-CE 2.94Å; E120-K123 IonicContact OE2-NZ 2.94Å; E120-K123 PolarHBondContact OE2-NZ 3.04Å; W121-K123 VanDerWaalsContact C-N 3.32Å; W121-K123 PolarHBondContact O-N 3.3Å; K123-K125 VanDerWaalsContact C-N 3.35Å; K123-K125 PolarHBondContact O-N 3Å; K123-K126 CarbonylContact O-C 3.57Å; K123-K126 VanDerWaalsContact O-CA 3.31Å; K123-K126 WeakPolarHBondContact O-CA 3.46Å; K123-K126 VanDerWaalsContact O-CB 3.31Å; K123-K126 WeakPolarHBondContact O-CB 3.43Å; K123-K126 PolarHBondContact O-N 3.29Å; K123-T127 PolarHBondContact O-N 2.83Å; K123-T127 PolarHBondContact O-OG1 3.05Å
124	E	63.3	Low	58	Low	122 Å²	122	119 Å²	119	57%	0.57	54%	0.538	S	S	*	.	H	α-helix	trans	-55.3	-49.1	-180	-176	177.2	-141.8	0	0	110.9	E120 K126 T127 T128	E120-E124 WeakPolarHBondContact O-CB 3.12Å; E120-E124 PolarHBondContact O-N 2.94Å; E124-K126 PolarHBondContact O-N 2.95Å; E124-K126 VanDerWaalsContact O-N 3.08Å; E124-T127 WeakPolarHBondContact CA-OG1 3.45Å; E124-T127 PolarHBondContact O-N 2.93Å; E124-T127 PolarHBondContact O-OG1 3.27Å; E124-T128 PolarHBondContact O-N 3.31Å; E124-T128 PolarHBondContact O-OG1 3.42Å; E124-T128 VanDerWaalsContact O-OG1 3.06Å
125	K	68.7	Low	58.2	Low	110 Å²	110	117.6 Å²	117.6	48%	0.478	53%	0.533	S	S	.	.	H	α-helix	trans	-63.8	-17.3	174.9	-164.9	166.4	-171.8	168	0	114.2	W121 K123 K129	W121-K125 HydrophobicContact CH2-CD 4Å; W121-K125 HydrophobicContact CZ2-CD 3.94Å; W121-K125 HydrophobicContact CZ3-CD 4.37Å; W121-K125 WeakPolarHBondContact O-CB 3.4Å; W121-K125 PolarHBondContact O-N 3.41Å; K123-K125 VanDerWaalsContact C-N 3.35Å; K123-K125 PolarHBondContact O-N 3Å; K125-K129 WeakPolarHBondContact O-CB 3.42Å; K125-K129 PolarHBondContact O-N 3.27Å
126	K	65.2	Low	58	Low	147 Å²	147	115.7 Å²	115.7	64%	0.639	53%	0.527	S	S	*	.	H	α-helix	trans	-91.1	-33.7	171.1	-78.5	-179.4	177.4	-175.3	0	112.8	W122 K123 E124 R130	W122-K126 WeakPolarHBondContact O-CD 3.48Å; W122-K126 VanDerWaalsContact O-CG 3.3Å; W122-K126 WeakPolarHBondContact O-CG 3.29Å; K123-K126 CarbonylContact O-C 3.57Å; K123-K126 VanDerWaalsContact O-CA 3.31Å; K123-K126 WeakPolarHBondContact O-CA 3.46Å; K123-K126 VanDerWaalsContact O-CB 3.31Å; K123-K126 WeakPolarHBondContact O-CB 3.43Å; K123-K126 PolarHBondContact O-N 3.29Å; E124-K126 PolarHBondContact O-N 2.95Å; E124-K126 VanDerWaalsContact O-N 3.08Å; K126-R130 WeakPolarHBondContact O-CB 3.14Å; K126-R130 PolarHBondContact O-N 2.79Å
127	T	61.8	Low	58	Low	83 Å²	83	115.1 Å²	115.1	51%	0.509	53%	0.528	S	S	.	.	H	α-helix	trans	-70.6	-46.2	173	49.8	0	0	0	0	110.3	K123 E124 K129 R130 Q131	K123-T127 PolarHBondContact O-N 2.83Å; K123-T127 PolarHBondContact O-OG1 3.05Å; E124-T127 WeakPolarHBondContact CA-OG1 3.45Å; E124-T127 PolarHBondContact O-N 2.93Å; E124-T127 PolarHBondContact O-OG1 3.27Å; T127-K129 VanDerWaalsContact C-N 3.32Å; T127-K129 PolarHBondContact O-N 2.96Å; T127-R130 CarbonylContact O-C 3.58Å; T127-R130 PolarHBondContact O-N 2.73Å; T127-R130 VanDerWaalsContact O-N 3.12Å; T127-Q131 VanDerWaalsContact O-CB 3.32Å; T127-Q131 WeakPolarHBondContact O-CB 3.35Å; T127-Q131 PolarHBondContact O-N 2.75Å
128	T	63.5	Low	57.7	Low	85 Å²	85	113.6 Å²	113.6	52%	0.521	52%	0.519	S	S	.	.	H	α-helix	trans	-60.7	-38.7	173.6	-47.8	0	0	0	0	112.2	E124 K132	E124-T128 PolarHBondContact O-N 3.31Å; E124-T128 PolarHBondContact O-OG1 3.42Å; E124-T128 VanDerWaalsContact O-OG1 3.06Å; T128-K132 WeakPolarHBondContact O-CB 3.44Å; T128-K132 PolarHBondContact O-N 2.72Å
129	K	65.6	Low	57.3	Low	147 Å²	147	118.1 Å²	118.1	64%	0.639	54%	0.536	S	S	*	.	H	α-helix	trans	-69	-39.6	174.1	-178.5	168.6	179.8	178	0	112.1	K125 T127 Q133	K125-K129 WeakPolarHBondContact O-CB 3.42Å; K125-K129 PolarHBondContact O-N 3.27Å; T127-K129 VanDerWaalsContact C-N 3.32Å; T127-K129 PolarHBondContact O-N 2.96Å; K129-Q133 WeakPolarHBondContact O-CB 3.46Å; K129-Q133 PolarHBondContact O-N 3.35Å
130	R	53.8	Low	56.6	Low	193 Å²	193	119 Å²	119	73%	0.728	54%	0.542	S	S	*	.	H	α-helix	trans	-64.4	-46.6	174.8	-89.8	-170.9	160.3	-148	-9	111.5	K126 T127 Q133 E134	K126-R130 WeakPolarHBondContact O-CB 3.14Å; K126-R130 PolarHBondContact O-N 2.79Å; T127-R130 CarbonylContact O-C 3.58Å; T127-R130 PolarHBondContact O-N 2.73Å; T127-R130 VanDerWaalsContact O-N 3.12Å; R130-Q133 CarbonylContact O-C 3.56Å; R130-Q133 WeakPolarHBondContact O-CA 3.35Å; R130-Q133 WeakPolarHBondContact O-CB 3.33Å; R130-Q133 PolarHBondContact O-N 3.06Å; R130-Q133 VanDerWaalsContact O-N 3.07Å; R130-E134 VanDerWaalsContact O-CB 3.27Å; R130-E134 WeakPolarHBondContact O-CB 3.48Å; R130-E134 PolarHBondContact O-N 3Å
131	Q	52.5	Low	56	Low	124 Å²	124	121.7 Å²	121.7	58%	0.579	56%	0.555	S	S	*	*	H	α-helix	trans	-63.2	-45.9	-179.1	-167	169.4	8.5	0	0	111.2	T127 Q133 E134 D135	T127-Q131 VanDerWaalsContact O-CB 3.32Å; T127-Q131 WeakPolarHBondContact O-CB 3.35Å; T127-Q131 PolarHBondContact O-N 2.75Å; Q131-Q133 VanDerWaalsContact C-N 3.29Å; Q131-Q133 PolarHBondContact O-N 3.49Å; Q131-E134 CarbonylContact O-C 3.59Å; Q131-E134 PolarHBondContact O-N 2.75Å; Q131-E134 VanDerWaalsContact O-N 3.08Å; Q131-D135 VanDerWaalsContact O-CG 3.3Å; Q131-D135 PolarHBondContact O-N 3.12Å
132	K	57	Low	55.7	Low	135 Å²	135	124.6 Å²	124.6	59%	0.587	57%	0.573	S	S	*	*	H	α-helix	trans	-57.3	-43.2	170.5	173	166.3	176.7	167	0	112	T128 E134 D135 E136	T128-K132 WeakPolarHBondContact O-CB 3.44Å; T128-K132 PolarHBondContact O-N 2.72Å; K132-E134 VanDerWaalsContact C-N 3.31Å; K132-D135 PolarHBondContact O-N 2.93Å; K132-E136 WeakPolarHBondContact O-CB 3.47Å; K132-E136 PolarHBondContact O-N 2.8Å
133	Q	52.6	Low	55.1	Low	91 Å²	91	126.1 Å²	126.1	43%	0.425	59%	0.587	S	S	.	*	H	α-helix	trans	-67.4	-33.5	177.6	-173.1	177.7	-15.6	0	0	111.6	K129 R130 Q131 D135 E136 D137	K129-Q133 WeakPolarHBondContact O-CB 3.46Å; K129-Q133 PolarHBondContact O-N 3.35Å; R130-Q133 CarbonylContact O-C 3.56Å; R130-Q133 WeakPolarHBondContact O-CA 3.35Å; R130-Q133 WeakPolarHBondContact O-CB 3.33Å; R130-Q133 PolarHBondContact O-N 3.06Å; R130-Q133 VanDerWaalsContact O-N 3.07Å; Q131-Q133 VanDerWaalsContact C-N 3.29Å; Q131-Q133 PolarHBondContact O-N 3.49Å; Q133-D135 VanDerWaalsContact C-N 3.31Å; Q133-E136 PolarHBondContact O-N 3.08Å; Q133-D137 WeakPolarHBondContact O-CB 3.43Å; Q133-D137 PolarHBondContact O-N 2.87Å
134	E	54.1	Low	54.2	Low	106 Å²	106	128 Å²	128	50%	0.495	60%	0.602	S	S	.	*	H	α-helix	trans	-78.7	-14.3	179.1	-153.3	-164.1	115.3	0	0	112.6	R130 Q131 K132 K138	R130-E134 VanDerWaalsContact O-CB 3.27Å; R130-E134 WeakPolarHBondContact O-CB 3.48Å; R130-E134 PolarHBondContact O-N 3Å; Q131-E134 CarbonylContact O-C 3.59Å; Q131-E134 PolarHBondContact O-N 2.75Å; Q131-E134 VanDerWaalsContact O-N 3.08Å; K132-E134 VanDerWaalsContact C-N 3.31Å; E134-K138 VanDerWaalsContact CG-NZ 3.35Å; E134-K138 WeakPolarHBondContact O-CB 3.49Å; E134-K138 WeakPolarHBondContact O-CD 3.5Å; E134-K138 WeakPolarHBondContact O-CE 3.32Å; E134-K138 WeakPolarHBondContact O-CG 3.26Å; E134-K138 PolarHBondContact O-NZ 3.16Å; E134-K138 IonicContact OE1-NZ 2.66Å; E134-K138 PolarHBondContact OE1-NZ 2.82Å
135	D	51.1	Low	53	Low	87 Å²	87	127.4 Å²	127.4	47%	0.465	61%	0.606	S	S	.	*	H	α-helix	trans	-86.4	-40.7	166.7	-62.7	-33.3	0	0	0	109.9	Q131 K132 Q133 K138 E139	Q131-D135 VanDerWaalsContact O-CG 3.3Å; Q131-D135 PolarHBondContact O-N 3.12Å; K132-D135 PolarHBondContact O-N 2.93Å; Q133-D135 VanDerWaalsContact C-N 3.31Å; D135-K138 PolarHBondContact O-N 3.4Å; D135-E139 PolarHBondContact O-N 3.07Å
136	E	52.2	Low	51.2	Low	111 Å²	111	130.6 Å²	130.6	52%	0.519	62%	0.623	S	S	.	*	H	α-helix	trans	-65.4	-42.1	175.5	-160.7	161.1	-145	0	0	111.5	K132 Q133 K138 E140	K132-E136 WeakPolarHBondContact O-CB 3.47Å; K132-E136 PolarHBondContact O-N 2.8Å; Q133-E136 PolarHBondContact O-N 3.08Å; E136-K138 VanDerWaalsContact C-N 3.32Å; E136-K138 PolarHBondContact O-N 3.48Å; E136-E140 PolarHBondContact O-N 3.18Å
137	D	50.7	Low	50.1	Low	81 Å²	81	129.2 Å²	129.2	43%	0.433	63%	0.629	S	S	.	*	H	α-helix	trans	-68.8	-26.5	173.8	-65.5	-19.3	0	0	0	111.6	Q133 E141	Q133-D137 WeakPolarHBondContact O-CB 3.43Å; Q133-D137 PolarHBondContact O-N 2.87Å; D137-E141 WeakPolarHBondContact O-CB 3.37Å; D137-E141 PolarHBondContact O-N 2.72Å
138	K	46.8	Very low	49.1	Very low	92 Å²	92	130 Å²	130	40%	0.4	64%	0.644	S	S	.	*	H	α-helix	trans	-80.6	-33.3	176.7	-82.3	-178.9	-156.9	101.6	0	113.2	E134 D135 E136 E140 E141 E142	E134-K138 VanDerWaalsContact CG-NZ 3.35Å; E134-K138 WeakPolarHBondContact O-CB 3.49Å; E134-K138 WeakPolarHBondContact O-CD 3.5Å; E134-K138 WeakPolarHBondContact O-CE 3.32Å; E134-K138 WeakPolarHBondContact O-CG 3.26Å; E134-K138 PolarHBondContact O-NZ 3.16Å; E134-K138 IonicContact OE1-NZ 2.66Å; E134-K138 PolarHBondContact OE1-NZ 2.82Å; D135-K138 PolarHBondContact O-N 3.4Å; E136-K138 VanDerWaalsContact C-N 3.32Å; E136-K138 PolarHBondContact O-N 3.48Å; K138-E140 VanDerWaalsContact C-N 3.26Å; K138-E141 PolarHBondContact O-N 2.94Å; K138-E142 PolarHBondContact O-N 3.15Å
139	E	47.6	Very low	47.7	Very low	164 Å²	164	132.9 Å²	132.9	77%	0.766	66%	0.661	S	S	*	*	H	α-helix	trans	-64.3	-32.1	169.1	-72.3	-173.3	149.1	0	0	111.1	D135	D135-E139 PolarHBondContact O-N 3.07Å
140	E	48.7	Very low	46.1	Very low	156 Å²	156	133.3 Å²	133.3	73%	0.729	67%	0.67	S	S	*	*	H	α-helix	trans	-77.5	-30.3	170.9	-71.4	-162.8	161.6	0	0	114.2	E136 K138	E136-E140 PolarHBondContact O-N 3.18Å; K138-E140 VanDerWaalsContact C-N 3.26Å
141	E	51.4	Low	45.7	Very low	149 Å²	149	130.3 Å²	130.3	70%	0.696	68%	0.676	S	S	*	*	H	α-helix	trans	-75.5	-31.9	-178.1	-168.9	168	-150.6	0	0	113.4	D137 K138	D137-E141 WeakPolarHBondContact O-CB 3.37Å; D137-E141 PolarHBondContact O-N 2.72Å; K138-E141 PolarHBondContact O-N 2.94Å
142	E	43.8	Very low	45.5	Very low	177 Å²	177	132.1 Å²	132.1	83%	0.827	69%	0.689	S	S	*	*	H	α-helix	trans	-78.7	-18.1	-178.7	-157.4	170	-138.6	0	0	113.9	K138	K138-E142 PolarHBondContact O-N 3.15Å
143	E	43.2	Very low	44.9	Very low	183 Å²	183	134.1 Å²	134.1	86%	0.855	70%	0.7	S	S	*	*	H	α-helix	trans	-76.9	-25.3	177.3	-167.6	174.7	167.9	0	0	113.2
144	N	44.3	Very low	44.7	Very low	145 Å²	145	136 Å²	136	78%	0.775	71%	0.713	S	S	*	*			trans	-110.5	58.5	-164.5	-170.8	25.6	0	0	0	114.8
145	V	39.4	Very low	44.4	Very low	109 Å²	109	134 Å²	134	66%	0.661	72%	0.721	S	S	*	*			trans	-116.5	105.6	-179.1	-179.3	0	0	0	0	113.1
146	Q	30	Very low	44.1	Very low	177 Å²	177	138.5 Å²	138.5	83%	0.827	74%	0.737	S	S	*	*			trans	75	156.6	166.2	-66.2	-164.8	2.9	0	0	120.3
147	P	42.7	Very low	43.7	Very low	119 Å²	119	139.4 Å²	139.4	77%	0.773	74%	0.744	S	S	*	*			cis	-120	172.6	-14.1	26.5	-5.8	0	0	0	113.8
148	A	40.3	Very low	43.5	Very low	100 Å²	100	141.8 Å²	141.8	83%	0.826	75%	0.752	S	S	*	*			trans	-93.7	146.3	-170.1	0	0	0	0	0	115.8
149	V	34.2	Very low	43.5	Very low	144 Å²	144	142.5 Å²	142.5	87%	0.873	76%	0.757	S	S	*	*			trans	-145.2	155.8	158.6	-79.2	0	0	0	0	109.8
150	D	32	Very low	43.3	Very low	156 Å²	156	137.1 Å²	137.1	83%	0.834	74%	0.74	S	S	*	*			trans	-64.5	134.9	-163.7	-81	-60.4	0	0	0	117
151	P	46	Very low	43.1	Very low	130 Å²	130	136.1 Å²	136.1	84%	0.844	74%	0.736	S	S	*	*			trans	-99.6	52.3	171.4	38.8	-34.8	0	0	0	113.6
152	L	47.2	Very low	43.2	Very low	163 Å²	163	136.5 Å²	136.5	85%	0.853	73%	0.731	S	S	*	*			trans	-112.6	58.7	-178.8	-161.9	86.3	0	0	0	114.7
153	E	45.5	Very low	43.7	Very low	176 Å²	176	132.4 Å²	132.4	82%	0.822	71%	0.712	S	S	*	*	S	Bend	trans	-150.1	-47.9	163.4	-148.2	169	167.1	0	0	115.4	G155	E153-G155 VanDerWaalsContact C-N 3.34Å; E153-G155 PolarHBondContact O-N 3.03Å; E153-G155 VanDerWaalsContact O-N 3.09Å
154	N	46.9	Very low	44	Very low	132 Å²	132	129.9 Å²	129.9	71%	0.706	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	16.1	-161.9	-78.9	-24.7	0	0	0	118
155	G	48.4	Very low	44.6	Very low	63 Å²	63	129.7 Å²	129.7	65%	0.649	69%	0.694	S	S	*	*	H	α-helix	trans	-69.6	-32.6	-176.4	0	0	0	0	0	115.5	E153	E153-G155 VanDerWaalsContact C-N 3.34Å; E153-G155 PolarHBondContact O-N 3.03Å; E153-G155 VanDerWaalsContact O-N 3.09Å
156	F	43.9	Very low	45.7	Very low	182 Å²	182	128.7 Å²	128.7	80%	0.798	68%	0.679	S	S	*	*	H	α-helix	trans	-80.6	-42.2	-162.5	-149.8	-104.4	0	0	0	114.2	H158 H159 A160	F156-H158 PolarHBondContact O-N 3.01Å; F156-H159 PolarHBondContact O-N 3.37Å; F156-A160 PolarHBondContact O-N 3.08Å
157	L	45.2	Very low	46.8	Very low	130 Å²	130	125.9 Å²	125.9	68%	0.681	67%	0.667	S	S	*	*	H	α-helix	trans	-62.9	-40.9	-177.7	-80.6	163	0	0	0	112.6	H159 A160 Q161	L157-H159 VanDerWaalsContact C-N 3.31Å; L157-H159 PolarHBondContact O-N 3.39Å; L157-A160 PolarHBondContact O-N 2.7Å; L157-Q161 WeakPolarHBondContact O-CB 3.31Å; L157-Q161 PolarHBondContact O-N 3.23Å
158	H	45.4	Very low	47.3	Very low	130 Å²	130	124.4 Å²	124.4	60%	0.602	65%	0.653	S	S	*	*	H	α-helix	trans	-67.9	-26.6	-179.6	-88.5	-69	0	0	0	114	F156 R162	F156-H158 PolarHBondContact O-N 3.01Å; H158-R162 VanDerWaalsContact O-CB 3.31Å; H158-R162 WeakPolarHBondContact O-CB 3.31Å; H158-R162 PolarHBondContact O-N 3.02Å
159	H	46.4	Very low	48.1	Very low	108 Å²	108	124.2 Å²	124.2	50%	0.5	64%	0.635	S	S	.	*	H	α-helix	trans	-74.6	-51.3	174.4	-167.6	-90.3	0	0	0	111.2	F156 L157 Q161 R162 E163	F156-H159 PolarHBondContact O-N 3.37Å; L157-H159 VanDerWaalsContact C-N 3.31Å; L157-H159 PolarHBondContact O-N 3.39Å; H159-Q161 VanDerWaalsContact C-N 3.34Å; H159-Q161 PolarHBondContact O-N 3.34Å; H159-R162 PolarHBondContact O-N 2.87Å; H159-R162 VanDerWaalsContact O-N 3.14Å; H159-E163 IonicContact CE1-OE2 2.75Å; H159-E163 PolarHBondContact CE1-OE2 2.9Å; H159-E163 IonicContact ND1-OE2 3.41Å; H159-E163 PolarHBondContact O-N 3.46Å
160	A	44.4	Very low	49.3	Very low	50 Å²	50	125.2 Å²	125.2	41%	0.413	62%	0.623	S	S	.	*	H	α-helix	trans	-58.5	-43.8	-180	0	0	0	0	0	112.1	F156 L157 R162 E163 Q164	F156-A160 PolarHBondContact O-N 3.08Å; L157-A160 PolarHBondContact O-N 2.7Å; A160-R162 PolarHBondContact O-N 2.86Å; A160-E163 WeakPolarHBondContact O-CB 3.36Å; A160-E163 PolarHBondContact O-N 3.27Å; A160-Q164 WeakPolarHBondContact O-CB 3.33Å; A160-Q164 PolarHBondContact O-N 3.38Å
161	Q	44.8	Very low	50.2	Low	136 Å²	136	122.9 Å²	122.9	64%	0.636	61%	0.61	S	S	*	*	H	α-helix	trans	-63.4	-39.4	177.1	-172.5	170.6	-11.7	0	0	112.2	L157 H159 E163 Q164 E165	L157-Q161 WeakPolarHBondContact O-CB 3.31Å; L157-Q161 PolarHBondContact O-N 3.23Å; H159-Q161 VanDerWaalsContact C-N 3.34Å; H159-Q161 PolarHBondContact O-N 3.34Å; Q161-E163 VanDerWaalsContact C-N 3.35Å; Q161-Q164 PolarHBondContact O-N 2.85Å; Q161-E165 WeakPolarHBondContact O-CB 3.19Å; Q161-E165 PolarHBondContact O-N 3.07Å
162	R	53.6	Low	50.4	Low	157 Å²	157	121.3 Å²	121.3	59%	0.592	59%	0.594	S	S	*	*	H	α-helix	trans	-70.1	-28.7	176	-168.6	-175.7	-63.1	-175.9	0.4	112.7	H158 H159 A160 R166	H158-R162 VanDerWaalsContact O-CB 3.31Å; H158-R162 WeakPolarHBondContact O-CB 3.31Å; H158-R162 PolarHBondContact O-N 3.02Å; H159-R162 PolarHBondContact O-N 2.87Å; H159-R162 VanDerWaalsContact O-N 3.14Å; A160-R162 PolarHBondContact O-N 2.86Å; R162-R166 WeakPolarHBondContact O-CB 3.44Å; R162-R166 VanDerWaalsContact O-CG 3.3Å; R162-R166 WeakPolarHBondContact O-CG 3.3Å; R162-R166 PolarHBondContact O-N 3.43Å; R162-R166 PolarHBondContact O-NE 3.4Å
163	E	53.6	Low	50.8	Low	90 Å²	90	119.9 Å²	119.9	42%	0.421	58%	0.58	S	S	.	*	H	α-helix	trans	-72.4	-46.7	172.3	-161.5	100.9	-110.6	0	0	111.2	H159 A160 Q161 E165 R166 M167	H159-E163 IonicContact CE1-OE2 2.75Å; H159-E163 PolarHBondContact CE1-OE2 2.9Å; H159-E163 IonicContact ND1-OE2 3.41Å; H159-E163 PolarHBondContact O-N 3.46Å; A160-E163 WeakPolarHBondContact O-CB 3.36Å; A160-E163 PolarHBondContact O-N 3.27Å; Q161-E163 VanDerWaalsContact C-N 3.35Å; E163-E165 VanDerWaalsContact C-N 3.34Å; E163-E165 PolarHBondContact O-N 3.1Å; E163-R166 PolarHBondContact O-N 3.25Å; E163-R166 IonicContact OE1-CZ 2.81Å; E163-R166 IonicContact OE1-NH1 3.18Å; E163-R166 PolarHBondContact OE1-NH1 3.34Å; E163-R166 IonicContact OE1-NH2 3.8Å; E163-R166 PolarHBondContact OE1-NH2 3.47Å; E163-R166 IonicContact OE2-NH2 2.76Å; E163-R166 PolarHBondContact OE2-NH2 3.33Å; E163-M167 WeakPolarHBondContact O-CB 3.45Å; E163-M167 PolarHBondContact O-N 3.4Å
164	Q	49.3	Very low	50.8	Low	131 Å²	131	120.1 Å²	120.1	61%	0.612	58%	0.579	S	S	*	*	H	α-helix	trans	-66.2	-35.5	177.9	-173.7	160.6	-27.7	0	0	112	A160 Q161 M167 N168	A160-Q164 WeakPolarHBondContact O-CB 3.33Å; A160-Q164 PolarHBondContact O-N 3.38Å; Q161-Q164 PolarHBondContact O-N 2.85Å; Q164-M167 HydrophobicContact CG-CE 4.36Å; Q164-M167 PolarHBondContact O-N 3.43Å; Q164-N168 VanDerWaalsContact O-CB 3.26Å; Q164-N168 WeakPolarHBondContact O-CB 3.48Å; Q164-N168 PolarHBondContact O-N 2.95Å
165	E	57	Low	50.9	Low	141 Å²	141	118.6 Å²	118.6	66%	0.659	57%	0.574	S	S	*	*	H	α-helix	trans	-65.8	-44.5	171.8	-170.6	171.7	-142.2	0	0	111.6	Q161 E163 M167 N168 E169	Q161-E165 WeakPolarHBondContact O-CB 3.19Å; Q161-E165 PolarHBondContact O-N 3.07Å; E163-E165 VanDerWaalsContact C-N 3.34Å; E163-E165 PolarHBondContact O-N 3.1Å; E165-M167 VanDerWaalsContact C-N 3.3Å; E165-M167 PolarHBondContact O-N 3.31Å; E165-N168 PolarHBondContact O-N 2.82Å; E165-E169 VanDerWaalsContact O-CB 3.31Å; E165-E169 WeakPolarHBondContact O-CB 3.09Å; E165-E169 PolarHBondContact O-N 2.97Å
166	R	62.5	Low	50.3	Low	87 Å²	87	122 Å²	122	33%	0.328	57%	0.569	S	S	.	*	H	α-helix	trans	-60	-37.9	172.2	-78	179.3	-71.5	125.8	-8.9	112.6	R162 E163 R170	R162-R166 WeakPolarHBondContact O-CB 3.44Å; R162-R166 VanDerWaalsContact O-CG 3.3Å; R162-R166 WeakPolarHBondContact O-CG 3.3Å; R162-R166 PolarHBondContact O-N 3.43Å; R162-R166 PolarHBondContact O-NE 3.4Å; E163-R166 PolarHBondContact O-N 3.25Å; E163-R166 IonicContact OE1-CZ 2.81Å; E163-R166 IonicContact OE1-NH1 3.18Å; E163-R166 PolarHBondContact OE1-NH1 3.34Å; E163-R166 IonicContact OE1-NH2 3.8Å; E163-R166 PolarHBondContact OE1-NH2 3.47Å; E163-R166 IonicContact OE2-NH2 2.76Å; E163-R166 PolarHBondContact OE2-NH2 3.33Å; R166-R170 WeakPolarHBondContact O-CB 3.42Å; R166-R170 WeakPolarHBondContact O-CD 3.33Å; R166-R170 WeakPolarHBondContact O-CG 3.46Å; R166-R170 PolarHBondContact O-N 3.21Å
167	M	53.3	Low	50	Low	119 Å²	119	118.9 Å²	118.9	59%	0.586	57%	0.569	S	S	*	*	H	α-helix	trans	-68.9	-44.9	175.4	176.5	166.5	55.2	0	0	111.9	E163 Q164 E165 R170 L171	E163-M167 WeakPolarHBondContact O-CB 3.45Å; E163-M167 PolarHBondContact O-N 3.4Å; Q164-M167 HydrophobicContact CG-CE 4.36Å; Q164-M167 PolarHBondContact O-N 3.43Å; E165-M167 VanDerWaalsContact C-N 3.3Å; E165-M167 PolarHBondContact O-N 3.31Å; M167-R170 WeakPolarHBondContact O-CB 3.27Å; M167-R170 PolarHBondContact O-N 2.89Å; M167-L171 PolarHBondContact O-N 3.02Å
168	N	53.3	Low	49.8	Very low	88 Å²	88	122 Å²	122	47%	0.471	58%	0.577	S	S	.	*	H	α-helix	trans	-63	-43.6	177.4	-164.8	-79.5	0	0	0	110.9	Q164 E165 R170 L171 L172	Q164-N168 VanDerWaalsContact O-CB 3.26Å; Q164-N168 WeakPolarHBondContact O-CB 3.48Å; Q164-N168 PolarHBondContact O-N 2.95Å; E165-N168 PolarHBondContact O-N 2.82Å; N168-R170 VanDerWaalsContact C-N 3.35Å; N168-R170 PolarHBondContact O-N 3.41Å; N168-L171 CarbonylContact O-C 3.31Å; N168-L171 WeakPolarHBondContact O-CA 3.34Å; N168-L171 WeakPolarHBondContact O-CB 3.33Å; N168-L171 PolarHBondContact O-N 2.74Å; N168-L172 WeakPolarHBondContact O-CD1 3.2Å; N168-L172 PolarHBondContact O-N 3.18Å; N168-L172 WeakPolarHBondContact OD1-CD1 3.07Å
169	E	57.2	Low	49.4	Very low	95 Å²	95	119.5 Å²	119.5	44%	0.444	57%	0.565	S	S	.	*	H	α-helix	trans	-62.4	-39.8	175.5	-158.9	-143.4	-168.5	0	0	111.8	E165 L171 L172 K173	E165-E169 VanDerWaalsContact O-CB 3.31Å; E165-E169 WeakPolarHBondContact O-CB 3.09Å; E165-E169 PolarHBondContact O-N 2.97Å; E169-L171 VanDerWaalsContact C-N 3.3Å; E169-L171 PolarHBondContact O-N 3.05Å; E169-L172 PolarHBondContact O-N 2.86Å; E169-K173 HydrophobicContact CG-CD 4.37Å; E169-K173 VanDerWaalsContact O-CB 3.3Å; E169-K173 WeakPolarHBondContact O-CB 3.11Å; E169-K173 WeakPolarHBondContact O-CG 3.13Å; E169-K173 PolarHBondContact O-N 2.89Å; E169-K173 WeakPolarHBondContact OE1-CE 3.31Å; E169-K173 IonicContact OE1-NZ 3.46Å; E169-K173 PolarHBondContact OE1-NZ 3.31Å; E169-K173 WeakPolarHBondContact OE2-CE 3.23Å; E169-K173 IonicContact OE2-NZ 3.77Å; E169-K173 PolarHBondContact OE2-NZ 2.88Å
170	R	59.6	Low	48.7	Very low	165 Å²	165	119.2 Å²	119.2	62%	0.623	57%	0.567	S	S	*	*	H	α-helix	trans	-63.5	-32.9	171.3	-75.3	167.2	175.3	-173.8	-2.4	112.6	R166 M167 N168 K174	R166-R170 WeakPolarHBondContact O-CB 3.42Å; R166-R170 WeakPolarHBondContact O-CD 3.33Å; R166-R170 WeakPolarHBondContact O-CG 3.46Å; R166-R170 PolarHBondContact O-N 3.21Å; M167-R170 WeakPolarHBondContact O-CB 3.27Å; M167-R170 PolarHBondContact O-N 2.89Å; N168-R170 VanDerWaalsContact C-N 3.35Å; N168-R170 PolarHBondContact O-N 3.41Å; R170-K174 WeakPolarHBondContact O-CG 3.08Å; R170-K174 PolarHBondContact O-N 3.28Å
171	L	50.3	Low	48.4	Very low	108 Å²	108	121.4 Å²	121.4	57%	0.565	57%	0.567	S	S	*	*	H	α-helix	trans	-76.2	-39.5	177.7	-147.9	72	0	0	0	112.2	M167 N168 E169 K174 T175	M167-L171 PolarHBondContact O-N 3.02Å; N168-L171 CarbonylContact O-C 3.31Å; N168-L171 WeakPolarHBondContact O-CA 3.34Å; N168-L171 WeakPolarHBondContact O-CB 3.33Å; N168-L171 PolarHBondContact O-N 2.74Å; E169-L171 VanDerWaalsContact C-N 3.3Å; E169-L171 PolarHBondContact O-N 3.05Å; L171-K174 PolarHBondContact O-N 3.47Å; L171-T175 WeakPolarHBondContact O-CG2 3.44Å; L171-T175 PolarHBondContact O-N 3Å; L171-T175 PolarHBondContact O-OG1 3.46Å
172	L	50.9	Low	47.8	Very low	97 Å²	97	119.3 Å²	119.3	51%	0.508	56%	0.564	S	S	.	*	H	α-helix	trans	-65.4	-42.4	171.6	-94.1	60.8	0	0	0	111.3	N168 E169 K174 T175 Y176	N168-L172 WeakPolarHBondContact O-CD1 3.2Å; N168-L172 PolarHBondContact O-N 3.18Å; N168-L172 WeakPolarHBondContact OD1-CD1 3.07Å; E169-L172 PolarHBondContact O-N 2.86Å; L172-K174 PolarHBondContact O-N 3.13Å; L172-T175 WeakPolarHBondContact CA-OG1 3.23Å; L172-T175 PolarHBondContact O-N 3.49Å; L172-T175 VanDerWaalsContact O-N 3.13Å; L172-T175 PolarHBondContact O-OG1 3.3Å; L172-Y176 PolarHBondContact O-N 3.17Å
173	K	54.8	Low	46.7	Very low	132 Å²	132	119.2 Å²	119.2	57%	0.574	57%	0.574	S	S	*	*	H	α-helix	trans	-59.2	-32.7	173.5	-76.8	168.7	177.5	173.2	0	112.5	E169	E169-K173 HydrophobicContact CG-CD 4.37Å; E169-K173 VanDerWaalsContact O-CB 3.3Å; E169-K173 WeakPolarHBondContact O-CB 3.11Å; E169-K173 WeakPolarHBondContact O-CG 3.13Å; E169-K173 PolarHBondContact O-N 2.89Å; E169-K173 WeakPolarHBondContact OE1-CE 3.31Å; E169-K173 IonicContact OE1-NZ 3.46Å; E169-K173 PolarHBondContact OE1-NZ 3.31Å; E169-K173 WeakPolarHBondContact OE2-CE 3.23Å; E169-K173 IonicContact OE2-NZ 3.77Å; E169-K173 PolarHBondContact OE2-NZ 2.88Å
174	K	46.9	Very low	45.7	Very low	181 Å²	181	124 Å²	124	79%	0.787	59%	0.593	S	S	*	*	H	α-helix	trans	-80.4	-17.7	175.8	-77.2	-179.6	175.3	-175.6	0	115	R170 L171 L172	R170-K174 WeakPolarHBondContact O-CG 3.08Å; R170-K174 PolarHBondContact O-N 3.28Å; L171-K174 PolarHBondContact O-N 3.47Å; L172-K174 PolarHBondContact O-N 3.13Å
175	T	47.6	Very low	44.7	Very low	100 Å²	100	123.5 Å²	123.5	61%	0.613	60%	0.601	S	S	*	*	H	α-helix	trans	-106.1	-2.3	-174.2	46.6	0	0	0	0	114.7	L171 L172	L171-T175 WeakPolarHBondContact O-CG2 3.44Å; L171-T175 PolarHBondContact O-N 3Å; L171-T175 PolarHBondContact O-OG1 3.46Å; L172-T175 WeakPolarHBondContact CA-OG1 3.23Å; L172-T175 PolarHBondContact O-N 3.49Å; L172-T175 VanDerWaalsContact O-N 3.13Å; L172-T175 PolarHBondContact O-OG1 3.3Å
176	Y	36.2	Very low	43.4	Very low	136 Å²	136	124.6 Å²	124.6	53%	0.533	61%	0.611	S	S	.	*			trans	-109.3	22.2	-170.4	-136.1	-100.3	0	0	0	115.9	L172 L418	L172-Y176 PolarHBondContact O-N 3.17Å; Y176-L418 HydrophobicContact CD1-CD1 4.01Å; Y176-L418 HydrophobicContact CD2-CD1 3.62Å; Y176-L418 HydrophobicContact CD2-CD2 4.47Å; Y176-L418 HydrophobicContact CD2-CG 3.91Å; Y176-L418 HydrophobicContact CE1-CD1 4.07Å; Y176-L418 HydrophobicContact CE1-CD2 3.81Å; Y176-L418 HydrophobicContact CE1-CG 4.25Å; Y176-L418 HydrophobicContact CE2-CD1 3.69Å; Y176-L418 HydrophobicContact CE2-CD2 3.7Å; Y176-L418 HydrophobicContact CE2-CG 3.45Å; Y176-L418 VanDerWaalsContact CE2-CG 3.45Å; Y176-L418 HydrophobicContact CG-CD1 3.8Å; Y176-L418 HydrophobicContact CG-CG 4.49Å; Y176-L418 VanDerWaalsContact OH-CD2 3.22Å; Y176-L418 WeakPolarHBondContact OH-CD2 3.28Å
177	S	37.5	Very low	41.8	Very low	115 Å²	115	125 Å²	125	80%	0.804	63%	0.632	S	S	*	*	S	Bend	trans	-115	41.7	179.7	-163.1	0	0	0	0	115.3
178	K	42	Very low	40.6	Very low	195 Å²	195	125.1 Å²	125.1	85%	0.848	64%	0.642	S	S	*	*			trans	-151.7	114.7	158	-123.1	172	-175.9	175.3	0	110.3
179	K	37.3	Very low	39.3	Very low	79 Å²	79	132.5 Å²	132.5	34%	0.343	66%	0.663	S	S	.	*			trans	-154.7	104.8	171.3	65.2	-171.1	-158.8	163.2	0	114.8	L418 P419 P420	K179-L418 HydrophobicContact CB-CD1 4.28Å; K179-L418 HydrophobicContact CB-CD2 4.48Å; K179-L418 HydrophobicContact CD-CD1 3.92Å; K179-L418 HydrophobicContact CD-CD2 3.39Å; K179-L418 HydrophobicContact CD-CG 4.27Å; K179-P419 HydrophobicContact CB-CB 4.32Å; K179-P419 WeakPolarHBondContact CD-O 3.47Å; K179-P419 PolarHBondContact NZ-O 3.47Å; K179-P420 HydrophobicContact CB-CB 4.03Å
180	N	30.6	Very low	38.3	Very low	102 Å²	102	133.1 Å²	133.1	55%	0.545	68%	0.676	S	S	.	*	B	Isolated β-bridge	trans	-120.4	153.6	172.8	-128.2	-14.8	0	0	0	111.3	P420	N180-P420 WeakPolarHBondContact O-CB 3.39Å; N180-P420 VanDerWaalsContact O-CG 3.3Å; N180-P420 WeakPolarHBondContact O-CG 3.28Å
181	K	37.6	Very low	36.7	Very low	95 Å²	95	132.1 Å²	132.1	41%	0.413	69%	0.687	S	S	.	*			trans	-18.9	126.6	-172.9	-54.3	158.5	-162.1	155.1	0	115.3	P420 P422 H423	K181-P420 VanDerWaalsContact CA-CG 3.46Å; K181-P422 HydrophobicContact CD-CB 4.26Å; K181-P422 VanDerWaalsContact CE-CB 3.43Å; K181-P422 HydrophobicContact CG-CB 3.95Å; K181-P422 HydrophobicContact CG-CG 4.3Å; K181-H423 VanDerWaalsContact CE-CD2 3.48Å; K181-H423 WeakPolarHBondContact CE-CD2 3.48Å; K181-H423 PolarHBondContact NZ-CD2 3.1Å; K181-H423 PolarHBondContact NZ-NE2 3.3Å
182	T	33.6	Very low	35.8	Very low	93 Å²	93	135.6 Å²	135.6	57%	0.571	70%	0.698	S	S	*	*				-141.4	149.4	81.7	31.8	0	0	0	0	112	P420	T182-P420 VanDerWaalsContact N-CG 3.3Å; T182-P420 WeakPolarHBondContact O-CD 3.04Å; T182-P420 WeakPolarHBondContact O-CG 3.19Å
183	I	30.5	Very low	34.8	Very low	155 Å²	155	138.1 Å²	138.1	80%	0.795	71%	0.711	S	S	*	*				72.6	133.5	66.7	-57.7	176.8	0	0	0	113.2
184	K	31.6	Very low	33.4	Very low	189 Å²	189	140.7 Å²	140.7	82%	0.822	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-73.2	150	-171.1	-53.4	175.7	-179.6	178.9	0	113.3
185	P	29.1	Very low	32.5	Very low	121 Å²	121	137.3 Å²	137.3	79%	0.786	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-98.3	169.5	134.6	35	-30.9	0	0	0	111.6
186	L	29.1	Very low	31.6	Very low	165 Å²	165	139.2 Å²	139.2	86%	0.864	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-80.5	170.8	176	-89.7	62	0	0	0	111.8
187	A	28.2	Very low	31.3	Very low	95 Å²	95	140.1 Å²	140.1	79%	0.785	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-79.1	148.4	179.1	0	0	0	0	0	112.7
188	P	28.5	Very low	30.9	Very low	121 Å²	121	138.9 Å²	138.9	79%	0.786	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-91.1	141.9	149.7	34	-28.5	0	0	0	110.7
189	R	26.6	Very low	30.4	Very low	244 Å²	244	137.6 Å²	137.6	92%	0.921	70%	0.702	S	S	*	*			trans	-118.2	158.8	151.3	-105.1	-155.7	165.3	-171.2	-3.5	108.8
190	P	36.5	Very low	29.9	Very low	108 Å²	108	141 Å²	141	70%	0.701	72%	0.719	S	S	*	*			trans	-98.5	161.4	-138.6	36.8	-38.5	0	0	0	114.5
191	V	25.3	Very low	29.6	Very low	143 Å²	143	143 Å²	143	87%	0.867	73%	0.726	S	S	*	*			trans	-115	143.1	155	178.2	0	0	0	0	107.6
192	K	31.1	Very low	29.2	Very low	181 Å²	181	147.4 Å²	147.4	79%	0.787	75%	0.745	S	S	*	*			trans	-107.1	137.8	177.6	-51.5	174.7	-179.3	-177.7	0	109.9
193	L	30.1	Very low	28.8	Very low	150 Å²	150	148.6 Å²	148.6	79%	0.785	76%	0.757	S	S	*	*			trans	-161	129.7	142.8	-102.8	122.9	0	0	0	105.6
194	R	26.1	Very low	28.8	Very low	187 Å²	187	152.9 Å²	152.9	71%	0.706	76%	0.763	S	S	*	*			cis	100.1	130.7	28.8	-178.7	-170.1	-174.1	-123.5	5.9	110.8
195	E	27.4	Very low	29.1	Very low	110 Å²	110	149.7 Å²	149.7	51%	0.514	76%	0.762	S	S	.	*			trans	71.3	131.1	174	-73.5	145.6	170	0	0	115.9
196	D	28.9	Very low	29	Very low	139 Å²	139	152.4 Å²	152.4	74%	0.743	76%	0.764	S	S	*	*			cis	84.3	143.5	40.8	-59.7	-39.5	0	0	0	111.6
197	E	30.4	Very low	28.8	Very low	155 Å²	155	156.1 Å²	156.1	72%	0.724	77%	0.766	S	S	*	*			cis	-159.1	158.9	4	-132.4	-164.9	137.8	0	0	112.7
198	T	29.4	Very low	28.8	Very low	90 Å²	90	156.6 Å²	156.6	55%	0.552	76%	0.764	S	S	*	*			trans	65.9	161.7	146.5	56.3	0	0	0	0	125.4
199	F	30.3	Very low	28.7	Very low	168 Å²	168	157.6 Å²	157.6	74%	0.737	76%	0.763	S	S	*	*			trans	72.6	128.9	166.8	-54.3	-66.4	0	0	0	118.2
200	Q	26.3	Very low	28.8	Very low	151 Å²	151	150.4 Å²	150.4	71%	0.706	75%	0.75	S	S	*	*				63.8	135.2	64.7	-96.4	176.9	-57.1	0	0	112.9
201	E	25.2	Very low	28.6	Very low	144 Å²	144	153.5 Å²	153.5	67%	0.673	75%	0.752	S	S	*	*			cis	-150.4	-179.3	4.2	-170.7	156.5	142.5	0	0	111.6
202	F	29.7	Very low	29	Very low	186 Å²	186	153.8 Å²	153.8	82%	0.816	74%	0.744	S	S	*	*			trans	-19.3	123.8	173.7	-84.8	-98.6	0	0	0	118.1
203	S	24.4	Very low	29.1	Very low	118 Å²	118	152.6 Å²	152.6	83%	0.825	74%	0.741	S	S	*	*			trans	-171.8	143.6	130.1	-88.6	0	0	0	0	114.6
204	R	31	Very low	29.4	Very low	245 Å²	245	151.3 Å²	151.3	93%	0.925	73%	0.734	S	S	*	*			trans	-112	137.7	148.6	-68.9	-176.2	178.7	-168.4	0.7	104.8
205	P	36.7	Very low	29.7	Very low	123 Å²	123	147 Å²	147	80%	0.799	73%	0.733	S	S	*	*				-151	166.3	71.6	39.9	-20.8	0	0	0	118.3
206	H	27.8	Very low	29.7	Very low	178 Å²	178	148.3 Å²	148.3	82%	0.824	74%	0.739	S	S	*	*			trans	-20.6	118.7	156.1	-173	36	0	0	0	118.5
207	R	25.9	Very low	29.8	Very low	242 Å²	242	145 Å²	145	91%	0.913	73%	0.727	S	S	*	*			trans	-160.5	178.8	138.3	-116	178.2	-173.7	-161.5	1	111.9
208	S	27.4	Very low	30	Very low	106 Å²	106	140.1 Å²	140.1	74%	0.741	71%	0.71	S	S	*	*			trans	-134	176.7	-160	54.4	0	0	0	0	114
209	N	25.8	Very low	30.2	Very low	142 Å²	142	137.8 Å²	137.8	76%	0.759	70%	0.7	S	S	*	*			trans	82.8	122.3	154.8	-160.5	29.8	0	0	0	119.2
210	S	29.3	Very low	30.3	Very low	92 Å²	92	134.6 Å²	134.6	64%	0.643	69%	0.687	S	S	*	*				167.3	158.6	104.1	54.5	0	0	0	0	115.2
211	K	31.7	Very low	30.5	Very low	173 Å²	173	131.8 Å²	131.8	75%	0.752	68%	0.684	S	S	*	*			trans	66.3	113.6	170.8	-67.3	177	178.2	177.6	0	116.2
212	E	34	Very low	31	Very low	150 Å²	150	132.2 Å²	132.2	70%	0.701	69%	0.69	S	S	*	*			cis	71.1	133.6	32.2	-44.2	165.1	111.4	0	0	115.4
213	Q	33.1	Very low	31.1	Very low	156 Å²	156	128.9 Å²	128.9	73%	0.729	69%	0.69	S	S	*	*				160.1	138.2	122.1	-78.5	-90.3	-42.7	0	0	109.9
214	L	36.8	Very low	31.4	Very low	122 Å²	122	126.3 Å²	126.3	64%	0.639	68%	0.682	S	S	*	*			cis	-166.2	165.9	-27.1	-124	-163.8	0	0	0	110.3
215	S	31.8	Very low	31.4	Very low	97 Å²	97	126.3 Å²	126.3	68%	0.678	68%	0.682	S	S	*	*			trans	63.6	147.9	152.3	-62.9	0	0	0	0	120.9
216	E	28.5	Very low	31	Very low	137 Å²	137	123.6 Å²	123.6	64%	0.64	68%	0.676	S	S	*	*			cis	-157.1	-145.9	-26.2	-147.8	-153.4	104.6	0	0	106.3	R876	E216-R876 IonicContact OE1-CZ 3.52Å; E216-R876 IonicContact OE1-NH1 2.72Å; E216-R876 PolarHBondContact OE1-NH1 2.92Å; E216-R876 IonicContact OE1-NH2 2.95Å; E216-R876 PolarHBondContact OE1-NH2 3.36Å
217	S	31	Very low	31	Very low	70 Å²	70	125.2 Å²	125.2	49%	0.49	68%	0.677	S	S	.	*			cis	-157.9	163.3	2.5	-158.4	0	0	0	0	113.5	R876	S217-R876 PolarHBondContact OG-NH2 2.82Å
218	S	34.2	Very low	31.1	Very low	53 Å²	53	118.4 Å²	118.4	37%	0.371	67%	0.666	S	S	.	*			trans	49.5	114.1	157.1	-128.6	0	0	0	0	121.3	H220 R876	S218-H220 PolarHBondContact OG-CE1 3.37Å; S218-H220 PolarHBondContact OG-NE2 2.9Å; S218-R876 PolarHBondContact OG-NE 2.91Å; S218-R876 PolarHBondContact OG-NH2 2.88Å
219	A	32.5	Very low	31.1	Very low	40 Å²	40	120.1 Å²	120.1	33%	0.331	67%	0.671	S	S	.	*			trans	-144.2	161.6	169.2	0	0	0	0	0	111	G875 R876	A219-G875 CarbonylContact O-C 3.57Å; A219-G875 VanDerWaalsContact O-C 3.25Å; A219-G875 VanDerWaalsContact O-O 3.07Å; A219-R876 VanDerWaalsContact O-CA 3.23Å; A219-R876 WeakPolarHBondContact O-CA 3.24Å; A219-R876 WeakPolarHBondContact O-CG 3.48Å; A219-R876 PolarHBondContact O-N 3.48Å
220	H	33.9	Very low	31.3	Very low	102 Å²	102	121.6 Å²	121.6	47%	0.472	67%	0.674	S	S	.	*			trans	-148.1	114.1	-151.9	-62.9	-51	0	0	0	115.9	S218 S874 G875	S218-H220 PolarHBondContact OG-CE1 3.37Å; S218-H220 PolarHBondContact OG-NE2 2.9Å; H220-S874 CarbonylContact C-O 3.5Å; H220-S874 VanDerWaalsContact CB-C 3.48Å; H220-S874 WeakPolarHBondContact ND1-CA 3.16Å; H220-G875 CarbonylContact C-O 3.48Å; H220-G875 WeakPolarHBondContact CA-O 3.21Å; H220-G875 PolarHBondContact ND1-N 3.24Å; H220-G875 VanDerWaalsContact ND1-N 3.15Å
221	S	29.4	Very low	31.9	Very low	92 Å²	92	122.4 Å²	122.4	64%	0.643	68%	0.677	S	S	*	*			trans	-170	158.5	169	-161	0	0	0	0	116.1	S874 G875	S221-S874 PolarHBondContact N-O 3.41Å; S221-G875 PolarHBondContact N-O 3.38Å
222	L	35.5	Very low	31.7	Very low	152 Å²	152	118.8 Å²	118.8	80%	0.796	68%	0.679	S	S	*	*			trans	-158.8	173.8	173	-68.9	-178.6	0	0	0	108.8
223	S	32.5	Very low	31.5	Very low	117 Å²	117	116 Å²	116	82%	0.818	68%	0.681	S	S	*	*			cis	-165.2	-179	-5.3	-121.5	0	0	0	0	107.8
224	G	29.6	Very low	31.4	Very low	63 Å²	63	115.2 Å²	115.2	65%	0.649	69%	0.687	S	S	*	*			cis	157.2	125.2	-7.9	0	0	0	0	0	114.4
225	R	31.1	Very low	31.3	Very low	245 Å²	245	113.3 Å²	113.3	93%	0.925	69%	0.689	S	S	*	*			trans	72.2	153.6	179.5	-57.4	-178.8	172.2	-150.1	-2.2	117.6
226	G	29.8	Very low	31.4	Very low	66 Å²	66	116.3 Å²	116.3	68%	0.68	70%	0.697	S	S	*	*			cis	160.5	163.4	-13.1	0	0	0	0	0	115.8
227	Y	27	Very low	31.6	Very low	213 Å²	213	117.7 Å²	117.7	84%	0.835	70%	0.703	S	S	*	*			trans	76.3	132.7	157.9	-69.9	-82.1	0	0	0	124.2
228	S	27.8	Very low	31.6	Very low	99 Å²	99	123.5 Å²	123.5	69%	0.692	72%	0.719	S	S	*	*				94.6	103.9	127.4	-169.1	0	0	0	0	124.4
229	V	26.8	Very low	31.6	Very low	141 Å²	141	125.7 Å²	125.7	86%	0.855	73%	0.733	S	S	*	*				74.8	152.4	129.1	-177.1	0	0	0	0	120.6
230	Q	31.6	Very low	31.4	Very low	174 Å²	174	130.7 Å²	130.7	81%	0.813	76%	0.755	S	S	*	*			trans	-75	-175.1	173.7	-76.8	-164.6	7.2	0	0	112.1
231	P	40.6	Very low	31.4	Very low	109 Å²	109	130.1 Å²	130.1	71%	0.708	76%	0.762	S	S	*	*			cis	-140.3	-177.2	10.1	45.1	-26	0	0	0	117.4
232	A	28.5	Very low	31.5	Very low	96 Å²	96	133.5 Å²	133.5	79%	0.793	77%	0.768	S	S	*	*			trans	31.8	156.8	140.3	0	0	0	0	0	124.8
233	A	29.4	Very low	31.7	Very low	91 Å²	91	131.8 Å²	131.8	75%	0.752	77%	0.768	S	S	*	*			trans	92.5	94.8	151.1	0	0	0	0	0	120.8
234	V	31.5	Very low	32	Very low	140 Å²	140	133.3 Å²	133.3	85%	0.848	77%	0.768	S	S	*	*				50.4	109.4	114.3	-179.9	0	0	0	0	119.9
235	A	33.8	Very low	32.3	Very low	83 Å²	83	135.5 Å²	135.5	69%	0.686	76%	0.763	S	S	*	*			trans	56.8	130.5	139.1	0	0	0	0	0	122.5
236	L	35	Very low	33	Very low	160 Å²	160	128.6 Å²	128.6	84%	0.838	74%	0.744	S	S	*	*				-168.6	116.2	122.2	-100.8	154.2	0	0	0	112.5
237	H	32.3	Very low	33.7	Very low	165 Å²	165	126.7 Å²	126.7	76%	0.764	72%	0.719	S	S	*	*			trans	22.3	128.8	131.4	-69.3	-106.3	0	0	0	121.3
238	K	31.5	Very low	34.4	Very low	192 Å²	192	122.7 Å²	122.7	84%	0.835	71%	0.706	S	S	*	*				-174.8	139.4	100.8	-103.8	174.8	-179.6	-178.3	0	113.8
239	C	33.2	Very low	34.9	Very low	99 Å²	99	122 Å²	122	67%	0.669	70%	0.697	S	S	*	*				42.7	136.7	128.1	-69.4	0	0	0	0	121
240	D	27.6	Very low	35.5	Very low	145 Å²	145	118.7 Å²	118.7	78%	0.775	68%	0.68	S	S	*	*			cis	-150.3	166	14.2	-85.9	-42.3	0	0	0	114.6
241	S	34.7	Very low	35.7	Very low	90 Å²	90	115.5 Å²	115.5	63%	0.629	67%	0.669	S	S	*	*			trans	58.8	108.4	147.3	-89.6	0	0	0	0	124.5
242	E	32.3	Very low	35.6	Very low	164 Å²	164	115.3 Å²	115.3	77%	0.766	67%	0.666	S	S	*	*				78.4	127.6	117.2	86.2	-162.4	71.8	0	0	125.2
243	S	38.3	Very low	36	Very low	115 Å²	115	113.9 Å²	113.9	80%	0.804	66%	0.66	S	S	*	*			trans	68.6	147.9	158.1	70.7	0	0	0	0	119.8
244	D	39.4	Very low	36.3	Very low	150 Å²	150	114.2 Å²	114.2	80%	0.802	66%	0.657	S	S	*	*			cis	-162.3	175.9	-28.6	-174.6	29	0	0	0	107.8
245	I	35.9	Very low	36.3	Very low	109 Å²	109	113.7 Å²	113.7	56%	0.559	65%	0.645	S	S	*	*			trans	60.3	96.5	164.9	-176.4	59.4	0	0	0	117.7	Q51	Q51-I245 HydrophobicContact CB-CD1 3.85Å; Q51-I245 HydrophobicContact CG-CD1 3.64Å
246	D	46.3	Very low	36.4	Very low	99 Å²	99	117.3 Å²	117.3	53%	0.529	65%	0.645	S	S	.	*			trans	-35.3	167.4	150	-89.2	-52.2	0	0	0	115.2	Q51	Q51-D246 VanDerWaalsContact CD-CB 3.48Å; Q51-D246 VanDerWaalsContact NE2-CB 3.25Å; Q51-D246 PolarHBondContact NE2-OD2 3.08Å; Q51-D246 VanDerWaalsContact OE1-CB 3.31Å
247	D	44.4	Very low	36.4	Very low	27 Å²	27	116.1 Å²	116.1	14%	0.144	64%	0.639	C	S	.	*			cis	-138.5	155.7	27.5	-178.1	-19.9	0	0	0	109.2	E49	E49-D247 HydrophobicContact CB-CB 4.09Å; E49-D247 HydrophobicContact CG-CB 4.13Å; E49-D247 WeakPolarHBondContact CG-O 3.42Å; E49-D247 PolarHBondContact OE1-N 3.44Å; E49-D247 VanDerWaalsContact OE1-O 3.14Å
248	K	42.1	Very low	36.4	Very low	128 Å²	128	117.5 Å²	117.5	56%	0.557	64%	0.643	S	S	*	*			trans	-152	101.9	-167.9	-55	-70.1	162.5	-87.7	0	115.8	E49	E49-K248 IonicContact OE1-NZ 3.91Å; E49-K248 PolarHBondContact OE1-NZ 2.86Å; E49-K248 IonicContact OE2-NZ 2.48Å; E49-K248 PolarHBondContact OE2-NZ 3.34Å
249	V	38.8	Very low	36.5	Very low	85 Å²	85	113.5 Å²	113.5	52%	0.515	64%	0.64	S	S	.	*			trans	73.7	149.5	144.3	-179.3	0	0	0	0	118.1	D47	D47-V249 WeakPolarHBondContact O-CA 3.38Å; D47-V249 PolarHBondContact O-N 2.8Å; D47-V249 VanDerWaalsContact O-N 3.15Å
250	S	38.6	Very low	36.8	Very low	71 Å²	71	114.5 Å²	114.5	50%	0.497	65%	0.645	S	S	.	*			trans	-163.7	-151.1	168.7	-74.9	0	0	0	0	109.6	C45 S46	C45-S250 CarbonylContact C-O 3.38Å; S46-S250 WeakPolarHBondContact CA-O 3.33Å; S46-S250 PolarHBondContact N-O 2.86Å; S46-S250 VanDerWaalsContact N-O 3.17Å
251	D	35.2	Very low	36.8	Very low	107 Å²	107	113.8 Å²	113.8	57%	0.572	65%	0.646	S	S	*	*			trans	73.9	168.8	-179.7	-167	28.3	0	0	0	115.4	C45	C45-D251 WeakPolarHBondContact CA-OD2 3.49Å; C45-D251 HydrophobicContact CB-CB 3.65Å; C45-D251 WeakPolarHBondContact CB-OD2 3.15Å; C45-D251 PolarHBondContact SG-OD2 2.77Å
252	V	38	Very low	36.7	Very low	106 Å²	106	113.9 Å²	113.9	64%	0.642	65%	0.652	S	S	*	*			trans	-59.6	146.4	-160.2	169	0	0	0	0	114.8	C45	C45-V252 WeakPolarHBondContact CB-O 3.35Å; C45-V252 PolarHBondContact SG-O 3.48Å
253	G	38.2	Very low	37.1	Very low	66 Å²	66	111.8 Å²	111.8	68%	0.68	65%	0.653	S	S	*	*			cis	138.8	106.3	-1.2	0	0	0	0	0	112.6
254	S	34.5	Very low	36.6	Very low	98 Å²	98	116.1 Å²	116.1	69%	0.685	66%	0.657	S	S	*	*			trans	-154.1	153.4	173.8	87.4	0	0	0	0	106.9
255	E	31.6	Very low	36.2	Very low	128 Å²	128	112.5 Å²	112.5	60%	0.598	66%	0.655	S	S	*	*			cis	-168.4	169.2	-1	45.5	-159.5	92.7	0	0	111.5
256	K	36.4	Very low	35.7	Very low	159 Å²	159	113.9 Å²	113.9	69%	0.691	67%	0.668	S	S	*	*			trans	44.7	123.1	148.2	-67.9	158.9	-166.2	160.1	0	120.4
257	L	35.4	Very low	35.6	Very low	135 Å²	135	115 Å²	115	71%	0.707	68%	0.681	S	S	*	*				53.2	122.9	129.6	-47.2	173.8	0	0	0	117.4
258	F	31.2	Very low	34.8	Very low	194 Å²	194	117.5 Å²	117.5	85%	0.851	71%	0.706	S	S	*	*				-158.1	159.2	54.7	-93	-89	0	0	0	112.4
259	S	34.5	Very low	34.1	Very low	109 Å²	109	118.1 Å²	118.1	76%	0.762	72%	0.715	S	S	*	*			trans	-82.5	153.3	160.8	-48	0	0	0	0	110.3
260	P	39.9	Very low	33.8	Very low	119 Å²	119	121.4 Å²	121.4	77%	0.773	73%	0.725	S	S	*	*				-149	140.6	91.4	36.2	-18.3	0	0	0	117.5
261	T	27.3	Very low	33.2	Very low	130 Å²	130	122.6 Å²	122.6	80%	0.798	73%	0.733	S	S	*	*			trans	53.2	98.6	131.2	-45.5	0	0	0	0	122
262	A	33.1	Very low	33.3	Very low	92 Å²	92	122.2 Å²	122.2	76%	0.76	74%	0.738	S	S	*	*			trans	68	171.2	143.4	0	0	0	0	0	118.1
263	P	40.2	Very low	32.7	Very low	121 Å²	121	123.3 Å²	123.3	79%	0.786	75%	0.745	S	S	*	*			cis	-129.1	-149.4	-0.3	44.4	-27.1	0	0	0	114.2
264	K	28.2	Very low	32.6	Very low	206 Å²	206	124.9 Å²	124.9	90%	0.896	75%	0.746	S	S	*	*			trans	-48	154.8	171	-55.7	148.8	-178.9	173.3	0	112.4
265	G	29.7	Very low	32.5	Very low	73 Å²	73	129.1 Å²	129.1	75%	0.753	75%	0.752	S	S	*	*			cis	-177.7	-174.7	6.1	0	0	0	0	0	112.5
266	V	26.6	Very low	32.5	Very low	138 Å²	138	129 Å²	129	84%	0.836	76%	0.76	S	S	*	*			trans	-95.9	138.7	-164.8	175.4	0	0	0	0	113.2	A268	V266-A268 HydrophobicContact CG1-CB 4.32Å
267	P	43	Very low	32.2	Very low	123 Å²	123	126 Å²	126	80%	0.799	76%	0.758	S	S	*	*				-140.6	161.3	116	37.8	-25.9	0	0	0	113.7
268	A	27.8	Very low	31.8	Very low	80 Å²	80	121.9 Å²	121.9	66%	0.661	75%	0.748	S	S	*	*			cis	162.9	95	-30.3	0	0	0	0	0	108.2	V266	V266-A268 HydrophobicContact CG1-CB 4.32Å
269	N	28.8	Very low	31.7	Very low	140 Å²	140	116.9 Å²	116.9	75%	0.749	74%	0.737	S	S	*	*			trans	-170.1	-177.3	150.7	-115.5	12.5	0	0	0	107.2
270	E	31.2	Very low	31.5	Very low	155 Å²	155	114 Å²	114	72%	0.724	72%	0.719	S	S	*	*			cis	-124.5	176.6	13.5	-103.6	-50.2	150.4	0	0	113.5
271	S	27.6	Very low	31.4	Very low	96 Å²	96	116.6 Å²	116.6	67%	0.671	72%	0.719	S	S	*	*			trans	-138.8	161.6	172.1	90.2	0	0	0	0	111.6
272	S	36.2	Very low	31.5	Very low	98 Å²	98	115.4 Å²	115.4	69%	0.685	71%	0.711	S	S	*	*			cis	-153.3	164.6	6.5	43.9	0	0	0	0	109.2
273	V	26.2	Very low	31.5	Very low	129 Å²	129	113.9 Å²	113.9	78%	0.782	70%	0.695	S	S	*	*				163.3	137.3	102.9	153.7	0	0	0	0	105.6
274	S	36.5	Very low	31.1	Very low	99 Å²	99	109.9 Å²	109.9	69%	0.692	68%	0.675	S	S	*	*			cis	-163.8	-169.9	-10.3	58.4	0	0	0	0	110.1
275	K	32	Very low	31.5	Very low	187 Å²	187	106.8 Å²	106.8	81%	0.813	67%	0.668	S	S	*	*			trans	80	67	175.5	-66.3	-178.4	178.6	172.5	0	118
276	T	31.8	Very low	31.8	Very low	125 Å²	125	110.4 Å²	110.4	77%	0.767	67%	0.665	S	S	*	*				3.1	149.4	106.7	55.5	0	0	0	0	117.7
277	C	29.5	Very low	31.7	Very low	98 Å²	98	114.8 Å²	114.8	66%	0.662	67%	0.667	S	S	*	*			cis	-156.7	-172.7	-2	-114.8	0	0	0	0	110.5	K794	C277-K794 HydrophobicContact CB-CD 4.47Å; C277-K794 HydrophobicContact CB-CG 4.47Å; C277-K794 VanDerWaalsContact SG-CD 3.59Å; C277-K794 WeakPolarHBondContact SG-CE 3.12Å
278	G	27.9	Very low	31.3	Very low	47 Å²	47	113.9 Å²	113.9	49%	0.485	66%	0.663	S	S	.	*			trans	-158.9	-135	-171.5	0	0	0	0	0	112.7	K794	G278-K794 VanDerWaalsContact C-CG 3.46Å; G278-K794 WeakPolarHBondContact O-CA 3.29Å; G278-K794 WeakPolarHBondContact O-CG 3.47Å
279	S	29	Very low	31.5	Very low	90 Å²	90	116.6 Å²	116.6	63%	0.629	66%	0.662	S	S	*	*			trans	-155.3	176.2	166.4	-159.5	0	0	0	0	112.8	T795	S279-T795 PolarHBondContact OG-N 3.48Å
280	A	28.6	Very low	31.5	Very low	47 Å²	47	114.9 Å²	114.9	39%	0.388	65%	0.65	S	S	.	*			trans	-160	177.9	175.8	0	0	0	0	0	112.3	T795 G796	A280-T795 HydrophobicContact CB-CG2 3.52Å; A280-T795 CarbonylContact O-C 3.55Å; A280-T795 VanDerWaalsContact O-CA 3.3Å; A280-T795 WeakPolarHBondContact O-CA 3.39Å; A280-G796 PolarHBondContact O-N 3.42Å
281	K	38.8	Very low	31.6	Very low	175 Å²	175	114.9 Å²	114.9	76%	0.761	65%	0.65	S	S	*	*				29	137.9	129.5	-75.2	-168.1	174.3	-168.7	0	119.4	T795 G796	K281-T795 CarbonylContact O-C 3.54Å; K281-G796 CarbonylContact O-C 3.6Å; K281-G796 VanDerWaalsContact O-CA 3.23Å; K281-G796 WeakPolarHBondContact O-CA 3.38Å; K281-G796 PolarHBondContact O-N 2.87Å
282	V	30.1	Very low	32	Very low	105 Å²	105	111.6 Å²	111.6	64%	0.636	63%	0.626	S	S	*	*				-139.4	-67.1	56.8	56.7	0	0	0	0	118.6	E797	V282-E797 HydrophobicContact CG1-CG 3.76Å
283	S	31.4	Very low	31.6	Very low	60 Å²	60	110.9 Å²	110.9	42%	0.42	62%	0.615	S	S	.	*			trans	-144.1	176.5	-161.4	36.2	0	0	0	0	112.5	E797 A798	S283-E797 WeakPolarHBondContact CA-OE1 3.43Å; S283-E797 VanDerWaalsContact CB-OE1 3.26Å; S283-E797 WeakPolarHBondContact CB-OE1 3.09Å; S283-E797 VanDerWaalsContact O-CB 3.28Å; S283-E797 WeakPolarHBondContact O-CB 3.33Å; S283-E797 WeakPolarHBondContact O-CG 3.5Å; S283-E797 PolarHBondContact OG-OE1 3.44Å; S283-A798 WeakPolarHBondContact O-CB 3.28Å
284	G	32.1	Very low	32	Very low	36 Å²	36	105.7 Å²	105.7	37%	0.371	58%	0.584	S	S	.	*			trans	170.6	66.7	-174.9	0	0	0	0	0	116.2
285	L	37.4	Very low	31.9	Very low	141 Å²	141	110 Å²	110	74%	0.738	59%	0.593	S	S	*	*			trans	12.1	125.6	153.9	-141.7	73.7	0	0	0	122.5
286	Q	34.5	Very low	32.3	Very low	149 Å²	149	105.1 Å²	105.1	70%	0.696	58%	0.579	S	S	*	*			trans	59.7	119	140.8	-79.8	172.1	-124.6	0	0	123.2
287	R	26.2	Very low	33.1	Very low	231 Å²	231	103.9 Å²	103.9	87%	0.872	57%	0.573	S	S	*	*				41.5	130.7	117.6	-70.5	177.9	145.8	-144.6	-4.1	119.6
288	S	33.8	Very low	33.1	Very low	103 Å²	103	108.7 Å²	108.7	72%	0.72	58%	0.582	S	S	*	*			trans	70.6	157.7	161.3	-120.8	0	0	0	0	113.3
289	Q	32.2	Very low	33.2	Very low	138 Å²	138	110.6 Å²	110.6	65%	0.645	59%	0.594	S	S	*	*			cis	-156.8	135.1	4.4	-166.6	143.7	-29.3	0	0	109.7
290	E	28.5	Very low	34	Very low	104 Å²	104	112 Å²	112	49%	0.486	60%	0.601	S	S	.	*			trans	54.5	-173.8	155.3	-66.5	172.6	130.9	0	0	112.2	H1119	E290-H1119 WeakPolarHBondContact CB-NE2 3.24Å; E290-H1119 VanDerWaalsContact CD-ND1 3.29Å; E290-H1119 WeakPolarHBondContact CG-NE2 3.43Å; E290-H1119 IonicContact OE1-CE1 2.88Å; E290-H1119 PolarHBondContact OE1-CE1 3.33Å; E290-H1119 IonicContact OE1-ND1 4Å; E290-H1119 PolarHBondContact OE1-ND1 2.85Å; E290-H1119 IonicContact OE1-NE2 3.73Å; E290-H1119 PolarHBondContact OE1-NE2 3.36Å; E290-H1119 IonicContact OE2-CE1 2.73Å; E290-H1119 PolarHBondContact OE2-CE1 2.76Å; E290-H1119 IonicContact OE2-ND1 3.12Å; E290-H1119 IonicContact OE2-NE2 2.72Å
291	Q	33	Very low	34.5	Very low	155 Å²	155	115.2 Å²	115.2	72%	0.724	62%	0.618	S	S	*	*			cis	77.5	149.3	7.5	-51.5	179.3	141.5	0	0	112.1
292	S	35.8	Very low	34.1	Very low	26 Å²	26	113.1 Å²	113.1	18%	0.182	62%	0.619	C	S	.	*			cis	174.1	175.3	-14.1	54.2	0	0	0	0	110.3	E1116 G1118 H1119	S292-E1116 CarbonylContact C-O 3.59Å; S292-E1116 VanDerWaalsContact C-OE1 3.31Å; S292-E1116 WeakPolarHBondContact CA-OE1 3.34Å; S292-E1116 WeakPolarHBondContact CB-O 3.04Å; S292-E1116 WeakPolarHBondContact CB-OE1 3.46Å; S292-E1116 PolarHBondContact OG-O 3.2Å; S292-G1118 PolarHBondContact OG-N 2.83Å; S292-H1119 PolarHBondContact N-CD2 3.2Å; S292-H1119 PolarHBondContact OG-CD2 2.9Å
293	N	28.6	Very low	34.5	Very low	84 Å²	84	113.8 Å²	113.8	45%	0.449	63%	0.626	S	S	.	*			trans	-165.4	112.8	146.3	-102.3	-57.2	0	0	0	119.9	E1116	N293-E1116 VanDerWaalsContact C-CB 3.44Å; N293-E1116 CarbonylContact C-O 2.82Å; N293-E1116 VanDerWaalsContact C-O 3.26Å; N293-E1116 WeakPolarHBondContact CA-O 3.44Å; N293-E1116 PolarHBondContact N-O 3.32Å; N293-E1116 PolarHBondContact N-OE1 3.38Å
294	T	35	Very low	34.5	Very low	19 Å²	19	115.9 Å²	115.9	12%	0.117	64%	0.641	C	S	.	*			trans	-91.7	166.5	153.6	-64.6	0	0	0	0	108.8	V296 L1113 R1114 E1116 Q1117	T294-V296 HydrophobicContact CG2-CG2 4.24Å; T294-L1113 WeakPolarHBondContact CB-O 3.28Å; T294-L1113 WeakPolarHBondContact CG2-O 3.31Å; T294-L1113 VanDerWaalsContact OG1-C 3.25Å; T294-L1113 PolarHBondContact OG1-O 3.34Å; T294-R1114 VanDerWaalsContact OG1-C 3.23Å; T294-R1114 VanDerWaalsContact OG1-CA 3.26Å; T294-R1114 WeakPolarHBondContact OG1-CA 3.3Å; T294-R1114 PolarHBondContact OG1-O 3.13Å; T294-E1116 PolarHBondContact N-O 3.41Å; T294-E1116 PolarHBondContact OG1-N 3.18Å; T294-Q1117 VanDerWaalsContact CB-N 3.27Å; T294-Q1117 HydrophobicContact CG2-CB 4.37Å; T294-Q1117 WeakPolarHBondContact O-CB 3.46Å; T294-Q1117 PolarHBondContact O-NE2 2.72Å; T294-Q1117 PolarHBondContact OG1-N 3.08Å
295	E	34.2	Very low	35	Very low	191 Å²	191	120.1 Å²	120.1	89%	0.893	66%	0.662	S	S	*	*			trans	-100.3	99.1	157.8	-75.7	-177.1	116.9	0	0	112.7
296	V	40.6	Very low	35	Very low	84 Å²	84	118.6 Å²	118.6	51%	0.509	66%	0.658	S	S	.	*			trans	-93	147.2	155.6	154.2	0	0	0	0	105.5	T294 Q1117	T294-V296 HydrophobicContact CG2-CG2 4.24Å; V296-Q1117 HydrophobicContact CB-CB 3.83Å; V296-Q1117 VanDerWaalsContact CB-CD 3.48Å; V296-Q1117 HydrophobicContact CB-CG 4.13Å; V296-Q1117 VanDerWaalsContact CB-OE1 3.27Å; V296-Q1117 HydrophobicContact CG2-CB 4.09Å; V296-Q1117 PolarHBondContact O-NE2 2.94Å; V296-Q1117 PolarHBondContact O-OE1 2.66Å
297	P	48.1	Very low	35.3	Very low	99 Å²	99	113.9 Å²	113.9	64%	0.643	64%	0.64	S	S	*	*				-147.2	167.1	95.3	35.3	-14.4	0	0	0	117.7
298	F	30.2	Very low	35.5	Very low	198 Å²	198	103.9 Å²	103.9	87%	0.868	61%	0.607	S	S	*	*			trans	86.1	148.8	166.3	-62.5	-74.2	0	0	0	120.7
299	A	29.2	Very low	35.4	Very low	87 Å²	87	103.2 Å²	103.2	72%	0.719	60%	0.603	S	S	*	*			trans	-145.4	-168	-178.5	0	0	0	0	0	106.3
300	P	45.3	Very low	35.8	Very low	120 Å²	120	99.8 Å²	99.8	78%	0.779	60%	0.598	S	S	*	*			cis	-112.5	-146	-20.7	41.6	-25	0	0	0	108.3
301	P	40.4	Very low	36.7	Very low	114 Å²	114	100.2 Å²	100.2	74%	0.74	61%	0.609	S	S	*	*			cis	-130.7	-164.3	-13.1	40.8	-20.8	0	0	0	115
302	V	30.3	Very low	36.5	Very low	132 Å²	132	99.3 Å²	99.3	80%	0.8	62%	0.615	S	S	*	*			trans	-54.1	162.9	166.9	-96.8	0	0	0	0	113.9
303	P	38.1	Very low	36.1	Very low	119 Å²	119	101 Å²	101	77%	0.773	64%	0.636	S	S	*	*			cis	-140	-172.5	29.9	43.1	-23.9	0	0	0	117.9
304	S	30.5	Very low	36.4	Very low	104 Å²	104	102.9 Å²	102.9	73%	0.727	66%	0.656	S	S	*	*			trans	-67.4	157	166	60.6	0	0	0	0	112.7
305	P	43.1	Very low	37.2	Very low	125 Å²	125	108 Å²	108	81%	0.812	69%	0.69	S	S	*	*				-147.4	170.3	77.5	40.2	-22.6	0	0	0	116.5
306	T	37.3	Very low	37	Very low	109 Å²	109	103.1 Å²	103.1	67%	0.669	68%	0.682	S	S	*	*			trans	-90.9	160.9	156.6	-13.3	0	0	0	0	109.1
307	P	41.8	Very low	36.9	Very low	49 Å²	49	107.6 Å²	107.6	32%	0.318	70%	0.702	S	S	.	*				-162	-174.6	86.3	40.1	-16.8	0	0	0	117.7	Q501 L669	P307-Q501 HydrophobicContact CB-CG 3.35Å; P307-L669 HydrophobicContact CG-CD1 3.53Å; P307-L669 HydrophobicContact CG-CD2 3.77Å; P307-L669 HydrophobicContact CG-CG 3.63Å
308	A	29.9	Very low	36.3	Very low	21 Å²	21	106.5 Å²	106.5	17%	0.174	70%	0.701	C	S	.	*			trans	72.8	109.7	142.1	0	0	0	0	0	123.1	D668 L669	A308-D668 VanDerWaalsContact CB-O 3.23Å; A308-D668 WeakPolarHBondContact CB-O 3.26Å; A308-D668 PolarHBondContact O-N 2.74Å; A308-L669 HydrophobicContact CB-CG 4.2Å
309	S	32.4	Very low	36.5	Very low	90 Å²	90	101.1 Å²	101.1	63%	0.629	69%	0.694	S	S	*	*				72.3	169.5	120.8	-56.4	0	0	0	0	121.7	L667 D668	S309-L667 CarbonylContact O-C 3.49Å; S309-L667 PolarHBondContact O-N 2.88Å; S309-D668 PolarHBondContact O-N 3.38Å
310	A	39.6	Very low	36.8	Very low	66 Å²	66	101 Å²	101	55%	0.545	69%	0.693	S	S	.	*			trans	-162.4	166.4	-175.9	0	0	0	0	0	111.3
311	P	46.9	Very low	36.1	Very low	112 Å²	112	99.9 Å²	99.9	73%	0.727	69%	0.693	S	S	*	*			trans	-89.7	-170.7	152.5	40.3	-35.2	0	0	0	109.8
312	T	30.2	Very low	35.6	Very low	137 Å²	137	98.7 Å²	98.7	84%	0.84	69%	0.693	S	S	*	*			cis	-153.7	156.5	13.2	-53	0	0	0	0	106.4
313	G	27.3	Very low	37	Very low	61 Å²	61	98.2 Å²	98.2	63%	0.629	69%	0.693	S	S	*	*			cis	175.7	-149.7	1.8	0	0	0	0	0	110.8
314	S	33.3	Very low	37.7	Very low	124 Å²	124	97.4 Å²	97.4	87%	0.867	69%	0.687	S	S	*	*			trans	-170.5	174.9	-175.8	-89.1	0	0	0	0	109.1
315	P	52.8	Low	37.8	Very low	127 Å²	127	98.1 Å²	98.1	83%	0.825	68%	0.679	S	S	*	*			cis	-148.2	-159.7	33.3	43.8	-20.6	0	0	0	117.5
316	A	30.9	Very low	37.1	Very low	88 Å²	88	99.3 Å²	99.3	73%	0.727	68%	0.678	S	S	*	*			trans	-150.5	-173.5	-179.5	0	0	0	0	0	111.8
317	L	37.6	Very low	37.1	Very low	178 Å²	178	99.7 Å²	99.7	93%	0.932	67%	0.667	S	S	*	*			trans	-136.7	-177.7	178	-60.9	173.4	0	0	0	110.4
318	A	35.1	Very low	36.7	Very low	75 Å²	75	99.2 Å²	99.2	62%	0.62	67%	0.671	S	S	*	*			cis	-154.4	179.5	11	0	0	0	0	0	112.7	K116	K116-A318 PolarHBondContact NZ-O 3Å
319	A	35.1	Very low	36.9	Very low	86 Å²	86	100.9 Å²	100.9	71%	0.711	68%	0.681	S	S	*	*			trans	-70.4	-166.1	174.7	0	0	0	0	0	113.6	K116	K116-A319 PolarHBondContact NZ-O 3.14Å
320	A	34.9	Very low	37	Very low	85 Å²	85	106.5 Å²	106.5	70%	0.702	69%	0.689	S	S	*	*			cis	-119.5	-139.9	-14.6	0	0	0	0	0	108.5
321	A	30.6	Very low	36.6	Very low	96 Å²	96	109.7 Å²	109.7	79%	0.793	70%	0.696	S	S	*	*			cis	-168.6	-174.4	11	0	0	0	0	0	107.1
322	A	30.4	Very low	37.1	Very low	89 Å²	89	110.1 Å²	110.1	74%	0.736	70%	0.699	S	S	*	*			cis	168.1	171.9	-30.7	0	0	0	0	0	106.2
323	P	59.1	Low	37	Very low	122 Å²	122	109.4 Å²	109.4	79%	0.792	70%	0.695	S	S	*	*			cis	-115.9	-126.7	-9.1	36.6	-14.3	0	0	0	109.1
324	P	52.7	Low	38.4	Very low	101 Å²	101	112.1 Å²	112.1	66%	0.656	70%	0.701	S	S	*	*			cis	-132.4	168.1	-33.6	35.8	-17.5	0	0	0	117.1
325	E	33.9	Very low	39.9	Very low	120 Å²	120	111.7 Å²	111.7	56%	0.561	70%	0.695	S	S	*	*			trans	57	-164.7	160	-66.1	-81.5	-89.5	0	0	115.1	R327	E325-R327 VanDerWaalsContact CD-NH2 3.34Å; E325-R327 WeakPolarHBondContact OE1-CG 3.49Å; E325-R327 IonicContact OE1-CZ 2.86Å; E325-R327 IonicContact OE1-NE 3.08Å; E325-R327 PolarHBondContact OE1-NE 2.85Å; E325-R327 IonicContact OE1-NH2 3.32Å; E325-R327 PolarHBondContact OE1-NH2 3.37Å; E325-R327 VanDerWaalsContact OE1-NH2 3.08Å; E325-R327 IonicContact OE2-CZ 3.79Å; E325-R327 IonicContact OE2-NE 2.8Å; E325-R327 IonicContact OE2-NH2 3.63Å; E325-R327 PolarHBondContact OE2-NH2 2.86Å
326	L	28	Very low	39.9	Very low	150 Å²	150	111.5 Å²	111.5	79%	0.785	69%	0.694	S	S	*	*			cis	-150.2	162.7	8.7	-76.7	165.8	0	0	0	109.8
327	R	36.6	Very low	39.9	Very low	117 Å²	117	114.9 Å²	114.9	44%	0.442	70%	0.699	S	S	.	*			cis	-173.2	144.1	-36.2	-112	-61.9	151.9	-129.3	-10.6	111.4	E325 D1035 I1036	E325-R327 VanDerWaalsContact CD-NH2 3.34Å; E325-R327 WeakPolarHBondContact OE1-CG 3.49Å; E325-R327 IonicContact OE1-CZ 2.86Å; E325-R327 IonicContact OE1-NE 3.08Å; E325-R327 PolarHBondContact OE1-NE 2.85Å; E325-R327 IonicContact OE1-NH2 3.32Å; E325-R327 PolarHBondContact OE1-NH2 3.37Å; E325-R327 VanDerWaalsContact OE1-NH2 3.08Å; E325-R327 IonicContact OE2-CZ 3.79Å; E325-R327 IonicContact OE2-NE 2.8Å; E325-R327 IonicContact OE2-NH2 3.63Å; E325-R327 PolarHBondContact OE2-NH2 2.86Å; R327-D1035 WeakPolarHBondContact CA-OD2 3.48Å; R327-D1035 IonicContact CZ-OD2 3.73Å; R327-D1035 IonicContact NH1-OD2 2.72Å; R327-D1035 PolarHBondContact NH1-OD2 2.48Å; R327-I1036 VanDerWaalsContact NH1-CD1 3.26Å
328	G	32.6	Very low	39.5	Very low	39 Å²	39	111.1 Å²	111.1	40%	0.402	69%	0.688	S	S	.	*			trans	121.6	105.8	159.8	0	0	0	0	0	116.3	S1034 D1035	G328-S1034 CarbonylContact O-C 3.35Å; G328-S1034 VanDerWaalsContact O-C 3.28Å; G328-S1034 WeakPolarHBondContact O-CA 3.47Å; G328-S1034 PolarHBondContact O-N 3.35Å; G328-D1035 VanDerWaalsContact N-CG 3.26Å; G328-D1035 PolarHBondContact N-OD2 2.45Å; G328-D1035 WeakPolarHBondContact O-CB 3.47Å
329	S	35.3	Very low	39	Very low	55 Å²	55	114.6 Å²	114.6	39%	0.385	70%	0.701	S	S	.	*	B	Isolated β-bridge	trans	-131.1	166.7	-160.9	57.7	0	0	0	0	119.1	S1034 D1035 I1036	S329-S1034 WeakPolarHBondContact CA-O 3.42Å; S329-D1035 VanDerWaalsContact CB-C 3.49Å; S329-D1035 VanDerWaalsContact CB-N 3.35Å; S329-D1035 WeakPolarHBondContact CB-O 3.4Å; S329-I1036 WeakPolarHBondContact CB-O 3.17Å; S329-I1036 PolarHBondContact OG-O 3.34Å
330	R	35.1	Very low	38.8	Very low	208 Å²	208	119.7 Å²	119.7	79%	0.785	71%	0.707	S	S	*	*			trans	173	127	139.9	-94.8	157.1	178.5	-103.5	-0.1	119.6	S1034	R330-S1034 PolarHBondContact N-O 3.19Å
331	L	30.9	Very low	38.5	Very low	133 Å²	133	123.6 Å²	123.6	70%	0.696	71%	0.708	S	S	*	*				73	171.5	128	-69	171.8	0	0	0	122.7
332	P	57.3	Low	38.3	Very low	122 Å²	122	126.4 Å²	126.4	79%	0.792	71%	0.705	S	S	*	*			cis	-132.2	-177.4	6.5	33.3	-9.6	0	0	0	120.1
333	T	28.6	Very low	38.8	Very low	122 Å²	122	130.9 Å²	130.9	75%	0.748	71%	0.71	S	S	*	*			trans	-90.2	-175.3	-172.2	13.5	0	0	0	0	115.6
334	P	55.9	Low	37.3	Very low	117 Å²	117	133.9 Å²	133.9	76%	0.76	71%	0.714	S	S	*	*			cis	-133.7	-135.5	22.8	43.5	-18.8	0	0	0	116.1
335	P	64	Low	36.9	Very low	115 Å²	115	134.4 Å²	134.4	75%	0.747	72%	0.717	S	S	*	*			trans	-117.4	-155.7	-137	36.4	-10.2	0	0	0	112.8
336	P	52.4	Low	38.1	Very low	123 Å²	123	134 Å²	134	80%	0.799	73%	0.725	S	S	*	*			cis	-145.2	-153.1	8.6	47.2	-24.7	0	0	0	118.5
337	L	31.6	Very low	39.8	Very low	159 Å²	159	132.7 Å²	132.7	83%	0.832	73%	0.725	S	S	*	*			trans	-48.4	134.2	-174	-66.1	166.2	0	0	0	121.4
338	S	28.7	Very low	40.6	Very low	100 Å²	100	132.6 Å²	132.6	70%	0.699	74%	0.74	S	S	*	*			trans	16.3	138.9	137.2	63.7	0	0	0	0	123.6
339	V	26.2	Very low	40.6	Very low	148 Å²	148	136.4 Å²	136.4	90%	0.897	76%	0.755	S	S	*	*				-175.9	166.3	118.5	143.4	0	0	0	0	111.4
340	K	30.2	Very low	41	Very low	193 Å²	193	139.3 Å²	139.3	84%	0.839	77%	0.773	S	S	*	*			trans	-121	143.2	-176.2	161.4	-167.6	176.6	-175.3	0	110.2
341	K	29.1	Very low	40.9	Very low	167 Å²	167	135 Å²	135	73%	0.726	77%	0.77	S	S	*	*			trans	150.3	164.3	146.2	179.9	166.8	-177.8	-73.7	0	114.5
342	E	26.2	Very low	42.5	Very low	154 Å²	154	133.9 Å²	133.9	72%	0.72	77%	0.77	S	S	*	*			trans	92.1	153	163	-125.7	75.1	111.9	0	0	120.3
343	Q	41	Very low	42	Very low	183 Å²	183	133.6 Å²	133.6	86%	0.855	77%	0.769	S	S	*	*			trans	-161.7	126.1	-155.3	173	-176.8	0.9	0	0	111.4
344	Q	27	Very low	42	Very low	186 Å²	186	135.1 Å²	135.1	87%	0.869	77%	0.771	S	S	*	*			trans	-159.6	174.6	174.1	-113.7	-169	-37	0	0	112.2
345	P	45.3	Very low	40.8	Very low	111 Å²	111	136.1 Å²	136.1	72%	0.721	77%	0.77	S	S	*	*				-123.7	-131.9	-124.4	33.6	-8.5	0	0	0	117.7
346	P	57.4	Low	39	Very low	112 Å²	112	140.2 Å²	140.2	73%	0.727	78%	0.776	S	S	*	*				-109.3	-167.4	-128.3	36.9	-15.2	0	0	0	113.4
347	P	63.8	Low	37.7	Very low	122 Å²	122	138.6 Å²	138.6	79%	0.792	77%	0.772	S	S	*	*			cis	-127.3	-141.4	11.9	42.4	-19.1	0	0	0	111.3
348	P	53.7	Low	38.5	Very low	116 Å²	116	136.6 Å²	136.6	75%	0.753	77%	0.769	S	S	*	*			cis	-129.8	-148.4	-2.1	44.5	-23.9	0	0	0	115.1
349	V	34	Very low	39.4	Very low	119 Å²	119	136.6 Å²	136.6	72%	0.721	77%	0.767	S	S	*	*			trans	-145.9	164.4	-177.8	-139.5	0	0	0	0	110.7	T351	V349-T351 HydrophobicContact CG1-CG2 4.29Å
350	P	42.9	Very low	39.5	Very low	115 Å²	115	138.9 Å²	138.9	75%	0.747	77%	0.767	S	S	*	*				-139.5	126.1	90	31	-13.4	0	0	0	113.8
351	T	33.3	Very low	39.5	Very low	119 Å²	119	133.9 Å²	133.9	73%	0.73	76%	0.762	S	S	*	*				77.9	145.7	80.4	50.5	0	0	0	0	116.9	V349	V349-T351 HydrophobicContact CG1-CG2 4.29Å
352	P	65.1	Low	40.5	Very low	108 Å²	108	131.6 Å²	131.6	70%	0.701	76%	0.764	S	S	*	*			trans	-135.6	-170	-141.8	45.2	-28.4	0	0	0	116.3
353	P	45.9	Very low	41.6	Very low	117 Å²	117	129.2 Å²	129.2	76%	0.76	76%	0.762	S	S	*	*			trans	-96.9	-168.8	154.1	39.3	-35.5	0	0	0	113.6
354	L	28.4	Very low	41	Very low	153 Å²	153	129.2 Å²	129.2	80%	0.801	76%	0.762	S	S	*	*			trans	-121.4	179	-176.2	-92.1	69.6	0	0	0	110.3
355	L	30.3	Very low	41.5	Very low	139 Å²	139	127.2 Å²	127.2	73%	0.728	76%	0.756	S	S	*	*			cis	161.4	138.6	-32.5	-99.3	-174.9	0	0	0	107.5
356	K	27.2	Very low	41.4	Very low	201 Å²	201	127.9 Å²	127.9	87%	0.874	76%	0.76	S	S	*	*			trans	66.6	156.2	151.9	-77.2	179.8	174.4	178.3	0	122.6
357	A	23.7	Very low	40.2	Very low	88 Å²	88	130.5 Å²	130.5	73%	0.727	76%	0.763	S	S	*	*			trans	-115.8	-163	168.2	0	0	0	0	0	108.5
358	P	49.1	Very low	39.4	Very low	117 Å²	117	129.8 Å²	129.8	76%	0.76	76%	0.758	S	S	*	*			cis	-122.7	-131.9	-13.8	35.8	-12.3	0	0	0	108.3
359	P	48.7	Very low	38.3	Very low	101 Å²	101	133 Å²	133	66%	0.656	76%	0.762	S	S	*	*			cis	-132.8	-165.7	-25.6	27.6	-2	0	0	0	114.6
360	H	27.8	Very low	38	Very low	195 Å²	195	133.3 Å²	133.3	90%	0.903	77%	0.77	S	S	*	*			trans	76	169.7	164.6	-78.6	-75.3	0	0	0	119.5
361	A	29.9	Very low	37.4	Very low	88 Å²	88	136.2 Å²	136.2	73%	0.727	77%	0.773	S	S	*	*			trans	-133	-146.1	-155.5	0	0	0	0	0	113.2
362	P	49.8	Very low	37.6	Very low	120 Å²	120	136.2 Å²	136.2	78%	0.779	78%	0.775	S	S	*	*				-89.4	-167.3	-119.1	43.2	-29.3	0	0	0	112.6
363	P	50.2	Low	35.8	Very low	104 Å²	104	138.1 Å²	138.1	68%	0.675	78%	0.775	S	S	*	*			cis	-152.4	-175	15.4	46.5	-25.4	0	0	0	120.3
364	H	27.4	Very low	35.5	Very low	182 Å²	182	137.7 Å²	137.7	84%	0.843	77%	0.772	S	S	*	*			trans	75.4	153.8	147.2	-82.6	-65.7	0	0	0	124
365	L	37.3	Very low	35.5	Very low	145 Å²	145	140.7 Å²	140.7	76%	0.759	77%	0.773	S	S	*	*			trans	-77.1	161.7	-175.3	-86.3	163.7	0	0	0	113
366	P	44	Very low	35.3	Very low	124 Å²	124	140.7 Å²	140.7	81%	0.805	78%	0.778	S	S	*	*				-152.5	-178.4	66.4	41.3	-19.4	0	0	0	119.7
367	H	32.7	Very low	35.5	Very low	168 Å²	168	138.6 Å²	138.6	78%	0.778	78%	0.776	S	S	*	*			trans	-68.1	171.6	164.7	-90.4	23.4	0	0	0	112.6
368	P	46.7	Very low	36.4	Very low	107 Å²	107	140 Å²	140	70%	0.695	78%	0.777	S	S	*	*			cis	-155.8	-178.8	42.5	44.6	-22	0	0	0	121.2
369	H	30.1	Very low	36.4	Very low	182 Å²	182	139.4 Å²	139.4	84%	0.843	77%	0.774	S	S	*	*			trans	24.8	134.2	151.6	-61.7	-58.3	0	0	0	123.7
370	S	27.1	Very low	36.6	Very low	126 Å²	126	139.9 Å²	139.9	88%	0.881	78%	0.777	S	S	*	*				-172.1	163.6	110.4	47.6	0	0	0	0	112.7
371	H	31.2	Very low	37.2	Very low	176 Å²	176	135.5 Å²	135.5	82%	0.815	77%	0.766	S	S	*	*			trans	-133.6	151.9	174.1	-145.2	-52.6	0	0	0	107.6
372	P	37.7	Very low	37.2	Very low	119 Å²	119	138.6 Å²	138.6	77%	0.773	77%	0.765	S	S	*	*				-143.8	170.1	127.4	36.5	-22.5	0	0	0	114.6
373	E	27.2	Very low	36.4	Very low	148 Å²	148	141.1 Å²	141.1	69%	0.692	77%	0.766	S	S	*	*			trans	-123.2	157.1	160	-165.8	-140.7	115	0	0	106.1	R375	E373-R375 PolarHBondContact OE1-N 2.89Å
374	P	39.3	Very low	35.4	Very low	109 Å²	109	140.8 Å²	140.8	71%	0.708	77%	0.772	S	S	*	*				-155.3	143.4	104.7	36.7	-17.6	0	0	0	118
375	R	27.7	Very low	35.4	Very low	215 Å²	215	142.7 Å²	142.7	81%	0.811	77%	0.772	S	S	*	*				44.1	140.4	128.8	-54.4	174.8	172.3	-176.9	-3.8	122.2	E373	E373-R375 PolarHBondContact OE1-N 2.89Å
376	V	27.6	Very low	36.2	Very low	139 Å²	139	141 Å²	141	84%	0.842	77%	0.769	S	S	*	*				174.7	155.7	108.5	153.5	0	0	0	0	112.1
377	L	31	Very low	35.7	Very low	158 Å²	158	141.1 Å²	141.1	83%	0.827	77%	0.768	S	S	*	*			trans	-138.2	179.6	-177.2	-79.3	166.8	0	0	0	108.9
378	P	42.7	Very low	35.7	Very low	116 Å²	116	140.3 Å²	140.3	75%	0.753	77%	0.767	S	S	*	*			cis	-127.3	-105.2	-12.8	21	6.4	0	0	0	117.7
379	P	47.7	Very low	34.8	Very low	106 Å²	106	138.8 Å²	138.8	69%	0.688	76%	0.759	S	S	*	*				-131.5	-155.4	-125	48	-28.4	0	0	0	115.2
380	P	53	Low	35	Very low	110 Å²	110	137.3 Å²	137.3	71%	0.714	75%	0.752	S	S	*	*			cis	-142.9	-4.5	-5.1	44.6	-27.5	0	0	0	125.1
381	P	42.2	Very low	35.3	Very low	104 Å²	104	138.6 Å²	138.6	68%	0.675	75%	0.745	S	S	*	*				-109.3	134.6	-125.3	36.3	-27.8	0	0	0	122.3
382	H	28.5	Very low	35.4	Very low	152 Å²	152	135 Å²	135	70%	0.704	73%	0.734	S	S	*	*			trans	56.1	121.1	135.1	-66.6	-66.7	0	0	0	127.5
383	H	34.5	Very low	35.1	Very low	173 Å²	173	136.5 Å²	136.5	80%	0.801	73%	0.731	S	S	*	*			trans	63.2	155.8	138.2	-57.7	-50.7	0	0	0	121.3
384	A	27.8	Very low	35.3	Very low	97 Å²	97	136.9 Å²	136.9	80%	0.802	73%	0.732	S	S	*	*			cis	-146.2	179.9	8.1	0	0	0	0	0	114.8
385	R	28.1	Very low	35.6	Very low	223 Å²	223	136.8 Å²	136.8	84%	0.842	73%	0.732	S	S	*	*			trans	-98.8	-166.7	176.1	-71.8	-178.5	69.8	-164.4	3.3	110.2
386	P	52.7	Low	35.7	Very low	108 Å²	108	133.3 Å²	133.3	70%	0.701	73%	0.729	S	S	*	*			cis	-146.4	-154.7	9.3	45.9	-23.6	0	0	0	117.7
387	V	35.1	Very low	35.5	Very low	128 Å²	128	134.1 Å²	134.1	78%	0.776	72%	0.723	S	S	*	*			trans	89.5	137.3	-172.9	-179.9	0	0	0	0	112.4
388	I	31.7	Very low	35.2	Very low	150 Å²	150	135.7 Å²	135.7	77%	0.769	72%	0.72	S	S	*	*			cis	-152.7	148	-25.9	-105.6	178.7	0	0	0	104.2
389	S	28.6	Very low	34.5	Very low	76 Å²	76	136.3 Å²	136.3	53%	0.531	72%	0.717	S	S	.	*			cis	105.3	84.3	21.8	177.3	0	0	0	0	114
390	H	34.9	Very low	33.5	Very low	150 Å²	150	135.8 Å²	135.8	69%	0.694	72%	0.715	S	S	*	*				97.7	161.1	91.5	-70.1	-30.4	0	0	0	113.3
391	Q	32.3	Very low	32.5	Very low	154 Å²	154	137.4 Å²	137.4	72%	0.72	72%	0.717	S	S	*	*			cis	-173.5	170.2	-21.7	-98.4	-175.2	115.5	0	0	107.4
392	V	33.4	Very low	32.2	Very low	99 Å²	99	140.2 Å²	140.2	60%	0.6	72%	0.721	S	S	*	*			cis	-176.8	-168.5	-33.4	72.9	0	0	0	0	108.4
393	H	30.7	Very low	32.1	Very low	152 Å²	152	139 Å²	139	70%	0.704	72%	0.72	S	S	*	*			trans	88.4	170.7	164.5	-73.7	-36.2	0	0	0	121.4
394	H	31.5	Very low	31.9	Very low	155 Å²	155	137 Å²	137	72%	0.718	71%	0.714	S	S	*	*			trans	-135.3	-163.1	-156.4	-22.7	-84.4	0	0	0	108.7
395	P	46.1	Very low	31.9	Very low	108 Å²	108	136.9 Å²	136.9	70%	0.701	71%	0.707	S	S	*	*			cis	-138.2	-163.9	-14.9	27.9	-1.6	0	0	0	114.2
396	L	29.3	Very low	32	Very low	142 Å²	142	134 Å²	134	74%	0.743	70%	0.703	S	S	*	*			trans	81.3	124.8	153	-60.3	-177.5	0	0	0	123.6
397	Q	24.6	Very low	31	Very low	155 Å²	155	133.6 Å²	133.6	72%	0.724	70%	0.702	S	S	*	*				76.3	129.7	129.3	-73	-175.9	-18.5	0	0	125.5
398	Y	25.1	Very low	30.7	Very low	191 Å²	191	133 Å²	133	75%	0.749	70%	0.704	S	S	*	*			trans	86.5	124.5	135.6	-97.7	-115.8	0	0	0	123.8
399	N	26.8	Very low	30.8	Very low	130 Å²	130	131.2 Å²	131.2	70%	0.695	71%	0.705	S	S	*	*			trans	55.3	126.5	141.1	-80.1	7	0	0	0	122.7
400	S	25.9	Very low	31.6	Very low	94 Å²	94	133.5 Å²	133.5	66%	0.657	72%	0.718	S	S	*	*				154.6	135.1	95.4	-99.8	0	0	0	0	116.2
401	L	33.9	Very low	31.7	Very low	144 Å²	144	135.1 Å²	135.1	75%	0.754	73%	0.731	S	S	*	*			trans	61.3	131	138.8	-54.1	168.5	0	0	0	122.8
402	H	34.8	Very low	31.6	Very low	163 Å²	163	131.2 Å²	131.2	76%	0.755	73%	0.731	S	S	*	*				32.1	153.2	123.5	-62.5	-99.6	0	0	0	121.1
403	D	26.6	Very low	31.8	Very low	128 Å²	128	134.6 Å²	134.6	68%	0.684	75%	0.745	S	S	*	*			cis	-169.4	-173.2	24.1	-142	-37.4	0	0	0	114.4
404	I	30.5	Very low	31.8	Very low	130 Å²	130	131.1 Å²	131.1	67%	0.667	74%	0.743	S	S	*	*			trans	87.1	97	152.5	-65.7	147.7	0	0	0	120.2
405	S	27.1	Very low	31.9	Very low	95 Å²	95	132 Å²	132	66%	0.664	74%	0.744	S	S	*	*				39.8	142.4	121.2	-50.9	0	0	0	0	123.7
406	H	30.1	Very low	31.4	Very low	163 Å²	163	134.7 Å²	134.7	76%	0.755	75%	0.748	S	S	*	*				177.5	139.1	96.9	-91.8	-71.2	0	0	0	115.6
407	S	31.8	Very low	31.6	Very low	98 Å²	98	136.2 Å²	136.2	69%	0.685	75%	0.751	S	S	*	*			trans	0.7	154.2	148.9	47.5	0	0	0	0	122
408	S	29	Very low	32.1	Very low	115 Å²	115	130 Å²	130	80%	0.804	72%	0.723	S	S	*	*			cis	-176.6	179	-0.4	48.4	0	0	0	0	111.9
409	S	33.2	Very low	33.4	Very low	114 Å²	114	124.4 Å²	124.4	80%	0.797	71%	0.71	S	S	*	*			trans	-118.4	155.2	-178.3	-58.4	0	0	0	0	115.9
410	P	46	Very low	34.8	Very low	124 Å²	124	120.3 Å²	120.3	81%	0.805	69%	0.69	S	S	*	*			trans	-91.7	-174.8	170.9	38.5	-36.6	0	0	0	114.2
411	L	36.9	Very low	35.4	Very low	184 Å²	184	118 Å²	118	96%	0.963	67%	0.673	S	S	*	*			trans	-145.2	144.5	-168.4	-72.9	167.7	0	0	0	115.7
412	G	31.3	Very low	36.2	Very low	71 Å²	71	113.6 Å²	113.6	73%	0.732	65%	0.654	S	S	*	*			trans	120.1	162.9	150.9	0	0	0	0	0	118
413	L	37	Very low	36.4	Very low	170 Å²	170	108.8 Å²	108.8	89%	0.89	63%	0.631	S	S	*	*			cis	-169.8	162.9	-12.7	-122.6	175.2	0	0	0	112.4
414	A	31.3	Very low	37	Very low	79 Å²	79	109 Å²	109	65%	0.653	63%	0.628	S	S	*	*			trans	70.6	160.1	154.3	0	0	0	0	0	120.5
415	K	33.7	Very low	37.3	Very low	173 Å²	173	107.8 Å²	107.8	75%	0.752	62%	0.619	S	S	*	*			cis	-164.8	153.4	-19.9	-108.8	172.9	175.6	174.3	0	113.3
416	Q	34.7	Very low	37.7	Very low	165 Å²	165	111.1 Å²	111.1	77%	0.771	63%	0.629	S	S	*	*			trans	65	113.8	139.3	-70.2	167.3	-27.3	0	0	126.7
417	H	33.1	Very low	37.8	Very low	175 Å²	175	108.6 Å²	108.6	81%	0.81	63%	0.629	S	S	*	*				73.4	176.4	115.4	-144.7	-107.8	0	0	0	124.6
418	L	35.5	Very low	37.6	Very low	25 Å²	25	107.8 Å²	107.8	13%	0.131	64%	0.636	C	S	.	*			trans	-136.2	167.8	-159.9	-107.6	177.7	0	0	0	111.7	Y176 K179	Y176-L418 HydrophobicContact CD1-CD1 4.01Å; Y176-L418 HydrophobicContact CD2-CD1 3.62Å; Y176-L418 HydrophobicContact CD2-CD2 4.47Å; Y176-L418 HydrophobicContact CD2-CG 3.91Å; Y176-L418 HydrophobicContact CE1-CD1 4.07Å; Y176-L418 HydrophobicContact CE1-CD2 3.81Å; Y176-L418 HydrophobicContact CE1-CG 4.25Å; Y176-L418 HydrophobicContact CE2-CD1 3.69Å; Y176-L418 HydrophobicContact CE2-CD2 3.7Å; Y176-L418 HydrophobicContact CE2-CG 3.45Å; Y176-L418 VanDerWaalsContact CE2-CG 3.45Å; Y176-L418 HydrophobicContact CG-CD1 3.8Å; Y176-L418 HydrophobicContact CG-CG 4.49Å; Y176-L418 VanDerWaalsContact OH-CD2 3.22Å; Y176-L418 WeakPolarHBondContact OH-CD2 3.28Å; K179-L418 HydrophobicContact CB-CD1 4.28Å; K179-L418 HydrophobicContact CB-CD2 4.48Å; K179-L418 HydrophobicContact CD-CD1 3.92Å; K179-L418 HydrophobicContact CD-CD2 3.39Å; K179-L418 HydrophobicContact CD-CG 4.27Å
419	P	52.5	Low	37.9	Very low	73 Å²	73	110.7 Å²	110.7	47%	0.474	64%	0.642	S	S	.	*				-146.4	-123.5	74.1	32.4	-4.4	0	0	0	118.8	K179	K179-P419 HydrophobicContact CB-CB 4.32Å; K179-P419 WeakPolarHBondContact CD-O 3.47Å; K179-P419 PolarHBondContact NZ-O 3.47Å
420	P	56.3	Low	38.2	Very low	44 Å²	44	110.6 Å²	110.6	29%	0.286	64%	0.639	S	S	.	*				-130.9	-169.6	-96.9	39.5	-22.9	0	0	0	122.5	K179 N180 K181 T182	K179-P420 HydrophobicContact CB-CB 4.03Å; N180-P420 WeakPolarHBondContact O-CB 3.39Å; N180-P420 VanDerWaalsContact O-CG 3.3Å; N180-P420 WeakPolarHBondContact O-CG 3.28Å; K181-P420 VanDerWaalsContact CA-CG 3.46Å; T182-P420 VanDerWaalsContact N-CG 3.3Å; T182-P420 WeakPolarHBondContact O-CD 3.04Å; T182-P420 WeakPolarHBondContact O-CG 3.19Å
421	S	39	Very low	37.2	Very low	44 Å²	44	110.4 Å²	110.4	31%	0.308	64%	0.64	S	S	.	*	B	Isolated β-bridge	trans	-114.2	176.6	179.9	-73.2	0	0	0	0	114.9	K21	K21-S421 VanDerWaalsContact NZ-CB 3.32Å; K21-S421 PolarHBondContact NZ-OG 3.49Å
422	P	50	Low	37.1	Very low	53 Å²	53	107 Å²	107	34%	0.344	63%	0.632	S	S	.	*				-156.7	163.9	127.4	41	-23.2	0	0	0	121.2	V25 K181	V25-P422 HydrophobicContact CG2-CB 3.56Å; V25-P422 HydrophobicContact CG2-CG 3.62Å; K181-P422 HydrophobicContact CD-CB 4.26Å; K181-P422 VanDerWaalsContact CE-CB 3.43Å; K181-P422 HydrophobicContact CG-CB 3.95Å; K181-P422 HydrophobicContact CG-CG 4.3Å
423	H	39.3	Very low	37.2	Very low	61 Å²	61	107.6 Å²	107.6	28%	0.282	63%	0.63	S	S	.	*			trans	-15.2	179.9	160	-38.3	-70.8	0	0	0	123	V25 K181	V25-H423 HydrophobicContact CB-CB 4.2Å; V25-H423 HydrophobicContact CG1-CB 3.88Å; V25-H423 HydrophobicContact CG2-CB 3.93Å; V25-H423 WeakPolarHBondContact CG2-O 3.36Å; V25-H423 PolarHBondContact N-O 3.4Å; K181-H423 VanDerWaalsContact CE-CD2 3.48Å; K181-H423 WeakPolarHBondContact CE-CD2 3.48Å; K181-H423 PolarHBondContact NZ-CD2 3.1Å; K181-H423 PolarHBondContact NZ-NE2 3.3Å
424	H	37.9	Very low	37.4	Very low	134 Å²	134	105.3 Å²	105.3	62%	0.62	63%	0.626	S	S	*	*			cis	-169.7	-156	-32.5	-78.6	-38.3	0	0	0	106.2
425	H	36.8	Very low	37.4	Very low	104 Å²	104	106.1 Å²	106.1	48%	0.481	63%	0.632	S	S	.	*			cis	-164	158.3	17.1	-53.5	-110.5	0	0	0	112.4	R26	R26-H425 PolarHBondContact N-NE2 3.15Å; R26-H425 VanDerWaalsContact N-NE2 3.2Å
426	L	35.8	Very low	37.6	Very low	165 Å²	165	106 Å²	106	86%	0.864	64%	0.639	S	S	*	*			trans	42.5	153.9	147	-61.2	172.6	0	0	0	123.4
427	S	31.9	Very low	37.5	Very low	109 Å²	109	102.2 Å²	102.2	76%	0.762	63%	0.628	S	S	*	*			cis	-177.7	143.3	-22.3	53.2	0	0	0	0	112
428	G	29.1	Very low	37.5	Very low	81 Å²	81	102 Å²	102	84%	0.835	63%	0.633	S	S	*	*			trans	179.4	152	171.5	0	0	0	0	0	115.6
429	L	35.3	Very low	37.1	Very low	176 Å²	176	104 Å²	104	92%	0.921	65%	0.649	S	S	*	*			trans	-99.1	176.4	177.7	-70.7	169.7	0	0	0	110.5
430	P	39.1	Very low	36.1	Very low	112 Å²	112	108.4 Å²	108.4	73%	0.727	67%	0.666	S	S	*	*			cis	-142.5	-178.6	10.9	46.2	-28.7	0	0	0	117.7
431	S	25.4	Very low	34.8	Very low	120 Å²	120	109.9 Å²	109.9	84%	0.839	68%	0.682	S	S	*	*			trans	68	173.9	142.3	-148.4	0	0	0	0	122
432	S	33.5	Very low	34.4	Very low	112 Å²	112	115.8 Å²	115.8	78%	0.783	71%	0.71	S	S	*	*			trans	67.5	92.9	168.5	-134.7	0	0	0	0	120.1
433	A	34.3	Very low	33.5	Very low	84 Å²	84	121 Å²	121	69%	0.694	74%	0.735	S	S	*	*			trans	-65.8	-177.4	137	0	0	0	0	0	110
434	P	41	Very low	32.8	Very low	123 Å²	123	122.8 Å²	122.8	80%	0.799	75%	0.754	S	S	*	*			cis	-134.7	169.9	6.8	42.8	-25.9	0	0	0	116.9
435	A	31.9	Very low	32.3	Very low	96 Å²	96	123.5 Å²	123.5	79%	0.793	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-78.7	162.5	159.7	0	0	0	0	0	111.3
436	L	36.6	Very low	31.9	Very low	170 Å²	170	121.7 Å²	121.7	89%	0.89	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-65	144.9	-174.8	-65.2	167.9	0	0	0	113.1
437	P	33.8	Very low	31.9	Very low	85 Å²	85	121.6 Å²	121.6	55%	0.552	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-78	125	-176.7	30.6	-34.4	0	0	0	112.8
438	L	31.9	Very low	31.8	Very low	171 Å²	171	126.2 Å²	126.2	90%	0.895	76%	0.764	S	S	*	*			trans	-106.6	138.9	148.5	-76.3	175.7	0	0	0	108.4
439	S	28.2	Very low	31.8	Very low	67 Å²	67	128 Å²	128	47%	0.469	76%	0.764	S	S	.	*			trans	-68.5	145.5	161.8	-98.6	0	0	0	0	109.8	P593	S439-P593 VanDerWaalsContact CB-CG 3.45Å; S439-P593 WeakPolarHBondContact OG-CD 3.4Å; S439-P593 WeakPolarHBondContact OG-CG 3.13Å
440	I	30.9	Very low	31.5	Very low	165 Å²	165	124.5 Å²	124.5	85%	0.846	75%	0.754	S	S	*	*				-135.8	141.3	102.7	-91.8	144.8	0	0	0	106.8
441	A	30	Very low	31.2	Very low	75 Å²	75	126.5 Å²	126.5	62%	0.62	76%	0.757	S	S	*	*			trans	-80.6	139.6	173.9	0	0	0	0	0	109.6
442	N	29.3	Very low	31.5	Very low	168 Å²	168	131.6 Å²	131.6	90%	0.898	76%	0.758	S	S	*	*			trans	-117.7	125.2	139.3	-104.2	-12.5	0	0	0	106.5
443	L	31.5	Very low	31.4	Very low	164 Å²	164	131.6 Å²	131.6	86%	0.859	76%	0.758	S	S	*	*			trans	-71.4	148.9	169.6	-74.3	168.9	0	0	0	109.1	T445	L443-T445 PolarHBondContact O-N 2.95Å
444	S	25.5	Very low	31.8	Very low	97 Å²	97	133.2 Å²	133.2	68%	0.678	76%	0.762	S	S	*	*			trans	-71.3	125.5	-174	-169.5	0	0	0	0	112.2	S446	S444-S446 PolarHBondContact O-N 3.14Å; S444-S446 PolarHBondContact OG-OG 3.14Å
445	T	26.7	Very low	31.2	Very low	150 Å²	150	131.8 Å²	131.8	92%	0.92	76%	0.761	S	S	*	*			trans	-77.6	96.5	158.1	-59.9	0	0	0	0	109.3	L443	L443-T445 PolarHBondContact O-N 2.95Å
446	S	29	Very low	31.4	Very low	66 Å²	66	135.5 Å²	135.5	46%	0.462	76%	0.761	S	S	.	*			trans	-166.8	135	172.4	52.9	0	0	0	0	108.5	S444	S444-S446 PolarHBondContact O-N 3.14Å; S444-S446 PolarHBondContact OG-OG 3.14Å
447	H	36.1	Very low	31.1	Very low	163 Å²	163	138.7 Å²	138.7	76%	0.755	76%	0.761	S	S	*	*			cis	-148.2	150.3	14.1	-92.8	-56.1	0	0	0	113.5
448	Y	29.5	Very low	30.8	Very low	206 Å²	206	142.6 Å²	142.6	81%	0.808	77%	0.772	S	S	*	*			trans	46.9	111.8	149.8	-78.1	-83	0	0	0	122.6
449	S	28.1	Very low	30.9	Very low	119 Å²	119	140.1 Å²	140.1	83%	0.832	77%	0.768	S	S	*	*				154.5	152.8	119	-72.2	0	0	0	0	111
450	S	29.3	Very low	31.3	Very low	102 Å²	102	140.9 Å²	140.9	71%	0.713	78%	0.779	S	S	*	*			cis	-170.1	168	-27.3	-168.7	0	0	0	0	107.1
451	L	33.4	Very low	31.4	Very low	153 Å²	153	140 Å²	140	80%	0.801	77%	0.773	S	S	*	*			trans	66.4	108.1	165.1	-54.2	-179.9	0	0	0	121.4
452	R	30.6	Very low	31.7	Very low	228 Å²	228	145.1 Å²	145.1	86%	0.86	78%	0.782	S	S	*	*				66.6	105.7	114.7	-164.4	177.5	-164.8	165	4.9	121.4
453	S	32.2	Very low	31.8	Very low	112 Å²	112	140.8 Å²	140.8	78%	0.783	77%	0.769	S	S	*	*			trans	-72.6	160.1	152.7	-38.6	0	0	0	0	112.1
454	P	43.2	Very low	31.8	Very low	117 Å²	117	139.6 Å²	139.6	76%	0.76	77%	0.769	S	S	*	*				-155.9	163.1	104.8	39.6	-21.6	0	0	0	118.8
455	A	28.7	Very low	33.4	Very low	94 Å²	94	141.1 Å²	141.1	78%	0.777	78%	0.776	S	S	*	*			trans	74.6	114.1	143.7	0	0	0	0	0	123.7
456	H	34.7	Very low	33.9	Very low	173 Å²	173	138.4 Å²	138.4	80%	0.801	77%	0.77	S	S	*	*			trans	-13.4	140.9	153.9	-66	-80	0	0	0	121.6
457	R	30.4	Very low	34.1	Very low	238 Å²	238	141.3 Å²	141.3	90%	0.898	78%	0.784	S	S	*	*				-167.5	-173.2	103.1	-100.8	175.3	-169	-145.2	2.4	112.2
458	H	28.8	Very low	33.8	Very low	167 Å²	167	140.9 Å²	140.9	77%	0.773	79%	0.787	S	S	*	*			trans	-101	165.1	-156.1	-53.9	-89.4	0	0	0	116.4
459	S	32.2	Very low	34.7	Very low	118 Å²	118	136.8 Å²	136.8	83%	0.825	79%	0.785	S	S	*	*			trans	-13.5	156.7	163.2	-25.8	0	0	0	0	119.7
460	A	36.9	Very low	36.2	Very low	84 Å²	84	136.4 Å²	136.4	69%	0.694	78%	0.78	S	S	*	*			cis	-175.3	172	29.3	0	0	0	0	0	115.3
461	M	34.3	Very low	36.7	Very low	147 Å²	147	137.5 Å²	137.5	72%	0.724	79%	0.785	S	S	*	*			trans	93.3	141.6	147.8	-48.7	-163.4	-71	0	0	123.9
462	F	36.3	Very low	37.4	Very low	182 Å²	182	136.2 Å²	136.2	80%	0.798	79%	0.786	S	S	*	*			trans	78.1	145.5	152.8	-58.9	-44.6	0	0	0	121.1
463	A	31.4	Very low	38	Very low	76 Å²	76	131.5 Å²	131.5	63%	0.628	78%	0.783	S	S	*	*			cis	-168.2	167.2	-13	0	0	0	0	0	115.9
464	T	30.7	Very low	38.1	Very low	139 Å²	139	133.9 Å²	133.9	85%	0.853	79%	0.786	S	S	*	*			trans	74.2	136.2	151.2	36.3	0	0	0	0	124.3
465	P	60.2	Low	38.4	Very low	129 Å²	129	133.1 Å²	133.1	84%	0.838	78%	0.781	S	S	*	*			trans	-123.3	178.4	174	44.3	-33.8	0	0	0	116
466	A	36.3	Very low	38.7	Very low	94 Å²	94	134.4 Å²	134.4	78%	0.777	78%	0.779	S	S	*	*			trans	-157	139	171.3	0	0	0	0	0	117.9
467	T	33.7	Very low	38.6	Very low	126 Å²	126	133 Å²	133	77%	0.773	78%	0.777	S	S	*	*			trans	70.9	105.7	142.4	-50.2	0	0	0	0	124.9
468	L	28.9	Very low	38.8	Very low	154 Å²	154	125.9 Å²	125.9	81%	0.806	76%	0.764	S	S	*	*				34.6	167.3	123.7	-57.2	175	0	0	0	123.4
469	P	48.2	Very low	39.3	Very low	120 Å²	120	125.2 Å²	125.2	78%	0.779	77%	0.765	S	S	*	*			cis	-130.9	-176.4	-2.5	24	2.1	0	0	0	116.5
470	P	60.5	Low	39.3	Very low	112 Å²	112	125.2 Å²	125.2	73%	0.727	76%	0.76	S	S	*	*			trans	-115.8	175.5	-175.8	42.8	-34.3	0	0	0	116.6
471	P	39.3	Very low	39.2	Very low	125 Å²	125	126.5 Å²	126.5	81%	0.812	76%	0.759	S	S	*	*			trans	-139.8	-157.5	134.4	46.3	-31.9	0	0	0	113.4
472	P	48.1	Very low	40.1	Very low	126 Å²	126	123.7 Å²	123.7	82%	0.818	75%	0.752	S	S	*	*				-129.2	-154.7	-115.1	35.7	-10.2	0	0	0	117.7
473	T	43.7	Very low	40	Very low	129 Å²	129	117.5 Å²	117.5	79%	0.791	74%	0.739	S	S	*	*			trans	-104.1	175.2	-156	53.1	0	0	0	0	117.4
474	L	34.3	Very low	40.1	Very low	162 Å²	162	119.6 Å²	119.6	85%	0.848	74%	0.736	S	S	*	*			trans	175.4	168.3	134	-89	176.6	0	0	0	112.6
475	P	48.6	Very low	41.2	Very low	100 Å²	100	115.8 Å²	115.8	65%	0.649	71%	0.713	S	S	*	*			trans	-145.5	-166.2	-139.4	46.4	-26.8	0	0	0	120.6
476	T	34.6	Very low	39.9	Very low	122 Å²	122	111.9 Å²	111.9	75%	0.748	69%	0.692	S	S	*	*			trans	97	139.8	148.5	47.1	0	0	0	0	125.1
477	N	32.2	Very low	39.7	Very low	142 Å²	142	110.2 Å²	110.2	76%	0.759	68%	0.684	S	S	*	*			trans	98.9	141.4	175	-61.6	-67.3	0	0	0	117.8
478	S	35.6	Very low	39.8	Very low	90 Å²	90	110.9 Å²	110.9	63%	0.629	69%	0.688	S	S	*	*			cis	104.2	149.5	11.3	90.6	0	0	0	0	115.1
479	L	38.5	Very low	40.5	Very low	152 Å²	152	109.7 Å²	109.7	80%	0.796	69%	0.69	S	S	*	*			cis	-153.3	163.9	8.5	-88.9	-172.9	0	0	0	113.4
480	V	32.5	Very low	39.4	Very low	118 Å²	118	114.2 Å²	114.2	72%	0.715	69%	0.693	S	S	*	*			trans	57.8	128.9	142.4	171.4	0	0	0	0	121.7
481	V	34.8	Very low	39.2	Very low	111 Å²	111	113.2 Å²	113.2	67%	0.673	69%	0.686	S	S	*	*			cis	92.7	137.7	5	-172.2	0	0	0	0	116.5
482	P	54	Low	38.9	Very low	89 Å²	89	113.4 Å²	113.4	58%	0.578	68%	0.68	S	S	*	*			cis	-143.9	-167	-25.5	43.7	-23.9	0	0	0	117.4	P1254	P482-P1254 WeakPolarHBondContact CB-O 3.26Å; P482-P1254 WeakPolarHBondContact CG-O 3.25Å
483	G	32.8	Very low	38	Very low	51 Å²	51	114 Å²	114	53%	0.526	68%	0.682	S	S	.	*			trans	139	113.6	145.8	0	0	0	0	0	122.2
484	H	35.5	Very low	37.6	Very low	121 Å²	121	112.1 Å²	112.1	56%	0.56	67%	0.674	S	S	*	*			trans	-172.2	172.9	172.3	-152.1	41.5	0	0	0	111.3	R1255	H484-R1255 VanDerWaalsContact O-CB 3.23Å; H484-R1255 WeakPolarHBondContact O-CB 3.33Å; H484-R1255 WeakPolarHBondContact O-CG 3.15Å
485	P	52.8	Low	38	Very low	58 Å²	58	109.3 Å²	109.3	38%	0.377	66%	0.659	S	S	.	*			cis	-105	-97.5	8.4	21.5	3	0	0	0	121.7	D1256 Y1257 S1258	P485-D1256 VanDerWaalsContact C-OD1 3.28Å; P485-D1256 WeakPolarHBondContact CD-OD1 3.36Å; P485-Y1257 CarbonylContact O-C 3.26Å; P485-Y1257 WeakPolarHBondContact O-CA 3.23Å; P485-Y1257 PolarHBondContact O-N 3.15Å; P485-S1258 PolarHBondContact O-OG 3.27Å
486	A	32.8	Very low	37.6	Very low	48 Å²	48	108.3 Å²	108.3	40%	0.397	65%	0.648	S	S	.	*			cis	-159	-174.2	-13.4	0	0	0	0	0	113.3	Y1257	A486-Y1257 HydrophobicContact CB-CE2 3.88Å; A486-Y1257 WeakPolarHBondContact O-CE1 3.48Å; A486-Y1257 PolarHBondContact O-OH 2.92Å
487	G	33.4	Very low	37.7	Very low	58 Å²	58	106.6 Å²	106.6	60%	0.598	63%	0.633	S	S	*	*			trans	112.2	141.8	152.3	0	0	0	0	0	123.4	Y1257	G487-Y1257 WeakPolarHBondContact CA-OH 3.09Å
488	T	35.1	Very low	37.6	Very low	141 Å²	141	102 Å²	102	87%	0.865	61%	0.612	S	S	*	*			trans	-146.3	168.9	179.3	61	0	0	0	0	115.1
489	P	43.3	Very low	37.5	Very low	129 Å²	129	105.7 Å²	105.7	84%	0.838	62%	0.617	S	S	*	*				-151	-173.9	102.7	40.6	-21.8	0	0	0	117.6
490	Y	25.9	Very low	37.2	Very low	214 Å²	214	104.5 Å²	104.5	84%	0.839	61%	0.612	S	S	*	*			trans	-106.3	-172.6	-178.9	-145	-131.4	0	0	0	110.6
491	P	55.2	Low	37.3	Very low	91 Å²	91	102.9 Å²	102.9	59%	0.591	60%	0.597	S	S	*	*			cis	-148.5	-167.7	19.8	46.1	-23.5	0	0	0	120.2
492	D	32.5	Very low	38.3	Very low	129 Å²	129	102 Å²	102	69%	0.69	59%	0.593	S	S	*	*			trans	70.1	146.8	157.3	-58.4	-22.7	0	0	0	121.7
493	T	30.9	Very low	37.3	Very low	139 Å²	139	105.1 Å²	105.1	85%	0.853	60%	0.603	S	S	*	*			cis	-157.4	161.9	-16.6	23.2	0	0	0	0	111.5
494	S	35.2	Very low	37.3	Very low	90 Å²	90	110.1 Å²	110.1	63%	0.629	62%	0.615	S	S	*	*			trans	-113.2	-176.2	-174.2	63.3	0	0	0	0	115
495	L	41.2	Very low	37.1	Very low	103 Å²	103	113 Å²	113	54%	0.539	62%	0.622	S	S	.	*			cis	-133.9	-140.1	36.4	-64	162.8	0	0	0	112.4	D668	L495-D668 WeakPolarHBondContact CD2-OD1 3.49Å
496	L	41.6	Very low	35.9	Very low	78 Å²	78	113.2 Å²	113.2	41%	0.408	62%	0.624	S	S	.	*			cis	-161.2	156.3	4.7	-157.1	79.3	0	0	0	107.1	F670 R672	L496-F670 VanDerWaalsContact C-C 3.43Å; L496-F670 CarbonylContact C-O 3.55Å; L496-F670 VanDerWaalsContact C-O 3.31Å; L496-F670 WeakPolarHBondContact CA-O 2.93Å; L496-F670 HydrophobicContact CB-CB 4.2Å; L496-F670 HydrophobicContact CD1-CB 3.6Å; L496-F670 HydrophobicContact CD1-CD1 4.48Å; L496-F670 HydrophobicContact CD1-CD2 3.41Å; L496-F670 VanDerWaalsContact CD1-CD2 3.41Å; L496-F670 HydrophobicContact CD1-CE2 4.14Å; L496-F670 HydrophobicContact CD1-CG 3.64Å; L496-F670 HydrophobicContact CG-CB 3.76Å; L496-F670 HydrophobicContact CG-CD1 4.47Å; L496-F670 HydrophobicContact CG-CD2 4.23Å; L496-F670 HydrophobicContact CG-CG 3.97Å; L496-F670 PolarHBondContact N-O 3.37Å; L496-R672 CarbonylContact O-C 3.47Å; L496-R672 WeakPolarHBondContact O-CA 3.19Å
497	I	36.3	Very low	36.1	Very low	86 Å²	86	113.5 Å²	113.5	44%	0.441	62%	0.618	S	S	.	*			cis	-155.3	138.3	32.4	-61.2	164.6	0	0	0	111.2	F670 S671 R672	I497-F670 HydrophobicContact CB-CD1 4.26Å; I497-F670 HydrophobicContact CG2-CD1 4.11Å; I497-S671 VanDerWaalsContact C-N 3.27Å; I497-S671 VanDerWaalsContact N-CA 3.26Å; I497-S671 CarbonylContact O-C 3.53Å; I497-S671 PolarHBondContact O-N 3.25Å; I497-R672 PolarHBondContact O-N 3.28Å
498	S	29.7	Very low	36.5	Very low	45 Å²	45	114.4 Å²	114.4	32%	0.315	61%	0.613	S	S	.	*			cis	-169.8	171.9	2.9	-164.2	0	0	0	0	116.2	F670	S498-F670 VanDerWaalsContact OG-CD1 3.31Å; S498-F670 WeakPolarHBondContact OG-CD1 3.49Å; S498-F670 WeakPolarHBondContact OG-CE1 3.42Å
499	F	34.5	Very low	36.3	Very low	168 Å²	168	111.3 Å²	111.3	74%	0.737	59%	0.589	S	S	*	*			trans	92	133.4	144.2	-82.6	-58.2	0	0	0	127.8
500	N	30.6	Very low	36.4	Very low	127 Å²	127	109.2 Å²	109.2	68%	0.679	58%	0.577	S	S	*	*			trans	52.9	104.3	155.4	-74.9	-45.1	0	0	0	122.1
501	Q	34.3	Very low	36.7	Very low	85 Å²	85	102.7 Å²	102.7	40%	0.397	57%	0.574	S	S	.	*				65.3	142.9	64.8	-63.6	-75.7	97.5	0	0	116	P307	P307-Q501 HydrophobicContact CB-CG 3.35Å
502	P	56.3	Low	35.6	Very low	92 Å²	92	105.7 Å²	105.7	60%	0.597	58%	0.584	S	S	*	*				-144.6	-157.6	-72	32.8	-7.7	0	0	0	114.2
503	I	33.8	Very low	35.6	Very low	155 Å²	155	107.8 Å²	107.8	80%	0.795	59%	0.594	S	S	*	*			trans	103	148.4	154.7	-65.8	158.4	0	0	0	118.1
504	M	31.8	Very low	35.6	Very low	155 Å²	155	108.3 Å²	108.3	76%	0.764	59%	0.59	S	S	*	*			trans	-140.3	-161.6	-167.8	-65.8	-149.1	-52.3	0	0	111.1
505	Y	32.3	Very low	35.4	Very low	181 Å²	181	107.5 Å²	107.5	71%	0.71	60%	0.596	S	S	*	*			trans	97.5	94.4	158.6	-92.6	-108.9	0	0	0	120.5
506	C	27.7	Very low	35	Very low	64 Å²	64	108.7 Å²	108.7	43%	0.432	61%	0.608	S	S	.	*				77.5	142.8	111.7	-63.3	0	0	0	0	123.7	Q653	C506-Q653 HydrophobicContact CB-CG 4.11Å; C506-Q653 PolarHBondContact SG-NE2 2.88Å; C506-Q653 VanDerWaalsContact SG-NE2 3.42Å; C506-Q653 PolarHBondContact SG-OE1 2.73Å
507	Q	36.6	Very low	34.5	Very low	54 Å²	54	112.5 Å²	112.5	25%	0.252	63%	0.628	S	S	.	*			trans	-71.6	148	167	-80.1	-74.8	-91.1	0	0	113.8	H646 K650 Q653	Q507-H646 PolarHBondContact NE2-CE1 3.05Å; Q507-H646 PolarHBondContact OE1-CE1 2.88Å; Q507-H646 VanDerWaalsContact OE1-CE1 3.22Å; Q507-H646 PolarHBondContact OE1-ND1 2.67Å; Q507-K650 HydrophobicContact CB-CB 3.76Å; Q507-K650 HydrophobicContact CB-CG 3.89Å; Q507-K650 HydrophobicContact CG-CB 3.99Å; Q507-K650 HydrophobicContact CG-CG 4.44Å; Q507-Q653 VanDerWaalsContact N-OE1 3.12Å
508	P	42.6	Very low	34.1	Very low	77 Å²	77	113.1 Å²	113.1	50%	0.5	64%	0.639	S	S	.	*			trans	-141.7	125.5	151.3	33.4	-16.5	0	0	0	117.1	K650 M654	P508-K650 WeakPolarHBondContact O-CE 3.4Å; P508-K650 PolarHBondContact O-NZ 3.09Å; P508-M654 HydrophobicContact CB-CE 3.88Å; P508-M654 HydrophobicContact CB-CG 4.05Å; P508-M654 HydrophobicContact CB-SD 3.26Å; P508-M654 WeakPolarHBondContact CB-SD 3.48Å
509	H	30.8	Very low	34.2	Very low	76 Å²	76	120.1 Å²	120.1	35%	0.352	67%	0.667	S	S	.	*			trans	35.5	177	156.8	-75.5	60.3	0	0	0	124.5	K650 M651 M654	H509-K650 PolarHBondContact CE1-O 2.85Å; H509-K650 VanDerWaalsContact N-CD 3.28Å; H509-K650 PolarHBondContact ND1-O 2.79Å; H509-K650 PolarHBondContact O-NZ 3.42Å; H509-M651 HydrophobicContact CB-CE 4.3Å; H509-M651 VanDerWaalsContact CD2-CE 3.41Å; H509-M651 WeakPolarHBondContact CD2-CE 3.42Å; H509-M651 VanDerWaalsContact CE1-CA 3.49Å; H509-M651 WeakPolarHBondContact CE1-CA 3.5Å; H509-M651 WeakPolarHBondContact NE2-CE 3.48Å; H509-M651 PolarHBondContact NE2-SD 3.42Å; H509-M651 VanDerWaalsContact NE2-SD 3.36Å; H509-M654 HydrophobicContact CB-SD 3.99Å; H509-M654 WeakPolarHBondContact ND1-CG 3.5Å; H509-M654 PolarHBondContact ND1-SD 3.46Å
510	S	44.7	Very low	33.9	Very low	85 Å²	85	116.1 Å²	116.1	59%	0.594	67%	0.665	S	S	*	*			trans	-129.7	159.2	177.6	55.4	0	0	0	0	110.2	H647	S510-H647 PolarHBondContact OG-CE1 3.33Å
511	G	32.1	Very low	33.7	Very low	76 Å²	76	115.8 Å²	115.8	78%	0.784	67%	0.668	S	S	*	*			trans	-112.8	158	-177	0	0	0	0	0	114.8
512	I	31.7	Very low	33.5	Very low	154 Å²	154	119.6 Å²	119.6	79%	0.79	69%	0.69	S	S	*	*			trans	-97.3	157.9	178.3	-66.5	159.2	0	0	0	109.6	I514	I512-I514 HydrophobicContact CG2-CG1 4.37Å
513	L	32.7	Very low	32.2	Very low	174 Å²	174	122.9 Å²	122.9	91%	0.911	70%	0.702	S	S	*	*			trans	-122.7	143.6	159.3	-74.6	179.4	0	0	0	112.3
514	I	32	Very low	33	Very low	150 Å²	150	120.5 Å²	120.5	77%	0.769	70%	0.697	S	S	*	*			trans	-129.6	141.3	170.8	-70.2	174.9	0	0	0	106.9	I512	I512-I514 HydrophobicContact CG2-CG1 4.37Å
515	G	31.1	Very low	34.1	Very low	73 Å²	73	118.6 Å²	118.6	75%	0.753	70%	0.696	S	S	*	*			trans	-95.9	158.5	173	0	0	0	0	0	113.1
516	T	32.2	Very low	34.1	Very low	127 Å²	127	115.9 Å²	115.9	78%	0.779	70%	0.7	S	S	*	*			trans	-133.7	158.7	-168.3	54.5	0	0	0	0	112.8
517	L	31.3	Very low	34.1	Very low	159 Å²	159	120.9 Å²	120.9	83%	0.832	72%	0.719	S	S	*	*			trans	-172.4	166.1	133.4	-125.9	70.7	0	0	0	115.4
518	S	28.3	Very low	34.1	Very low	98 Å²	98	123.4 Å²	123.4	69%	0.685	74%	0.743	S	S	*	*			trans	-4	152.4	165	-55.7	0	0	0	0	122.6
519	Q	29.8	Very low	33.7	Very low	192 Å²	192	125.3 Å²	125.3	90%	0.897	76%	0.756	S	S	*	*			cis	101.3	140.3	26.7	-92.9	-151.3	79.3	0	0	117
520	A	28.3	Very low	33.6	Very low	84 Å²	84	128.7 Å²	128.7	69%	0.694	77%	0.771	S	S	*	*			trans	98.7	104.8	158.4	0	0	0	0	0	122.7
521	T	27.9	Very low	32.8	Very low	121 Å²	121	128.4 Å²	128.4	74%	0.742	77%	0.766	S	S	*	*				74.3	112.3	112.8	-51	0	0	0	0	124.6
522	L	30.4	Very low	32.9	Very low	165 Å²	165	132.6 Å²	132.6	86%	0.864	77%	0.765	S	S	*	*			trans	71.7	163.1	146.1	-68.2	171.8	0	0	0	123.6
523	L	27.2	Very low	33.1	Very low	160 Å²	160	131.8 Å²	131.8	84%	0.838	76%	0.762	S	S	*	*			trans	-160.1	171.1	-172.7	-87.5	174.9	0	0	0	108.1
524	P	52.4	Low	33.1	Very low	106 Å²	106	128.4 Å²	128.4	69%	0.688	75%	0.751	S	S	*	*			cis	-130.6	-141.2	-26.8	38.8	-19.2	0	0	0	109.5
525	P	53.1	Low	32.8	Very low	114 Å²	114	128.7 Å²	128.7	74%	0.74	75%	0.748	S	S	*	*				-103.3	-160.7	-60.9	28.7	-7.4	0	0	0	109.8
526	P	33.3	Very low	32.5	Very low	124 Å²	124	128.6 Å²	128.6	81%	0.805	74%	0.736	S	S	*	*			cis	-121.8	-170.6	-7	43.2	-28.1	0	0	0	113.8
527	M	27	Very low	32.4	Very low	169 Å²	169	130.2 Å²	130.2	83%	0.833	74%	0.737	S	S	*	*			trans	-108.1	125.3	171.9	-75.3	-178.1	64	0	0	112.6
528	S	37.6	Very low	32.5	Very low	108 Å²	108	126.7 Å²	126.7	76%	0.755	73%	0.725	S	S	*	*			trans	68.1	165.7	144.2	-56	0	0	0	0	117.9
529	P	33.8	Very low	32.4	Very low	117 Å²	117	131 Å²	131	76%	0.76	73%	0.727	S	S	*	*			cis	-128.2	159.8	3.1	40.2	-25.3	0	0	0	116.4
530	H	28.1	Very low	32.7	Very low	147 Å²	147	132.1 Å²	132.1	68%	0.681	72%	0.723	S	S	*	*				-133.5	154.4	128.8	-164.1	-87.3	0	0	0	108.9
531	V	27.6	Very low	32.6	Very low	79 Å²	79	133.3 Å²	133.3	48%	0.479	72%	0.718	S	S	.	*			trans	-80.7	174.1	-176.9	-174.7	0	0	0	0	110	N533	V531-N533 PolarHBondContact O-N 3.26Å
532	E	35.4	Very low	32.9	Very low	163 Å²	163	137.9 Å²	137.9	76%	0.762	72%	0.721	S	S	*	*	S	Bend	trans	-37.2	131.9	149.7	-59	134.4	108	0	0	109.5	P534	E532-P534 CarbonylContact O-C 3.32Å
533	N	36	Very low	33.1	Very low	137 Å²	137	136.4 Å²	136.4	73%	0.733	71%	0.71	S	S	*	*	S	Bend	trans	-91.5	112.3	168.4	-142.2	13.6	0	0	0	106.3	V531	V531-N533 PolarHBondContact O-N 3.26Å
534	P	31.6	Very low	33.1	Very low	104 Å²	104	133.2 Å²	133.2	68%	0.675	70%	0.7	S	S	*	*	S	Bend	cis	-108.2	151.7	27.8	39	-33	0	0	0	115.9	E532	E532-P534 CarbonylContact O-C 3.32Å
535	H	26	Very low	32	Very low	156 Å²	156	135 Å²	135	72%	0.722	70%	0.699	S	S	*	*			trans	33.6	98.8	144.2	-85.1	-106.7	0	0	0	118.8
536	S	25.9	Very low	31	Very low	71 Å²	71	139.6 Å²	139.6	50%	0.497	71%	0.708	S	S	.	*				64.3	141.6	126.8	72.8	0	0	0	0	120.2
537	M	30.4	Very low	30.9	Very low	160 Å²	160	137.8 Å²	137.8	79%	0.788	69%	0.691	S	S	*	*			trans	69.8	147	170.4	-49	-59.8	-160.3	0	0	113.9
538	S	32	Very low	31	Very low	85 Å²	85	139.6 Å²	139.6	59%	0.594	70%	0.695	S	S	*	*			cis	-147.1	144.9	3.6	-137.6	0	0	0	0	112.5
539	W	27.1	Very low	30.8	Very low	190 Å²	190	143.1 Å²	143.1	72%	0.72	69%	0.693	S	S	*	*				1.9	123.6	124.7	-51.2	80.6	0	0	0	115.5
540	R	36.1	Very low	30.7	Very low	214 Å²	214	142 Å²	142	81%	0.808	68%	0.684	S	S	*	*				-149.7	126.2	104.8	-66.5	-146.7	-160.5	-61.6	0.5	107
541	N	27	Very low	31.3	Very low	110 Å²	110	141.4 Å²	141.4	59%	0.588	69%	0.693	S	S	*	*				50.6	96.7	80.5	-68.3	-19.7	0	0	0	112.7
542	R	33.7	Very low	31.5	Very low	216 Å²	216	146.1 Å²	146.1	82%	0.815	71%	0.707	S	S	*	*				-148.8	132.6	113.8	-99	145.9	-158.4	-66.2	-5.7	108.1
543	E	34	Very low	31.6	Very low	135 Å²	135	146 Å²	146	63%	0.631	71%	0.711	S	S	*	*				51.7	137.9	90.5	-84.8	75.2	-117.7	0	0	113.2
544	C	28.1	Very low	31.5	Very low	93 Å²	93	146.5 Å²	146.5	63%	0.628	71%	0.713	S	S	*	*			cis	-167.3	158.6	-20.5	-136.6	0	0	0	0	107.7
545	Q	28.8	Very low	31.4	Very low	142 Å²	142	148.2 Å²	148.2	66%	0.664	72%	0.717	S	S	*	*			trans	61	141.4	162.9	-58.9	171.5	-50.3	0	0	116.9	D547	Q545-D547 WeakPolarHBondContact CG-OD2 3.21Å; Q545-D547 PolarHBondContact NE2-OD2 3.23Å
546	F	30.7	Very low	32.4	Very low	211 Å²	211	145 Å²	145	93%	0.925	71%	0.71	S	S	*	*				-138.7	117	96.5	-113.3	-77.3	0	0	0	107.9
547	D	32.6	Very low	32.6	Very low	86 Å²	86	151 Å²	151	46%	0.46	73%	0.727	S	S	.	*			trans	-63.5	137	-174.7	-87.4	-75.6	0	0	0	111.6	Q545 Y549	Q545-D547 WeakPolarHBondContact CG-OD2 3.21Å; Q545-D547 PolarHBondContact NE2-OD2 3.23Å; D547-Y549 HydrophobicContact CB-CD2 4.06Å; D547-Y549 PolarHBondContact O-N 3.12Å; D547-Y549 WeakPolarHBondContact OD1-CD2 3.42Å
548	K	29	Very low	32.8	Very low	208 Å²	208	149.7 Å²	149.7	90%	0.904	72%	0.722	S	S	*	*			trans	-92.1	49.6	172.5	-154.6	-177.7	-178.3	-177.3	0	111.4
549	Y	33.7	Very low	33.1	Very low	182 Å²	182	154.9 Å²	154.9	71%	0.714	73%	0.729	S	S	*	*			trans	-135.6	141.2	175	-53.8	-73.6	0	0	0	108.5	D547	D547-Y549 HydrophobicContact CB-CD2 4.06Å; D547-Y549 PolarHBondContact O-N 3.12Å; D547-Y549 WeakPolarHBondContact OD1-CD2 3.42Å
550	T	31.5	Very low	33.4	Very low	94 Å²	94	153.8 Å²	153.8	58%	0.577	73%	0.731	S	S	*	*			cis	-158.1	149.3	-13.4	11.4	0	0	0	0	107.1	K552	T550-K552 PolarHBondContact O-N 3.1Å
551	P	39.4	Very low	33	Very low	134 Å²	134	148.7 Å²	148.7	87%	0.87	73%	0.728	S	S	*	*			trans	-73.7	97.8	166.6	31	-31.7	0	0	0	109
552	K	31.9	Very low	33.2	Very low	178 Å²	178	149.2 Å²	149.2	77%	0.774	73%	0.731	S	S	*	*			trans	-136.3	134.1	171.8	-76.4	-167.9	176.1	-175.9	0	111.9	T550	T550-K552 PolarHBondContact O-N 3.1Å
553	L	38.6	Very low	33.4	Very low	161 Å²	161	149.3 Å²	149.3	84%	0.843	74%	0.738	S	S	*	*			trans	-51.2	157.9	154.7	-56.5	129.4	0	0	0	109.1
554	D	34.2	Very low	33.5	Very low	147 Å²	147	150.9 Å²	150.9	79%	0.786	74%	0.743	S	S	*	*			cis	-154.8	177.3	33.6	-154.3	-5.8	0	0	0	113.2
555	N	29.6	Very low	34.5	Very low	139 Å²	139	151.5 Å²	151.5	74%	0.743	75%	0.746	S	S	*	*			trans	-75.1	-169.7	166.6	-132.4	4.4	0	0	0	110.3
556	P	45.8	Very low	34.4	Very low	88 Å²	88	148.8 Å²	148.8	57%	0.571	74%	0.743	S	S	*	*			cis	-125.7	-170.3	-44.6	35.4	-18.6	0	0	0	112.4
557	F	30.5	Very low	34.4	Very low	197 Å²	197	149.1 Å²	149.1	86%	0.864	74%	0.739	S	S	*	*			trans	29.8	121.2	152.2	-63.9	-62.9	0	0	0	121.2
558	I	35.5	Very low	35	Very low	133 Å²	133	150.5 Å²	150.5	68%	0.682	75%	0.753	S	S	*	*				-169.5	123.6	116.6	-106.1	162.2	0	0	0	113.3
559	R	36.8	Very low	36.1	Very low	195 Å²	195	146.1 Å²	146.1	74%	0.736	75%	0.746	S	S	*	*			trans	51.2	154.8	157	-56.9	-177.6	-71	-125.1	-1.8	118.7
560	H	34.6	Very low	36.3	Very low	167 Å²	167	143.7 Å²	143.7	77%	0.773	75%	0.75	S	S	*	*			cis	-115.5	-178.7	2.7	-73	-104.9	0	0	0	109.5
561	S	27.5	Very low	36.5	Very low	107 Å²	107	147.2 Å²	147.2	75%	0.748	76%	0.762	S	S	*	*			cis	-149.3	-175.3	9.6	-155.1	0	0	0	0	111.8
562	N	30.3	Very low	36.7	Very low	120 Å²	120	146.6 Å²	146.6	64%	0.642	76%	0.758	S	S	*	*			trans	-100.5	144.2	178.8	-62.1	-21.1	0	0	0	112.5	F564	N562-F564 HydrophobicContact CB-CD2 4.25Å; N562-F564 HydrophobicContact CB-CE2 4.31Å
563	F	37.9	Very low	36.9	Very low	218 Å²	218	141.5 Å²	141.5	96%	0.956	76%	0.756	S	S	*	*				-154	136.2	120.5	-103.9	-74.8	0	0	0	109
564	F	36.6	Very low	36.7	Very low	168 Å²	168	142.2 Å²	142.2	74%	0.737	76%	0.757	S	S	*	*			trans	-115.1	178.2	-169.4	-83.3	-106.2	0	0	0	109.8	N562	N562-F564 HydrophobicContact CB-CD2 4.25Å; N562-F564 HydrophobicContact CB-CE2 4.31Å
565	P	48.5	Very low	37.5	Very low	107 Å²	107	140.7 Å²	140.7	70%	0.695	76%	0.755	S	S	*	*				-140	-175.1	-51.7	40.7	-23.7	0	0	0	113
566	S	27.3	Very low	38.2	Very low	85 Å²	85	139.6 Å²	139.6	59%	0.594	76%	0.755	S	S	*	*				155.1	152.5	103.9	-151.2	0	0	0	0	116.6
567	Y	31.1	Very low	37.5	Very low	217 Å²	217	143 Å²	143	85%	0.851	77%	0.768	S	S	*	*			trans	73.5	142	165.9	-64.4	-66.7	0	0	0	121.2
568	P	44.4	Very low	38	Very low	115 Å²	115	139.6 Å²	139.6	75%	0.747	76%	0.758	S	S	*	*			trans	-114.9	-165.5	-167.5	49.3	-36.4	0	0	0	112.3
569	P	52.1	Low	38.3	Very low	117 Å²	117	139.3 Å²	139.3	76%	0.76	77%	0.765	S	S	*	*			trans	-89.9	169.4	-150.9	37.9	-39.8	0	0	0	116.5
570	T	37.4	Very low	38.2	Very low	130 Å²	130	138 Å²	138	80%	0.798	77%	0.767	S	S	*	*			trans	-148.5	110.5	165.1	-68.4	0	0	0	0	113.1
571	M	36.8	Very low	38.2	Very low	169 Å²	169	135.9 Å²	135.9	83%	0.833	77%	0.771	S	S	*	*			trans	54.9	147.6	146.5	-61	-60.4	-78.3	0	0	123.3
572	P	42.6	Very low	38.7	Very low	120 Å²	120	134.2 Å²	134.2	78%	0.779	77%	0.77	S	S	*	*			trans	-94.8	145.9	175.2	37.1	-33.7	0	0	0	113.9
573	G	36.9	Very low	39.7	Very low	71 Å²	71	133.7 Å²	133.7	73%	0.732	77%	0.773	S	S	*	*			trans	159.8	149.8	166.3	0	0	0	0	0	114.3
574	M	34.3	Very low	39.4	Very low	176 Å²	176	132.9 Å²	132.9	87%	0.867	77%	0.77	S	S	*	*			trans	66.9	119.8	171.2	-57.9	-55.1	-65.7	0	0	119.3
575	P	50.1	Low	39.1	Very low	115 Å²	115	130.3 Å²	130.3	75%	0.747	77%	0.773	S	S	*	*			trans	-107	146	162.4	37.4	-29.4	0	0	0	113.4
576	P	44.3	Very low	38.5	Very low	116 Å²	116	129.6 Å²	129.6	75%	0.753	77%	0.771	S	S	*	*			trans	-126.2	120.5	150.5	30.8	-16.1	0	0	0	110.8
577	L	32.8	Very low	39.2	Very low	159 Å²	159	133.7 Å²	133.7	83%	0.832	79%	0.785	S	S	*	*				69.2	93.7	82.3	-68.9	173.5	0	0	0	114.9
578	L	39.3	Very low	39.5	Very low	126 Å²	126	133.1 Å²	133.1	66%	0.66	79%	0.79	S	S	*	*			trans	17.8	139.3	137.1	-72.9	171.5	0	0	0	119.5
579	P	42.3	Very low	39.1	Very low	127 Å²	127	131 Å²	131	83%	0.825	79%	0.789	S	S	*	*				-133.1	166.5	84	38.8	-29.7	0	0	0	115.7
580	H	34.1	Very low	38.4	Very low	168 Å²	168	130 Å²	130	78%	0.778	79%	0.79	S	S	*	*			trans	-87.4	138.5	176.6	-64.8	-83.5	0	0	0	112.5
581	S	35	Very low	38.4	Very low	123 Å²	123	132.9 Å²	132.9	86%	0.86	79%	0.792	S	S	*	*			trans	-137.4	111.5	157.4	60.7	0	0	0	0	110.1
582	G	37.6	Very low	38.5	Very low	71 Å²	71	131.1 Å²	131.1	73%	0.732	78%	0.782	S	S	*	*			trans	-122.2	-165.7	158.9	0	0	0	0	0	109.1
583	P	52.5	Low	38.4	Very low	109 Å²	109	128.8 Å²	128.8	71%	0.708	77%	0.767	S	S	*	*			cis	-122.9	168.9	-11.2	38.9	-26	0	0	0	112.5
584	F	31	Very low	38.3	Very low	202 Å²	202	133.3 Å²	133.3	89%	0.886	77%	0.766	S	S	*	*				165	161.1	129.2	-102.9	-76.3	0	0	0	112.7
585	S	31.1	Very low	38.2	Very low	113 Å²	113	129.8 Å²	129.8	79%	0.79	77%	0.765	S	S	*	*			trans	67.8	136.1	171.8	-116.5	0	0	0	0	117.6
586	S	34.5	Very low	37.6	Very low	93 Å²	93	129.5 Å²	129.5	65%	0.65	77%	0.766	S	S	*	*			cis	-165.6	142.5	-20	45.8	0	0	0	0	110.5
587	L	42.1	Very low	37	Very low	170 Å²	170	131.5 Å²	131.5	89%	0.89	77%	0.77	S	S	*	*			trans	55.2	70.9	155	-62.3	171.8	0	0	0	118.3
588	Q	38.7	Very low	37.5	Very low	206 Å²	206	129.1 Å²	129.1	96%	0.963	76%	0.764	S	S	*	*			trans	-149.4	112.8	148.5	-111.9	169.6	22.7	0	0	112
589	G	35.8	Very low	37.4	Very low	70 Å²	70	130.5 Å²	130.5	72%	0.722	77%	0.771	S	S	*	*			trans	-178.2	116.8	177.8	0	0	0	0	0	108.3
590	A	37.4	Very low	37.1	Very low	96 Å²	96	132.3 Å²	132.3	79%	0.793	77%	0.774	S	S	*	*			cis	74.1	105.8	24.4	0	0	0	0	0	114.5
591	F	37.6	Very low	37.4	Very low	191 Å²	191	130 Å²	130	84%	0.838	77%	0.771	S	S	*	*			trans	-106.7	91.7	168.4	-91.5	-77.3	0	0	0	110.9
592	Q	38.5	Very low	37.3	Very low	132 Å²	132	128.8 Å²	128.8	62%	0.617	77%	0.768	S	S	*	*			trans	-85	138.3	151.1	-65.1	178.8	-35.6	0	0	108.5	K594	Q592-K594 PolarHBondContact O-N 2.97Å
593	P	41.3	Very low	37	Very low	70 Å²	70	130 Å²	130	46%	0.455	77%	0.771	S	S	.	*			trans	-80.6	96.4	155.4	32.1	-27.3	0	0	0	108.6	S439	S439-P593 VanDerWaalsContact CB-CG 3.45Å; S439-P593 WeakPolarHBondContact OG-CD 3.4Å; S439-P593 WeakPolarHBondContact OG-CG 3.13Å
594	K	33.1	Very low	36.1	Very low	166 Å²	166	136.4 Å²	136.4	72%	0.722	78%	0.781	S	S	*	*			trans	-73.5	149.9	165.4	-77.8	-172.2	169.2	77.4	0	109.9	Q592	Q592-K594 PolarHBondContact O-N 2.97Å
595	A	33.5	Very low	36.3	Very low	102 Å²	102	133.2 Å²	133.2	84%	0.843	78%	0.781	S	S	*	*			trans	-67.6	137.6	179	0	0	0	0	0	111.8
596	S	37.7	Very low	36.4	Very low	110 Å²	110	131.2 Å²	131.2	77%	0.769	78%	0.778	S	S	*	*			trans	-90.1	107.5	174.1	57.4	0	0	0	0	111
597	N	31.8	Very low	36.2	Very low	157 Å²	157	131.8 Å²	131.8	84%	0.84	79%	0.788	S	S	*	*			trans	-70.3	136.3	154.5	-78.2	-15.8	0	0	0	108.5
598	P	42.7	Very low	35.7	Very low	110 Å²	110	130.4 Å²	130.4	71%	0.714	79%	0.787	S	S	*	*			trans	-81.6	150.4	171.9	33.7	-33.3	0	0	0	111.1
599	I	36.3	Very low	35.5	Very low	155 Å²	155	125.2 Å²	125.2	80%	0.795	77%	0.771	S	S	*	*			trans	71.4	109.2	173.9	-58.3	174.7	0	0	0	114.7	V601	I599-V601 HydrophobicContact CG2-CG2 3.82Å
600	D	36.3	Very low	35.6	Very low	165 Å²	165	130.9 Å²	130.9	88%	0.882	78%	0.778	S	S	*	*			trans	-127.7	151.2	134.9	-151.4	-18.3	0	0	0	107.2
601	V	41.6	Very low	35.4	Very low	120 Å²	120	131 Å²	131	73%	0.727	77%	0.77	S	S	*	*			trans	-123.2	123.7	-169.6	176	0	0	0	0	111.5	I599	I599-V601 HydrophobicContact CG2-CG2 3.82Å
602	A	31.6	Very low	35.3	Very low	97 Å²	97	129.5 Å²	129.5	80%	0.802	77%	0.769	S	S	*	*			trans	-130.3	104.8	174.3	0	0	0	0	0	112.7
603	A	32.7	Very low	35.1	Very low	95 Å²	95	129.7 Å²	129.7	79%	0.785	77%	0.774	S	S	*	*			trans	38.5	101.1	150	0	0	0	0	0	120.3
604	R	32	Very low	34.7	Very low	244 Å²	244	134.1 Å²	134.1	92%	0.921	79%	0.788	S	S	*	*				-112.8	135.5	126.5	-98	-174	155.6	-147.5	-6.3	108.3
605	P	36.8	Very low	34.7	Very low	135 Å²	135	134.8 Å²	134.8	88%	0.877	79%	0.791	S	S	*	*			trans	-85.9	138.3	-175.8	32.7	-34	0	0	0	112.7
606	G	32	Very low	34.3	Very low	72 Å²	72	134.8 Å²	134.8	74%	0.742	78%	0.777	S	S	*	*			trans	143.1	147.2	168.3	0	0	0	0	0	114.7
607	A	31.1	Very low	34.9	Very low	104 Å²	104	135 Å²	135	86%	0.86	78%	0.776	S	S	*	*			trans	65.8	86.9	170.8	0	0	0	0	0	118.7
608	V	30.7	Very low	35.1	Very low	141 Å²	141	136 Å²	136	86%	0.855	77%	0.768	S	S	*	*			trans	-7.2	139.1	146.5	-175.4	0	0	0	0	118.2
609	P	36.1	Very low	34.9	Very low	97 Å²	97	139.1 Å²	139.1	63%	0.63	78%	0.775	S	S	*	*			trans	-94	163.5	-179.1	38.2	-37	0	0	0	115.5
610	H	36.2	Very low	34.9	Very low	189 Å²	189	137.4 Å²	137.4	88%	0.875	78%	0.777	S	S	*	*			trans	-113.2	124.3	149.8	-70.1	-60.6	0	0	0	108.4
611	T	33.4	Very low	35	Very low	100 Å²	100	132.5 Å²	132.5	61%	0.613	75%	0.751	S	S	*	*			cis	85.7	71.8	31.8	78.2	0	0	0	0	116.2
612	L	36.4	Very low	35.2	Very low	158 Å²	158	131.5 Å²	131.5	83%	0.827	75%	0.746	S	S	*	*				-158.9	117.5	129.4	-133.4	69	0	0	0	113.6
613	L	34.5	Very low	35.6	Very low	137 Å²	137	129.4 Å²	129.4	72%	0.717	72%	0.719	S	S	*	*			trans	18.5	141.5	134.7	-57.4	169.4	0	0	0	119.9
614	Q	33	Very low	36.2	Very low	163 Å²	163	135.3 Å²	135.3	76%	0.762	72%	0.721	S	S	*	*			cis	-164.4	134.4	-8.2	-136.3	176.2	18.3	0	0	112.5
615	K	31.4	Very low	36.8	Very low	179 Å²	179	129.4 Å²	129.4	78%	0.778	71%	0.712	S	S	*	*			trans	42.1	114.9	136.2	-171.9	177.9	-176.9	177.1	0	121.6
616	D	26.4	Very low	37	Very low	102 Å²	102	127.6 Å²	127.6	55%	0.545	70%	0.703	S	S	.	*				-156	114.5	109.1	-157.1	-15.1	0	0	0	111.7	R618	D616-R618 PolarHBondContact O-N 3.46Å; D616-R618 IonicContact OD1-CZ 3.2Å; D616-R618 IonicContact OD1-NE 2.72Å; D616-R618 PolarHBondContact OD1-NE 3.49Å; D616-R618 IonicContact OD1-NH2 3.08Å; D616-R618 PolarHBondContact OD1-NH2 2.96Å; D616-R618 IonicContact OD2-CZ 2.78Å; D616-R618 IonicContact OD2-NE 3.56Å; D616-R618 PolarHBondContact OD2-NE 3.11Å; D616-R618 IonicContact OD2-NH2 3.83Å; D616-R618 PolarHBondContact OD2-NH2 3.44Å
617	P	50.6	Low	37.7	Very low	115 Å²	115	130.8 Å²	130.8	75%	0.747	71%	0.708	S	S	*	*			trans	-94	77.2	-176.6	36.2	-34	0	0	0	112.3
618	R	35.7	Very low	38.6	Very low	179 Å²	179	136.7 Å²	136.7	68%	0.675	71%	0.708	S	S	*	*			trans	-135.4	145.4	175.8	-70.3	-178.4	-98.9	-165.3	2.4	111.7	D616	D616-R618 PolarHBondContact O-N 3.46Å; D616-R618 IonicContact OD1-CZ 3.2Å; D616-R618 IonicContact OD1-NE 2.72Å; D616-R618 PolarHBondContact OD1-NE 3.49Å; D616-R618 IonicContact OD1-NH2 3.08Å; D616-R618 PolarHBondContact OD1-NH2 2.96Å; D616-R618 IonicContact OD2-CZ 2.78Å; D616-R618 IonicContact OD2-NE 3.56Å; D616-R618 PolarHBondContact OD2-NE 3.11Å; D616-R618 IonicContact OD2-NH2 3.83Å; D616-R618 PolarHBondContact OD2-NH2 3.44Å
619	M	37.9	Very low	39.6	Very low	175 Å²	175	139.2 Å²	139.2	86%	0.862	71%	0.707	S	S	*	*			trans	57.8	75.5	178.2	83.7	-143.3	77.3	0	0	118.1	D621	M619-D621 PolarHBondContact O-N 3.17Å
620	S	35.9	Very low	40.7	Very low	119 Å²	119	140.2 Å²	140.2	83%	0.832	71%	0.714	S	S	*	*			trans	-73.8	106.8	156	54.9	0	0	0	0	110.4	P622	S620-P622 WeakPolarHBondContact O-CD 3.47Å
621	D	38.2	Very low	42.4	Very low	62 Å²	62	133.8 Å²	133.8	33%	0.332	70%	0.699	S	S	.	*			trans	-60.4	119.8	174.4	167.6	21.4	0	0	0	111.8	F101 M619 F623	F101-D621 WeakPolarHBondContact CZ-OD2 3.39Å; M619-D621 PolarHBondContact O-N 3.17Å; D621-F623 PolarHBondContact O-N 3.37Å; D621-F623 WeakPolarHBondContact OD1-CB 3.47Å; D621-F623 WeakPolarHBondContact OD1-CD2 3.42Å; D621-F623 PolarHBondContact OD1-N 2.84Å
622	P	46.8	Very low	44.3	Very low	98 Å²	98	139 Å²	139	64%	0.636	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-18.7	179.4	-20.9	33.1	0	0	0	114.7	S620	S620-P622 WeakPolarHBondContact O-CD 3.47Å
623	F	40.9	Very low	46.7	Very low	53 Å²	53	139.8 Å²	139.8	23%	0.232	71%	0.705	C	S	.	*	T	Hydrogen-bonded Turn	trans	-91.7	-4.8	-163.9	-49.9	-51.9	0	0	0	114.2	A97 I98 F101 D621 T625	A97-F623 WeakPolarHBondContact O-CE1 3.17Å; I98-F623 HydrophobicContact CB-CD1 4.05Å; I98-F623 HydrophobicContact CB-CE1 3.94Å; I98-F623 HydrophobicContact CB-CZ 4.48Å; I98-F623 HydrophobicContact CD1-CD1 4.07Å; I98-F623 HydrophobicContact CG1-CD1 3.72Å; I98-F623 HydrophobicContact CG1-CE1 3.72Å; I98-F623 HydrophobicContact CG2-CB 4.49Å; I98-F623 HydrophobicContact CG2-CD1 3.64Å; I98-F623 HydrophobicContact CG2-CD2 4.25Å; I98-F623 HydrophobicContact CG2-CE1 3.92Å; I98-F623 HydrophobicContact CG2-CE2 4.47Å; I98-F623 HydrophobicContact CG2-CG 3.83Å; I98-F623 HydrophobicContact CG2-CZ 4.32Å; F101-F623 HydrophobicContact CE2-CB 4.23Å; D621-F623 PolarHBondContact O-N 3.37Å; D621-F623 WeakPolarHBondContact OD1-CB 3.47Å; D621-F623 WeakPolarHBondContact OD1-CD2 3.42Å; D621-F623 PolarHBondContact OD1-N 2.84Å; F623-T625 PolarHBondContact O-N 3.19Å
624	R	44.5	Very low	49.1	Very low	219 Å²	219	135.9 Å²	135.9	83%	0.826	69%	0.689	S	S	*	*			trans	-78.2	65	162.9	-74.2	-168.1	173.4	-103.6	-0.1	111.9	S626	R624-S626 PolarHBondContact O-N 3.37Å
625	T	44.7	Very low	51.6	Low	120 Å²	120	132 Å²	132	74%	0.736	68%	0.684	S	S	*	*			trans	-55.7	128	155	57.5	0	0	0	0	108.2	F623 V627	F623-T625 PolarHBondContact O-N 3.19Å; T625-V627 PolarHBondContact O-N 2.8Å
626	S	41.7	Very low	54.6	Low	98 Å²	98	127.4 Å²	127.4	69%	0.685	67%	0.671	S	S	*	*			trans	-60.5	137	179.9	52.4	0	0	0	0	109.4	R624 R628	R624-S626 PolarHBondContact O-N 3.37Å; S626-R628 VanDerWaalsContact C-N 3.31Å; S626-R628 PolarHBondContact O-N 3.02Å
627	V	44.9	Very low	57.8	Low	138 Å²	138	127.2 Å²	127.2	84%	0.836	67%	0.667	S	S	*	*			trans	-62.7	92.9	-175.9	179.8	0	0	0	0	109.1	T625 K629	T625-V627 PolarHBondContact O-N 2.8Å; V627-K629 PolarHBondContact O-N 2.81Å
628	R	51.6	Low	59.9	Low	228 Å²	228	125.8 Å²	125.8	86%	0.86	66%	0.655	S	S	*	*			trans	-60.3	121.5	173.6	-67.8	-173.3	178.9	-172.8	0.6	106.6	S626	S626-R628 VanDerWaalsContact C-N 3.31Å; S626-R628 PolarHBondContact O-N 3.02Å
629	K	51.7	Low	62.5	Low	194 Å²	194	122.6 Å²	122.6	84%	0.843	65%	0.648	S	S	*	*			trans	-44.6	128.7	-174.9	-63.6	174.4	-178.9	175.7	0	109.2	V627 G631	V627-K629 PolarHBondContact O-N 2.81Å; K629-G631 PolarHBondContact O-N 2.79Å; K629-G631 VanDerWaalsContact O-N 3.1Å
630	P	58.7	Low	65.3	Low	118 Å²	118	118 Å²	118	77%	0.766	63%	0.626	S	S	*	*			trans	-54.7	123.1	-177.2	21.9	-32.8	0	0	0	109	K632	P630-K632 PolarHBondContact O-N 2.76Å
631	G	71.4	Confident	68.2	Low	54 Å²	54	114.3 Å²	114.3	56%	0.557	60%	0.603	S	S	*	*			trans	-55.9	136.9	-173.1	0	0	0	0	0	110.9	K629 W633	K629-G631 PolarHBondContact O-N 2.79Å; K629-G631 VanDerWaalsContact O-N 3.1Å; G631-W633 PolarHBondContact O-N 3.05Å
632	K	72.7	Confident	70.9	Confident	209 Å²	209	118.7 Å²	118.7	91%	0.909	62%	0.615	S	S	*	*			trans	-65.8	103.2	176.3	-69.6	-174.7	178.2	-177.2	0	108.8	P630 C634	P630-K632 PolarHBondContact O-N 2.76Å; K632-C634 PolarHBondContact O-N 3.22Å
633	W	87.4	Confident	73.2	Confident	176 Å²	176	118.8 Å²	118.8	67%	0.667	61%	0.607	S	S	*	*			trans	-64.9	113.1	174.2	-68.5	77.2	0	0	0	108.8	G631 H637 V638 A641	G631-W633 PolarHBondContact O-N 3.05Å; W633-H637 HydrophobicContact CD2-CB 4.46Å; W633-H637 HydrophobicContact CE3-CB 3.56Å; W633-H637 HydrophobicContact CZ3-CB 4.08Å; W633-V638 HydrophobicContact CB-CG2 4.08Å; W633-A641 HydrophobicContact CZ3-CB 4.32Å
634	C	85.8	Confident	75.9	Confident	55 Å²	55	120.4 Å²	120.4	37%	0.372	62%	0.617	S	S	.	*			trans	-74.2	162.3	169.9	71.1	0	0	0	0	109.9	K632 V636 H637 V638	K632-C634 PolarHBondContact O-N 3.22Å; C634-V636 PolarHBondContact O-N 3.06Å; C634-V636 VanDerWaalsContact O-N 3.13Å; C634-H637 PolarHBondContact O-N 3.36Å; C634-H637 PolarHBondContact SG-CD2 2.85Å; C634-H637 PolarHBondContact SG-N 3.35Å; C634-V638 PolarHBondContact O-N 3.47Å
635	A	85.3	Confident	78.3	Confident	81 Å²	81	116.4 Å²	116.4	67%	0.669	60%	0.603	S	S	*	*	H	α-helix	trans	-54.4	-35.3	180	0	0	0	0	0	112.8	V638 Q639	A635-V638 PolarHBondContact O-N 2.87Å; A635-Q639 WeakPolarHBondContact O-CB 3.26Å; A635-Q639 PolarHBondContact O-N 3.46Å
636	V	92.9	Very high	80.7	Confident	83 Å²	83	114 Å²	114	50%	0.503	58%	0.584	S	S	.	*	H	α-helix	trans	-64.7	-41.8	176.7	-178.1	0	0	0	0	111.8	C634 V638 Q639 I640	C634-V636 PolarHBondContact O-N 3.06Å; C634-V636 VanDerWaalsContact O-N 3.13Å; V636-V638 VanDerWaalsContact C-N 3.33Å; V636-V638 PolarHBondContact O-N 3.18Å; V636-Q639 PolarHBondContact O-N 3.38Å; V636-I640 HydrophobicContact CG1-CD1 3.78Å; V636-I640 HydrophobicContact CG1-CG1 4.38Å; V636-I640 WeakPolarHBondContact O-CB 3.38Å; V636-I640 VanDerWaalsContact O-CG1 3.29Å; V636-I640 WeakPolarHBondContact O-CG1 3.3Å; V636-I640 PolarHBondContact O-N 2.75Å
637	H	95	Very high	83.2	Confident	98 Å²	98	112.8 Å²	112.8	45%	0.454	57%	0.567	S	S	.	*	H	α-helix	trans	-65.4	-37.4	175.9	-61.8	170.2	0	0	0	111.8	W633 C634 A641	W633-H637 HydrophobicContact CD2-CB 4.46Å; W633-H637 HydrophobicContact CE3-CB 3.56Å; W633-H637 HydrophobicContact CZ3-CB 4.08Å; C634-H637 PolarHBondContact O-N 3.36Å; C634-H637 PolarHBondContact SG-CD2 2.85Å; C634-H637 PolarHBondContact SG-N 3.35Å; H637-A641 VanDerWaalsContact O-CB 3.23Å; H637-A641 WeakPolarHBondContact O-CB 3.2Å; H637-A641 PolarHBondContact O-N 3.43Å
638	V	94.4	Very high	85.5	Confident	84 Å²	84	110.7 Å²	110.7	51%	0.509	55%	0.548	S	S	.	.	H	α-helix	trans	-66.8	-41.8	175.1	-179.1	0	0	0	0	111	W633 C634 A635 V636 A641 W642	W633-V638 HydrophobicContact CB-CG2 4.08Å; C634-V638 PolarHBondContact O-N 3.47Å; A635-V638 PolarHBondContact O-N 2.87Å; V636-V638 VanDerWaalsContact C-N 3.33Å; V636-V638 PolarHBondContact O-N 3.18Å; V638-A641 PolarHBondContact O-N 3.33Å; V638-W642 WeakPolarHBondContact O-CB 3.47Å; V638-W642 PolarHBondContact O-N 2.9Å
639	Q	91.1	Very high	87.2	Confident	113 Å²	113	103.6 Å²	103.6	53%	0.528	52%	0.524	S	S	.	.	H	α-helix	trans	-62.7	-46.4	176.1	-179.1	177.5	-11.7	0	0	112	A635 V636 W642 Q643	A635-Q639 WeakPolarHBondContact O-CB 3.26Å; A635-Q639 PolarHBondContact O-N 3.46Å; V636-Q639 PolarHBondContact O-N 3.38Å; Q639-W642 PolarHBondContact O-N 3.25Å; Q639-Q643 WeakPolarHBondContact O-CB 3.47Å; Q639-Q643 WeakPolarHBondContact O-CG 3.41Å; Q639-Q643 PolarHBondContact O-N 2.77Å
640	I	95.7	Very high	89	Confident	77 Å²	77	96.5 Å²	96.5	40%	0.395	49%	0.493	S	S	.	.	H	α-helix	trans	-64.1	-45	176.6	-68.8	168.5	0	0	0	110.6	V636 W642 Q643 I644	V636-I640 HydrophobicContact CG1-CD1 3.78Å; V636-I640 HydrophobicContact CG1-CG1 4.38Å; V636-I640 WeakPolarHBondContact O-CB 3.38Å; V636-I640 VanDerWaalsContact O-CG1 3.29Å; V636-I640 WeakPolarHBondContact O-CG1 3.3Å; V636-I640 PolarHBondContact O-N 2.75Å; I640-W642 VanDerWaalsContact C-N 3.32Å; I640-W642 PolarHBondContact O-N 3.42Å; I640-Q643 PolarHBondContact O-N 3.18Å; I640-I644 HydrophobicContact CG2-CD1 3.67Å; I640-I644 HydrophobicContact CG2-CG1 4.34Å; I640-I644 WeakPolarHBondContact O-CB 3.49Å; I640-I644 VanDerWaalsContact O-CG1 3.31Å; I640-I644 WeakPolarHBondContact O-CG1 3.48Å; I640-I644 PolarHBondContact O-N 3.23Å
641	A	96.1	Very high	89.9	Confident	42 Å²	42	93.2 Å²	93.2	35%	0.347	47%	0.468	S	S	.	.	H	α-helix	trans	-61.1	-40.2	176.9	0	0	0	0	0	112.1	W633 H637 V638 Y645	W633-A641 HydrophobicContact CZ3-CB 4.32Å; H637-A641 VanDerWaalsContact O-CB 3.23Å; H637-A641 WeakPolarHBondContact O-CB 3.2Å; H637-A641 PolarHBondContact O-N 3.43Å; V638-A641 PolarHBondContact O-N 3.33Å; A641-Y645 VanDerWaalsContact O-CB 3.28Å; A641-Y645 WeakPolarHBondContact O-CB 3.45Å; A641-Y645 PolarHBondContact O-N 3.29Å
642	W	95.9	Very high	90.2	Very high	154 Å²	154	97.1 Å²	97.1	58%	0.583	47%	0.47	S	S	*	.	H	α-helix	trans	-64.7	-45.6	173.9	179.8	86.3	0	0	0	111.9	V638 Q639 I640 I644 Y645 H646	V638-W642 WeakPolarHBondContact O-CB 3.47Å; V638-W642 PolarHBondContact O-N 2.9Å; Q639-W642 PolarHBondContact O-N 3.25Å; I640-W642 VanDerWaalsContact C-N 3.32Å; I640-W642 PolarHBondContact O-N 3.42Å; W642-I644 PolarHBondContact O-N 2.74Å; W642-Y645 PolarHBondContact O-N 2.76Å; W642-H646 AromaticContact CZ2-CD2 3.71Å; W642-H646 VanDerWaalsContact O-CB 3.28Å; W642-H646 WeakPolarHBondContact O-CB 3.46Å; W642-H646 PolarHBondContact O-N 2.97Å
643	Q	95.7	Very high	89.8	Confident	100 Å²	100	91.6 Å²	91.6	47%	0.467	45%	0.448	S	S	.	.	H	α-helix	trans	-59.8	-45.3	176.3	-75.4	174.7	-28.1	0	0	111.8	Q639 I640 H647	Q639-Q643 WeakPolarHBondContact O-CB 3.47Å; Q639-Q643 WeakPolarHBondContact O-CG 3.41Å; Q639-Q643 PolarHBondContact O-N 2.77Å; I640-Q643 PolarHBondContact O-N 3.18Å; Q643-H647 WeakPolarHBondContact O-CB 3.39Å; Q643-H647 PolarHBondContact O-N 3.23Å
644	I	96.2	Very high	88.7	Confident	87 Å²	87	88.4 Å²	88.4	45%	0.446	44%	0.441	S	S	.	.	H	α-helix	trans	-64.1	-46.2	176.9	-68.5	169.7	0	0	0	110.8	I640 W642 H647 Q648	I640-I644 HydrophobicContact CG2-CD1 3.67Å; I640-I644 HydrophobicContact CG2-CG1 4.34Å; I640-I644 WeakPolarHBondContact O-CB 3.49Å; I640-I644 VanDerWaalsContact O-CG1 3.31Å; I640-I644 WeakPolarHBondContact O-CG1 3.48Å; I640-I644 PolarHBondContact O-N 3.23Å; W642-I644 PolarHBondContact O-N 2.74Å; I644-H647 PolarHBondContact O-N 3.25Å; I644-Q648 WeakPolarHBondContact O-CG 3.37Å; I644-Q648 PolarHBondContact O-N 3.11Å
645	Y	95.6	Very high	87.3	Confident	136 Å²	136	94 Å²	94	53%	0.533	46%	0.462	S	S	.	.	H	α-helix	trans	-60.4	-49	177.5	173.3	-99	0	0	0	111.7	A641 W642 H647 Q648 Q649	A641-Y645 VanDerWaalsContact O-CB 3.28Å; A641-Y645 WeakPolarHBondContact O-CB 3.45Å; A641-Y645 PolarHBondContact O-N 3.29Å; W642-Y645 PolarHBondContact O-N 2.76Å; Y645-H647 VanDerWaalsContact C-N 3.3Å; Y645-H647 PolarHBondContact O-N 2.98Å; Y645-Q648 PolarHBondContact O-N 3.49Å; Y645-Q648 VanDerWaalsContact O-N 3.14Å; Y645-Q649 HydrophobicContact CE1-CG 4.04Å; Y645-Q649 HydrophobicContact CE2-CG 4.3Å; Y645-Q649 WeakPolarHBondContact O-CG 3.4Å; Y645-Q649 PolarHBondContact O-N 3.04Å; Y645-Q649 PolarHBondContact OH-NE2 3.37Å
646	H	94.6	Very high	85.6	Confident	70 Å²	70	96.2 Å²	96.2	32%	0.324	46%	0.462	S	S	.	.	H	α-helix	trans	-63.2	-38.7	179.1	-152.5	-87.3	0	0	0	111.2	Q507 W642 Q649 K650	Q507-H646 PolarHBondContact NE2-CE1 3.05Å; Q507-H646 PolarHBondContact OE1-CE1 2.88Å; Q507-H646 VanDerWaalsContact OE1-CE1 3.22Å; Q507-H646 PolarHBondContact OE1-ND1 2.67Å; W642-H646 AromaticContact CZ2-CD2 3.71Å; W642-H646 VanDerWaalsContact O-CB 3.28Å; W642-H646 WeakPolarHBondContact O-CB 3.46Å; W642-H646 PolarHBondContact O-N 2.97Å; H646-Q649 PolarHBondContact O-N 3.23Å; H646-K650 VanDerWaalsContact O-CB 3.26Å; H646-K650 WeakPolarHBondContact O-CB 3.44Å; H646-K650 PolarHBondContact O-N 2.98Å
647	H	93.5	Very high	83.2	Confident	71 Å²	71	96.6 Å²	96.6	33%	0.329	46%	0.461	S	S	.	.	H	α-helix	trans	-63.8	-41.1	172.2	177.8	87.2	0	0	0	112.5	S510 Q643 I644 Y645 Q649 K650 M651	S510-H647 PolarHBondContact OG-CE1 3.33Å; Q643-H647 WeakPolarHBondContact O-CB 3.39Å; Q643-H647 PolarHBondContact O-N 3.23Å; I644-H647 PolarHBondContact O-N 3.25Å; Y645-H647 VanDerWaalsContact C-N 3.3Å; Y645-H647 PolarHBondContact O-N 2.98Å; H647-Q649 PolarHBondContact O-N 3.04Å; H647-K650 CarbonylContact O-C 3.59Å; H647-K650 WeakPolarHBondContact O-CA 3.32Å; H647-K650 VanDerWaalsContact O-CB 3.28Å; H647-K650 WeakPolarHBondContact O-CB 3.19Å; H647-K650 PolarHBondContact O-N 2.76Å; H647-M651 WeakPolarHBondContact CE1-CE 3.37Å; H647-M651 WeakPolarHBondContact O-CG 3.33Å; H647-M651 PolarHBondContact O-N 3.49Å
648	Q	93.5	Very high	81.2	Confident	95 Å²	95	97.2 Å²	97.2	44%	0.444	47%	0.474	S	S	.	.	H	α-helix	trans	-65.7	-36.5	175.6	-73.5	-177.6	27.9	0	0	112.8	I644 Y645 M651 K652	I644-Q648 WeakPolarHBondContact O-CG 3.37Å; I644-Q648 PolarHBondContact O-N 3.11Å; Y645-Q648 PolarHBondContact O-N 3.49Å; Y645-Q648 VanDerWaalsContact O-N 3.14Å; Q648-M651 PolarHBondContact O-N 3.27Å; Q648-K652 WeakPolarHBondContact O-CG 3.43Å; Q648-K652 PolarHBondContact O-N 3.17Å; Q648-K652 VanDerWaalsContact O-N 3.1Å
649	Q	88.6	Confident	78.9	Confident	78 Å²	78	101 Å²	101	36%	0.364	49%	0.486	S	S	.	.	H	α-helix	trans	-65.8	-42.3	171.2	-62	-62	-2.7	0	0	110.9	Y645 H646 H647 M651 K652 Q653	Y645-Q649 HydrophobicContact CE1-CG 4.04Å; Y645-Q649 HydrophobicContact CE2-CG 4.3Å; Y645-Q649 WeakPolarHBondContact O-CG 3.4Å; Y645-Q649 PolarHBondContact O-N 3.04Å; Y645-Q649 PolarHBondContact OH-NE2 3.37Å; H646-Q649 PolarHBondContact O-N 3.23Å; H647-Q649 PolarHBondContact O-N 3.04Å; Q649-M651 VanDerWaalsContact C-N 3.29Å; Q649-M651 PolarHBondContact O-N 2.94Å; Q649-K652 PolarHBondContact O-N 3.39Å; Q649-Q653 VanDerWaalsContact O-CB 3.25Å; Q649-Q653 WeakPolarHBondContact O-CB 3.45Å; Q649-Q653 PolarHBondContact O-N 3.12Å
650	K	89.3	Confident	76.5	Confident	45 Å²	45	103.1 Å²	103.1	20%	0.196	49%	0.493	C	S	.	.	H	α-helix	trans	-57	-36.4	172.7	177.7	176.9	-110.1	-138.1	0	113	Q507 P508 H509 H646 H647	Q507-K650 HydrophobicContact CB-CB 3.76Å; Q507-K650 HydrophobicContact CB-CG 3.89Å; Q507-K650 HydrophobicContact CG-CB 3.99Å; Q507-K650 HydrophobicContact CG-CG 4.44Å; P508-K650 WeakPolarHBondContact O-CE 3.4Å; P508-K650 PolarHBondContact O-NZ 3.09Å; H509-K650 PolarHBondContact CE1-O 2.85Å; H509-K650 VanDerWaalsContact N-CD 3.28Å; H509-K650 PolarHBondContact ND1-O 2.79Å; H509-K650 PolarHBondContact O-NZ 3.42Å; H646-K650 VanDerWaalsContact O-CB 3.26Å; H646-K650 WeakPolarHBondContact O-CB 3.44Å; H646-K650 PolarHBondContact O-N 2.98Å; H647-K650 CarbonylContact O-C 3.59Å; H647-K650 WeakPolarHBondContact O-CA 3.32Å; H647-K650 VanDerWaalsContact O-CB 3.28Å; H647-K650 WeakPolarHBondContact O-CB 3.19Å; H647-K650 PolarHBondContact O-N 2.76Å
651	M	77.1	Confident	74.2	Confident	49 Å²	49	107.5 Å²	107.5	24%	0.241	52%	0.516	C	S	.	.	H	α-helix	trans	-66	-57.2	172.5	-62.9	-52	89.4	0	0	111.1	H509 H647 Q648 Q649 Q653 M654 Q655	H509-M651 HydrophobicContact CB-CE 4.3Å; H509-M651 VanDerWaalsContact CD2-CE 3.41Å; H509-M651 WeakPolarHBondContact CD2-CE 3.42Å; H509-M651 VanDerWaalsContact CE1-CA 3.49Å; H509-M651 WeakPolarHBondContact CE1-CA 3.5Å; H509-M651 WeakPolarHBondContact NE2-CE 3.48Å; H509-M651 PolarHBondContact NE2-SD 3.42Å; H509-M651 VanDerWaalsContact NE2-SD 3.36Å; H647-M651 WeakPolarHBondContact CE1-CE 3.37Å; H647-M651 WeakPolarHBondContact O-CG 3.33Å; H647-M651 PolarHBondContact O-N 3.49Å; Q648-M651 PolarHBondContact O-N 3.27Å; Q649-M651 VanDerWaalsContact C-N 3.29Å; Q649-M651 PolarHBondContact O-N 2.94Å; M651-Q653 PolarHBondContact O-N 2.72Å; M651-Q653 VanDerWaalsContact O-N 3.14Å; M651-M654 PolarHBondContact O-N 3Å; M651-Q655 PolarHBondContact O-N 3.04Å; M651-Q655 VanDerWaalsContact O-N 3.12Å
652	K	77.4	Confident	71.4	Confident	136 Å²	136	112.4 Å²	112.4	59%	0.591	54%	0.537	S	S	*	.	H	α-helix	trans	-60.1	-27.4	-176.1	-69.7	171.5	-178.6	176.8	0	113.1	Q648 Q649	Q648-K652 WeakPolarHBondContact O-CG 3.43Å; Q648-K652 PolarHBondContact O-N 3.17Å; Q648-K652 VanDerWaalsContact O-N 3.1Å; Q649-K652 PolarHBondContact O-N 3.39Å
653	Q	64.4	Low	69	Low	93 Å²	93	114.3 Å²	114.3	44%	0.435	56%	0.555	S	S	.	*	H	α-helix	trans	-85.4	-21.1	-176.1	-165.7	161.8	68.7	0	0	115	C506 Q507 Q649 M651	C506-Q653 HydrophobicContact CB-CG 4.11Å; C506-Q653 PolarHBondContact SG-NE2 2.88Å; C506-Q653 VanDerWaalsContact SG-NE2 3.42Å; C506-Q653 PolarHBondContact SG-OE1 2.73Å; Q507-Q653 VanDerWaalsContact N-OE1 3.12Å; Q649-Q653 VanDerWaalsContact O-CB 3.25Å; Q649-Q653 WeakPolarHBondContact O-CB 3.45Å; Q649-Q653 PolarHBondContact O-N 3.12Å; M651-Q653 PolarHBondContact O-N 2.72Å; M651-Q653 VanDerWaalsContact O-N 3.14Å
654	M	64.1	Low	66.4	Low	109 Å²	109	117.7 Å²	117.7	54%	0.537	58%	0.576	S	S	.	*	H	α-helix	trans	-95	-14.3	163.9	-54.5	-172.8	82.4	0	0	113.2	P508 H509 M651 L656	P508-M654 HydrophobicContact CB-CE 3.88Å; P508-M654 HydrophobicContact CB-CG 4.05Å; P508-M654 HydrophobicContact CB-SD 3.26Å; P508-M654 WeakPolarHBondContact CB-SD 3.48Å; H509-M654 HydrophobicContact CB-SD 3.99Å; H509-M654 WeakPolarHBondContact ND1-CG 3.5Å; H509-M654 PolarHBondContact ND1-SD 3.46Å; M651-M654 PolarHBondContact O-N 3Å; M654-L656 PolarHBondContact O-N 2.88Å
655	Q	56.3	Low	63.5	Low	173 Å²	173	116 Å²	116	81%	0.808	58%	0.58	S	S	*	*			trans	-82.3	22.2	172.8	-157	174.5	87.8	0	0	112.6	M651	M651-Q655 PolarHBondContact O-N 3.04Å; M651-Q655 VanDerWaalsContact O-N 3.12Å
656	L	50	Low	60.9	Low	128 Å²	128	118.5 Å²	118.5	67%	0.67	59%	0.594	S	S	*	*	S	Bend	trans	-88.6	124.5	164.7	-166.5	70.7	0	0	0	108.6	M654 P658	M654-L656 PolarHBondContact O-N 2.88Å; L656-P658 WeakPolarHBondContact O-CD 3.41Å
657	D	42.9	Very low	58.5	Low	90 Å²	90	121.3 Å²	121.3	48%	0.481	61%	0.61	S	S	.	*			trans	-60.9	121.3	-170.5	176.1	23.6	0	0	0	113.6	H659	D657-H659 PolarHBondContact O-N 3.21Å; D657-H659 VanDerWaalsContact O-N 3.1Å; D657-H659 WeakPolarHBondContact OD1-CB 3.36Å; D657-H659 IonicContact OD1-CD2 3.79Å; D657-H659 PolarHBondContact OD1-CD2 2.96Å; D657-H659 IonicContact OD1-CG 3.42Å; D657-H659 PolarHBondContact OD1-N 2.93Å
658	P	53.1	Low	55.7	Low	111 Å²	111	121.3 Å²	121.3	72%	0.721	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-7.3	173.3	-23.6	35.4	0	0	0	115.6	L656	L656-P658 WeakPolarHBondContact O-CD 3.41Å
659	H	46.6	Very low	53.1	Low	164 Å²	164	118.7 Å²	118.7	76%	0.759	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	12.6	-173.8	-64.7	-61.6	0	0	0	115.9	D657	D657-H659 PolarHBondContact O-N 3.21Å; D657-H659 VanDerWaalsContact O-N 3.1Å; D657-H659 WeakPolarHBondContact OD1-CB 3.36Å; D657-H659 IonicContact OD1-CD2 3.79Å; D657-H659 PolarHBondContact OD1-CD2 2.96Å; D657-H659 IonicContact OD1-CG 3.42Å; D657-H659 PolarHBondContact OD1-N 2.93Å
660	K	40.8	Very low	50.7	Low	157 Å²	157	118.4 Å²	118.4	68%	0.683	60%	0.599	S	S	*	*			trans	-133.5	87.4	168.5	-73.2	-168.4	163.3	-67.3	0	113.5
661	L	46.4	Very low	47.9	Very low	169 Å²	169	121 Å²	121	89%	0.885	62%	0.623	S	S	*	*			trans	-102.4	106.8	156	-74.1	172.5	0	0	0	108.3
662	D	37.5	Very low	45.8	Very low	145 Å²	145	128.6 Å²	128.6	78%	0.775	65%	0.649	S	S	*	*			trans	-88.3	136.4	168.4	-76.3	-50.9	0	0	0	109.8
663	M	44.8	Very low	43.9	Very low	195 Å²	195	126.1 Å²	126.1	96%	0.961	65%	0.647	S	S	*	*			trans	-91.3	103.1	177.5	-84.5	-163.1	160	0	0	111.8
664	N	41.5	Very low	42.7	Very low	170 Å²	170	127.9 Å²	127.9	91%	0.909	67%	0.666	S	S	*	*			trans	-154.7	142.1	148.8	-160.2	0.2	0	0	0	110.3
665	G	36.3	Very low	41.4	Very low	51 Å²	51	127.1 Å²	127.1	53%	0.526	68%	0.678	S	S	.	*			trans	131.5	81.3	-178	0	0	0	0	0	114
666	K	40.3	Very low	40.8	Very low	190 Å²	190	125.1 Å²	125.1	83%	0.826	68%	0.68	S	S	*	*			trans	-133.4	154.3	159	-90.9	-169.7	174.3	-174.8	0	107.7
667	L	43.3	Very low	40.1	Very low	129 Å²	129	122.6 Å²	122.6	68%	0.675	68%	0.684	S	S	*	*			trans	72.6	111	-179.9	-46.5	174.5	0	0	0	112.7	S309	S309-L667 CarbonylContact O-C 3.49Å; S309-L667 PolarHBondContact O-N 2.88Å
668	D	36.1	Very low	39.8	Very low	71 Å²	71	125.3 Å²	125.3	38%	0.38	70%	0.704	S	S	.	*				-145.6	152.5	70.3	-148.4	2.4	0	0	0	112.9	A308 S309 L495	A308-D668 VanDerWaalsContact CB-O 3.23Å; A308-D668 WeakPolarHBondContact CB-O 3.26Å; A308-D668 PolarHBondContact O-N 2.74Å; S309-D668 PolarHBondContact O-N 3.38Å; L495-D668 WeakPolarHBondContact CD2-OD1 3.49Å
669	L	37.8	Very low	38.9	Very low	40 Å²	40	129.9 Å²	129.9	21%	0.209	71%	0.713	C	S	.	*			trans	-124.5	156.1	-178.7	-133.2	-178.3	0	0	0	107.6	P307 A308	P307-L669 HydrophobicContact CG-CD1 3.53Å; P307-L669 HydrophobicContact CG-CD2 3.77Å; P307-L669 HydrophobicContact CG-CG 3.63Å; A308-L669 HydrophobicContact CB-CG 4.2Å
670	F	39.3	Very low	39	Very low	72 Å²	72	127.9 Å²	127.9	32%	0.316	71%	0.714	S	S	.	*			trans	66.3	107.8	160	-63.7	-63.8	0	0	0	117	L496 I497 S498	L496-F670 VanDerWaalsContact C-C 3.43Å; L496-F670 CarbonylContact C-O 3.55Å; L496-F670 VanDerWaalsContact C-O 3.31Å; L496-F670 WeakPolarHBondContact CA-O 2.93Å; L496-F670 HydrophobicContact CB-CB 4.2Å; L496-F670 HydrophobicContact CD1-CB 3.6Å; L496-F670 HydrophobicContact CD1-CD1 4.48Å; L496-F670 HydrophobicContact CD1-CD2 3.41Å; L496-F670 VanDerWaalsContact CD1-CD2 3.41Å; L496-F670 HydrophobicContact CD1-CE2 4.14Å; L496-F670 HydrophobicContact CD1-CG 3.64Å; L496-F670 HydrophobicContact CG-CB 3.76Å; L496-F670 HydrophobicContact CG-CD1 4.47Å; L496-F670 HydrophobicContact CG-CD2 4.23Å; L496-F670 HydrophobicContact CG-CG 3.97Å; L496-F670 PolarHBondContact N-O 3.37Å; I497-F670 HydrophobicContact CB-CD1 4.26Å; I497-F670 HydrophobicContact CG2-CD1 4.11Å; S498-F670 VanDerWaalsContact OG-CD1 3.31Å; S498-F670 WeakPolarHBondContact OG-CD1 3.49Å; S498-F670 WeakPolarHBondContact OG-CE1 3.42Å
671	S	30.3	Very low	38.3	Very low	100 Å²	100	123.5 Å²	123.5	70%	0.699	71%	0.714	S	S	*	*			trans	-154.4	123.2	160.3	-76.4	0	0	0	0	108.5	I497	I497-S671 VanDerWaalsContact C-N 3.27Å; I497-S671 VanDerWaalsContact N-CA 3.26Å; I497-S671 CarbonylContact O-C 3.53Å; I497-S671 PolarHBondContact O-N 3.25Å
672	R	33.5	Very low	37.6	Very low	208 Å²	208	125.4 Å²	125.4	79%	0.785	72%	0.715	S	S	*	*			cis	-149.9	-175.3	20.7	-131.3	-175.2	162.6	-152.5	-2.8	108.9	L496 I497	L496-R672 CarbonylContact O-C 3.47Å; L496-R672 WeakPolarHBondContact O-CA 3.19Å; I497-R672 PolarHBondContact O-N 3.28Å
673	P	37.3	Very low	38.2	Very low	84 Å²	84	123.4 Å²	123.4	55%	0.545	71%	0.71	S	S	.	*			cis	-128	-138.1	-16.1	44.8	-23.6	0	0	0	112.2
674	P	39.2	Very low	37.5	Very low	129 Å²	129	124.3 Å²	124.3	84%	0.838	71%	0.705	S	S	*	*			trans	-117.4	177.3	-136.2	28	-2.1	0	0	0	117.9
675	A	35.9	Very low	38.1	Very low	94 Å²	94	120 Å²	120	78%	0.777	69%	0.686	S	S	*	*			trans	-95.8	177.8	-175.4	0	0	0	0	0	115.4
676	P	43.6	Very low	38	Very low	131 Å²	131	125.6 Å²	125.6	85%	0.851	70%	0.698	S	S	*	*				-149	147.2	129.5	37.2	-21	0	0	0	118
677	G	34.8	Very low	37.4	Very low	74 Å²	74	121.4 Å²	121.4	76%	0.763	69%	0.685	S	S	*	*			trans	87	150.2	155.8	0	0	0	0	0	118.3
678	V	37.9	Very low	37.5	Very low	148 Å²	148	120.9 Å²	120.9	90%	0.897	68%	0.682	S	S	*	*			cis	-148.5	-173.7	-5.4	-76.2	0	0	0	0	111.4
679	F	33.1	Very low	37.3	Very low	207 Å²	207	122 Å²	122	91%	0.908	70%	0.701	S	S	*	*			trans	-90.6	172.6	-158.7	-88.6	-101.4	0	0	0	118
680	P	49.6	Very low	37.5	Very low	121 Å²	121	129.2 Å²	129.2	79%	0.786	73%	0.725	S	S	*	*			trans	-115.5	176.6	-165.1	43.3	-34	0	0	0	117.4
681	G	26.7	Very low	37.9	Very low	66 Å²	66	131.4 Å²	131.4	68%	0.68	75%	0.747	S	S	*	*			trans	129.3	155.8	175.6	0	0	0	0	0	111.8
682	F	31.2	Very low	38	Very low	209 Å²	209	134 Å²	134	92%	0.917	75%	0.752	S	S	*	*			cis	-158.3	-169.6	-0.1	-112.1	-49.2	0	0	0	109.2
683	P	49.9	Very low	38	Very low	103 Å²	103	133.3 Å²	133.3	67%	0.669	76%	0.755	S	S	*	*			trans	-129.4	-161.2	-141.4	44.9	-26.8	0	0	0	118.1
684	Y	30.9	Very low	38	Very low	214 Å²	214	135 Å²	135	84%	0.839	77%	0.766	S	S	*	*			trans	92.4	162.5	151.3	-118.8	-131.2	0	0	0	119.2
685	P	53	Low	37.7	Very low	80 Å²	80	134.3 Å²	134.3	52%	0.519	76%	0.764	S	S	.	*				-137.6	177.9	-53	41.2	-27.8	0	0	0	117.1
686	H	33.7	Very low	37.3	Very low	168 Å²	168	136.6 Å²	136.6	78%	0.778	77%	0.769	S	S	*	*			trans	157.3	145	140.2	-90	-70	0	0	0	108.9
687	D	29.1	Very low	36.5	Very low	102 Å²	102	133.6 Å²	133.6	55%	0.545	76%	0.761	S	S	.	*			cis	62.8	113.3	-1	-162.7	40.5	0	0	0	119.9
688	L	44.1	Very low	36.6	Very low	117 Å²	117	135.6 Å²	135.6	61%	0.613	76%	0.764	S	S	*	*				-175.2	102.3	109	-96.2	177.1	0	0	0	115.7	R690	L688-R690 HydrophobicContact CD2-CG 3.97Å
689	A	33	Very low	36.1	Very low	94 Å²	94	133.4 Å²	133.4	78%	0.777	76%	0.761	S	S	*	*			trans	169.1	76.9	150.9	0	0	0	0	0	109.1
690	R	40.8	Very low	36.3	Very low	192 Å²	192	131.9 Å²	131.9	73%	0.725	76%	0.756	S	S	*	*				50.8	140	75	-60.8	-166.9	176.8	-170.7	5.1	114	L688	L688-R690 HydrophobicContact CD2-CG 3.97Å
691	P	48.1	Very low	35.7	Very low	119 Å²	119	131.9 Å²	131.9	77%	0.773	76%	0.756	S	S	*	*			cis	-100.4	-177.3	3	-1.4	25.7	0	0	0	113.3
692	L	32.3	Very low	35.7	Very low	153 Å²	153	133.2 Å²	133.2	80%	0.801	76%	0.761	S	S	*	*			cis	-161.6	-175.8	-25.5	-118.4	174.5	0	0	0	110.3
693	F	33.7	Very low	36.4	Very low	194 Å²	194	129 Å²	129	85%	0.851	75%	0.754	S	S	*	*			trans	-147.1	-177.1	179.7	-90.3	-73.8	0	0	0	108
694	P	37.8	Very low	35.8	Very low	121 Å²	121	129.4 Å²	129.4	79%	0.786	76%	0.76	S	S	*	*			cis	-146.4	-167.6	25	44.9	-22.9	0	0	0	118
695	S	31.9	Very low	36.5	Very low	114 Å²	114	123.9 Å²	123.9	80%	0.797	75%	0.75	S	S	*	*			trans	-82.5	144.9	-177.6	-178.8	0	0	0	0	115
696	T	27.7	Very low	35.3	Very low	141 Å²	141	131.2 Å²	131.2	87%	0.865	77%	0.769	S	S	*	*			trans	-170.2	164.1	153.2	10.7	0	0	0	0	107
697	G	26.3	Very low	35.1	Very low	68 Å²	68	126.5 Å²	126.5	70%	0.701	77%	0.766	S	S	*	*			cis	133.5	82.6	4	0	0	0	0	0	111.5
698	S	38.5	Very low	35.2	Very low	117 Å²	117	127.9 Å²	127.9	82%	0.818	78%	0.783	S	S	*	*			trans	25.8	110.2	164.9	-168.5	0	0	0	0	119.8
699	A	27.2	Very low	34.7	Very low	101 Å²	101	126 Å²	126	84%	0.835	79%	0.785	S	S	*	*			trans	-152.5	148	156.5	0	0	0	0	0	111.7
700	H	37.6	Very low	35.2	Very low	175 Å²	175	127.7 Å²	127.7	81%	0.81	79%	0.788	S	S	*	*			trans	-104.4	153.2	174	-64.3	-93.1	0	0	0	110.8
701	P	35.8	Very low	34.9	Very low	121 Å²	121	126.8 Å²	126.8	79%	0.786	79%	0.792	S	S	*	*				-127.6	165.4	96.6	5.1	17.7	0	0	0	112.2
702	A	27.4	Very low	35	Very low	94 Å²	94	126.9 Å²	126.9	78%	0.777	79%	0.792	S	S	*	*			cis	89.7	148.8	39.7	0	0	0	0	0	114.2
703	P	45.3	Very low	34.8	Very low	120 Å²	120	125.7 Å²	125.7	78%	0.779	80%	0.797	S	S	*	*			trans	-120.8	163.5	-140.5	42.4	-34.2	0	0	0	118.9
704	S	38.4	Very low	34.6	Very low	112 Å²	112	119.3 Å²	119.3	78%	0.783	79%	0.786	S	S	*	*			trans	53.5	137	147.4	-140.7	0	0	0	0	120.5
705	P	44.6	Very low	34.3	Very low	98 Å²	98	122.6 Å²	122.6	64%	0.636	79%	0.788	S	S	*	*				-157.4	167	82.6	41.3	-21.3	0	0	0	118.9
706	Y	28.8	Very low	34.7	Very low	235 Å²	235	124.6 Å²	124.6	92%	0.922	79%	0.789	S	S	*	*			trans	59.3	147.9	170.6	-55	-76.5	0	0	0	117.6
707	G	28.6	Very low	36	Very low	68 Å²	68	123 Å²	123	70%	0.701	78%	0.781	S	S	*	*			cis	-163.6	168.7	-8	0	0	0	0	0	107.4
708	S	30.5	Very low	36.5	Very low	131 Å²	131	125.9 Å²	125.9	92%	0.916	79%	0.787	S	S	*	*			cis	-156.4	167.1	26.8	-62	0	0	0	0	111.6
709	A	34.3	Very low	35.9	Very low	78 Å²	78	124.8 Å²	124.8	65%	0.645	78%	0.78	S	S	*	*			trans	-98.4	173.7	176.2	0	0	0	0	0	112.7
710	P	44.1	Very low	36.2	Very low	129 Å²	129	128.2 Å²	128.2	84%	0.838	78%	0.778	S	S	*	*				-141.6	174.5	80.7	37.2	-19.9	0	0	0	116.7
711	H	34	Very low	36.1	Very low	174 Å²	174	128.1 Å²	128.1	81%	0.806	78%	0.783	S	S	*	*			trans	-92.2	-171.5	176.7	-57	-81.5	0	0	0	111.1
712	P	50.2	Low	35.9	Very low	120 Å²	120	126.3 Å²	126.3	78%	0.779	78%	0.778	S	S	*	*			cis	-142.6	-177.5	4	44.1	-25	0	0	0	118.3
713	S	28.8	Very low	36.1	Very low	129 Å²	129	127.8 Å²	127.8	90%	0.902	77%	0.772	S	S	*	*			trans	74.2	140.7	159.7	-148.9	0	0	0	0	118.7
714	G	29.1	Very low	36.1	Very low	60 Å²	60	127.3 Å²	127.3	62%	0.619	77%	0.769	S	S	*	*			cis	-177.7	143.5	-6.7	0	0	0	0	0	115.9
715	F	32	Very low	35.7	Very low	190 Å²	190	130.1 Å²	130.1	83%	0.833	77%	0.768	S	S	*	*			trans	35.6	115.3	143.7	-73.8	-96.2	0	0	0	124.5
716	L	39.6	Very low	35.1	Very low	155 Å²	155	130.2 Å²	130.2	81%	0.812	77%	0.771	S	S	*	*				65.5	158.7	129.6	-66.6	-174.5	0	0	0	122.5
717	P	54.3	Low	35.7	Very low	108 Å²	108	129.4 Å²	129.4	70%	0.701	77%	0.766	S	S	*	*			trans	-97.4	168	-174.9	41.7	-37.8	0	0	0	113.2
718	P	38.2	Very low	35.8	Very low	129 Å²	129	131.4 Å²	131.4	84%	0.838	77%	0.769	S	S	*	*				-154.5	-161	92.5	43.3	-23.5	0	0	0	116
719	S	25.8	Very low	35.8	Very low	94 Å²	94	130.7 Å²	130.7	66%	0.657	76%	0.764	S	S	*	*			trans	-74.9	169.5	-170.1	-42.8	0	0	0	0	118.8
720	H	33.3	Very low	35.8	Very low	172 Å²	172	131.4 Å²	131.4	80%	0.796	77%	0.765	S	S	*	*			trans	79.3	151.7	153.7	-60.2	-63	0	0	0	120.6
721	L	35.4	Very low	35.3	Very low	174 Å²	174	135 Å²	135	91%	0.911	77%	0.768	S	S	*	*			trans	67.2	147.6	167.2	-63.6	162.6	0	0	0	116
722	A	31.6	Very low	35.2	Very low	82 Å²	82	130.3 Å²	130.3	68%	0.678	77%	0.766	S	S	*	*			cis	-156.5	166.6	-16.7	0	0	0	0	0	110.5
723	D	32.3	Very low	34.4	Very low	125 Å²	125	128.2 Å²	128.2	67%	0.668	77%	0.766	S	S	*	*			trans	-68.9	144.7	159.6	172.1	48.2	0	0	0	109.8	F725	D723-F725 PolarHBondContact OD1-N 2.65Å; D723-F725 VanDerWaalsContact OD1-N 3.15Å; D723-F725 WeakPolarHBondContact OD2-CD2 3.4Å
724	P	43.5	Very low	35	Very low	110 Å²	110	130.9 Å²	130.9	71%	0.714	77%	0.769	S	S	*	*				-150	127.3	113.1	34.1	-15.1	0	0	0	117.6
725	F	31.8	Very low	35.3	Very low	172 Å²	172	131.6 Å²	131.6	75%	0.754	78%	0.777	S	S	*	*				47.7	120.7	124.6	-81.8	-111.7	0	0	0	122.1	D723	D723-F725 PolarHBondContact OD1-N 2.65Å; D723-F725 VanDerWaalsContact OD1-N 3.15Å; D723-F725 WeakPolarHBondContact OD2-CD2 3.4Å
726	S	31.9	Very low	35.2	Very low	100 Å²	100	130 Å²	130	70%	0.699	78%	0.777	S	S	*	*				159.2	144.8	122.7	-78.3	0	0	0	0	111.4
727	R	40.4	Very low	35.2	Very low	218 Å²	218	130.2 Å²	130.2	82%	0.823	78%	0.778	S	S	*	*			cis	-155.2	131.1	-9.1	-99.5	158.9	-178.6	-118.9	0.6	105.4
728	S	30	Very low	34.1	Very low	110 Å²	110	129.5 Å²	129.5	77%	0.769	78%	0.776	S	S	*	*				77.5	138.8	78.4	-54	0	0	0	0	115.7
729	S	31.7	Very low	33.8	Very low	115 Å²	115	129.4 Å²	129.4	80%	0.804	77%	0.773	S	S	*	*			trans	71.3	146.7	171.5	-90	0	0	0	0	118.4
730	S	33.7	Very low	34.5	Very low	94 Å²	94	129.8 Å²	129.8	66%	0.657	78%	0.775	S	S	*	*			cis	-163.2	177.1	-12.7	-113.7	0	0	0	0	112.2
731	F	33.9	Very low	34.9	Very low	205 Å²	205	124.6 Å²	124.6	90%	0.899	76%	0.762	S	S	*	*			trans	1.5	144.8	160.2	-74.3	-107	0	0	0	119.6
732	G	32.6	Very low	35.1	Very low	75 Å²	75	122.6 Å²	122.6	77%	0.773	75%	0.747	S	S	*	*			cis	130.9	144.4	8.6	0	0	0	0	0	111.5
733	G	32.5	Very low	35.7	Very low	75 Å²	75	120.3 Å²	120.3	77%	0.773	73%	0.73	S	S	*	*			trans	115.7	110.7	169.7	0	0	0	0	0	117.7
734	L	42.4	Very low	36.1	Very low	185 Å²	185	117.6 Å²	117.6	97%	0.969	73%	0.732	S	S	*	*			trans	28.3	133.1	140.3	-51.1	176.5	0	0	0	121.8
735	G	33.5	Very low	36.4	Very low	76 Å²	76	121.2 Å²	121.2	78%	0.784	74%	0.744	S	S	*	*			trans	161.7	126.8	156.4	0	0	0	0	0	115.4
736	N	31	Very low	36.6	Very low	155 Å²	155	117 Å²	117	83%	0.829	75%	0.749	S	S	*	*			trans	-95.8	149.2	175.7	-70.2	-13.4	0	0	0	112
737	L	38.9	Very low	36.7	Very low	161 Å²	161	119.8 Å²	119.8	84%	0.843	76%	0.757	S	S	*	*				152.3	140	118.6	-77.8	177.5	0	0	0	116.5
738	S	31.5	Very low	37.2	Very low	93 Å²	93	114.4 Å²	114.4	65%	0.65	75%	0.75	S	S	*	*			trans	54.4	110.6	142.4	65.2	0	0	0	0	125.5
739	T	33.1	Very low	37.3	Very low	126 Å²	126	114.1 Å²	114.1	77%	0.773	75%	0.748	S	S	*	*				50.2	119.9	124.7	60.4	0	0	0	0	125.7
740	S	39.5	Very low	37.7	Very low	102 Å²	102	116.3 Å²	116.3	71%	0.713	75%	0.75	S	S	*	*				63.3	121.7	124.1	-50.1	0	0	0	0	125.8
741	A	41	Very low	37.6	Very low	63 Å²	63	114.9 Å²	114.9	52%	0.521	75%	0.75	S	S	.	*				150	152.3	129.9	0	0	0	0	0	115.7	T782	A741-T782 CarbonylContact O-C 3.59Å
742	F	41.4	Very low	37.7	Very low	133 Å²	133	110.3 Å²	110.3	58%	0.583	74%	0.743	S	S	*	*			cis	-170.4	155.2	-26.4	-173.4	-99.4	0	0	0	111.4	P784 P787	F742-P784 WeakPolarHBondContact CA-O 3.31Å; F742-P784 WeakPolarHBondContact CD2-O 3.3Å; F742-P787 HydrophobicContact CE2-CG 4.42Å; F742-P787 HydrophobicContact CZ-CG 4.14Å
743	G	43.2	Very low	37.8	Very low	33 Å²	33	115 Å²	115	34%	0.34	75%	0.751	S	S	.	*			trans	118.3	158.6	172.8	0	0	0	0	0	115.7	S785	G743-S785 VanDerWaalsContact C-OG 3.27Å; G743-S785 WeakPolarHBondContact CA-OG 3.5Å; G743-S785 PolarHBondContact N-OG 3.06Å; G743-S785 PolarHBondContact O-OG 3.5Å
744	G	41.4	Very low	37.9	Very low	68 Å²	68	116 Å²	116	70%	0.701	75%	0.746	S	S	*	*			cis	135.3	147.7	-0.5	0	0	0	0	0	111.7
745	L	48.3	Very low	37.7	Very low	186 Å²	186	113.9 Å²	113.9	97%	0.974	74%	0.74	S	S	*	*			cis	-160.8	169.7	-4.8	-65.2	174.4	0	0	0	109.2
746	G	36.5	Very low	37.9	Very low	83 Å²	83	119.5 Å²	119.5	86%	0.856	74%	0.743	S	S	*	*			trans	166.9	130.3	164.8	0	0	0	0	0	119.8
747	N	34.5	Very low	37.8	Very low	160 Å²	160	115.1 Å²	115.1	86%	0.856	74%	0.735	S	S	*	*			trans	-167.4	149.5	168.1	-165.3	20.2	0	0	0	108.5
748	P	51.6	Low	37.4	Very low	105 Å²	105	113.3 Å²	113.3	68%	0.682	74%	0.735	S	S	*	*				-159.2	176.9	125.8	41.2	-23	0	0	0	118.2
749	S	30.5	Very low	37.7	Very low	103 Å²	103	116.8 Å²	116.8	72%	0.72	74%	0.739	S	S	*	*			trans	83.9	144.6	146.1	-69.1	0	0	0	0	121.6
750	L	41.5	Very low	37.9	Very low	162 Å²	162	118.5 Å²	118.5	85%	0.848	74%	0.738	S	S	*	*			cis	-170.9	158.3	-27.4	-121.5	177.6	0	0	0	110.2
751	G	30.6	Very low	37.5	Very low	64 Å²	64	116.6 Å²	116.6	66%	0.66	74%	0.735	S	S	*	*			trans	96.2	155.2	155.2	0	0	0	0	0	118
752	S	36.3	Very low	37.8	Very low	109 Å²	109	120 Å²	120	76%	0.762	75%	0.752	S	S	*	*				169.8	125.8	-66.2	-81.5	0	0	0	0	110.1
753	N	34.1	Very low	37.2	Very low	174 Å²	174	117.8 Å²	117.8	93%	0.93	77%	0.766	S	S	*	*			trans	-168.8	153.1	147.1	-110.7	-21.3	0	0	0	112.4
754	S	35.9	Very low	36.7	Very low	95 Å²	95	119.7 Å²	119.7	66%	0.664	79%	0.786	S	S	*	*			trans	-159.2	149.3	-176.9	65.8	0	0	0	0	112.1
755	V	37.2	Very low	36.5	Very low	140 Å²	140	124.5 Å²	124.5	85%	0.848	80%	0.795	S	S	*	*			trans	-143.6	105.4	163.9	-133.4	0	0	0	0	112.7
756	F	38.8	Very low	36.7	Very low	194 Å²	194	121.4 Å²	121.4	85%	0.851	79%	0.785	S	S	*	*			trans	24.7	150.9	144.9	-66	-85.3	0	0	0	123.6
757	G	28.6	Very low	36.7	Very low	63 Å²	63	122.6 Å²	122.6	65%	0.649	78%	0.776	S	S	*	*			cis	167	-156.9	-0.8	0	0	0	0	0	116.7
758	S	29.6	Very low	37	Very low	123 Å²	123	124.3 Å²	124.3	86%	0.86	78%	0.777	S	S	*	*			trans	64.1	113.2	-177.2	-60.1	0	0	0	0	116
759	K	39	Very low	36.1	Very low	167 Å²	167	122.7 Å²	122.7	73%	0.726	78%	0.779	S	S	*	*			cis	85.5	107.6	30.6	-173	-174.8	162.9	-70.3	0	114.8
760	E	35.6	Very low	36	Very low	161 Å²	161	124 Å²	124	75%	0.752	79%	0.788	S	S	*	*				-157.1	159.3	123	-141.1	50.5	-88.3	0	0	111
761	G	32.8	Very low	37.1	Very low	63 Å²	63	121.6 Å²	121.6	65%	0.649	78%	0.782	S	S	*	*			trans	-110.3	-146.1	-170.5	0	0	0	0	0	115.1
762	P	46.4	Very low	37.5	Very low	135 Å²	135	126.1 Å²	126.1	88%	0.877	79%	0.786	S	S	*	*			cis	-146.3	166.3	3.4	42.3	-23.1	0	0	0	119.5
763	G	28.7	Very low	37.6	Very low	86 Å²	86	127.9 Å²	127.9	89%	0.887	78%	0.782	S	S	*	*			trans	83.5	152.2	144.9	0	0	0	0	0	121.8
764	G	32.9	Very low	37.8	Very low	73 Å²	73	125.3 Å²	125.3	75%	0.753	77%	0.768	S	S	*	*			cis	156.8	95.9	-22.7	0	0	0	0	0	120.7
765	L	36.9	Very low	38.1	Very low	169 Å²	169	126.4 Å²	126.4	89%	0.885	77%	0.771	S	S	*	*			trans	62.6	176	144.9	-72.4	-174.8	0	0	0	120.6
766	P	53.6	Low	38	Very low	120 Å²	120	130.7 Å²	130.7	78%	0.779	77%	0.772	S	S	*	*			cis	-135	-125.7	20.8	44.2	-21.5	0	0	0	119.5
767	T	36	Very low	37.9	Very low	108 Å²	108	127.8 Å²	127.8	66%	0.663	77%	0.765	S	S	*	*			trans	-154.8	-172.8	-141	-15.8	0	0	0	0	117.3
768	F	40.1	Very low	38.9	Very low	197 Å²	197	134.8 Å²	134.8	86%	0.864	77%	0.772	S	S	*	*			trans	95.3	148.1	162.1	-52.4	-70.2	0	0	0	120.3
769	G	32.4	Very low	39.7	Very low	71 Å²	71	135.5 Å²	135.5	73%	0.732	77%	0.765	S	S	*	*			cis	167.8	155.7	-15.4	0	0	0	0	0	118.7
770	S	29.6	Very low	39.8	Very low	129 Å²	129	139.7 Å²	139.7	90%	0.902	78%	0.776	S	S	*	*			trans	81.7	162.1	142.9	-78.1	0	0	0	0	126.5
771	P	64.9	Low	40	Very low	112 Å²	112	141.1 Å²	141.1	73%	0.727	78%	0.775	S	S	*	*			trans	-144	-157.4	-146.6	49	-29.3	0	0	0	117.8
772	H	37.6	Very low	40	Very low	159 Å²	159	143.8 Å²	143.8	74%	0.736	78%	0.779	S	S	*	*			trans	-155.5	-176.3	153.3	-123.6	-126.5	0	0	0	108.6
773	H	39.6	Very low	39.6	Very low	147 Å²	147	140.9 Å²	140.9	68%	0.681	76%	0.76	S	S	*	*			cis	-158.7	-152.5	14.4	-143.6	-35.6	0	0	0	112.3
774	D	37.9	Very low	40	Very low	120 Å²	120	140.1 Å²	140.1	64%	0.642	74%	0.739	S	S	*	*			trans	-82.8	155.5	-166	-64.5	15.5	0	0	0	114.6
775	T	41.3	Very low	40	Very low	118 Å²	118	138.8 Å²	138.8	72%	0.724	72%	0.719	S	S	*	*			cis	93.6	61.7	22.2	72.6	0	0	0	0	118.8
776	W	35.2	Very low	39.9	Very low	230 Å²	230	140.7 Å²	140.7	87%	0.871	72%	0.72	S	S	*	*			trans	-141.3	125.6	160.7	-141.2	-90.7	0	0	0	114.1
777	N	37.4	Very low	39.3	Very low	133 Å²	133	139.5 Å²	139.5	71%	0.711	71%	0.713	S	S	*	*			trans	44.3	66.8	156.1	-62.9	-6.5	0	0	0	122.9	L779	N777-L779 PolarHBondContact O-N 2.97Å; N777-L779 VanDerWaalsContact O-N 3.15Å
778	R	50	Low	39.1	Very low	210 Å²	210	140.8 Å²	140.8	79%	0.792	72%	0.72	S	S	*	*				23.9	75.9	103.2	-166.2	-154.7	-145.7	-132.4	11.4	118.5
779	L	46	Very low	39.1	Very low	137 Å²	137	136.6 Å²	136.6	72%	0.717	71%	0.713	S	S	*	*			trans	-169.7	86.1	138.8	-130.7	80.3	0	0	0	116.1	N777	N777-L779 PolarHBondContact O-N 2.97Å; N777-L779 VanDerWaalsContact O-N 3.15Å
780	R	39.8	Very low	39.3	Very low	255 Å²	255	139.3 Å²	139.3	96%	0.962	72%	0.718	S	S	*	*			trans	-174.7	103.6	148.2	-108.7	163.6	-102.9	-98.5	3.9	107.6
781	R	41.5	Very low	39.7	Very low	191 Å²	191	141.7 Å²	141.7	72%	0.721	72%	0.715	S	S	*	*			trans	-107.2	137.4	-165.7	-58.6	177.5	175.5	-157.4	0.4	111.7
782	T	32.7	Very low	38.1	Very low	120 Å²	120	147.9 Å²	147.9	74%	0.736	72%	0.724	S	S	*	*				178.8	150	127.7	22.7	0	0	0	0	112.8	A741 P784	A741-T782 CarbonylContact O-C 3.59Å; T782-P784 WeakPolarHBondContact O-CD 3.38Å
783	P	37.4	Very low	38.2	Very low	73 Å²	73	145.2 Å²	145.2	47%	0.474	72%	0.721	S	S	.	*			trans	-99.3	112.4	-160.5	36.6	-33.8	0	0	0	116.4
784	P	36.3	Very low	37.8	Very low	70 Å²	70	143.4 Å²	143.4	46%	0.455	71%	0.71	S	S	.	*			trans	-79.2	132	146.8	31.9	-32.6	0	0	0	110.2	F742 T782	F742-P784 WeakPolarHBondContact CA-O 3.31Å; F742-P784 WeakPolarHBondContact CD2-O 3.3Å; T782-P784 WeakPolarHBondContact O-CD 3.38Å
785	S	33.7	Very low	37.7	Very low	46 Å²	46	141.8 Å²	141.8	32%	0.322	71%	0.705	S	S	.	*			trans	-128.6	120.2	179.1	-64.9	0	0	0	0	110.1	G743	G743-S785 VanDerWaalsContact C-OG 3.27Å; G743-S785 WeakPolarHBondContact CA-OG 3.5Å; G743-S785 PolarHBondContact N-OG 3.06Å; G743-S785 PolarHBondContact O-OG 3.5Å
786	F	35	Very low	37.2	Very low	209 Å²	209	138.3 Å²	138.3	92%	0.917	69%	0.693	S	S	*	*			trans	178.8	97.2	148.7	-98.5	-60.2	0	0	0	110.8
787	P	41.6	Very low	36.8	Very low	95 Å²	95	133.2 Å²	133.2	62%	0.617	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-82.5	158.1	169.5	34.1	-30.9	0	0	0	111.7	F742	F742-P787 HydrophobicContact CE2-CG 4.42Å; F742-P787 HydrophobicContact CZ-CG 4.14Å
788	T	31.9	Very low	36.6	Very low	134 Å²	134	130 Å²	130	82%	0.822	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-58.5	138.9	-175.4	-46	0	0	0	0	113.7
789	P	38.9	Very low	36.3	Very low	109 Å²	109	126.7 Å²	126.7	71%	0.708	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-69.8	154.8	172	29.8	-35.6	0	0	0	112.8
790	P	37.3	Very low	35.8	Very low	129 Å²	129	131.4 Å²	131.4	84%	0.838	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-79.2	171.8	-171.9	33	-37.4	0	0	0	114.8
791	Q	37.2	Very low	35.6	Very low	179 Å²	179	124.6 Å²	124.6	84%	0.836	66%	0.664	S	S	*	*			trans	-95	-172	171.3	-109.6	-173.7	-13.9	0	0	112.2
792	W	32.1	Very low	35	Very low	242 Å²	242	121.5 Å²	121.5	92%	0.917	67%	0.672	S	S	*	*			trans	90.7	145.4	-178.3	-65.6	77.2	0	0	0	115.2
793	P	38.7	Very low	35.3	Very low	103 Å²	103	119.9 Å²	119.9	67%	0.669	67%	0.665	S	S	*	*			cis	-136.7	-167.7	-23.8	37.6	-18.6	0	0	0	115.3
794	K	33	Very low	35.2	Very low	108 Å²	108	121.7 Å²	121.7	47%	0.47	69%	0.686	S	S	.	*			trans	-69.6	155.3	170.2	-92.8	-178.1	169.7	176.9	0	112.9	C277 G278	C277-K794 HydrophobicContact CB-CD 4.47Å; C277-K794 HydrophobicContact CB-CG 4.47Å; C277-K794 VanDerWaalsContact SG-CD 3.59Å; C277-K794 WeakPolarHBondContact SG-CE 3.12Å; G278-K794 VanDerWaalsContact C-CG 3.46Å; G278-K794 WeakPolarHBondContact O-CA 3.29Å; G278-K794 WeakPolarHBondContact O-CG 3.47Å
795	T	35	Very low	35.7	Very low	86 Å²	86	123.5 Å²	123.5	53%	0.528	69%	0.692	S	S	.	*			trans	67.7	103.9	150.4	62.5	0	0	0	0	119	S279 A280 K281	S279-T795 PolarHBondContact OG-N 3.48Å; A280-T795 HydrophobicContact CB-CG2 3.52Å; A280-T795 CarbonylContact O-C 3.55Å; A280-T795 VanDerWaalsContact O-CA 3.3Å; A280-T795 WeakPolarHBondContact O-CA 3.39Å; K281-T795 CarbonylContact O-C 3.54Å
796	G	29.7	Very low	35.9	Very low	45 Å²	45	124.2 Å²	124.2	46%	0.464	70%	0.697	S	S	.	*			trans	-172.9	161.5	168.1	0	0	0	0	0	115.9	A280 K281	A280-G796 PolarHBondContact O-N 3.42Å; K281-G796 CarbonylContact O-C 3.6Å; K281-G796 VanDerWaalsContact O-CA 3.23Å; K281-G796 WeakPolarHBondContact O-CA 3.38Å; K281-G796 PolarHBondContact O-N 2.87Å
797	E	26.9	Very low	36.5	Very low	124 Å²	124	119.4 Å²	119.4	58%	0.579	68%	0.677	S	S	*	*			trans	-51.1	135.4	174.4	-55.5	-157.7	139.8	0	0	112	V282 S283	V282-E797 HydrophobicContact CG1-CG 3.76Å; S283-E797 WeakPolarHBondContact CA-OE1 3.43Å; S283-E797 VanDerWaalsContact CB-OE1 3.26Å; S283-E797 WeakPolarHBondContact CB-OE1 3.09Å; S283-E797 VanDerWaalsContact O-CB 3.28Å; S283-E797 WeakPolarHBondContact O-CB 3.33Å; S283-E797 WeakPolarHBondContact O-CG 3.5Å; S283-E797 PolarHBondContact OG-OE1 3.44Å
798	A	34.3	Very low	37.3	Very low	66 Å²	66	118.8 Å²	118.8	55%	0.545	67%	0.669	S	S	.	*			cis	105.7	156.7	39.9	0	0	0	0	0	112.4	S283	S283-A798 WeakPolarHBondContact O-CB 3.28Å
799	E	43	Very low	38.6	Very low	140 Å²	140	118.7 Å²	118.7	65%	0.654	65%	0.653	S	S	*	*			trans	45.8	87.2	163.3	-62.8	-85.4	130	0	0	117.6
800	R	35.3	Very low	39.9	Very low	236 Å²	236	118.9 Å²	118.9	89%	0.891	65%	0.645	S	S	*	*				-166	99.1	126.7	-99.1	145	-169	122.9	-1.3	114
801	S	36.4	Very low	41.4	Very low	111 Å²	111	117 Å²	117	78%	0.776	62%	0.621	S	S	*	*			trans	59.5	108.6	140.1	-52.2	0	0	0	0	121.8
802	S	27.7	Very low	43.1	Very low	127 Å²	127	112.4 Å²	112.4	89%	0.888	60%	0.602	S	S	*	*			trans	-169.3	58.4	142.2	39.6	0	0	0	0	112.4
803	S	39.3	Very low	44.9	Very low	85 Å²	85	106.6 Å²	106.6	59%	0.594	58%	0.58	S	S	*	*			trans	-113.7	5.6	-158.6	45.7	0	0	0	0	118	N805 S806	S803-N805 PolarHBondContact O-N 3.14Å; S803-S806 PolarHBondContact O-N 3.34Å; S803-S806 VanDerWaalsContact O-N 3.09Å
804	A	36.3	Very low	46.5	Very low	111 Å²	111	107.2 Å²	107.2	92%	0.917	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-23.4	179.4	0	0	0	0	0	114.7
805	N	46	Very low	48.4	Very low	108 Å²	108	107 Å²	107	58%	0.578	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	12.8	-178.1	-151.3	-11.5	0	0	0	112.8	S803 R809	S803-N805 PolarHBondContact O-N 3.14Å; N805-R809 PolarHBondContact O-NH1 3.38Å; N805-R809 PolarHBondContact OD1-NH1 3.47Å
806	S	39.2	Very low	50.2	Low	61 Å²	61	108 Å²	108	43%	0.427	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.6	-52.3	174.9	-163.8	0	0	0	0	111.3	S803 D808 R809 E810	S803-S806 PolarHBondContact O-N 3.34Å; S803-S806 VanDerWaalsContact O-N 3.09Å; S806-D808 VanDerWaalsContact C-N 3.28Å; S806-D808 PolarHBondContact O-N 3.31Å; S806-D808 VanDerWaalsContact O-N 3.15Å; S806-R809 CarbonylContact O-C 3.49Å; S806-R809 PolarHBondContact O-N 3.25Å; S806-E810 PolarHBondContact O-N 2.92Å
807	H	46.2	Very low	52.3	Low	108 Å²	108	112.2 Å²	112.2	50%	0.5	57%	0.571	S	S	.	*	H	α-helix	trans	-55	-39.6	-172.6	-171.2	-17.4	0	0	0	112.8	E810 R811	H807-E810 WeakPolarHBondContact O-CB 3.26Å; H807-E810 PolarHBondContact O-N 3.37Å; H807-R811 PolarHBondContact CE1-NH2 2.65Å; H807-R811 VanDerWaalsContact O-CB 3.29Å; H807-R811 WeakPolarHBondContact O-CB 3.27Å; H807-R811 PolarHBondContact O-N 3.12Å
808	D	58	Low	54.4	Low	82 Å²	82	111.9 Å²	111.9	44%	0.439	57%	0.569	S	S	.	*	H	α-helix	trans	-71.8	-37.5	-178.7	-147.9	-131.8	0	0	0	112.4	S806 E810 R811 D812	S806-D808 VanDerWaalsContact C-N 3.28Å; S806-D808 PolarHBondContact O-N 3.31Å; S806-D808 VanDerWaalsContact O-N 3.15Å; D808-E810 PolarHBondContact O-N 3.43Å; D808-R811 PolarHBondContact O-N 3.03Å; D808-R811 IonicContact OD2-CZ 3.2Å; D808-R811 IonicContact OD2-NH1 2.7Å; D808-R811 PolarHBondContact OD2-NH1 2.7Å; D808-D812 WeakPolarHBondContact O-CB 3.44Å; D808-D812 PolarHBondContact O-N 3.21Å
809	R	59.4	Low	56.1	Low	132 Å²	132	114.9 Å²	114.9	50%	0.498	57%	0.566	S	S	.	*	H	α-helix	trans	-71.7	-17.1	169.8	-69.1	-166.1	-179.2	75.8	8	113.8	N805 S806 R813	N805-R809 PolarHBondContact O-NH1 3.38Å; N805-R809 PolarHBondContact OD1-NH1 3.47Å; S806-R809 CarbonylContact O-C 3.49Å; S806-R809 PolarHBondContact O-N 3.25Å; R809-R813 VanDerWaalsContact O-CG 3.29Å; R809-R813 WeakPolarHBondContact O-CG 3.45Å; R809-R813 PolarHBondContact O-N 3.48Å; R809-R813 PolarHBondContact O-NH1 3.21Å
810	E	66.4	Low	57.4	Low	114 Å²	114	111.6 Å²	111.6	53%	0.533	55%	0.553	S	S	.	*	H	α-helix	trans	-81.7	-48.4	173.3	-171.9	142	-134.9	0	0	109.6	S806 H807 D808 D812 R813 E814	S806-E810 PolarHBondContact O-N 2.92Å; H807-E810 WeakPolarHBondContact O-CB 3.26Å; H807-E810 PolarHBondContact O-N 3.37Å; D808-E810 PolarHBondContact O-N 3.43Å; E810-D812 VanDerWaalsContact C-N 3.31Å; E810-D812 PolarHBondContact O-N 2.66Å; E810-R813 CarbonylContact O-C 3.54Å; E810-R813 PolarHBondContact O-N 3.04Å; E810-R813 VanDerWaalsContact O-N 3.09Å; E810-E814 WeakPolarHBondContact O-CB 3.35Å; E810-E814 PolarHBondContact O-N 2.68Å
811	R	69.1	Low	59.2	Low	90 Å²	90	106.7 Å²	106.7	34%	0.34	54%	0.535	S	S	.	.	H	α-helix	trans	-57.5	-38.4	172.9	-167.7	-172.6	-68.8	137.9	-10.2	112.4	H807 D808 E814 R815	H807-R811 PolarHBondContact CE1-NH2 2.65Å; H807-R811 VanDerWaalsContact O-CB 3.29Å; H807-R811 WeakPolarHBondContact O-CB 3.27Å; H807-R811 PolarHBondContact O-N 3.12Å; D808-R811 PolarHBondContact O-N 3.03Å; D808-R811 IonicContact OD2-CZ 3.2Å; D808-R811 IonicContact OD2-NH1 2.7Å; D808-R811 PolarHBondContact OD2-NH1 2.7Å; R811-E814 WeakPolarHBondContact O-CB 3.46Å; R811-E814 PolarHBondContact O-N 3.39Å; R811-R815 WeakPolarHBondContact O-CB 3.44Å; R811-R815 WeakPolarHBondContact O-CD 3.47Å; R811-R815 WeakPolarHBondContact O-CG 3.34Å; R811-R815 PolarHBondContact O-N 3.28Å
812	D	72.2	Confident	60.8	Low	81 Å²	81	107 Å²	107	43%	0.433	52%	0.524	S	S	.	.	H	α-helix	trans	-70.8	-36.2	174.5	-87	-1.2	0	0	0	113.5	D808 E810 E814 R815 E816	D808-D812 WeakPolarHBondContact O-CB 3.44Å; D808-D812 PolarHBondContact O-N 3.21Å; E810-D812 VanDerWaalsContact C-N 3.31Å; E810-D812 PolarHBondContact O-N 2.66Å; D812-E814 VanDerWaalsContact C-N 3.29Å; D812-R815 IonicContact OD1-CZ 3.25Å; D812-R815 IonicContact OD1-NH1 3.65Å; D812-R815 PolarHBondContact OD1-NH1 3.04Å; D812-E816 VanDerWaalsContact O-CB 3.31Å; D812-E816 WeakPolarHBondContact O-CB 3.45Å; D812-E816 PolarHBondContact O-N 3.35Å
813	R	70.6	Confident	62.9	Low	121 Å²	121	107.2 Å²	107.2	46%	0.457	51%	0.509	S	S	.	.	H	α-helix	trans	-74.6	-21.7	171.4	-69.2	-177.7	-164.8	108.2	-16.4	112.5	R809 E810 R817	R809-R813 VanDerWaalsContact O-CG 3.29Å; R809-R813 WeakPolarHBondContact O-CG 3.45Å; R809-R813 PolarHBondContact O-N 3.48Å; R809-R813 PolarHBondContact O-NH1 3.21Å; E810-R813 CarbonylContact O-C 3.54Å; E810-R813 PolarHBondContact O-N 3.04Å; E810-R813 VanDerWaalsContact O-N 3.09Å; R813-R817 WeakPolarHBondContact O-CB 3.4Å; R813-R817 WeakPolarHBondContact O-CD 3.25Å; R813-R817 WeakPolarHBondContact O-CG 3.39Å; R813-R817 PolarHBondContact O-N 3.5Å; R813-R817 VanDerWaalsContact O-N 3.07Å; R813-R817 PolarHBondContact O-NH1 2.78Å
814	E	72.6	Confident	64.2	Low	115 Å²	115	110.3 Å²	110.3	54%	0.537	51%	0.507	S	S	.	.	H	α-helix	trans	-72.4	-52.8	170.2	-173.8	160.5	-125.1	0	0	109.7	E810 R811 D812 E816 R817 E818	E810-E814 WeakPolarHBondContact O-CB 3.35Å; E810-E814 PolarHBondContact O-N 2.68Å; R811-E814 WeakPolarHBondContact O-CB 3.46Å; R811-E814 PolarHBondContact O-N 3.39Å; D812-E814 VanDerWaalsContact C-N 3.29Å; E814-E816 PolarHBondContact O-N 3.08Å; E814-R817 CarbonylContact O-C 3.46Å; E814-R817 PolarHBondContact O-N 3.12Å; E814-E818 VanDerWaalsContact O-CB 3.24Å; E814-E818 WeakPolarHBondContact O-CB 2.87Å; E814-E818 PolarHBondContact O-N 3.39Å
815	R	72.9	Confident	65.3	Low	105 Å²	105	109.9 Å²	109.9	40%	0.396	49%	0.489	S	S	.	.	H	α-helix	trans	-55.1	-32.7	170.3	-70	161.5	176.1	155.7	-5.4	113.3	R811 D812 R819	R811-R815 WeakPolarHBondContact O-CB 3.44Å; R811-R815 WeakPolarHBondContact O-CD 3.47Å; R811-R815 WeakPolarHBondContact O-CG 3.34Å; R811-R815 PolarHBondContact O-N 3.28Å; D812-R815 IonicContact OD1-CZ 3.25Å; D812-R815 IonicContact OD1-NH1 3.65Å; D812-R815 PolarHBondContact OD1-NH1 3.04Å; R815-R819 WeakPolarHBondContact O-CB 3.31Å; R815-R819 WeakPolarHBondContact O-CG 3.43Å; R815-R819 PolarHBondContact O-N 2.89Å; R815-R819 PolarHBondContact O-NE 3.37Å
816	E	72.1	Confident	65.7	Low	107 Å²	107	107.8 Å²	107.8	50%	0.5	48%	0.484	S	S	.	.	H	α-helix	trans	-69.6	-48.9	173.3	-173.3	169.4	-126.6	0	0	111.6	D812 E814 E818 R819 D820	D812-E816 VanDerWaalsContact O-CB 3.31Å; D812-E816 WeakPolarHBondContact O-CB 3.45Å; D812-E816 PolarHBondContact O-N 3.35Å; E814-E816 PolarHBondContact O-N 3.08Å; E816-E818 VanDerWaalsContact C-N 3.29Å; E816-E818 PolarHBondContact O-N 2.89Å; E816-R819 PolarHBondContact O-N 2.8Å; E816-D820 WeakPolarHBondContact O-CB 3.32Å; E816-D820 PolarHBondContact O-N 2.8Å
817	R	73.7	Confident	66.4	Low	133 Å²	133	108 Å²	108	50%	0.502	49%	0.485	S	S	.	.	H	α-helix	trans	-68.6	-25.6	174.9	-68.7	171.1	-164.7	125.7	-11.2	113.6	R813 E814 R821	R813-R817 WeakPolarHBondContact O-CB 3.4Å; R813-R817 WeakPolarHBondContact O-CD 3.25Å; R813-R817 WeakPolarHBondContact O-CG 3.39Å; R813-R817 PolarHBondContact O-N 3.5Å; R813-R817 VanDerWaalsContact O-N 3.07Å; R813-R817 PolarHBondContact O-NH1 2.78Å; E814-R817 CarbonylContact O-C 3.46Å; E814-R817 PolarHBondContact O-N 3.12Å; R817-R821 VanDerWaalsContact O-CG 3.28Å; R817-R821 WeakPolarHBondContact O-CG 3.36Å; R817-R821 PolarHBondContact O-N 3.47Å
818	E	71.5	Confident	67	Low	117 Å²	117	107.3 Å²	107.3	55%	0.547	48%	0.484	S	S	.	.	H	α-helix	trans	-70.3	-53.9	172.8	-176.1	171.9	-130.1	0	0	109.3	E814 E816 D820 R821 E822	E814-E818 VanDerWaalsContact O-CB 3.24Å; E814-E818 WeakPolarHBondContact O-CB 2.87Å; E814-E818 PolarHBondContact O-N 3.39Å; E816-E818 VanDerWaalsContact C-N 3.29Å; E816-E818 PolarHBondContact O-N 2.89Å; E818-D820 PolarHBondContact O-N 3.44Å; E818-R821 CarbonylContact O-C 3.58Å; E818-R821 WeakPolarHBondContact O-CA 2.95Å; E818-R821 WeakPolarHBondContact O-CB 3.46Å; E818-R821 PolarHBondContact O-N 3.38Å; E818-E822 WeakPolarHBondContact O-CB 3.39Å; E818-E822 PolarHBondContact O-N 3.03Å
819	R	71	Confident	67.3	Low	129 Å²	129	104.9 Å²	104.9	49%	0.487	48%	0.479	S	S	.	.	H	α-helix	trans	-58.1	-31.3	171	-74.6	172.9	-67.3	159.3	2.2	113.1	R815 E816 K823	R815-R819 WeakPolarHBondContact O-CB 3.31Å; R815-R819 WeakPolarHBondContact O-CG 3.43Å; R815-R819 PolarHBondContact O-N 2.89Å; R815-R819 PolarHBondContact O-NE 3.37Å; E816-R819 PolarHBondContact O-N 2.8Å; R819-K823 VanDerWaalsContact O-CB 3.31Å; R819-K823 WeakPolarHBondContact O-CB 3.11Å; R819-K823 WeakPolarHBondContact O-CG 3.17Å; R819-K823 PolarHBondContact O-N 3.01Å
820	D	69.8	Low	67.4	Low	70 Å²	70	106 Å²	106	37%	0.374	49%	0.487	S	S	.	.	H	α-helix	trans	-83.8	-11.4	175	-81.3	4.4	0	0	0	114.3	E816 E818 K823 R824	E816-D820 WeakPolarHBondContact O-CB 3.32Å; E816-D820 PolarHBondContact O-N 2.8Å; E818-D820 PolarHBondContact O-N 3.44Å; D820-K823 WeakPolarHBondContact OD1-CD 3.37Å; D820-K823 WeakPolarHBondContact OD1-CE 3.34Å; D820-K823 IonicContact OD1-NZ 2.78Å; D820-K823 PolarHBondContact OD1-NZ 3.5Å; D820-R824 VanDerWaalsContact O-CZ 3.24Å; D820-R824 PolarHBondContact O-NE 2.78Å; D820-R824 PolarHBondContact O-NH2 3.36Å
821	R	72.3	Confident	67.3	Low	134 Å²	134	105 Å²	105	51%	0.506	48%	0.483	S	S	.	.	H	α-helix	trans	-84	-51.6	162.1	-76.8	175	-170.9	113.3	-12	109.5	R817 E818 K823 R824 D825	R817-R821 VanDerWaalsContact O-CG 3.28Å; R817-R821 WeakPolarHBondContact O-CG 3.36Å; R817-R821 PolarHBondContact O-N 3.47Å; E818-R821 CarbonylContact O-C 3.58Å; E818-R821 WeakPolarHBondContact O-CA 2.95Å; E818-R821 WeakPolarHBondContact O-CB 3.46Å; E818-R821 PolarHBondContact O-N 3.38Å; R821-K823 PolarHBondContact O-N 3.2Å; R821-R824 CarbonylContact O-C 3.41Å; R821-R824 VanDerWaalsContact O-CA 3.3Å; R821-R824 WeakPolarHBondContact O-CA 3.15Å; R821-R824 WeakPolarHBondContact O-CB 3.28Å; R821-R824 PolarHBondContact O-N 3.43Å; R821-D825 PolarHBondContact O-N 3.5Å
822	E	70.9	Confident	67.3	Low	118 Å²	118	107 Å²	107	55%	0.551	50%	0.495	S	S	*	.	H	α-helix	trans	-54.3	-35.8	175.2	-172.2	-173.3	-153.2	0	0	112.5	E818 S826	E818-E822 WeakPolarHBondContact O-CB 3.39Å; E818-E822 PolarHBondContact O-N 3.03Å; E822-S826 WeakPolarHBondContact O-CA 3.41Å; E822-S826 WeakPolarHBondContact O-CB 3.33Å; E822-S826 PolarHBondContact O-N 3.42Å; E822-S826 PolarHBondContact O-OG 3.03Å
823	K	70.6	Confident	67.1	Low	131 Å²	131	110 Å²	110	57%	0.57	51%	0.505	S	S	*	.	H	α-helix	trans	-64.9	-38.7	169.2	-80.5	169.7	-158.5	163.1	0	113.3	R819 D820 R821 S826 S827	R819-K823 VanDerWaalsContact O-CB 3.31Å; R819-K823 WeakPolarHBondContact O-CB 3.11Å; R819-K823 WeakPolarHBondContact O-CG 3.17Å; R819-K823 PolarHBondContact O-N 3.01Å; D820-K823 WeakPolarHBondContact OD1-CD 3.37Å; D820-K823 WeakPolarHBondContact OD1-CE 3.34Å; D820-K823 IonicContact OD1-NZ 2.78Å; D820-K823 PolarHBondContact OD1-NZ 3.5Å; R821-K823 PolarHBondContact O-N 3.2Å; K823-S826 CarbonylContact O-C 3.57Å; K823-S827 PolarHBondContact O-N 3.09Å; K823-S827 PolarHBondContact O-OG 2.68Å
824	R	67.1	Low	67.1	Low	150 Å²	150	109.3 Å²	109.3	57%	0.566	51%	0.51	S	S	*	.	H	α-helix	trans	-72.2	-40.5	177.2	-95.5	174	-67.9	139	2.6	111.3	D820 R821 S826 S827 I828	D820-R824 VanDerWaalsContact O-CZ 3.24Å; D820-R824 PolarHBondContact O-NE 2.78Å; D820-R824 PolarHBondContact O-NH2 3.36Å; R821-R824 CarbonylContact O-C 3.41Å; R821-R824 VanDerWaalsContact O-CA 3.3Å; R821-R824 WeakPolarHBondContact O-CA 3.15Å; R821-R824 WeakPolarHBondContact O-CB 3.28Å; R821-R824 PolarHBondContact O-N 3.43Å; R824-S826 VanDerWaalsContact C-N 3.34Å; R824-S827 VanDerWaalsContact CA-OG 3.3Å; R824-S827 WeakPolarHBondContact CA-OG 3.31Å; R824-S827 CarbonylContact O-C 3.58Å; R824-S827 WeakPolarHBondContact O-CA 3.26Å; R824-S827 PolarHBondContact O-N 2.65Å; R824-S827 VanDerWaalsContact O-N 3.1Å; R824-S827 PolarHBondContact O-OG 2.92Å; R824-I828 PolarHBondContact O-N 3.35Å
825	D	59.4	Low	66.9	Low	101 Å²	101	109.6 Å²	109.6	54%	0.54	51%	0.509	S	S	.	.	H	α-helix	trans	-71.7	-31.4	174.6	-57.2	-36.9	0	0	0	110.9	R821 S827 I828 G829	R821-D825 PolarHBondContact O-N 3.5Å; D825-S827 VanDerWaalsContact C-N 3.31Å; D825-S827 PolarHBondContact O-N 3.13Å; D825-I828 PolarHBondContact O-N 2.71Å; D825-G829 PolarHBondContact O-N 3.19Å
826	S	53.7	Low	66.7	Low	65 Å²	65	110.2 Å²	110.2	46%	0.455	52%	0.521	S	S	.	.	H	α-helix	trans	-72.4	-20.5	167.9	-66.4	0	0	0	0	113.6	E822 K823 R824 K830	E822-S826 WeakPolarHBondContact O-CA 3.41Å; E822-S826 WeakPolarHBondContact O-CB 3.33Å; E822-S826 PolarHBondContact O-N 3.42Å; E822-S826 PolarHBondContact O-OG 3.03Å; K823-S826 CarbonylContact O-C 3.57Å; R824-S826 VanDerWaalsContact C-N 3.34Å; S826-K830 WeakPolarHBondContact O-CB 3.48Å; S826-K830 WeakPolarHBondContact O-CD 3.41Å; S826-K830 VanDerWaalsContact O-CG 3.23Å; S826-K830 WeakPolarHBondContact O-CG 3.3Å
827	S	55.4	Low	66.7	Low	64 Å²	64	112.8 Å²	112.8	45%	0.448	53%	0.526	S	S	.	.	H	α-helix	trans	-83.3	-36.7	167.3	58.1	0	0	0	0	111.7	K823 R824 D825 K830 E831	K823-S827 PolarHBondContact O-N 3.09Å; K823-S827 PolarHBondContact O-OG 2.68Å; R824-S827 VanDerWaalsContact CA-OG 3.3Å; R824-S827 WeakPolarHBondContact CA-OG 3.31Å; R824-S827 CarbonylContact O-C 3.58Å; R824-S827 WeakPolarHBondContact O-CA 3.26Å; R824-S827 PolarHBondContact O-N 2.65Å; R824-S827 VanDerWaalsContact O-N 3.1Å; R824-S827 PolarHBondContact O-OG 2.92Å; D825-S827 VanDerWaalsContact C-N 3.31Å; D825-S827 PolarHBondContact O-N 3.13Å; S827-K830 CarbonylContact O-C 3.33Å; S827-K830 WeakPolarHBondContact O-CB 3.46Å; S827-K830 PolarHBondContact O-N 3.47Å; S827-E831 PolarHBondContact O-N 3.4Å
828	I	58.2	Low	65.9	Low	94 Å²	94	111.1 Å²	111.1	48%	0.482	53%	0.527	S	S	.	.	H	α-helix	trans	-73.1	-42.9	178.9	-142.1	173.2	0	0	0	111.2	R824 D825 K830 E831 E832	R824-I828 PolarHBondContact O-N 3.35Å; D825-I828 PolarHBondContact O-N 2.71Å; I828-K830 PolarHBondContact O-N 3.47Å; I828-K830 VanDerWaalsContact O-N 3.17Å; I828-E831 HydrophobicContact CG1-CG 4.14Å; I828-E831 WeakPolarHBondContact O-CG 3.44Å; I828-E831 PolarHBondContact O-N 2.93Å; I828-E831 VanDerWaalsContact O-N 3.14Å; I828-E832 VanDerWaalsContact O-CB 3.22Å; I828-E832 WeakPolarHBondContact O-CB 3.41Å; I828-E832 PolarHBondContact O-N 2.81Å
829	G	63.9	Low	65.6	Low	32 Å²	32	108.8 Å²	108.8	33%	0.33	52%	0.523	S	S	.	.	H	α-helix	trans	-69.5	-7.8	170.3	0	0	0	0	0	113.9	D825 K833	D825-G829 PolarHBondContact O-N 3.19Å; G829-K833 VanDerWaalsContact O-CB 3.25Å; G829-K833 WeakPolarHBondContact O-CB 3.42Å
830	K	62.5	Low	65.1	Low	154 Å²	154	106.1 Å²	106.1	67%	0.67	52%	0.522	S	S	*	.	H	α-helix	trans	-89.5	-47	163.5	-85.8	179.1	-179.4	176	0	111.7	S826 S827 I828 E832 K833 D834	S826-K830 WeakPolarHBondContact O-CB 3.48Å; S826-K830 WeakPolarHBondContact O-CD 3.41Å; S826-K830 VanDerWaalsContact O-CG 3.23Å; S826-K830 WeakPolarHBondContact O-CG 3.3Å; S827-K830 CarbonylContact O-C 3.33Å; S827-K830 WeakPolarHBondContact O-CB 3.46Å; S827-K830 PolarHBondContact O-N 3.47Å; I828-K830 PolarHBondContact O-N 3.47Å; I828-K830 VanDerWaalsContact O-N 3.17Å; K830-E832 VanDerWaalsContact C-N 3.27Å; K830-E832 PolarHBondContact O-N 2.94Å; K830-K833 PolarHBondContact O-N 3.49Å; K830-D834 WeakPolarHBondContact O-CB 3.2Å; K830-D834 PolarHBondContact O-N 3.08Å
831	E	64.8	Low	64.6	Low	95 Å²	95	106.6 Å²	106.6	44%	0.444	52%	0.524	S	S	.	.	H	α-helix	trans	-63.6	-35.2	178.2	90.4	171.6	-118	0	0	111.7	S827 I828 D834 K835	S827-E831 PolarHBondContact O-N 3.4Å; I828-E831 HydrophobicContact CG1-CG 4.14Å; I828-E831 WeakPolarHBondContact O-CG 3.44Å; I828-E831 PolarHBondContact O-N 2.93Å; I828-E831 VanDerWaalsContact O-N 3.14Å; E831-D834 PolarHBondContact O-N 3.41Å; E831-K835 VanDerWaalsContact O-CB 3.22Å; E831-K835 WeakPolarHBondContact O-CB 3.47Å; E831-K835 VanDerWaalsContact O-CG 3.28Å; E831-K835 WeakPolarHBondContact O-CG 3.48Å; E831-K835 PolarHBondContact O-N 3.19Å; E831-K835 IonicContact OE1-NZ 2.68Å; E831-K835 PolarHBondContact OE1-NZ 2.74Å
832	E	67.7	Low	63.8	Low	130 Å²	130	109.2 Å²	109.2	61%	0.607	53%	0.534	S	S	*	.	H	α-helix	trans	-64.9	-48.1	174.1	-179.1	-179.6	-146.5	0	0	110.3	I828 K830 D834 K835 D836	I828-E832 VanDerWaalsContact O-CB 3.22Å; I828-E832 WeakPolarHBondContact O-CB 3.41Å; I828-E832 PolarHBondContact O-N 2.81Å; K830-E832 VanDerWaalsContact C-N 3.27Å; K830-E832 PolarHBondContact O-N 2.94Å; E832-D834 PolarHBondContact O-N 3Å; E832-K835 CarbonylContact O-C 3.56Å; E832-K835 WeakPolarHBondContact O-CB 3.19Å; E832-K835 PolarHBondContact O-N 3.2Å; E832-D836 WeakPolarHBondContact O-CB 3.42Å; E832-D836 PolarHBondContact O-N 2.95Å
833	K	68.6	Low	62.7	Low	145 Å²	145	110.5 Å²	110.5	63%	0.63	55%	0.545	S	S	*	.	H	α-helix	trans	-70.6	-19	179.2	-166.1	166.1	-167.5	157.2	0	114	G829 K830	G829-K833 VanDerWaalsContact O-CB 3.25Å; G829-K833 WeakPolarHBondContact O-CB 3.42Å; K830-K833 PolarHBondContact O-N 3.49Å
834	D	69.8	Low	62	Low	106 Å²	106	112.8 Å²	112.8	57%	0.567	55%	0.55	S	S	*	.	H	α-helix	trans	-87.7	-39.2	169.4	-129.9	36	0	0	0	111.1	K830 E831 E832 D836 R837 D838	K830-D834 WeakPolarHBondContact O-CB 3.2Å; K830-D834 PolarHBondContact O-N 3.08Å; E831-D834 PolarHBondContact O-N 3.41Å; E832-D834 PolarHBondContact O-N 3Å; D834-D836 VanDerWaalsContact C-N 3.28Å; D834-D836 PolarHBondContact O-N 3.06Å; D834-R837 CarbonylContact O-C 3.25Å; D834-R837 WeakPolarHBondContact O-CA 3.41Å; D834-R837 WeakPolarHBondContact O-CB 3.38Å; D834-R837 PolarHBondContact O-N 2.84Å; D834-R837 VanDerWaalsContact O-N 3.11Å; D834-D838 PolarHBondContact O-N 3.43Å
835	K	68.6	Low	61	Low	121 Å²	121	112.1 Å²	112.1	53%	0.526	55%	0.553	S	S	.	*	H	α-helix	trans	-58.1	-37.6	169	-86.2	167.8	173.8	163.4	0	112.2	E831 E832 R837 D838 S839	E831-K835 VanDerWaalsContact O-CB 3.22Å; E831-K835 WeakPolarHBondContact O-CB 3.47Å; E831-K835 VanDerWaalsContact O-CG 3.28Å; E831-K835 WeakPolarHBondContact O-CG 3.48Å; E831-K835 PolarHBondContact O-N 3.19Å; E831-K835 IonicContact OE1-NZ 2.68Å; E831-K835 PolarHBondContact OE1-NZ 2.74Å; E832-K835 CarbonylContact O-C 3.56Å; E832-K835 WeakPolarHBondContact O-CB 3.19Å; E832-K835 PolarHBondContact O-N 3.2Å; K835-R837 VanDerWaalsContact C-N 3.34Å; K835-D838 PolarHBondContact O-N 3.3Å; K835-S839 WeakPolarHBondContact O-CB 3.46Å; K835-S839 PolarHBondContact O-N 2.85Å; K835-S839 PolarHBondContact O-OG 3.2Å
836	D	70	Confident	59.9	Low	118 Å²	118	112.4 Å²	112.4	63%	0.631	56%	0.562	S	S	*	*	H	α-helix	trans	-67.1	-36.9	175.6	-115.3	12.3	0	0	0	111.4	E832 D834 V840	E832-D836 WeakPolarHBondContact O-CB 3.42Å; E832-D836 PolarHBondContact O-N 2.95Å; D834-D836 VanDerWaalsContact C-N 3.28Å; D834-D836 PolarHBondContact O-N 3.06Å; D836-V840 WeakPolarHBondContact O-CB 3.36Å; D836-V840 PolarHBondContact O-N 2.99Å
837	R	70.7	Confident	59.2	Low	161 Å²	161	116.9 Å²	116.9	61%	0.608	58%	0.581	S	S	*	*	H	α-helix	trans	-66.9	-51.4	170.8	-83.9	-167.8	167.6	107.1	-0.6	111.7	D834 K835 S839 V840 D841	D834-R837 CarbonylContact O-C 3.25Å; D834-R837 WeakPolarHBondContact O-CA 3.41Å; D834-R837 WeakPolarHBondContact O-CB 3.38Å; D834-R837 PolarHBondContact O-N 2.84Å; D834-R837 VanDerWaalsContact O-N 3.11Å; K835-R837 VanDerWaalsContact C-N 3.34Å; R837-S839 PolarHBondContact O-N 3.22Å; R837-V840 WeakPolarHBondContact O-CG1 3.49Å; R837-V840 PolarHBondContact O-N 3.41Å; R837-D841 PolarHBondContact O-N 2.84Å
838	D	58	Low	58.4	Low	98 Å²	98	125.3 Å²	125.3	52%	0.524	60%	0.603	S	S	.	*	H	α-helix	trans	-63.6	-32.8	-178.9	-155.7	-94.5	0	0	0	111.2	D834 K835 R842	D834-D838 PolarHBondContact O-N 3.43Å; K835-D838 PolarHBondContact O-N 3.3Å; D838-R842 VanDerWaalsContact O-CB 3.25Å; D838-R842 WeakPolarHBondContact O-CB 3.45Å; D838-R842 WeakPolarHBondContact O-CG 2.94Å; D838-R842 PolarHBondContact O-N 3.28Å; D838-R842 IonicContact OD1-NE 2.68Å
839	S	64.5	Low	57.1	Low	68 Å²	68	126.4 Å²	126.4	48%	0.476	62%	0.619	S	S	.	*	H	α-helix	trans	-70.9	-42.3	173.5	-61.2	0	0	0	0	112.6	K835 R837 D841 R842 N843	K835-S839 WeakPolarHBondContact O-CB 3.46Å; K835-S839 PolarHBondContact O-N 2.85Å; K835-S839 PolarHBondContact O-OG 3.2Å; R837-S839 PolarHBondContact O-N 3.22Å; S839-D841 VanDerWaalsContact C-N 3.29Å; S839-D841 PolarHBondContact O-N 3.01Å; S839-R842 PolarHBondContact O-N 2.73Å; S839-N843 VanDerWaalsContact O-CB 3.27Å; S839-N843 WeakPolarHBondContact O-CB 3.48Å; S839-N843 PolarHBondContact O-N 2.83Å
840	V	61.3	Low	55.8	Low	74 Å²	74	130 Å²	130	45%	0.448	64%	0.639	S	S	.	*	H	α-helix	trans	-71.1	-24.8	177.3	91	0	0	0	0	112.7	D836 R837	D836-V840 WeakPolarHBondContact O-CB 3.36Å; D836-V840 PolarHBondContact O-N 2.99Å; R837-V840 WeakPolarHBondContact O-CG1 3.49Å; R837-V840 PolarHBondContact O-N 3.41Å
841	D	59.3	Low	54.7	Low	80 Å²	80	128.7 Å²	128.7	43%	0.428	65%	0.646	S	S	.	*	H	α-helix	trans	-81.8	-43.3	169.7	-96	-76.6	0	0	0	112.3	R837 S839 N843 R844 H845	R837-D841 PolarHBondContact O-N 2.84Å; S839-D841 VanDerWaalsContact C-N 3.29Å; S839-D841 PolarHBondContact O-N 3.01Å; D841-N843 PolarHBondContact O-N 3.16Å; D841-R844 PolarHBondContact O-N 2.92Å; D841-H845 PolarHBondContact O-CE1 3.28Å; D841-H845 PolarHBondContact O-ND1 2.83Å; D841-H845 IonicContact OD1-CE1 3.48Å
842	R	55.1	Low	52.9	Low	188 Å²	188	128.5 Å²	128.5	71%	0.709	66%	0.661	S	S	*	*	H	α-helix	trans	-55.1	-40.6	172.1	-86.9	-176.3	165.8	-147.9	-6.8	112.1	D838 S839 R844 H845	D838-R842 VanDerWaalsContact O-CB 3.25Å; D838-R842 WeakPolarHBondContact O-CB 3.45Å; D838-R842 WeakPolarHBondContact O-CG 2.94Å; D838-R842 PolarHBondContact O-N 3.28Å; D838-R842 IonicContact OD1-NE 2.68Å; S839-R842 PolarHBondContact O-N 2.73Å; R842-R844 PolarHBondContact O-N 2.87Å; R842-R844 VanDerWaalsContact O-N 3.11Å; R842-H845 PolarHBondContact O-N 3.44Å
843	N	48.3	Very low	51.2	Low	146 Å²	146	127.9 Å²	127.9	78%	0.781	67%	0.671	S	S	*	*	H	α-helix	trans	-70	-1.4	178.7	-158.6	14.6	0	0	0	114.1	S839 D841	S839-N843 VanDerWaalsContact O-CB 3.27Å; S839-N843 WeakPolarHBondContact O-CB 3.48Å; S839-N843 PolarHBondContact O-N 2.83Å; D841-N843 PolarHBondContact O-N 3.16Å
844	R	55.1	Low	49.3	Very low	178 Å²	178	125.1 Å²	125.1	67%	0.672	68%	0.675	S	S	*	*	H	α-helix	trans	-103	-11.7	173.4	-75	-177.8	173.6	135.7	4.8	115	D841 R842	D841-R844 PolarHBondContact O-N 2.92Å; R842-R844 PolarHBondContact O-N 2.87Å; R842-R844 VanDerWaalsContact O-N 3.11Å
845	H	46.3	Very low	47.8	Very low	137 Å²	137	126.1 Å²	126.1	63%	0.634	69%	0.688	S	S	*	*	H	α-helix	trans	-110.6	-17.2	-169.4	-62.1	105.4	0	0	0	114.5	D841 R842 N847	D841-H845 PolarHBondContact O-CE1 3.28Å; D841-H845 PolarHBondContact O-ND1 2.83Å; D841-H845 IonicContact OD1-CE1 3.48Å; R842-H845 PolarHBondContact O-N 3.44Å; H845-N847 PolarHBondContact O-N 3.38Å
846	S	36.1	Very low	46.3	Very low	106 Å²	106	126.8 Å²	126.8	74%	0.741	70%	0.702	S	S	*	*			trans	-91.7	69.8	-179.8	-160.8	0	0	0	0	113.3
847	N	38.8	Very low	44.6	Very low	160 Å²	160	126.1 Å²	126.1	86%	0.856	71%	0.706	S	S	*	*	S	Bend	trans	-157.9	35	165.4	-111.4	-43.2	0	0	0	114.4	H845	H845-N847 PolarHBondContact O-N 3.38Å
848	R	38.9	Very low	42.8	Very low	241 Å²	241	128.2 Å²	128.2	91%	0.909	72%	0.716	S	S	*	*			trans	-171	98.4	158.9	-110.6	163.7	-171.3	-83.9	-1.5	113.7
849	S	31.6	Very low	41.6	Very low	116 Å²	116	130.6 Å²	130.6	81%	0.811	72%	0.724	S	S	*	*			trans	-148.1	133.9	160.6	-58.7	0	0	0	0	107.3
850	S	36.5	Very low	39.9	Very low	108 Å²	108	134.3 Å²	134.3	76%	0.755	74%	0.737	S	S	*	*			cis	-140.1	-150	-17.7	-69.9	0	0	0	0	107.7
851	P	38.3	Very low	38.3	Very low	126 Å²	126	135.8 Å²	135.8	82%	0.818	75%	0.75	S	S	*	*				-142.8	170.4	74.1	38.5	-21.3	0	0	0	115.1
852	A	27.6	Very low	36.8	Very low	91 Å²	91	137 Å²	137	75%	0.752	77%	0.765	S	S	*	*			trans	-89.5	178.6	164.5	0	0	0	0	0	109.6
853	S	32.6	Very low	35.7	Very low	117 Å²	117	134.8 Å²	134.8	82%	0.818	77%	0.767	S	S	*	*			cis	-164.4	-164.5	7.2	-150.4	0	0	0	0	110.7
854	A	28.8	Very low	34.8	Very low	87 Å²	87	133.6 Å²	133.6	72%	0.719	76%	0.759	S	S	*	*			trans	78.7	172.7	160.3	0	0	0	0	0	117.9
855	P	37.7	Very low	33.5	Very low	127 Å²	127	134.9 Å²	134.9	83%	0.825	76%	0.764	S	S	*	*				-128.1	-171.6	-63.9	38.8	-26.2	0	0	0	113.8
856	V	36.8	Very low	32.5	Very low	135 Å²	135	133.4 Å²	133.4	82%	0.818	77%	0.769	S	S	*	*			trans	-69.8	148.1	179.3	175.3	0	0	0	0	112.6
857	S	34.8	Very low	32.1	Very low	104 Å²	104	135.7 Å²	135.7	73%	0.727	77%	0.773	S	S	*	*			trans	-94	117.5	-168.5	57.9	0	0	0	0	116.2
858	Y	33.1	Very low	31.6	Very low	205 Å²	205	132 Å²	132	80%	0.804	76%	0.759	S	S	*	*			trans	-157.9	150	156.2	-79.3	-83.9	0	0	0	105.8
859	Q	32.2	Very low	31.2	Very low	148 Å²	148	127.4 Å²	127.4	69%	0.692	75%	0.748	S	S	*	*			cis	-165.3	156.2	-22.5	-131.2	-174.2	20.5	0	0	106.4
860	I	28.3	Very low	31	Very low	147 Å²	147	127.6 Å²	127.6	75%	0.754	74%	0.74	S	S	*	*			trans	69.4	133.1	155.8	-59.6	164.5	0	0	0	119.6
861	S	28.5	Very low	30.5	Very low	104 Å²	104	127.4 Å²	127.4	73%	0.727	74%	0.739	S	S	*	*			trans	-48.1	151.3	176.4	-39.3	0	0	0	0	118.8
862	S	27	Very low	30	Very low	107 Å²	107	127.1 Å²	127.1	75%	0.748	74%	0.74	S	S	*	*				166.2	153.9	112.4	-76.5	0	0	0	0	115.2
863	L	33.1	Very low	30.2	Very low	141 Å²	141	129.5 Å²	129.5	74%	0.738	74%	0.74	S	S	*	*			trans	53.5	128.6	164.6	-85.4	56.6	0	0	0	118.1
864	I	28.8	Very low	30	Very low	120 Å²	120	126.9 Å²	126.9	62%	0.615	72%	0.721	S	S	*	*			cis	84.8	111.5	39	-59.9	170.1	0	0	0	114.4
865	R	28.1	Very low	30	Very low	206 Å²	206	123.9 Å²	123.9	78%	0.777	70%	0.699	S	S	*	*			trans	76.6	139.3	161.5	-70.3	173.4	-51.1	-117.4	-3.7	121.2
866	S	24.8	Very low	29.7	Very low	106 Å²	106	123.6 Å²	123.6	74%	0.741	68%	0.682	S	S	*	*			trans	72.2	133.5	145.9	-62.1	0	0	0	0	118.3
867	N	29	Very low	29.4	Very low	153 Å²	153	122.2 Å²	122.2	82%	0.818	67%	0.666	S	S	*	*				71.5	124	50.7	-174.7	82.4	0	0	0	111.8
868	S	28.1	Very low	29.2	Very low	82 Å²	82	123.4 Å²	123.4	57%	0.573	66%	0.66	S	S	*	*			cis	-133.1	-159.9	9.2	50.1	0	0	0	0	110.5
869	Q	29	Very low	29.3	Very low	145 Å²	145	119.9 Å²	119.9	68%	0.678	67%	0.665	S	S	*	*			cis	-171.1	133.1	43.5	-173	72.2	3.4	0	0	110.9
870	N	27.8	Very low	29.2	Very low	120 Å²	120	116 Å²	116	64%	0.642	66%	0.664	S	S	*	*			trans	-15	147.3	170.5	35.5	76.6	0	0	0	121.5
871	S	26	Very low	30.1	Very low	105 Å²	105	114.7 Å²	114.7	73%	0.734	67%	0.669	S	S	*	*				-169.9	132.1	80.5	30.1	0	0	0	0	112.3
872	S	28.3	Very low	30.7	Very low	119 Å²	119	115 Å²	115	83%	0.832	67%	0.666	S	S	*	*				82.6	136.6	93.8	-52.7	0	0	0	0	115.5
873	D	30.9	Very low	31.5	Very low	141 Å²	141	114.5 Å²	114.5	75%	0.754	66%	0.655	S	S	*	*			cis	-166.6	151.7	-10.9	177.6	40.7	0	0	0	113.8
874	S	29.7	Very low	32.3	Very low	62 Å²	62	119.1 Å²	119.1	43%	0.434	66%	0.662	S	S	.	*			trans	61.3	162.2	152	-78.5	0	0	0	0	126.9	H220 S221	H220-S874 CarbonylContact C-O 3.5Å; H220-S874 VanDerWaalsContact CB-C 3.48Å; H220-S874 WeakPolarHBondContact ND1-CA 3.16Å; S221-S874 PolarHBondContact N-O 3.41Å
875	G	28.4	Very low	33	Very low	24 Å²	24	118.4 Å²	118.4	25%	0.247	66%	0.664	C	S	.	*			trans	126.1	81.3	170.8	0	0	0	0	0	120.7	A219 H220 S221	A219-G875 CarbonylContact O-C 3.57Å; A219-G875 VanDerWaalsContact O-C 3.25Å; A219-G875 VanDerWaalsContact O-O 3.07Å; H220-G875 CarbonylContact C-O 3.48Å; H220-G875 WeakPolarHBondContact CA-O 3.21Å; H220-G875 PolarHBondContact ND1-N 3.24Å; H220-G875 VanDerWaalsContact ND1-N 3.15Å; S221-G875 PolarHBondContact N-O 3.38Å
876	R	31	Very low	34	Very low	122 Å²	122	117.3 Å²	117.3	46%	0.46	66%	0.66	S	S	.	*			trans	-78.1	162.6	179	-77.9	175.6	174.9	-131.1	7.2	113.5	E216 S217 S218 A219	E216-R876 IonicContact OE1-CZ 3.52Å; E216-R876 IonicContact OE1-NH1 2.72Å; E216-R876 PolarHBondContact OE1-NH1 2.92Å; E216-R876 IonicContact OE1-NH2 2.95Å; E216-R876 PolarHBondContact OE1-NH2 3.36Å; S217-R876 PolarHBondContact OG-NH2 2.82Å; S218-R876 PolarHBondContact OG-NE 2.91Å; S218-R876 PolarHBondContact OG-NH2 2.88Å; A219-R876 VanDerWaalsContact O-CA 3.23Å; A219-R876 WeakPolarHBondContact O-CA 3.24Å; A219-R876 WeakPolarHBondContact O-CG 3.48Å; A219-R876 PolarHBondContact O-N 3.48Å
877	H	30.1	Very low	35	Very low	105 Å²	105	119.3 Å²	119.3	49%	0.486	66%	0.657	S	S	.	*			cis	-153.2	152.6	6.5	-111.1	-39.9	0	0	0	110
878	H	31.1	Very low	36.2	Very low	129 Å²	129	115.2 Å²	115.2	60%	0.597	65%	0.645	S	S	*	*				52.6	119.7	89.9	-73.4	22.7	0	0	0	120.4
879	S	35.8	Very low	37.2	Very low	131 Å²	131	118 Å²	118	92%	0.916	65%	0.648	S	S	*	*			trans	75.9	149.7	147.5	-73	0	0	0	0	123.2
880	G	29.7	Very low	38.5	Very low	66 Å²	66	118.3 Å²	118.3	68%	0.68	65%	0.648	S	S	*	*			trans	111	98	-176.8	0	0	0	0	0	111.7
881	S	46.8	Very low	39.5	Very low	121 Å²	121	117.5 Å²	117.5	85%	0.846	64%	0.64	S	S	*	*			cis	68.8	67.3	22.2	-170.1	0	0	0	0	115.4
882	V	40.7	Very low	40.5	Very low	110 Å²	110	117.9 Å²	117.9	67%	0.667	63%	0.633	S	S	*	*			trans	-141.1	-44.4	166.2	-94.7	0	0	0	0	114.6	R884 V885	V882-R884 PolarHBondContact O-N 2.87Å; V882-V885 PolarHBondContact O-N 3.47Å
883	D	44.4	Very low	41.5	Very low	97 Å²	97	117 Å²	117	52%	0.519	62%	0.619	S	S	.	*	H	α-helix	trans	-72.3	-27.8	-161.9	-80.4	-70.8	0	0	0	117.8	V885 R886	D883-V885 PolarHBondContact O-N 3.45Å; D883-R886 PolarHBondContact O-N 3.27Å; D883-R886 VanDerWaalsContact O-N 3.16Å; D883-R886 IonicContact OD1-CZ 2.45Å; D883-R886 IonicContact OD1-NE 3.41Å; D883-R886 PolarHBondContact OD1-NE 3.07Å; D883-R886 IonicContact OD1-NH2 3.48Å; D883-R886 PolarHBondContact OD1-NH2 2.88Å
884	R	48.9	Very low	42.1	Very low	237 Å²	237	116.3 Å²	116.3	89%	0.894	61%	0.611	S	S	*	*	H	α-helix	trans	-76.1	-0.5	-179.4	-82.6	-167.4	172.2	-177.5	-1	115.6	V882	V882-R884 PolarHBondContact O-N 2.87Å
885	V	43.6	Very low	42.9	Very low	106 Å²	106	120.3 Å²	120.3	64%	0.642	62%	0.616	S	S	*	*	H	α-helix	trans	-87.9	-30.3	167.8	178.4	0	0	0	0	111.1	V882 D883 E887	V882-V885 PolarHBondContact O-N 3.47Å; D883-V885 PolarHBondContact O-N 3.45Å; V885-E887 PolarHBondContact O-N 3.43Å
886	R	49.8	Very low	43.4	Very low	183 Å²	183	125.3 Å²	125.3	69%	0.691	63%	0.634	S	S	*	*	H	α-helix	trans	-77.6	-19.6	-170.3	-177.1	157.2	58.7	169.2	-2.7	114.7	D883	D883-R886 PolarHBondContact O-N 3.27Å; D883-R886 VanDerWaalsContact O-N 3.16Å; D883-R886 IonicContact OD1-CZ 2.45Å; D883-R886 IonicContact OD1-NE 3.41Å; D883-R886 PolarHBondContact OD1-NE 3.07Å; D883-R886 IonicContact OD1-NH2 3.48Å; D883-R886 PolarHBondContact OD1-NH2 2.88Å
887	E	46.6	Very low	44.1	Very low	148 Å²	148	128 Å²	128	69%	0.692	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-34	178.3	-164.5	160.9	-131.5	0	0	112.4	V885 E889 K890 E891	V885-E887 PolarHBondContact O-N 3.43Å; E887-E889 PolarHBondContact O-N 2.84Å; E887-K890 WeakPolarHBondContact O-CB 3.34Å; E887-K890 PolarHBondContact O-N 2.96Å; E887-K890 VanDerWaalsContact O-N 3.15Å; E887-E891 PolarHBondContact O-N 2.83Å
888	A	52.8	Low	44.4	Very low	67 Å²	67	131.5 Å²	131.5	55%	0.554	66%	0.66	S	S	*	*	H	α-helix	trans	-67.3	-35	-178.2	0	0	0	0	0	113.6	K890 L892	A888-K890 VanDerWaalsContact C-N 3.32Å; A888-L892 PolarHBondContact O-N 3.03Å
889	E	48.8	Very low	44.9	Very low	139 Å²	139	130.1 Å²	130.1	65%	0.65	67%	0.665	S	S	*	*	H	α-helix	trans	-68.1	-33.1	173.1	-66.8	-168	134.3	0	0	112	E887 L892 L893	E887-E889 PolarHBondContact O-N 2.84Å; E889-L892 WeakPolarHBondContact O-CB 3.3Å; E889-L892 PolarHBondContact O-N 3.21Å; E889-L893 WeakPolarHBondContact O-CB 3.47Å; E889-L893 PolarHBondContact O-N 3.34Å
890	K	56.8	Low	44.7	Very low	153 Å²	153	127.4 Å²	127.4	67%	0.665	65%	0.646	S	S	*	*	H	α-helix	trans	-66.8	-43.6	-178.3	-165.2	-173.7	176.2	-162.8	0	111.7	E887 A888 L892 L893 E894	E887-K890 WeakPolarHBondContact O-CB 3.34Å; E887-K890 PolarHBondContact O-N 2.96Å; E887-K890 VanDerWaalsContact O-N 3.15Å; A888-K890 VanDerWaalsContact C-N 3.32Å; K890-L892 VanDerWaalsContact C-N 3.27Å; K890-L892 PolarHBondContact O-N 3.02Å; K890-L893 PolarHBondContact O-N 3.22Å; K890-E894 PolarHBondContact O-N 2.97Å; K890-E894 VanDerWaalsContact O-N 3.15Å
891	E	49.8	Very low	44.7	Very low	103 Å²	103	132 Å²	132	48%	0.481	65%	0.654	S	S	.	*	H	α-helix	trans	-69.4	-23.5	177.9	-143.7	-155.6	162.9	0	0	112.8	E887 R895	E887-E891 PolarHBondContact O-N 2.83Å; E891-R895 PolarHBondContact O-NE 3.42Å; E891-R895 IonicContact OE1-CZ 2.99Å; E891-R895 VanDerWaalsContact OE1-CZ 3.27Å; E891-R895 IonicContact OE1-NH1 3.92Å; E891-R895 PolarHBondContact OE1-NH1 3.44Å; E891-R895 IonicContact OE1-NH2 3.15Å; E891-R895 PolarHBondContact OE1-NH2 3.34Å; E891-R895 IonicContact OE2-CZ 3.71Å; E891-R895 IonicContact OE2-NH1 3.77Å; E891-R895 IonicContact OE2-NH2 3.42Å; E891-R895 PolarHBondContact OE2-NH2 3.46Å
892	L	46.4	Very low	44	Very low	113 Å²	113	130.5 Å²	130.5	59%	0.592	65%	0.649	S	S	*	*	H	α-helix	trans	-75.6	-41.6	170.8	-164.1	79.4	0	0	0	111.4	A888 E889 K890 E894 R895 Q896	A888-L892 PolarHBondContact O-N 3.03Å; E889-L892 WeakPolarHBondContact O-CB 3.3Å; E889-L892 PolarHBondContact O-N 3.21Å; K890-L892 VanDerWaalsContact C-N 3.27Å; K890-L892 PolarHBondContact O-N 3.02Å; L892-E894 VanDerWaalsContact C-N 3.27Å; L892-E894 PolarHBondContact O-N 3.39Å; L892-R895 PolarHBondContact O-N 3.21Å; L892-Q896 PolarHBondContact O-N 3.18Å; L892-Q896 VanDerWaalsContact O-N 3.14Å
893	L	48.9	Very low	44	Very low	100 Å²	100	132.7 Å²	132.7	52%	0.524	66%	0.657	S	S	.	*	H	α-helix	trans	-73.3	-15.7	-177.6	-137.4	75.8	0	0	0	114.4	E889 K890 R897	E889-L893 WeakPolarHBondContact O-CB 3.47Å; E889-L893 PolarHBondContact O-N 3.34Å; K890-L893 PolarHBondContact O-N 3.22Å; L893-R897 PolarHBondContact O-NH1 3.15Å
894	E	44.6	Very low	43.5	Very low	127 Å²	127	135.2 Å²	135.2	59%	0.593	67%	0.669	S	S	*	*	H	α-helix	trans	-82.9	-51.7	172.1	-165.4	150.1	-125.9	0	0	110.2	K890 L892 Q896 R897	K890-E894 PolarHBondContact O-N 2.97Å; K890-E894 VanDerWaalsContact O-N 3.15Å; L892-E894 VanDerWaalsContact C-N 3.27Å; L892-E894 PolarHBondContact O-N 3.39Å; E894-Q896 PolarHBondContact O-N 3.05Å; E894-Q896 VanDerWaalsContact O-N 3.14Å; E894-R897 WeakPolarHBondContact O-CB 3.41Å; E894-R897 PolarHBondContact O-N 3.42Å
895	R	45.7	Very low	42.8	Very low	145 Å²	145	131.3 Å²	131.3	55%	0.547	66%	0.658	S	S	.	*	H	α-helix	trans	-62.8	-20.5	176.4	-76.8	-173.9	-78.8	-108.2	4.9	114.9	E891 L892	E891-R895 PolarHBondContact O-NE 3.42Å; E891-R895 IonicContact OE1-CZ 2.99Å; E891-R895 VanDerWaalsContact OE1-CZ 3.27Å; E891-R895 IonicContact OE1-NH1 3.92Å; E891-R895 PolarHBondContact OE1-NH1 3.44Å; E891-R895 IonicContact OE1-NH2 3.15Å; E891-R895 PolarHBondContact OE1-NH2 3.34Å; E891-R895 IonicContact OE2-CZ 3.71Å; E891-R895 IonicContact OE2-NH1 3.77Å; E891-R895 IonicContact OE2-NH2 3.42Å; E891-R895 PolarHBondContact OE2-NH2 3.46Å; L892-R895 PolarHBondContact O-N 3.21Å
896	Q	39.3	Very low	42.2	Very low	130 Å²	130	133.1 Å²	133.1	61%	0.607	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-14.3	172	-170.8	167.8	-12.1	0	0	113.7	L892 E894	L892-Q896 PolarHBondContact O-N 3.18Å; L892-Q896 VanDerWaalsContact O-N 3.14Å; E894-Q896 PolarHBondContact O-N 3.05Å; E894-Q896 VanDerWaalsContact O-N 3.14Å
897	R	44.8	Very low	41.2	Very low	179 Å²	179	130.8 Å²	130.8	68%	0.675	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-29.2	-179.9	-87.7	-175.4	168.2	82.2	-2.6	114.4	L893 E894	L893-R897 PolarHBondContact O-NH1 3.15Å; E894-R897 WeakPolarHBondContact O-CB 3.41Å; E894-R897 PolarHBondContact O-N 3.42Å
898	E	37.4	Very low	40.3	Very low	177 Å²	177	130 Å²	130	83%	0.827	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-12.6	-174	-63.1	-175.5	126.8	0	0	113.9
899	S	41.4	Very low	39.1	Very low	100 Å²	100	131.3 Å²	131.3	70%	0.699	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	4.3	-178.5	61.3	0	0	0	0	115.2
900	S	32	Very low	37.9	Very low	74 Å²	74	134.7 Å²	134.7	52%	0.517	67%	0.673	S	S	.	*			trans	-155.7	88.2	-179.9	63.7	0	0	0	0	115.1
901	L	29.8	Very low	37.4	Very low	162 Å²	162	133.1 Å²	133.1	85%	0.848	68%	0.681	S	S	*	*				-166.1	138.5	119.4	-128.4	76.9	0	0	0	111.1
902	A	32.3	Very low	36.4	Very low	90 Å²	90	134 Å²	134	74%	0.744	70%	0.696	S	S	*	*			trans	-95.4	161.8	152.3	0	0	0	0	0	108.9	I904	A902-I904 PolarHBondContact O-N 3.13Å
903	D	40.4	Very low	36.1	Very low	157 Å²	157	132 Å²	132	84%	0.84	70%	0.702	S	S	*	*			trans	-40.3	123.6	-174.7	-92.5	-80.4	0	0	0	117.5
904	I	33.1	Very low	36	Very low	150 Å²	150	135.9 Å²	135.9	77%	0.769	72%	0.715	S	S	*	*			trans	-136.2	74.5	144	-50.2	-176.9	0	0	0	111.5	A902	A902-I904 PolarHBondContact O-N 3.13Å
905	K	35.2	Very low	35.7	Very low	154 Å²	154	137.4 Å²	137.4	67%	0.67	72%	0.722	S	S	*	*				49.5	103.8	112.6	-173.5	-175	-179.7	176.3	0	119.9	K907	K905-K907 HydrophobicContact CG-CB 4.09Å
906	V	30	Very low	35.2	Very low	144 Å²	144	138.8 Å²	138.8	87%	0.873	74%	0.737	S	S	*	*			trans	-138.5	102.5	133.4	179.8	0	0	0	0	104.5
907	K	29.4	Very low	34.8	Very low	134 Å²	134	139 Å²	139	58%	0.583	74%	0.742	S	S	*	*			cis	68.8	109.4	48.4	-163.3	-174.5	-179.8	-131	0	115	K905	K905-K907 HydrophobicContact CG-CB 4.09Å
908	E	27	Very low	34.3	Very low	132 Å²	132	136.3 Å²	136.3	62%	0.617	74%	0.737	S	S	*	*			trans	65	157.2	166.7	-82.3	-170	96	0	0	116
909	S	27.5	Very low	34.1	Very low	95 Å²	95	137.1 Å²	137.1	66%	0.664	73%	0.732	S	S	*	*			cis	-137.3	148.7	12.6	63.2	0	0	0	0	115.3
910	R	25.1	Very low	33.6	Very low	209 Å²	209	143.3 Å²	143.3	79%	0.789	74%	0.74	S	S	*	*			trans	35.5	133.3	137.7	-64.3	176.6	172.9	-124.9	-2.1	121.1	P912	R910-P912 WeakPolarHBondContact O-CD 3.47Å
911	S	44.5	Very low	33.4	Very low	121 Å²	121	145.8 Å²	145.8	85%	0.846	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-65.2	130.3	140	-34	0	0	0	0	110.8
912	P	29.3	Very low	33.4	Very low	121 Å²	121	142.7 Å²	142.7	79%	0.786	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-97.4	146.6	150.3	35.2	-28.7	0	0	0	109.8	R910	R910-P912 WeakPolarHBondContact O-CD 3.47Å
913	G	41	Very low	33.3	Very low	71 Å²	71	146.8 Å²	146.8	73%	0.732	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-92.3	139.6	173.6	0	0	0	0	0	112.1
914	K	46.9	Very low	32.9	Very low	182 Å²	182	146.5 Å²	146.5	79%	0.791	75%	0.746	S	S	*	*			trans	84.4	168.3	161.6	-54.5	-171.8	167.1	-170.9	0	120.1
915	E	37.3	Very low	33	Very low	158 Å²	158	143.9 Å²	143.9	74%	0.738	74%	0.741	S	S	*	*			trans	35.7	98.2	177.3	27	-83.7	175.3	0	0	121.2
916	M	35.6	Very low	32.8	Very low	174 Å²	174	144.5 Å²	144.5	86%	0.857	75%	0.75	S	S	*	*				34.4	129.5	116.7	-164.6	175	171.9	0	0	121.1
917	L	31.4	Very low	32.6	Very low	135 Å²	135	146.9 Å²	146.9	71%	0.707	75%	0.749	S	S	*	*			trans	97.7	117.5	153.2	-143.4	68.2	0	0	0	119.8
918	E	34.2	Very low	33.5	Very low	123 Å²	123	146 Å²	146	58%	0.575	76%	0.756	S	S	*	*			trans	36.8	125.9	143.7	-63	-157.3	99	0	0	125.4
919	R	33.2	Very low	33.7	Very low	194 Å²	194	145.4 Å²	145.4	73%	0.732	76%	0.762	S	S	*	*			trans	77.1	116.2	139.2	-60	160.1	-160.4	172.3	8.4	122
920	R	30.2	Very low	34	Very low	230 Å²	230	148.3 Å²	148.3	87%	0.868	77%	0.766	S	S	*	*			trans	88.2	110.9	139.7	-66	174.5	175.4	179	-2.4	123.9
921	T	27.2	Very low	34.3	Very low	125 Å²	125	149 Å²	149	77%	0.767	77%	0.768	S	S	*	*			trans	65.5	141.1	130.8	55.4	0	0	0	0	126.5
922	S	31	Very low	33.4	Very low	97 Å²	97	149.4 Å²	149.4	68%	0.678	77%	0.766	S	S	*	*			trans	78.8	150.1	149.2	51.5	0	0	0	0	124.2
923	E	30.3	Very low	34.4	Very low	177 Å²	177	149.3 Å²	149.3	83%	0.827	77%	0.765	S	S	*	*			cis	-173.6	-179.8	-34.4	-131	70	86.2	0	0	114.1
924	D	32	Very low	33.5	Very low	151 Å²	151	151.1 Å²	151.1	81%	0.807	77%	0.766	S	S	*	*			trans	92.4	171	157.1	-145.8	13.9	0	0	0	124
925	S	33.9	Very low	34.1	Very low	95 Å²	95	148 Å²	148	66%	0.664	76%	0.764	S	S	*	*			trans	-82.3	-166.9	-140.9	-68.9	0	0	0	0	120.2
926	I	30.7	Very low	33.6	Very low	167 Å²	167	150.2 Å²	150.2	86%	0.856	77%	0.767	S	S	*	*			cis	-153	-139.7	30.6	-22.6	177.2	0	0	0	116.5
927	K	26.2	Very low	33.5	Very low	194 Å²	194	145.4 Å²	145.4	84%	0.843	75%	0.751	S	S	*	*			trans	-153	-163.5	-167	-38.8	175.7	-177.1	172.2	0	112.2
928	P	48.2	Very low	33.6	Very low	114 Å²	114	148 Å²	148	74%	0.74	76%	0.756	S	S	*	*			cis	-141.1	-177.8	-23	31	-6.9	0	0	0	117.8
929	T	31.7	Very low	33.5	Very low	121 Å²	121	146.3 Å²	146.3	74%	0.742	76%	0.764	S	S	*	*			trans	126.5	100.7	133.5	-47.9	0	0	0	0	123.7
930	Q	34.3	Very low	33.2	Very low	156 Å²	156	145 Å²	145	73%	0.729	77%	0.768	S	S	*	*			trans	52.4	140.5	134.3	-63.6	-159	42.2	0	0	130.7
931	R	31.9	Very low	33.4	Very low	224 Å²	224	141.4 Å²	141.4	85%	0.845	76%	0.764	S	S	*	*			trans	105.3	164.7	135.4	-89.5	172.7	-171	-175.7	0.1	123.9
932	T	24.3	Very low	33.5	Very low	129 Å²	129	142.3 Å²	142.3	79%	0.791	77%	0.765	S	S	*	*			trans	-135.5	-166.9	-155.1	60	0	0	0	0	112.4
933	P	49.8	Very low	33.8	Very low	119 Å²	119	144 Å²	144	77%	0.773	76%	0.762	S	S	*	*			cis	-138.5	-175	-12.4	40.6	-19.5	0	0	0	118
934	S	22.4	Very low	34.1	Very low	109 Å²	109	143 Å²	143	76%	0.762	76%	0.757	S	S	*	*			trans	-20.6	179.1	159.5	-83.8	0	0	0	0	124.3
935	P	59.3	Low	34	Very low	115 Å²	115	140.4 Å²	140.4	75%	0.747	75%	0.751	S	S	*	*			cis	-147.5	-175.2	-26.9	39.7	-18.8	0	0	0	118.3
936	Y	27.5	Very low	34.1	Very low	205 Å²	205	144.4 Å²	144.4	80%	0.804	76%	0.761	S	S	*	*			trans	96	116.5	141.2	-149.7	-112.6	0	0	0	125.4
937	S	33.1	Very low	34.4	Very low	73 Å²	73	145.9 Å²	145.9	51%	0.51	76%	0.761	S	S	.	*			trans	70.5	130.3	138.5	-71	0	0	0	0	129.4
938	K	34.4	Very low	34.9	Very low	189 Å²	189	145.1 Å²	145.1	82%	0.822	77%	0.766	S	S	*	*			trans	70	99.6	132.5	-69.7	-175.5	178.5	-178.6	0	123.7
939	A	31.3	Very low	33.9	Very low	88 Å²	88	144.1 Å²	144.1	73%	0.727	77%	0.767	S	S	*	*				80.3	151.8	114.4	0	0	0	0	0	123.4
940	M	27.8	Very low	33.8	Very low	167 Å²	167	142.4 Å²	142.4	82%	0.823	77%	0.773	S	S	*	*			trans	79.3	99.9	165.3	-53.2	-51.2	-170	0	0	120.9
941	I	33.4	Very low	33.5	Very low	154 Å²	154	138.7 Å²	138.7	79%	0.79	78%	0.777	S	S	*	*			trans	43	115.7	137.9	-26.3	-179.8	0	0	0	120.4
942	N	29.2	Very low	33.5	Very low	145 Å²	145	136 Å²	136	78%	0.775	78%	0.778	S	S	*	*				139.8	147.5	120.6	-153.7	41.6	0	0	0	116
943	E	37.6	Very low	34.7	Very low	133 Å²	133	134.8 Å²	134.8	62%	0.621	77%	0.772	S	S	*	*			trans	-15.5	124	173.7	-66.9	-80.3	67.6	0	0	121.5
944	Q	37.7	Very low	33.8	Very low	156 Å²	156	134.4 Å²	134.4	73%	0.729	77%	0.773	S	S	*	*			trans	48.8	99.8	130.6	-60.7	179.8	55.5	0	0	120.8
945	S	30.1	Very low	34.4	Very low	96 Å²	96	133.1 Å²	133.1	67%	0.671	77%	0.769	S	S	*	*			trans	53.6	123.1	131.7	-177.9	0	0	0	0	120.6
946	M	35.9	Very low	33.3	Very low	179 Å²	179	134.8 Å²	134.8	88%	0.882	77%	0.77	S	S	*	*				-164.6	166.4	117	-78.8	-32.9	149.6	0	0	109.9
947	K	36.3	Very low	33.6	Very low	197 Å²	197	133.2 Å²	133.2	86%	0.857	77%	0.767	S	S	*	*			trans	-99.6	147.7	178.7	-60.1	165.7	-178.4	169.9	0	110.9
948	L	35.8	Very low	33.5	Very low	179 Å²	179	135.3 Å²	135.3	94%	0.937	77%	0.772	S	S	*	*				-179.1	178.1	119.7	-97	166.9	0	0	0	113.2
949	A	27.8	Very low	33.4	Very low	93 Å²	93	132.8 Å²	132.8	77%	0.769	77%	0.767	S	S	*	*			trans	-82.8	135.9	-155.9	0	0	0	0	0	117.3
950	G	29	Very low	33.5	Very low	84 Å²	84	134.8 Å²	134.8	87%	0.866	76%	0.761	S	S	*	*				35.9	141	122.8	0	0	0	0	0	123.4
951	G	28.1	Very low	33.8	Very low	79 Å²	79	136 Å²	136	81%	0.814	76%	0.756	S	S	*	*			trans	161.4	97.2	160.4	0	0	0	0	0	116.5
952	L	33.1	Very low	33.5	Very low	167 Å²	167	138 Å²	138	87%	0.874	76%	0.759	S	S	*	*			trans	-65.4	177.1	151.2	-99.7	88.1	0	0	0	110.3
953	P	49.3	Very low	33.3	Very low	103 Å²	103	139.4 Å²	139.4	67%	0.669	76%	0.761	S	S	*	*			cis	-150.1	-176.3	25.5	44.7	-24.4	0	0	0	119
954	S	31.6	Very low	34.3	Very low	112 Å²	112	138.1 Å²	138.1	78%	0.783	76%	0.764	S	S	*	*			trans	71.8	151.2	140.9	-73.2	0	0	0	0	121.8
955	A	34.8	Very low	34.4	Very low	81 Å²	81	136.6 Å²	136.6	67%	0.669	77%	0.768	S	S	*	*			cis	-172.5	-168.5	-17.2	0	0	0	0	0	110.9
956	I	35.2	Very low	34.1	Very low	150 Å²	150	137.4 Å²	137.4	77%	0.769	77%	0.774	S	S	*	*			trans	96.7	101.6	146.8	-77	164.5	0	0	0	119.8
957	K	34.4	Very low	33.7	Very low	172 Å²	172	133.4 Å²	133.4	75%	0.748	77%	0.769	S	S	*	*				79	122	127.9	-75.4	176.7	145.8	-94.8	0	124.6
958	D	29.6	Very low	33.5	Very low	117 Å²	117	132.6 Å²	132.6	63%	0.626	77%	0.768	S	S	*	*				107.1	144.6	115.1	-90.9	-47.1	0	0	0	124
959	I	33.2	Very low	33.4	Very low	136 Å²	136	130 Å²	130	70%	0.697	76%	0.755	S	S	*	*			trans	82.2	90.2	148.9	-68.5	160.6	0	0	0	122.1
960	E	32.8	Very low	33.5	Very low	130 Å²	130	131.5 Å²	131.5	61%	0.607	75%	0.749	S	S	*	*				79.7	124.2	117.6	-62.3	-152.6	105.8	0	0	127.3
961	R	35.5	Very low	33.6	Very low	193 Å²	193	134.4 Å²	134.4	73%	0.728	74%	0.74	S	S	*	*				82.2	127.3	126.8	-78.8	-167.7	-84.5	-179.1	-5.5	124
962	K	26.1	Very low	33.6	Very low	195 Å²	195	139.4 Å²	139.4	85%	0.848	74%	0.739	S	S	*	*			trans	102.4	116.2	135	-90.2	-170.8	173.4	-169.4	0	122.8
963	E	24.9	Very low	33.4	Very low	175 Å²	175	137.5 Å²	137.5	82%	0.818	73%	0.734	S	S	*	*			trans	-64.2	177.3	140.3	-106	-162.5	112.7	0	0	112.1
964	P	58.3	Low	32.5	Very low	106 Å²	106	140.9 Å²	140.9	69%	0.688	74%	0.738	S	S	*	*			cis	-124	-140	12.1	32	-6.1	0	0	0	109.6
965	P	40.8	Very low	32.3	Very low	124 Å²	124	141.6 Å²	141.6	81%	0.805	73%	0.734	S	S	*	*			cis	-139.1	-141.2	-2.9	45.4	-22.9	0	0	0	115.6
966	S	24.1	Very low	32.2	Very low	113 Å²	113	144.1 Å²	144.1	79%	0.79	74%	0.736	S	S	*	*			trans	-137.1	169	-163.7	57.3	0	0	0	0	113.5
967	A	27.5	Very low	32.2	Very low	95 Å²	95	143.6 Å²	143.6	79%	0.785	73%	0.732	S	S	*	*			trans	157.7	140.4	133.3	0	0	0	0	0	114.8
968	E	31	Very low	32.2	Very low	181 Å²	181	145.7 Å²	145.7	85%	0.846	74%	0.741	S	S	*	*			trans	-75.9	166.2	149.8	-68.5	-166.4	114.4	0	0	110.4
969	L	33.4	Very low	32.8	Very low	125 Å²	125	146.9 Å²	146.9	65%	0.654	75%	0.746	S	S	*	*				155	93.7	110.9	-163.8	79.3	0	0	0	115.7
970	L	31.7	Very low	32.8	Very low	124 Å²	124	149 Å²	149	65%	0.649	75%	0.75	S	S	*	*			trans	61.3	167.9	140.7	-58.1	175.4	0	0	0	123
971	H	30.8	Very low	33	Very low	144 Å²	144	150.8 Å²	150.8	67%	0.667	76%	0.758	S	S	*	*			trans	76.8	154.8	159.9	-46.1	-66.9	0	0	0	116.3
972	K	28	Very low	33	Very low	185 Å²	185	146.7 Å²	146.7	80%	0.804	75%	0.747	S	S	*	*			cis	-138.3	168.7	-4.3	-79	96.8	-173.6	-179.2	0	107.2
973	V	28.9	Very low	33.3	Very low	127 Å²	127	147.6 Å²	147.6	77%	0.77	75%	0.745	S	S	*	*			cis	-171.1	163.5	-31.3	70.6	0	0	0	0	107.7
974	K	29.6	Very low	33.7	Very low	173 Å²	173	146.1 Å²	146.1	75%	0.752	74%	0.736	S	S	*	*			trans	66.9	139.9	-177	-75.2	-168.3	172.5	-161.7	0	115	D976	K974-D976 IonicContact NZ-OD2 2.88Å
975	N	27.8	Very low	32.5	Very low	128 Å²	128	148.1 Å²	148.1	68%	0.684	74%	0.736	S	S	*	*			cis	62	108.4	9.3	-169.6	34.4	0	0	0	117.1
976	D	33.2	Very low	32.1	Very low	133 Å²	133	150.4 Å²	150.4	71%	0.711	74%	0.736	S	S	*	*			trans	-144.7	157.5	130.6	-131.7	-44.7	0	0	0	111.8	K974	K974-D976 IonicContact NZ-OD2 2.88Å
977	M	33.8	Very low	32.3	Very low	140 Å²	140	154.1 Å²	154.1	69%	0.69	74%	0.741	S	S	*	*			trans	-102.7	151.6	177	-54.8	-175.7	-54.2	0	0	110
978	K	35.1	Very low	32.4	Very low	215 Å²	215	157.8 Å²	157.8	94%	0.935	74%	0.742	S	S	*	*			trans	-145.7	144.4	137.4	-127.7	166.7	-174.2	174.8	0	112.8
979	I	41.7	Very low	32.3	Very low	142 Å²	142	154.8 Å²	154.8	73%	0.728	74%	0.736	S	S	*	*			trans	-122.8	135	-176.6	-23.7	172.1	0	0	0	106
980	K	32.9	Very low	32	Very low	180 Å²	180	156.4 Å²	156.4	78%	0.783	74%	0.742	S	S	*	*			trans	-146.2	118.6	137.8	-138.8	-160.8	176.7	-136.9	0	111.9	E982	K980-E982 IonicContact NZ-OE2 3.49Å; K980-E982 PolarHBondContact NZ-OE2 3.25Å
981	E	38	Very low	32	Very low	168 Å²	168	156.3 Å²	156.3	79%	0.785	75%	0.747	S	S	*	*			trans	-47.4	153.8	151.8	170.5	176.9	-152.5	0	0	112.3
982	E	35.4	Very low	31.9	Very low	108 Å²	108	155.5 Å²	155.5	51%	0.505	75%	0.751	S	S	.	*				158.7	126.8	118.4	-171.5	171.9	171.2	0	0	115.2	K980	K980-E982 IonicContact NZ-OE2 3.49Å; K980-E982 PolarHBondContact NZ-OE2 3.25Å
983	R	32.1	Very low	31.8	Very low	213 Å²	213	151.8 Å²	151.8	80%	0.804	75%	0.749	S	S	*	*			trans	63	168.6	155.5	-75.8	-180	168.8	141.5	-8.4	119.2
984	K	34.5	Very low	31.8	Very low	145 Å²	145	151.1 Å²	151.1	63%	0.63	75%	0.75	S	S	*	*			cis	-169.7	137.8	-29.6	167.4	173.3	-171.6	-82.4	0	110.3
985	E	32.7	Very low	31.5	Very low	147 Å²	147	151.6 Å²	151.6	69%	0.687	75%	0.754	S	S	*	*			trans	54.6	157.6	149.8	-152	166.1	100.3	0	0	121.4
986	E	32.3	Very low	32	Very low	172 Å²	172	151.3 Å²	151.3	80%	0.804	76%	0.76	S	S	*	*			trans	-77.5	143.5	-176.8	-61.1	142.8	-153.1	0	0	112.9
987	Q	27.2	Very low	31.6	Very low	191 Å²	191	149.1 Å²	149.1	89%	0.893	76%	0.76	S	S	*	*			trans	-154.8	169.3	151.1	-149.6	117.9	109.5	0	0	112.4
988	E	30.2	Very low	31.7	Very low	172 Å²	172	148.6 Å²	148.6	80%	0.804	77%	0.767	S	S	*	*			trans	-100.4	154.7	-163.2	-74.5	-177.1	90.8	0	0	115.5
989	V	29.3	Very low	31.2	Very low	118 Å²	118	146.7 Å²	146.7	72%	0.715	76%	0.762	S	S	*	*			trans	73.6	148.6	135.7	165.7	0	0	0	0	121.2
990	M	27.4	Very low	31.1	Very low	159 Å²	159	145.2 Å²	145.2	78%	0.783	76%	0.762	S	S	*	*			trans	79.7	101.2	160.6	-88.2	165.3	61	0	0	123
991	V	31.3	Very low	30.8	Very low	123 Å²	123	140.2 Å²	140.2	75%	0.745	75%	0.754	S	S	*	*				61.1	104.3	104.6	174.8	0	0	0	0	120.5
992	V	28.2	Very low	30.2	Very low	126 Å²	126	138.4 Å²	138.4	76%	0.764	75%	0.754	S	S	*	*			trans	80	141.7	132.8	170.2	0	0	0	0	122.1
993	S	26.4	Very low	29.8	Very low	107 Å²	107	141.4 Å²	141.4	75%	0.748	77%	0.768	S	S	*	*			trans	75.4	144.1	167.8	-73.9	0	0	0	0	118.3
994	S	28.3	Very low	29.3	Very low	113 Å²	113	138.3 Å²	138.3	79%	0.79	77%	0.766	S	S	*	*			cis	-160.9	173.3	-3.7	42.1	0	0	0	0	113.7
995	E	23.4	Very low	29.2	Very low	183 Å²	183	138.5 Å²	138.5	86%	0.855	77%	0.773	S	S	*	*			trans	-42.7	155.3	169.4	-155.3	162	119	0	0	114.4
996	P	38.7	Very low	29.6	Very low	122 Å²	122	136.9 Å²	136.9	79%	0.792	78%	0.775	S	S	*	*			cis	-145.2	178.7	39.9	42.5	-20.8	0	0	0	120.9
997	A	25	Very low	29.7	Very low	88 Å²	88	134.5 Å²	134.5	73%	0.727	77%	0.772	S	S	*	*			trans	-86.8	171.7	176.4	0	0	0	0	0	113.5
998	P	34.9	Very low	30.5	Very low	129 Å²	129	130.7 Å²	130.7	84%	0.838	76%	0.764	S	S	*	*				-144.2	173.7	91.7	39.9	-24.9	0	0	0	116.9
999	Q	25	Very low	30.3	Very low	174 Å²	174	128.7 Å²	128.7	81%	0.813	76%	0.763	S	S	*	*			trans	-71.1	179.5	164.9	-74	-95.5	-1.8	0	0	111.3
1000	P	40.9	Very low	30.2	Very low	112 Å²	112	127 Å²	127	73%	0.727	76%	0.757	S	S	*	*			cis	-146.3	-173.5	17.4	45.7	-26.2	0	0	0	118.5
1001	A	25.4	Very low	30.2	Very low	75 Å²	75	127.7 Å²	127.7	62%	0.62	76%	0.758	S	S	*	*			trans	59.7	127.2	147.1	0	0	0	0	0	120.2
1002	V	25.1	Very low	31	Very low	129 Å²	129	128.1 Å²	128.1	78%	0.782	76%	0.763	S	S	*	*			cis	82.1	143.3	42.8	-177.8	0	0	0	0	113.8
1003	Q	26.8	Very low	31	Very low	171 Å²	171	125.9 Å²	125.9	80%	0.799	77%	0.765	S	S	*	*			trans	104.9	147.3	170	-60	-171.1	99.2	0	0	116.6
1004	I	22.9	Very low	31	Very low	149 Å²	149	128.1 Å²	128.1	76%	0.764	77%	0.769	S	S	*	*			cis	-167.7	171.7	-38.6	-118.5	166.7	0	0	0	108.5
1005	L	31.4	Very low	31.9	Very low	149 Å²	149	127.5 Å²	127.5	78%	0.78	76%	0.762	S	S	*	*			trans	-50.5	-177.1	164.9	-106.6	65.7	0	0	0	115.1
1006	P	41.1	Very low	32.2	Very low	113 Å²	113	125.5 Å²	125.5	73%	0.734	75%	0.753	S	S	*	*			cis	-138.2	-174.8	-0.8	27.5	-2.1	0	0	0	116.8
1007	V	35.4	Very low	31.9	Very low	122 Å²	122	126.5 Å²	126.5	74%	0.739	75%	0.747	S	S	*	*			trans	-52	167.8	154.6	-144	0	0	0	0	113.3
1008	P	43.3	Very low	32.2	Very low	110 Å²	110	129.3 Å²	129.3	71%	0.714	74%	0.744	S	S	*	*				-145.9	-179.6	110.4	39.3	-25.2	0	0	0	115.6
1009	V	26.3	Very low	31.8	Very low	130 Å²	130	131.2 Å²	131.2	79%	0.788	74%	0.742	S	S	*	*			trans	75.5	137.7	175.2	177.8	0	0	0	0	113.6
1010	S	26.6	Very low	32.6	Very low	84 Å²	84	128.1 Å²	128.1	59%	0.587	74%	0.737	S	S	*	*			cis	-175.9	178.8	-15.8	-92.5	0	0	0	0	108.1
1011	Q	28.2	Very low	32.7	Very low	173 Å²	173	128.1 Å²	128.1	81%	0.808	74%	0.737	S	S	*	*			cis	-176.1	174.5	-28.1	-93.8	164.4	-44.8	0	0	105.2
1012	P	47	Very low	32.8	Very low	131 Å²	131	132.3 Å²	132.3	85%	0.851	75%	0.748	S	S	*	*			cis	-124.5	165.9	-6.4	39.6	-24.6	0	0	0	114.7
1013	G	29.5	Very low	32.9	Very low	79 Å²	79	130.9 Å²	130.9	81%	0.814	74%	0.743	S	S	*	*			trans	173.7	119.5	170	0	0	0	0	0	111.2
1014	N	26.1	Very low	33.2	Very low	155 Å²	155	131.6 Å²	131.6	83%	0.829	75%	0.747	S	S	*	*			trans	-155.9	163	-163.4	-153.3	31.2	0	0	0	108.3
1015	P	47.2	Very low	33.4	Very low	100 Å²	100	132.7 Å²	132.7	65%	0.649	75%	0.749	S	S	*	*			cis	-123.8	-160.1	-1.7	45.3	-28.1	0	0	0	111.4
1016	H	28.8	Very low	34	Very low	141 Å²	141	130.4 Å²	130.4	65%	0.653	74%	0.743	S	S	*	*			cis	-144.7	-107.1	1.7	-149.9	-30.1	0	0	0	113.8
1017	H	32.9	Very low	34.3	Very low	143 Å²	143	129.5 Å²	129.5	66%	0.662	74%	0.737	S	S	*	*			trans	-153.2	160.6	-162.4	-66.5	-13.5	0	0	0	111.2
1018	H	30.9	Very low	33.8	Very low	146 Å²	146	131.4 Å²	131.4	68%	0.676	74%	0.742	S	S	*	*				155.4	120.5	120.1	-83.2	-59.5	0	0	0	116.5
1019	H	26.8	Very low	33.5	Very low	170 Å²	170	131.5 Å²	131.5	79%	0.787	74%	0.743	S	S	*	*			trans	55.8	-159.8	140.7	69.4	-149.3	0	0	0	120.6
1020	P	42.8	Very low	33.7	Very low	109 Å²	109	130.6 Å²	130.6	71%	0.708	74%	0.742	S	S	*	*			trans	-110.5	-166.4	-139.1	13.9	14.8	0	0	0	113
1021	P	41.9	Very low	34.4	Very low	112 Å²	112	131.7 Å²	131.7	73%	0.727	75%	0.747	S	S	*	*			cis	-124.2	178.4	6.8	28.7	-2.6	0	0	0	113.6
1022	L	26.7	Very low	34.5	Very low	162 Å²	162	135.2 Å²	135.2	85%	0.848	75%	0.753	S	S	*	*				37.2	141.1	73.8	-66.5	163.1	0	0	0	113.4
1023	S	27.7	Very low	33.5	Very low	99 Å²	99	132.8 Å²	132.8	69%	0.692	75%	0.752	S	S	*	*			cis	-155.9	172.7	19.5	-149	0	0	0	0	107.6
1024	Q	32.8	Very low	33.5	Very low	186 Å²	186	133.3 Å²	133.3	87%	0.869	74%	0.743	S	S	*	*			cis	-146	132.8	34	-66.8	-179.5	65.4	0	0	114.1
1025	Q	28.2	Very low	33.6	Very low	172 Å²	172	128 Å²	128	80%	0.804	72%	0.715	S	S	*	*			trans	-69.6	178	148	-102.1	-166.9	-53.3	0	0	110.6
1026	P	43.3	Very low	32.9	Very low	102 Å²	102	126.8 Å²	126.8	66%	0.662	70%	0.702	S	S	*	*			cis	-128.3	-126.1	-42.2	34.8	-12.6	0	0	0	106.9
1027	P	47	Very low	33.5	Very low	93 Å²	93	125.8 Å²	125.8	60%	0.604	71%	0.708	S	S	*	*			cis	-135.4	157	-29.9	27.6	-6.2	0	0	0	117.4
1028	L	26.6	Very low	33.4	Very low	162 Å²	162	125.1 Å²	125.1	85%	0.848	71%	0.714	S	S	*	*			trans	65.4	165.6	144.3	-65.7	165.4	0	0	0	119.1
1029	P	36.4	Very low	34.1	Very low	113 Å²	113	124.5 Å²	124.5	73%	0.734	72%	0.723	S	S	*	*			cis	-133.5	170.9	-43	38.2	-23.9	0	0	0	114.1
1030	S	30.9	Very low	34.4	Very low	110 Å²	110	119.2 Å²	119.2	77%	0.769	72%	0.715	S	S	*	*			trans	-75	158.6	156.6	-132.1	0	0	0	0	109.9
1031	P	41.1	Very low	34	Very low	108 Å²	108	122.5 Å²	122.5	70%	0.701	73%	0.726	S	S	*	*				-155	174.7	52.3	42.5	-21.2	0	0	0	119.4
1032	R	30.6	Very low	33.6	Very low	246 Å²	246	125.1 Å²	125.1	93%	0.928	73%	0.728	S	S	*	*			trans	50.6	117.1	147.5	-74.3	176.8	171	178.4	-2.5	122.6
1033	G	25.9	Very low	33.8	Very low	80 Å²	80	119.9 Å²	119.9	83%	0.825	71%	0.713	S	S	*	*			trans	99.4	140.1	143.2	0	0	0	0	0	118.6
1034	S	28.6	Very low	34.3	Very low	90 Å²	90	121.4 Å²	121.4	63%	0.629	72%	0.718	S	S	*	*	B	Isolated β-bridge	trans	-106.1	-121.3	-167	37.2	0	0	0	0	116.1	G328 S329 R330	G328-S1034 CarbonylContact O-C 3.35Å; G328-S1034 VanDerWaalsContact O-C 3.28Å; G328-S1034 WeakPolarHBondContact O-CA 3.47Å; G328-S1034 PolarHBondContact O-N 3.35Å; S329-S1034 WeakPolarHBondContact CA-O 3.42Å; R330-S1034 PolarHBondContact N-O 3.19Å
1035	D	27.8	Very low	35.1	Very low	45 Å²	45	118.4 Å²	118.4	24%	0.241	71%	0.714	C	S	.	*			cis	-169	-176.8	6.5	163.4	49	0	0	0	106.3	R327 G328 S329	R327-D1035 WeakPolarHBondContact CA-OD2 3.48Å; R327-D1035 IonicContact CZ-OD2 3.73Å; R327-D1035 IonicContact NH1-OD2 2.72Å; R327-D1035 PolarHBondContact NH1-OD2 2.48Å; G328-D1035 VanDerWaalsContact N-CG 3.26Å; G328-D1035 PolarHBondContact N-OD2 2.45Å; G328-D1035 WeakPolarHBondContact O-CB 3.47Å; S329-D1035 VanDerWaalsContact CB-C 3.49Å; S329-D1035 VanDerWaalsContact CB-N 3.35Å; S329-D1035 WeakPolarHBondContact CB-O 3.4Å
1036	I	33.8	Very low	35.6	Very low	74 Å²	74	118.7 Å²	118.7	38%	0.379	72%	0.718	S	S	.	*			trans	-6.8	127.1	160.7	-67.6	159.5	0	0	0	115.6	R327 S329	R327-I1036 VanDerWaalsContact NH1-CD1 3.26Å; S329-I1036 WeakPolarHBondContact CB-O 3.17Å; S329-I1036 PolarHBondContact OG-O 3.34Å
1037	P	40.9	Very low	35	Very low	119 Å²	119	117.7 Å²	117.7	77%	0.773	71%	0.714	S	S	*	*				-141.1	175	57.8	37.9	-18.5	0	0	0	120
1038	T	31.3	Very low	34.5	Very low	130 Å²	130	121.7 Å²	121.7	80%	0.798	72%	0.724	S	S	*	*			trans	-82.5	-174.6	170.9	47.4	0	0	0	0	112.6
1039	P	45.2	Very low	34.6	Very low	132 Å²	132	118.4 Å²	118.4	86%	0.857	71%	0.714	S	S	*	*			cis	-125	-145.8	0	47.9	-30.9	0	0	0	111.8
1040	G	32.7	Very low	34.5	Very low	60 Å²	60	120.9 Å²	120.9	62%	0.619	72%	0.721	S	S	*	*			cis	165.9	179.3	0.4	0	0	0	0	0	114
1041	L	34.6	Very low	35.3	Very low	178 Å²	178	120.6 Å²	120.6	93%	0.932	72%	0.716	S	S	*	*			trans	71.2	158	167.2	-50.6	173.6	0	0	0	117.1
1042	H	34.4	Very low	35	Very low	166 Å²	166	122.9 Å²	122.9	77%	0.769	72%	0.721	S	S	*	*			cis	-178.8	155.2	-25.6	176.6	-87.3	0	0	0	108	V1044	H1042-V1044 VanDerWaalsContact CE1-CG2 3.49Å; H1042-V1044 WeakPolarHBondContact CE1-CG2 3.22Å
1043	G	30.1	Very low	35	Very low	52 Å²	52	116.8 Å²	116.8	54%	0.536	72%	0.716	S	S	.	*			cis	152.5	150.7	-4.6	0	0	0	0	0	113.5
1044	V	38.5	Very low	35.2	Very low	131 Å²	131	120.9 Å²	120.9	79%	0.794	72%	0.716	S	S	*	*			trans	61	168.6	168.7	-85.1	0	0	0	0	119.9	H1042	H1042-V1044 VanDerWaalsContact CE1-CG2 3.49Å; H1042-V1044 WeakPolarHBondContact CE1-CG2 3.22Å
1045	P	49	Very low	35.2	Very low	123 Å²	123	122.4 Å²	122.4	80%	0.799	73%	0.727	S	S	*	*			cis	-132.5	-164.2	4.2	37.6	-14.9	0	0	0	118.5
1046	M	38.9	Very low	35.4	Very low	178 Å²	178	124.5 Å²	124.5	88%	0.877	75%	0.751	S	S	*	*			trans	-64.3	-170.4	-164.6	-45.6	-174.5	83	0	0	118.6
1047	S	31.1	Very low	35.3	Very low	82 Å²	82	126.1 Å²	126.1	57%	0.573	76%	0.758	S	S	*	*			cis	-174.2	163.4	26.6	58.6	0	0	0	0	117.4
1048	H	36.8	Very low	35.3	Very low	176 Å²	176	122.7 Å²	122.7	82%	0.815	74%	0.736	S	S	*	*			trans	70.4	155.8	152.7	-57.9	-43	0	0	0	120.6
1049	S	28.6	Very low	35.5	Very low	94 Å²	94	122.8 Å²	122.8	66%	0.657	73%	0.727	S	S	*	*			cis	-173.7	134.9	-20	53	0	0	0	0	115.9
1050	L	34.4	Very low	34.8	Very low	165 Å²	165	125.3 Å²	125.3	86%	0.864	73%	0.73	S	S	*	*			trans	56.4	-179.2	145.3	-64.2	-179.5	0	0	0	120.4
1051	P	47.4	Very low	34.6	Very low	103 Å²	103	125.5 Å²	125.5	67%	0.669	73%	0.731	S	S	*	*			cis	-134.1	162.5	-9.1	24.8	-0.9	0	0	0	118.9
1052	L	34.7	Very low	34.3	Very low	156 Å²	156	122.3 Å²	122.3	82%	0.817	72%	0.724	S	S	*	*			trans	63.9	158.9	147.7	-65.9	166.5	0	0	0	119.5
1053	S	29.7	Very low	34.3	Very low	118 Å²	118	119.7 Å²	119.7	83%	0.825	72%	0.715	S	S	*	*			cis	-141.9	-171.4	23.9	-163.3	0	0	0	0	114.8
1054	M	30.2	Very low	34.4	Very low	167 Å²	167	123.1 Å²	123.1	82%	0.823	72%	0.721	S	S	*	*			trans	-115.7	177.6	-156.2	-60.5	-173.1	71	0	0	117.2
1055	S	29.3	Very low	34.5	Very low	121 Å²	121	123.4 Å²	123.4	85%	0.846	72%	0.723	S	S	*	*			trans	90.5	147.9	156.6	-136.1	0	0	0	0	116.5
1056	A	32.2	Very low	34.1	Very low	90 Å²	90	124.8 Å²	124.8	74%	0.744	72%	0.723	S	S	*	*			cis	-137	172.6	10	0	0	0	0	0	114
1057	M	31.7	Very low	33.8	Very low	107 Å²	107	121 Å²	121	53%	0.527	71%	0.706	S	S	.	*			trans	-86.8	165.6	-172.6	-103.9	-162.9	166.2	0	0	115.4	Q1252 P1254	M1057-Q1252 HydrophobicContact CE-CB 4.17Å; M1057-Q1252 HydrophobicContact CE-CG 4.3Å; M1057-Q1252 HydrophobicContact CG-CG 4.46Å; M1057-Q1252 HydrophobicContact SD-CB 4.08Å; M1057-Q1252 VanDerWaalsContact SD-CD 3.54Å; M1057-Q1252 HydrophobicContact SD-CG 3.67Å; M1057-P1254 HydrophobicContact CE-CG 3.76Å; M1057-P1254 HydrophobicContact CG-CB 4.38Å; M1057-P1254 HydrophobicContact CG-CG 4.35Å
1058	P	40.3	Very low	33.9	Very low	48 Å²	48	127.2 Å²	127.2	31%	0.312	72%	0.717	S	S	.	*			trans	-98.4	-173.4	-169.6	40.6	-41.6	0	0	0	115.4	Q1252 D1253	P1058-Q1252 HydrophobicContact CG-CG 4.02Å; P1058-Q1252 PolarHBondContact O-NE2 3.41Å; P1058-D1253 WeakPolarHBondContact CD-O 3.19Å; P1058-D1253 HydrophobicContact CG-CB 4.15Å; P1058-D1253 VanDerWaalsContact CG-O 3.29Å; P1058-D1253 WeakPolarHBondContact CG-O 3.4Å
1059	Q	35.6	Very low	33.7	Very low	131 Å²	131	123 Å²	123	61%	0.612	71%	0.713	S	S	*	*			trans	58.9	109	162.2	-78.5	-168.2	-5.7	0	0	118.7	T1251	Q1059-T1251 HydrophobicContact CB-CG2 3.89Å
1060	M	30.4	Very low	34.2	Very low	186 Å²	186	129.3 Å²	129.3	92%	0.916	72%	0.722	S	S	*	*				-116	149.9	117.2	-68.2	-156.2	-67.7	0	0	107.3
1061	G	28.8	Very low	34.1	Very low	63 Å²	63	129.4 Å²	129.4	65%	0.649	72%	0.72	S	S	*	*			cis	97	91.6	24.7	0	0	0	0	0	107.7
1062	S	28.6	Very low	33.4	Very low	112 Å²	112	128.9 Å²	128.9	78%	0.783	72%	0.724	S	S	*	*				170.7	166.2	98	47.5	0	0	0	0	107.8
1063	L	35.2	Very low	33.7	Very low	111 Å²	111	127.4 Å²	127.4	58%	0.581	72%	0.724	S	S	*	*			cis	-179.1	169.7	-15.7	-98.4	175.2	0	0	0	104.9	L1248	L1063-L1248 HydrophobicContact CD1-CD1 4Å; L1063-L1248 HydrophobicContact CD1-CD2 4.08Å; L1063-L1248 HydrophobicContact CD2-CD2 3.7Å
1064	N	32.1	Very low	33.8	Very low	123 Å²	123	130.9 Å²	130.9	66%	0.658	73%	0.725	S	S	*	*			trans	61.8	98.2	151.1	-59.5	-14.2	0	0	0	119.8
1065	V	40.2	Very low	33.9	Very low	137 Å²	137	131.1 Å²	131.1	83%	0.83	73%	0.726	S	S	*	*			trans	-66.1	123.3	136.3	170.4	0	0	0	0	109.5
1066	L	39.3	Very low	34	Very low	153 Å²	153	128.2 Å²	128.2	80%	0.801	72%	0.715	S	S	*	*			trans	-159.5	112.1	147.5	-130.1	72.3	0	0	0	104.5
1067	D	33.7	Very low	34	Very low	98 Å²	98	130.6 Å²	130.6	52%	0.524	72%	0.72	S	S	.	*				54.4	130.5	71.5	-171.2	37	0	0	0	115
1068	R	33.3	Very low	34.3	Very low	212 Å²	212	131.1 Å²	131.1	80%	0.8	73%	0.734	S	S	*	*			trans	63.9	150.1	176.6	-94.3	162.2	-86.1	-156.9	-4.8	116.7
1069	A	32.6	Very low	34.2	Very low	88 Å²	88	134.7 Å²	134.7	73%	0.727	76%	0.757	S	S	*	*			cis	-137.7	163.1	6.4	0	0	0	0	0	113.4
1070	R	37.8	Very low	34.2	Very low	227 Å²	227	136.8 Å²	136.8	86%	0.857	77%	0.772	S	S	*	*			trans	-62.6	138.4	156.9	-53.9	169.4	-176	153.7	-1.2	108.6
1071	M	32.5	Very low	34.3	Very low	167 Å²	167	132.8 Å²	132.8	82%	0.823	77%	0.768	S	S	*	*			trans	-160.9	139.2	131.4	-96.2	-48	100.8	0	0	109.6
1072	A	34.5	Very low	34.6	Very low	91 Å²	91	133.6 Å²	133.6	75%	0.752	78%	0.777	S	S	*	*			trans	-119.8	108.3	159	0	0	0	0	0	106.6	F1074	A1072-F1074 PolarHBondContact O-N 2.95Å
1073	P	39.7	Very low	34.9	Very low	125 Å²	125	137.9 Å²	137.9	81%	0.812	78%	0.776	S	S	*	*			trans	-75	115.4	162.6	30.3	-28.8	0	0	0	107.9
1074	F	32.2	Very low	35.2	Very low	192 Å²	192	140 Å²	140	84%	0.842	78%	0.783	S	S	*	*			trans	-79.3	126.9	168.8	-179.4	-85.2	0	0	0	108.5	A1072	A1072-F1074 PolarHBondContact O-N 2.95Å
1075	M	32.9	Very low	35.4	Very low	171 Å²	171	143.4 Å²	143.4	84%	0.842	79%	0.786	S	S	*	*			trans	163	148.6	152.5	-92.4	-73.8	-85.2	0	0	110.8
1076	G	31.1	Very low	35.1	Very low	60 Å²	60	142.8 Å²	142.8	62%	0.619	78%	0.783	S	S	*	*			trans	114	105.1	153.3	0	0	0	0	0	118.2
1077	V	31.2	Very low	35.1	Very low	140 Å²	140	141.1 Å²	141.1	85%	0.848	78%	0.781	S	S	*	*			trans	42.8	115.1	144.6	-63	0	0	0	0	121.3
1078	S	38.6	Very low	35	Very low	119 Å²	119	145.5 Å²	145.5	83%	0.832	80%	0.798	S	S	*	*			trans	-74.8	150	141.1	-53.7	0	0	0	0	109.9
1079	P	39	Very low	35.3	Very low	122 Å²	122	141.8 Å²	141.8	79%	0.792	80%	0.799	S	S	*	*			trans	-120.5	162.2	132.3	35.3	-31.7	0	0	0	112.6
1080	L	35.6	Very low	35.6	Very low	176 Å²	176	140.7 Å²	140.7	92%	0.921	79%	0.79	S	S	*	*			trans	-79.2	139.2	176.7	-64.4	156.7	0	0	0	110.9
1081	A	31.3	Very low	35.9	Very low	102 Å²	102	138 Å²	138	84%	0.843	79%	0.785	S	S	*	*			trans	174.9	137.1	132.1	0	0	0	0	0	109.9
1082	G	36.3	Very low	36.6	Very low	80 Å²	80	135.3 Å²	135.3	83%	0.825	78%	0.78	S	S	*	*			trans	-84.6	133.4	171.9	0	0	0	0	0	111.5
1083	R	34	Very low	37.1	Very low	202 Å²	202	140.1 Å²	140.1	76%	0.762	78%	0.778	S	S	*	*			trans	-150.6	146.4	148.2	-122	-173.7	-176.4	-72.1	4.1	111.3
1084	E	42.5	Very low	37.7	Very low	156 Å²	156	137.3 Å²	137.3	73%	0.729	76%	0.757	S	S	*	*			trans	-64.6	149	176.1	-48.9	155.7	128.9	0	0	111.4
1085	R	35.6	Very low	38.7	Very low	194 Å²	194	132.3 Å²	132.3	73%	0.732	74%	0.744	S	S	*	*				-175.4	132.2	123	-101.3	166	-167.8	88.9	-8.1	113
1086	V	34.3	Very low	39.6	Very low	124 Å²	124	130 Å²	130	75%	0.752	73%	0.734	S	S	*	*			trans	65.9	134.6	146.1	-177.4	0	0	0	0	117.2
1087	P	38.2	Very low	40.9	Very low	117 Å²	117	134.5 Å²	134.5	76%	0.76	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-65.2	145	175.1	27.5	-35.8	0	0	0	112.3
1088	H	32.2	Very low	42.1	Very low	191 Å²	191	133.4 Å²	133.4	88%	0.884	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-63.1	141.1	172.9	-69.3	-66.5	0	0	0	111.7	A1090	H1088-A1090 PolarHBondContact O-N 3.1Å
1089	T	39.8	Very low	43	Very low	133 Å²	133	130.2 Å²	130.2	82%	0.816	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-62.2	120.1	-177.8	50.1	0	0	0	0	111.9
1090	A	38.7	Very low	43.8	Very low	66 Å²	66	132.4 Å²	132.4	55%	0.545	69%	0.692	S	S	.	*	P	Polyproline II helix	trans	-53	134.8	173.5	0	0	0	0	0	112.3	H1088 D1094	H1088-A1090 PolarHBondContact O-N 3.1Å; A1090-D1094 HydrophobicContact CB-CB 3.74Å
1091	F	43.8	Very low	45	Very low	170 Å²	170	132.1 Å²	132.1	75%	0.746	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-69.3	160.3	166.2	-91.7	-102.9	0	0	0	110.2	W1093 D1094	F1091-W1093 PolarHBondContact O-N 3.29Å; F1091-D1094 PolarHBondContact O-N 3.12Å
1092	P	46.2	Very low	46.4	Very low	111 Å²	111	130.4 Å²	130.4	72%	0.721	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-12.7	-173.7	-28.6	36.5	0	0	0	116.9
1093	W	45	Very low	47.8	Very low	191 Å²	191	131 Å²	131	72%	0.723	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-2.2	179.2	-63.8	101.8	0	0	0	114.8	F1091	F1091-W1093 PolarHBondContact O-N 3.29Å
1094	D	52.8	Low	49.2	Very low	67 Å²	67	124.5 Å²	124.5	36%	0.358	63%	0.625	S	S	.	*	S	Bend	trans	-82.5	-32.5	178.3	-100.6	-16.5	0	0	0	115.4	A1090 F1091 L1096 R1097 E1098	A1090-D1094 HydrophobicContact CB-CB 3.74Å; F1091-D1094 PolarHBondContact O-N 3.12Å; D1094-L1096 PolarHBondContact O-N 2.72Å; D1094-R1097 CarbonylContact O-C 3.58Å; D1094-R1097 WeakPolarHBondContact O-CA 3.11Å; D1094-R1097 WeakPolarHBondContact O-CB 3.48Å; D1094-R1097 PolarHBondContact O-N 2.91Å; D1094-R1097 IonicContact OD1-NE 2.73Å; D1094-R1097 PolarHBondContact OD1-NE 2.76Å; D1094-E1098 PolarHBondContact O-N 3.39Å
1095	P	53.8	Low	50.3	Low	87 Å²	87	122.5 Å²	122.5	57%	0.565	62%	0.619	S	S	*	*	H	α-helix	trans	-56.2	-37.5	177	-28.7	36.5	0	0	0	113.5	R1097 A1099	P1095-R1097 VanDerWaalsContact C-N 3.33Å; P1095-A1099 WeakPolarHBondContact O-CB 3.45Å; P1095-A1099 PolarHBondContact O-N 2.84Å
1096	L	52	Low	51.3	Low	122 Å²	122	118.1 Å²	118.1	64%	0.639	61%	0.606	S	S	*	*	H	α-helix	trans	-66.6	-32.7	172.5	-86.2	163.9	0	0	0	113.2	D1094 Y1100	D1094-L1096 PolarHBondContact O-N 2.72Å; L1096-Y1100 PolarHBondContact O-N 2.81Å
1097	R	58.8	Low	52.5	Low	155 Å²	155	117.4 Å²	117.4	59%	0.585	59%	0.59	S	S	*	*	H	α-helix	trans	-76.8	-40.5	-179.2	-158.6	-179.3	-55.1	-77.7	-7.6	110.9	D1094 P1095 Y1100 R1101	D1094-R1097 CarbonylContact O-C 3.58Å; D1094-R1097 WeakPolarHBondContact O-CA 3.11Å; D1094-R1097 WeakPolarHBondContact O-CB 3.48Å; D1094-R1097 PolarHBondContact O-N 2.91Å; D1094-R1097 IonicContact OD1-NE 2.73Å; D1094-R1097 PolarHBondContact OD1-NE 2.76Å; P1095-R1097 VanDerWaalsContact C-N 3.33Å; R1097-Y1100 PolarHBondContact O-N 3.15Å; R1097-R1101 WeakPolarHBondContact O-CG 3.42Å; R1097-R1101 PolarHBondContact O-N 3.46Å
1098	E	54.8	Low	53.5	Low	116 Å²	116	119 Å²	119	54%	0.542	58%	0.581	S	S	.	*	H	α-helix	trans	-72.7	-38.2	175.6	-157.6	57	-149	0	0	111.3	D1094 Y1100 R1101 S1102	D1094-E1098 PolarHBondContact O-N 3.39Å; E1098-Y1100 VanDerWaalsContact C-N 3.3Å; E1098-Y1100 PolarHBondContact O-N 3.48Å; E1098-R1101 CarbonylContact O-C 3.59Å; E1098-R1101 WeakPolarHBondContact O-CA 3.45Å; E1098-R1101 WeakPolarHBondContact O-CB 3.5Å; E1098-R1101 PolarHBondContact O-N 2.78Å; E1098-S1102 PolarHBondContact O-N 2.87Å; E1098-S1102 PolarHBondContact O-OG 2.85Å
1099	A	58.9	Low	54.4	Low	52 Å²	52	114.5 Å²	114.5	43%	0.43	56%	0.562	S	S	.	*	H	α-helix	trans	-60.4	-36.5	171	0	0	0	0	0	112.8	P1095 R1101 S1102 L1103	P1095-A1099 WeakPolarHBondContact O-CB 3.45Å; P1095-A1099 PolarHBondContact O-N 2.84Å; A1099-R1101 VanDerWaalsContact C-N 3.29Å; A1099-R1101 PolarHBondContact O-N 3.19Å; A1099-S1102 WeakPolarHBondContact CA-OG 3.44Å; A1099-S1102 PolarHBondContact O-OG 3.33Å; A1099-S1102 VanDerWaalsContact O-OG 3.11Å; A1099-L1103 WeakPolarHBondContact O-CB 3.35Å; A1099-L1103 PolarHBondContact O-N 2.77Å
1100	Y	55.2	Low	55	Low	168 Å²	168	111.5 Å²	111.5	66%	0.659	54%	0.54	S	S	*	.	H	α-helix	trans	-70.9	-26.8	174	-132.5	-90.6	0	0	0	112.7	L1096 R1097 E1098 D1104	L1096-Y1100 PolarHBondContact O-N 2.81Å; R1097-Y1100 PolarHBondContact O-N 3.15Å; E1098-Y1100 VanDerWaalsContact C-N 3.3Å; E1098-Y1100 PolarHBondContact O-N 3.48Å; Y1100-D1104 WeakPolarHBondContact O-CB 3.41Å; Y1100-D1104 PolarHBondContact O-N 3.15Å
1101	R	60.2	Low	55.5	Low	171 Å²	171	115.4 Å²	115.4	65%	0.645	55%	0.546	S	S	*	.	H	α-helix	trans	-79.4	-41.9	176.7	-66.4	-109.5	-79.1	-167.7	-7.5	111.4	R1097 E1098 A1099 D1104 L1105	R1097-R1101 WeakPolarHBondContact O-CG 3.42Å; R1097-R1101 PolarHBondContact O-N 3.46Å; E1098-R1101 CarbonylContact O-C 3.59Å; E1098-R1101 WeakPolarHBondContact O-CA 3.45Å; E1098-R1101 WeakPolarHBondContact O-CB 3.5Å; E1098-R1101 PolarHBondContact O-N 2.78Å; A1099-R1101 VanDerWaalsContact C-N 3.29Å; A1099-R1101 PolarHBondContact O-N 3.19Å; R1101-D1104 PolarHBondContact O-N 2.91Å; R1101-L1105 WeakPolarHBondContact O-CB 3.22Å; R1101-L1105 PolarHBondContact O-N 2.8Å
1102	S	61	Low	55.8	Low	66 Å²	66	113.6 Å²	113.6	46%	0.462	54%	0.539	S	S	.	.	H	α-helix	trans	-66.4	-37.6	172.6	65.5	0	0	0	0	111.5	E1098 A1099 D1104 L1105 Q1106	E1098-S1102 PolarHBondContact O-N 2.87Å; E1098-S1102 PolarHBondContact O-OG 2.85Å; A1099-S1102 WeakPolarHBondContact CA-OG 3.44Å; A1099-S1102 PolarHBondContact O-OG 3.33Å; A1099-S1102 VanDerWaalsContact O-OG 3.11Å; S1102-D1104 VanDerWaalsContact C-N 3.34Å; S1102-D1104 PolarHBondContact O-N 3.09Å; S1102-L1105 PolarHBondContact O-N 2.85Å; S1102-Q1106 WeakPolarHBondContact O-CB 3.45Å; S1102-Q1106 PolarHBondContact O-N 3.48Å
1103	L	65.3	Low	55.9	Low	92 Å²	92	113.6 Å²	113.6	48%	0.482	53%	0.533	S	S	.	.	H	α-helix	trans	-71.2	-24.6	174.9	-170	65.4	0	0	0	113.6	A1099 R1107	A1099-L1103 WeakPolarHBondContact O-CB 3.35Å; A1099-L1103 PolarHBondContact O-N 2.77Å; L1103-R1107 PolarHBondContact O-N 3.05Å; L1103-R1107 PolarHBondContact O-NE 2.9Å; L1103-R1107 PolarHBondContact O-NH2 3.32Å
1104	D	64.3	Low	56	Low	66 Å²	66	113.7 Å²	113.7	35%	0.353	53%	0.533	S	S	.	.	H	α-helix	trans	-77.6	-39.4	169	-169.9	68.1	0	0	0	111.7	Y1100 R1101 S1102 R1108	Y1100-D1104 WeakPolarHBondContact O-CB 3.41Å; Y1100-D1104 PolarHBondContact O-N 3.15Å; R1101-D1104 PolarHBondContact O-N 2.91Å; S1102-D1104 VanDerWaalsContact C-N 3.34Å; S1102-D1104 PolarHBondContact O-N 3.09Å; D1104-R1108 WeakPolarHBondContact O-CG 3.44Å; D1104-R1108 PolarHBondContact O-N 3.06Å; D1104-R1108 IonicContact OD2-CZ 3.4Å; D1104-R1108 VanDerWaalsContact OD2-CZ 3.25Å; D1104-R1108 IonicContact OD2-NE 3.31Å; D1104-R1108 PolarHBondContact OD2-NE 3.17Å; D1104-R1108 IonicContact OD2-NH2 2.71Å; D1104-R1108 PolarHBondContact OD2-NH2 2.88Å
1105	L	65.3	Low	55.5	Low	113 Å²	113	114.3 Å²	114.3	59%	0.592	55%	0.547	S	S	*	.	H	α-helix	trans	-68.5	-43.9	177.1	-158.9	70.8	0	0	0	111.7	R1101 S1102 R1107 R1108 M1109	R1101-L1105 WeakPolarHBondContact O-CB 3.22Å; R1101-L1105 PolarHBondContact O-N 2.8Å; S1102-L1105 PolarHBondContact O-N 2.85Å; L1105-R1107 PolarHBondContact O-N 3.34Å; L1105-R1108 WeakPolarHBondContact O-CB 3.31Å; L1105-R1108 PolarHBondContact O-N 2.88Å; L1105-R1108 VanDerWaalsContact O-N 3.11Å; L1105-M1109 WeakPolarHBondContact O-CG 3.43Å; L1105-M1109 PolarHBondContact O-N 3.22Å
1106	Q	57.6	Low	55	Low	102 Å²	102	113.9 Å²	113.9	48%	0.477	54%	0.538	S	S	.	.	H	α-helix	trans	-57.8	-48.5	174.5	-172.5	63.9	47.3	0	0	110.3	S1102 R1108 M1109 D1110	S1102-Q1106 WeakPolarHBondContact O-CB 3.45Å; S1102-Q1106 PolarHBondContact O-N 3.48Å; Q1106-R1108 VanDerWaalsContact C-N 3.26Å; Q1106-R1108 PolarHBondContact O-N 3.44Å; Q1106-M1109 CarbonylContact O-C 3.44Å; Q1106-M1109 WeakPolarHBondContact O-CA 3.4Å; Q1106-M1109 WeakPolarHBondContact O-CB 3.29Å; Q1106-M1109 PolarHBondContact O-N 3.25Å; Q1106-D1110 PolarHBondContact NE2-OD1 3.01Å; Q1106-D1110 WeakPolarHBondContact O-CB 3.45Å; Q1106-D1110 PolarHBondContact O-N 3.46Å
1107	R	59.4	Low	54.6	Low	110 Å²	110	111.9 Å²	111.9	42%	0.415	53%	0.525	S	S	.	.	H	α-helix	trans	-58.6	-34.9	175.5	-86.3	177.3	-69.7	-166.8	-0.2	113.3	L1103 L1105 F1111	L1103-R1107 PolarHBondContact O-N 3.05Å; L1103-R1107 PolarHBondContact O-NE 2.9Å; L1103-R1107 PolarHBondContact O-NH2 3.32Å; L1105-R1107 PolarHBondContact O-N 3.34Å; R1107-F1111 WeakPolarHBondContact O-CB 3.29Å; R1107-F1111 WeakPolarHBondContact O-CD2 3.18Å; R1107-F1111 PolarHBondContact O-N 3.47Å
1108	R	57.8	Low	53.9	Low	151 Å²	151	106.3 Å²	106.3	57%	0.57	52%	0.516	S	S	*	.	H	α-helix	trans	-68.5	-42.2	174.1	-65.8	172.5	-161	-148.3	6.7	111.7	D1104 L1105 Q1106 F1111 Q1112	D1104-R1108 WeakPolarHBondContact O-CG 3.44Å; D1104-R1108 PolarHBondContact O-N 3.06Å; D1104-R1108 IonicContact OD2-CZ 3.4Å; D1104-R1108 VanDerWaalsContact OD2-CZ 3.25Å; D1104-R1108 IonicContact OD2-NE 3.31Å; D1104-R1108 PolarHBondContact OD2-NE 3.17Å; D1104-R1108 IonicContact OD2-NH2 2.71Å; D1104-R1108 PolarHBondContact OD2-NH2 2.88Å; L1105-R1108 WeakPolarHBondContact O-CB 3.31Å; L1105-R1108 PolarHBondContact O-N 2.88Å; L1105-R1108 VanDerWaalsContact O-N 3.11Å; Q1106-R1108 VanDerWaalsContact C-N 3.26Å; Q1106-R1108 PolarHBondContact O-N 3.44Å; R1108-F1111 PolarHBondContact O-N 3.26Å; R1108-Q1112 PolarHBondContact O-N 2.85Å
1109	M	52	Low	53.4	Low	96 Å²	96	102.9 Å²	102.9	47%	0.473	50%	0.5	S	S	.	.	H	α-helix	trans	-62.1	-45.3	173.7	-64.6	-60.4	-64.9	0	0	111.3	L1105 Q1106 F1111 Q1112 L1113	L1105-M1109 WeakPolarHBondContact O-CG 3.43Å; L1105-M1109 PolarHBondContact O-N 3.22Å; Q1106-M1109 CarbonylContact O-C 3.44Å; Q1106-M1109 WeakPolarHBondContact O-CA 3.4Å; Q1106-M1109 WeakPolarHBondContact O-CB 3.29Å; Q1106-M1109 PolarHBondContact O-N 3.25Å; M1109-F1111 VanDerWaalsContact C-N 3.3Å; M1109-F1111 PolarHBondContact O-N 2.75Å; M1109-Q1112 PolarHBondContact O-N 2.93Å; M1109-L1113 VanDerWaalsContact O-CB 3.32Å; M1109-L1113 WeakPolarHBondContact O-CB 3.34Å; M1109-L1113 WeakPolarHBondContact O-CG 3.41Å; M1109-L1113 PolarHBondContact O-N 3.15Å
1110	D	52.4	Low	52.6	Low	69 Å²	69	110.1 Å²	110.1	37%	0.369	52%	0.516	S	S	.	.	H	α-helix	trans	-62.9	-34.4	177.4	-59.3	-23.2	0	0	0	112.2	Q1106 L1113 R1114	Q1106-D1110 PolarHBondContact NE2-OD1 3.01Å; Q1106-D1110 WeakPolarHBondContact O-CB 3.45Å; Q1106-D1110 PolarHBondContact O-N 3.46Å; D1110-L1113 CarbonylContact O-C 3.52Å; D1110-R1114 WeakPolarHBondContact O-CB 3.48Å; D1110-R1114 PolarHBondContact O-N 3.26Å
1111	F	49.8	Very low	51.5	Low	149 Å²	149	111.7 Å²	111.7	65%	0.654	53%	0.527	S	S	*	.	H	α-helix	trans	-72.8	-38.1	175	-98.6	-77.4	0	0	0	112.4	R1107 R1108 M1109 R1114 A1115	R1107-F1111 WeakPolarHBondContact O-CB 3.29Å; R1107-F1111 WeakPolarHBondContact O-CD2 3.18Å; R1107-F1111 PolarHBondContact O-N 3.47Å; R1108-F1111 PolarHBondContact O-N 3.26Å; M1109-F1111 VanDerWaalsContact C-N 3.3Å; M1109-F1111 PolarHBondContact O-N 2.75Å; F1111-R1114 PolarHBondContact O-N 3.28Å; F1111-A1115 WeakPolarHBondContact O-CB 3.42Å; F1111-A1115 PolarHBondContact O-N 3.29Å
1112	Q	48.6	Very low	50.9	Low	132 Å²	132	109.6 Å²	109.6	62%	0.617	54%	0.535	S	S	*	.	H	α-helix	trans	-66.6	-44.7	170.9	-69.6	-168.9	-99.7	0	0	111	R1108 M1109 R1114 A1115	R1108-Q1112 PolarHBondContact O-N 2.85Å; M1109-Q1112 PolarHBondContact O-N 2.93Å; Q1112-R1114 PolarHBondContact O-N 2.87Å; Q1112-R1114 VanDerWaalsContact O-N 3.17Å; Q1112-A1115 PolarHBondContact O-N 3.34Å
1113	L	49.3	Very low	50.1	Low	110 Å²	110	111.8 Å²	111.8	58%	0.576	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-4.7	175	-72.1	169.5	0	0	0	113.8	T294 M1109 D1110	T294-L1113 WeakPolarHBondContact CB-O 3.28Å; T294-L1113 WeakPolarHBondContact CG2-O 3.31Å; T294-L1113 VanDerWaalsContact OG1-C 3.25Å; T294-L1113 PolarHBondContact OG1-O 3.34Å; M1109-L1113 VanDerWaalsContact O-CB 3.32Å; M1109-L1113 WeakPolarHBondContact O-CB 3.34Å; M1109-L1113 WeakPolarHBondContact O-CG 3.41Å; M1109-L1113 PolarHBondContact O-N 3.15Å; D1110-L1113 CarbonylContact O-C 3.52Å
1114	R	45.9	Very low	49.1	Very low	194 Å²	194	113.8 Å²	113.8	73%	0.732	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	-23.6	174	-179.9	171.7	-65.1	165.3	4.8	114.8	T294 D1110 F1111 Q1112 E1116	T294-R1114 VanDerWaalsContact OG1-C 3.23Å; T294-R1114 VanDerWaalsContact OG1-CA 3.26Å; T294-R1114 WeakPolarHBondContact OG1-CA 3.3Å; T294-R1114 PolarHBondContact OG1-O 3.13Å; D1110-R1114 WeakPolarHBondContact O-CB 3.48Å; D1110-R1114 PolarHBondContact O-N 3.26Å; F1111-R1114 PolarHBondContact O-N 3.28Å; Q1112-R1114 PolarHBondContact O-N 2.87Å; Q1112-R1114 VanDerWaalsContact O-N 3.17Å; R1114-E1116 PolarHBondContact O-N 3.29Å
1115	A	43.5	Very low	48.1	Very low	80 Å²	80	118.2 Å²	118.2	66%	0.661	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	8.4	-168.6	0	0	0	0	0	114.5	F1111 Q1112	F1111-A1115 WeakPolarHBondContact O-CB 3.42Å; F1111-A1115 PolarHBondContact O-N 3.29Å; Q1112-A1115 PolarHBondContact O-N 3.34Å
1116	E	42.1	Very low	47.1	Very low	78 Å²	78	120.3 Å²	120.3	36%	0.364	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-151.2	-2.1	-137.4	-72.3	-131	43.8	0	0	117.4	S292 N293 T294 R1114 G1118	S292-E1116 CarbonylContact C-O 3.59Å; S292-E1116 VanDerWaalsContact C-OE1 3.31Å; S292-E1116 WeakPolarHBondContact CA-OE1 3.34Å; S292-E1116 WeakPolarHBondContact CB-O 3.04Å; S292-E1116 WeakPolarHBondContact CB-OE1 3.46Å; S292-E1116 PolarHBondContact OG-O 3.2Å; N293-E1116 VanDerWaalsContact C-CB 3.44Å; N293-E1116 CarbonylContact C-O 2.82Å; N293-E1116 VanDerWaalsContact C-O 3.26Å; N293-E1116 WeakPolarHBondContact CA-O 3.44Å; N293-E1116 PolarHBondContact N-O 3.32Å; N293-E1116 PolarHBondContact N-OE1 3.38Å; T294-E1116 PolarHBondContact N-O 3.41Å; T294-E1116 PolarHBondContact OG1-N 3.18Å; R1114-E1116 PolarHBondContact O-N 3.29Å; E1116-G1118 PolarHBondContact O-N 2.89Å
1117	Q	43.5	Very low	46.2	Very low	79 Å²	79	123.7 Å²	123.7	37%	0.369	60%	0.602	S	S	.	*			trans	-86.2	99.6	167.5	-165.8	167.3	105.9	0	0	110.9	T294 V296	T294-Q1117 VanDerWaalsContact CB-N 3.27Å; T294-Q1117 HydrophobicContact CG2-CB 4.37Å; T294-Q1117 WeakPolarHBondContact O-CB 3.46Å; T294-Q1117 PolarHBondContact O-NE2 2.72Å; T294-Q1117 PolarHBondContact OG1-N 3.08Å; V296-Q1117 HydrophobicContact CB-CB 3.83Å; V296-Q1117 VanDerWaalsContact CB-CD 3.48Å; V296-Q1117 HydrophobicContact CB-CG 4.13Å; V296-Q1117 VanDerWaalsContact CB-OE1 3.27Å; V296-Q1117 HydrophobicContact CG2-CB 4.09Å; V296-Q1117 PolarHBondContact O-NE2 2.94Å; V296-Q1117 PolarHBondContact O-OE1 2.66Å
1118	G	44.3	Very low	45.7	Very low	38 Å²	38	123 Å²	123	39%	0.392	60%	0.603	S	S	.	*			trans	-111.6	-27.7	156.7	0	0	0	0	0	114.4	S292 E1116	S292-G1118 PolarHBondContact OG-N 2.83Å; E1116-G1118 PolarHBondContact O-N 2.89Å
1119	H	44.8	Very low	45.1	Very low	44 Å²	44	123.5 Å²	123.5	20%	0.204	61%	0.605	C	S	.	*			trans	-118.1	95.4	-157.8	-48.3	-54.1	0	0	0	115.5	E290 S292	E290-H1119 WeakPolarHBondContact CB-NE2 3.24Å; E290-H1119 VanDerWaalsContact CD-ND1 3.29Å; E290-H1119 WeakPolarHBondContact CG-NE2 3.43Å; E290-H1119 IonicContact OE1-CE1 2.88Å; E290-H1119 PolarHBondContact OE1-CE1 3.33Å; E290-H1119 IonicContact OE1-ND1 4Å; E290-H1119 PolarHBondContact OE1-ND1 2.85Å; E290-H1119 IonicContact OE1-NE2 3.73Å; E290-H1119 PolarHBondContact OE1-NE2 3.36Å; E290-H1119 IonicContact OE2-CE1 2.73Å; E290-H1119 PolarHBondContact OE2-CE1 2.76Å; E290-H1119 IonicContact OE2-ND1 3.12Å; E290-H1119 IonicContact OE2-NE2 2.72Å; S292-H1119 PolarHBondContact N-CD2 3.2Å; S292-H1119 PolarHBondContact OG-CD2 2.9Å
1120	R	42.6	Very low	44.7	Very low	204 Å²	204	121.7 Å²	121.7	77%	0.77	61%	0.605	S	S	*	*	S	Bend		-153.3	162.9	89.2	-89	134.3	-174.3	176	2.9	110.9
1121	F	32.8	Very low	44.3	Very low	202 Å²	202	128 Å²	128	89%	0.886	63%	0.626	S	S	*	*			trans	77.1	114.4	177.3	-52.9	-73.1	0	0	0	117.3
1122	P	45.8	Very low	44.4	Very low	127 Å²	127	130.3 Å²	130.3	83%	0.825	63%	0.63	S	S	*	*			trans	-92.9	176.8	172.9	38.3	-35.3	0	0	0	112.9
1123	S	45.2	Very low	44.5	Very low	112 Å²	112	132.1 Å²	132.1	78%	0.783	64%	0.638	S	S	*	*	S	Bend	trans	71.8	83.3	166.4	-174.2	0	0	0	0	118
1124	V	44.1	Very low	44.7	Very low	134 Å²	134	137 Å²	137	81%	0.812	65%	0.649	S	S	*	*	S	Bend	trans	-166.7	-34	132.9	-96	0	0	0	0	111.3	E1126	V1124-E1126 VanDerWaalsContact C-N 3.26Å; V1124-E1126 PolarHBondContact O-N 2.81Å
1125	Y	43.2	Very low	44.5	Very low	159 Å²	159	136.6 Å²	136.6	62%	0.624	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	14.4	-162.8	-149.5	-107.9	0	0	0	116.6	E1128	Y1125-E1128 WeakPolarHBondContact CE2-OE2 3.14Å; Y1125-E1128 PolarHBondContact OH-OE2 3.19Å
1126	E	43.5	Very low	45	Very low	156 Å²	156	136.2 Å²	136.2	73%	0.729	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-29.8	-180	-168.7	153.2	-140.1	0	0	112.5	V1124 E1128 R1129	V1124-E1126 VanDerWaalsContact C-N 3.26Å; V1124-E1126 PolarHBondContact O-N 2.81Å; E1126-E1128 PolarHBondContact O-N 3.09Å; E1126-R1129 PolarHBondContact O-N 3.5Å
1127	Q	39.9	Very low	45.6	Very low	173 Å²	173	139.6 Å²	139.6	81%	0.808	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-26.1	-173.4	-162.7	166	9	0	0	113.8
1128	E	47.7	Very low	45.8	Very low	97 Å²	97	142.5 Å²	142.5	45%	0.453	69%	0.686	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.2	-32.6	175.1	-165.3	-178.6	172.3	0	0	111.9	Y1125 E1126 A1130 Y1131	Y1125-E1128 WeakPolarHBondContact CE2-OE2 3.14Å; Y1125-E1128 PolarHBondContact OH-OE2 3.19Å; E1126-E1128 PolarHBondContact O-N 3.09Å; E1128-A1130 PolarHBondContact O-N 2.83Å; E1128-Y1131 PolarHBondContact O-N 2.88Å
1129	R	46.7	Very low	45.9	Very low	161 Å²	161	150.8 Å²	150.8	61%	0.608	71%	0.707	S	S	*	*	H	α-helix	trans	-64.9	-39.1	-178.8	-170	177.5	-66.9	141.5	0.6	112.2	E1126 Y1131 R1132 E1133	E1126-R1129 PolarHBondContact O-N 3.5Å; R1129-Y1131 PolarHBondContact O-N 2.73Å; R1129-R1132 PolarHBondContact O-N 2.89Å; R1129-E1133 PolarHBondContact O-N 2.93Å
1130	A	43.8	Very low	46.2	Very low	58 Å²	58	152 Å²	152	48%	0.479	72%	0.72	S	S	.	*	H	α-helix	trans	-65.9	-16.9	178.2	0	0	0	0	0	114.1	E1128	E1128-A1130 PolarHBondContact O-N 2.83Å
1131	Y	42.3	Very low	46.7	Very low	202 Å²	202	148.8 Å²	148.8	79%	0.792	71%	0.713	S	S	*	*	H	α-helix	trans	-82.8	-37.3	173.8	-156.1	-91.2	0	0	0	111.7	E1128 R1129 E1133 R1134	E1128-Y1131 PolarHBondContact O-N 2.88Å; R1129-Y1131 PolarHBondContact O-N 2.73Å; Y1131-E1133 VanDerWaalsContact C-N 3.26Å; Y1131-E1133 PolarHBondContact O-N 3.42Å; Y1131-R1134 PolarHBondContact O-N 2.95Å
1132	R	52.4	Low	48	Very low	197 Å²	197	144.9 Å²	144.9	74%	0.743	70%	0.698	S	S	*	*	H	α-helix	trans	-65.8	-23.5	176.5	-72.6	-69.3	-167.8	113.2	6.2	114.1	R1129	R1129-R1132 PolarHBondContact O-N 2.89Å
1133	E	50.1	Low	48.8	Very low	169 Å²	169	144.1 Å²	144.1	79%	0.79	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-10.8	-178.1	-167.1	164.7	-154.8	0	0	113.5	R1129 Y1131	R1129-E1133 PolarHBondContact O-N 2.93Å; Y1131-E1133 VanDerWaalsContact C-N 3.26Å; Y1131-E1133 PolarHBondContact O-N 3.42Å
1134	R	54.6	Low	50	Low	213 Å²	213	144.1 Å²	144.1	80%	0.804	67%	0.671	S	S	*	*	S	Bend	trans	-88.9	-11	-176.5	-162.8	168.1	-66.3	-172.4	0.3	114.5	Y1131 A1136	Y1131-R1134 PolarHBondContact O-N 2.95Å; R1134-A1136 VanDerWaalsContact C-N 3.32Å; R1134-A1136 PolarHBondContact O-N 2.81Å
1135	E	41.8	Very low	51.4	Low	185 Å²	185	143.2 Å²	143.2	86%	0.864	66%	0.661	S	S	*	*			trans	-81.9	76.7	176.8	-168.3	166.5	-139.2	0	0	110.8
1136	A	53	Low	53	Low	72 Å²	72	138.3 Å²	138.3	60%	0.595	65%	0.645	S	S	*	*			trans	-85.6	128.6	-177	0	0	0	0	0	113	R1134	R1134-A1136 VanDerWaalsContact C-N 3.32Å; R1134-A1136 PolarHBondContact O-N 2.81Å
1137	H	54.9	Low	54.7	Low	150 Å²	150	133.8 Å²	133.8	69%	0.694	62%	0.624	S	S	*	*			trans	72.9	83	154.7	-48.6	-35.6	0	0	0	120
1138	D	47.6	Very low	56.5	Low	140 Å²	140	128.4 Å²	128.4	75%	0.749	60%	0.602	S	S	*	*	S	Bend	trans	-114.5	-41.1	142.9	-99.1	-48.5	0	0	0	112.4	S1140 H1141	D1138-S1140 PolarHBondContact O-N 3.18Å; D1138-S1140 VanDerWaalsContact O-N 3.12Å; D1138-H1141 PolarHBondContact O-N 2.75Å; D1138-H1141 VanDerWaalsContact O-N 3.08Å
1139	Y	46.2	Very low	58.1	Low	211 Å²	211	132 Å²	132	83%	0.827	61%	0.612	S	S	*	*	H	α-helix	trans	-60.7	-25.3	179.5	-74.9	-85	0	0	0	114.6	H1141 H1142 E1143	Y1139-H1141 VanDerWaalsContact C-N 3.26Å; Y1139-H1141 PolarHBondContact O-N 3.4Å; Y1139-H1142 PolarHBondContact O-N 2.95Å; Y1139-E1143 PolarHBondContact O-N 2.72Å
1140	S	51.2	Low	60	Low	69 Å²	69	130.8 Å²	130.8	48%	0.483	61%	0.607	S	S	.	*	H	α-helix	trans	-60	-36	175.8	-171	0	0	0	0	112.1	D1138 H1142 E1143 H1144	D1138-S1140 PolarHBondContact O-N 3.18Å; D1138-S1140 VanDerWaalsContact O-N 3.12Å; S1140-H1142 VanDerWaalsContact C-N 3.32Å; S1140-H1142 PolarHBondContact O-N 3.21Å; S1140-E1143 PolarHBondContact O-N 2.86Å; S1140-H1144 VanDerWaalsContact O-CB 3.28Å; S1140-H1144 WeakPolarHBondContact O-CB 3.31Å; S1140-H1144 PolarHBondContact O-N 2.74Å
1141	H	54.7	Low	62.1	Low	137 Å²	137	132.9 Å²	132.9	63%	0.634	61%	0.607	S	S	*	*	H	α-helix	trans	-68.5	-30.5	-178.4	-114.6	-56.3	0	0	0	112.8	D1138 Y1139 L1145	D1138-H1141 PolarHBondContact O-N 2.75Å; D1138-H1141 VanDerWaalsContact O-N 3.08Å; Y1139-H1141 VanDerWaalsContact C-N 3.26Å; Y1139-H1141 PolarHBondContact O-N 3.4Å; H1141-L1145 WeakPolarHBondContact O-CB 3.28Å; H1141-L1145 PolarHBondContact O-N 3.05Å
1142	H	58.6	Low	64.1	Low	120 Å²	120	128.5 Å²	128.5	56%	0.556	59%	0.594	S	S	*	*	H	α-helix	trans	-72.7	-49.4	176.5	-167.4	82	0	0	0	111.7	Y1139 S1140 H1144 L1145 L1146	Y1139-H1142 PolarHBondContact O-N 2.95Å; S1140-H1142 VanDerWaalsContact C-N 3.32Å; S1140-H1142 PolarHBondContact O-N 3.21Å; H1142-H1144 VanDerWaalsContact C-N 3.31Å; H1142-H1144 PolarHBondContact O-N 2.94Å; H1142-L1145 PolarHBondContact O-N 2.88Å; H1142-L1145 VanDerWaalsContact O-N 3.12Å; H1142-L1146 WeakPolarHBondContact O-CG 3.46Å; H1142-L1146 PolarHBondContact O-N 3.05Å
1143	E	63.1	Low	65.7	Low	112 Å²	112	122.9 Å²	122.9	52%	0.523	58%	0.576	S	S	.	*	H	α-helix	trans	-61.1	-39.6	175.3	-77.4	-60.3	115	0	0	111.6	Y1139 S1140 L1145 L1146 E1147	Y1139-E1143 PolarHBondContact O-N 2.72Å; S1140-E1143 PolarHBondContact O-N 2.86Å; E1143-L1145 PolarHBondContact O-N 3.42Å; E1143-L1146 PolarHBondContact O-N 3.07Å; E1143-E1147 WeakPolarHBondContact O-CB 3.41Å; E1143-E1147 PolarHBondContact O-N 3.19Å
1144	H	71.4	Confident	67.5	Low	112 Å²	112	121.1 Å²	121.1	52%	0.519	56%	0.562	S	S	.	*	H	α-helix	trans	-63.6	-38.9	173.5	-174	69.1	0	0	0	112.2	S1140 H1142 L1146 E1147 V1148	S1140-H1144 VanDerWaalsContact O-CB 3.28Å; S1140-H1144 WeakPolarHBondContact O-CB 3.31Å; S1140-H1144 PolarHBondContact O-N 2.74Å; H1142-H1144 VanDerWaalsContact C-N 3.31Å; H1142-H1144 PolarHBondContact O-N 2.94Å; H1144-L1146 VanDerWaalsContact C-N 3.34Å; H1144-L1146 PolarHBondContact O-N 3.38Å; H1144-E1147 PolarHBondContact O-N 2.87Å; H1144-V1148 WeakPolarHBondContact O-CB 3.43Å; H1144-V1148 VanDerWaalsContact O-CG2 3.27Å; H1144-V1148 WeakPolarHBondContact O-CG2 3.23Å; H1144-V1148 PolarHBondContact O-N 3.17Å
1145	L	73.7	Confident	68.8	Low	114 Å²	114	116.9 Å²	116.9	60%	0.597	55%	0.553	S	S	*	*	H	α-helix	trans	-68.4	-33.4	176.1	-144.3	76.9	0	0	0	112.4	H1141 H1142 E1143 R1149	H1141-L1145 WeakPolarHBondContact O-CB 3.28Å; H1141-L1145 PolarHBondContact O-N 3.05Å; H1142-L1145 PolarHBondContact O-N 2.88Å; H1142-L1145 VanDerWaalsContact O-N 3.12Å; E1143-L1145 PolarHBondContact O-N 3.42Å; L1145-R1149 WeakPolarHBondContact O-CB 3.46Å; L1145-R1149 PolarHBondContact O-N 2.71Å
1146	L	76.3	Confident	71.1	Confident	56 Å²	56	113.3 Å²	113.3	29%	0.293	53%	0.531	S	S	.	.	H	α-helix	trans	-71.6	-39	172.9	-69.4	178.9	0	0	0	112.1	H1142 E1143 H1144 R1149 R1150	H1142-L1146 WeakPolarHBondContact O-CG 3.46Å; H1142-L1146 PolarHBondContact O-N 3.05Å; E1143-L1146 PolarHBondContact O-N 3.07Å; H1144-L1146 VanDerWaalsContact C-N 3.34Å; H1144-L1146 PolarHBondContact O-N 3.38Å; L1146-R1149 WeakPolarHBondContact O-CB 3.38Å; L1146-R1149 PolarHBondContact O-N 2.81Å; L1146-R1150 WeakPolarHBondContact O-CB 3.44Å; L1146-R1150 PolarHBondContact O-N 3.25Å
1147	E	78.5	Confident	72.6	Confident	62 Å²	62	115.2 Å²	115.2	29%	0.29	53%	0.528	S	S	.	.	H	α-helix	trans	-72.4	-37.1	175.5	-172	56	-121.8	0	0	111.8	E1143 H1144 R1149 R1150 E1151 R1154	E1143-E1147 WeakPolarHBondContact O-CB 3.41Å; E1143-E1147 PolarHBondContact O-N 3.19Å; H1144-E1147 PolarHBondContact O-N 2.87Å; E1147-R1149 VanDerWaalsContact C-N 3.3Å; E1147-R1149 PolarHBondContact O-N 3.36Å; E1147-R1150 CarbonylContact O-C 3.53Å; E1147-R1150 WeakPolarHBondContact O-CA 3.3Å; E1147-R1150 WeakPolarHBondContact O-CB 3.49Å; E1147-R1150 PolarHBondContact O-N 2.7Å; E1147-R1150 VanDerWaalsContact O-N 3.09Å; E1147-R1150 WeakPolarHBondContact OE2-CD 3.25Å; E1147-R1150 IonicContact OE2-CZ 2.79Å; E1147-R1150 IonicContact OE2-NE 3.25Å; E1147-R1150 IonicContact OE2-NH1 3.05Å; E1147-R1150 PolarHBondContact OE2-NH1 3.4Å; E1147-E1151 WeakPolarHBondContact O-CB 3.18Å; E1147-E1151 PolarHBondContact O-N 3.1Å; E1147-R1154 IonicContact OE1-CZ 2.68Å; E1147-R1154 IonicContact OE1-NH2 3.98Å; E1147-R1154 PolarHBondContact OE1-NH2 3.24Å
1148	V	78.9	Confident	74.1	Confident	59 Å²	59	112.3 Å²	112.3	36%	0.358	52%	0.515	S	S	.	.	H	α-helix	trans	-64.1	-36.3	170.6	167.8	0	0	0	0	110.9	H1144 H1152	H1144-V1148 WeakPolarHBondContact O-CB 3.43Å; H1144-V1148 VanDerWaalsContact O-CG2 3.27Å; H1144-V1148 WeakPolarHBondContact O-CG2 3.23Å; H1144-V1148 PolarHBondContact O-N 3.17Å; V1148-H1152 VanDerWaalsContact O-CB 3.26Å; V1148-H1152 WeakPolarHBondContact O-CB 3.12Å; V1148-H1152 PolarHBondContact O-N 3.2Å
1149	R	80.5	Confident	76	Confident	174 Å²	174	108.3 Å²	108.3	66%	0.657	50%	0.501	S	S	*	.	H	α-helix	trans	-64.4	-40.9	170	179.8	177.1	-73.8	172.7	-2.6	111.4	L1145 L1146 E1147 H1152 E1153	L1145-R1149 WeakPolarHBondContact O-CB 3.46Å; L1145-R1149 PolarHBondContact O-N 2.71Å; L1146-R1149 WeakPolarHBondContact O-CB 3.38Å; L1146-R1149 PolarHBondContact O-N 2.81Å; E1147-R1149 VanDerWaalsContact C-N 3.3Å; E1147-R1149 PolarHBondContact O-N 3.36Å; R1149-H1152 PolarHBondContact O-N 3.5Å; R1149-E1153 WeakPolarHBondContact O-CB 3.28Å; R1149-E1153 PolarHBondContact O-N 2.79Å
1150	R	86.4	Confident	78.1	Confident	134 Å²	134	104.2 Å²	104.2	51%	0.506	49%	0.489	S	S	.	.	H	α-helix	trans	-68.2	-37.5	177.5	-167.1	-177.4	-64	154.2	-4.1	112.2	L1146 E1147 E1153 R1154	L1146-R1150 WeakPolarHBondContact O-CB 3.44Å; L1146-R1150 PolarHBondContact O-N 3.25Å; E1147-R1150 CarbonylContact O-C 3.53Å; E1147-R1150 WeakPolarHBondContact O-CA 3.3Å; E1147-R1150 WeakPolarHBondContact O-CB 3.49Å; E1147-R1150 PolarHBondContact O-N 2.7Å; E1147-R1150 VanDerWaalsContact O-N 3.09Å; E1147-R1150 WeakPolarHBondContact OE2-CD 3.25Å; E1147-R1150 IonicContact OE2-CZ 2.79Å; E1147-R1150 IonicContact OE2-NE 3.25Å; E1147-R1150 IonicContact OE2-NH1 3.05Å; E1147-R1150 PolarHBondContact OE2-NH1 3.4Å; R1150-E1153 WeakPolarHBondContact O-CB 3.04Å; R1150-E1153 PolarHBondContact O-N 2.77Å; R1150-R1154 WeakPolarHBondContact O-CG 3.3Å; R1150-R1154 PolarHBondContact O-N 3.34Å
1151	E	87.3	Confident	80	Confident	102 Å²	102	106.3 Å²	106.3	48%	0.477	49%	0.492	S	S	.	.	H	α-helix	trans	-67.9	-44.6	172.6	-174.4	-171.3	-137.8	0	0	111.1	E1147 E1153 R1154 M1155	E1147-E1151 WeakPolarHBondContact O-CB 3.18Å; E1147-E1151 PolarHBondContact O-N 3.1Å; E1151-E1153 VanDerWaalsContact C-N 3.26Å; E1151-E1153 PolarHBondContact O-N 2.81Å; E1151-R1154 CarbonylContact O-C 3.45Å; E1151-R1154 WeakPolarHBondContact O-CB 3.35Å; E1151-R1154 PolarHBondContact O-N 2.9Å; E1151-R1154 VanDerWaalsContact O-N 3.13Å; E1151-M1155 WeakPolarHBondContact O-CB 3.49Å; E1151-M1155 WeakPolarHBondContact O-CG 2.93Å; E1151-M1155 PolarHBondContact O-N 2.9Å
1152	H	85.9	Confident	81.6	Confident	111 Å²	111	106.8 Å²	106.8	51%	0.514	49%	0.488	S	S	.	.	H	α-helix	trans	-62.3	-35	175.7	-178.6	69.5	0	0	0	112.1	V1148 R1149 M1155 R1156	V1148-H1152 VanDerWaalsContact O-CB 3.26Å; V1148-H1152 WeakPolarHBondContact O-CB 3.12Å; V1148-H1152 PolarHBondContact O-N 3.2Å; R1149-H1152 PolarHBondContact O-N 3.5Å; H1152-M1155 PolarHBondContact O-N 2.95Å; H1152-R1156 PolarHBondContact CD2-NH2 2.8Å; H1152-R1156 PolarHBondContact O-N 3.32Å
1153	E	84.4	Confident	83.2	Confident	78 Å²	78	107.2 Å²	107.2	36%	0.364	49%	0.49	S	S	.	.	H	α-helix	trans	-63.7	-47.7	170.9	-156.2	65.9	-156.4	0	0	111.5	R1149 R1150 E1151 M1155 R1156 Q1157	R1149-E1153 WeakPolarHBondContact O-CB 3.28Å; R1149-E1153 PolarHBondContact O-N 2.79Å; R1150-E1153 WeakPolarHBondContact O-CB 3.04Å; R1150-E1153 PolarHBondContact O-N 2.77Å; E1151-E1153 VanDerWaalsContact C-N 3.26Å; E1151-E1153 PolarHBondContact O-N 2.81Å; E1153-M1155 VanDerWaalsContact C-N 3.34Å; E1153-M1155 PolarHBondContact O-N 3.33Å; E1153-R1156 PolarHBondContact O-N 2.94Å; E1153-R1156 IonicContact OE1-CZ 2.88Å; E1153-R1156 IonicContact OE1-NH1 2.73Å; E1153-R1156 PolarHBondContact OE1-NH1 3.11Å; E1153-R1156 IonicContact OE2-CZ 3.26Å; E1153-R1156 IonicContact OE2-NH1 2.65Å; E1153-R1156 PolarHBondContact OE2-NH1 2.97Å; E1153-R1156 IonicContact OE2-NH2 2.75Å; E1153-R1156 PolarHBondContact OE2-NH2 2.8Å; E1153-Q1157 WeakPolarHBondContact O-CG 3.39Å; E1153-Q1157 PolarHBondContact O-N 3.38Å
1154	R	89.3	Confident	84.5	Confident	133 Å²	133	110.7 Å²	110.7	50%	0.502	50%	0.498	S	S	.	.	H	α-helix	trans	-59.3	-41.1	174.4	-73.1	-177.4	-76.8	140.6	-9.8	112.4	E1147 R1150 E1151 Q1157 Q1158	E1147-R1154 IonicContact OE1-CZ 2.68Å; E1147-R1154 IonicContact OE1-NH2 3.98Å; E1147-R1154 PolarHBondContact OE1-NH2 3.24Å; R1150-R1154 WeakPolarHBondContact O-CG 3.3Å; R1150-R1154 PolarHBondContact O-N 3.34Å; E1151-R1154 CarbonylContact O-C 3.45Å; E1151-R1154 WeakPolarHBondContact O-CB 3.35Å; E1151-R1154 PolarHBondContact O-N 2.9Å; E1151-R1154 VanDerWaalsContact O-N 3.13Å; R1154-Q1157 PolarHBondContact O-N 2.79Å; R1154-Q1158 PolarHBondContact O-N 3.2Å
1155	M	81.9	Confident	85.5	Confident	123 Å²	123	110.3 Å²	110.3	61%	0.606	50%	0.499	S	S	*	.	H	α-helix	trans	-64.3	-39.2	175.7	-80.7	-99.8	-76.7	0	0	112.3	E1151 H1152 E1153 Q1158 A1159	E1151-M1155 WeakPolarHBondContact O-CB 3.49Å; E1151-M1155 WeakPolarHBondContact O-CG 2.93Å; E1151-M1155 PolarHBondContact O-N 2.9Å; H1152-M1155 PolarHBondContact O-N 2.95Å; E1153-M1155 VanDerWaalsContact C-N 3.34Å; E1153-M1155 PolarHBondContact O-N 3.33Å; M1155-Q1158 PolarHBondContact O-N 2.83Å; M1155-A1159 PolarHBondContact O-N 3.19Å
1156	R	88.4	Confident	86.4	Confident	111 Å²	111	109 Å²	109	42%	0.419	49%	0.49	S	S	.	.	H	α-helix	trans	-65.6	-45.6	175.2	-161.1	-172.3	-46.3	118.8	19.3	111.1	H1152 E1153 Q1158 A1159 E1160	H1152-R1156 PolarHBondContact CD2-NH2 2.8Å; H1152-R1156 PolarHBondContact O-N 3.32Å; E1153-R1156 PolarHBondContact O-N 2.94Å; E1153-R1156 IonicContact OE1-CZ 2.88Å; E1153-R1156 IonicContact OE1-NH1 2.73Å; E1153-R1156 PolarHBondContact OE1-NH1 3.11Å; E1153-R1156 IonicContact OE2-CZ 3.26Å; E1153-R1156 IonicContact OE2-NH1 2.65Å; E1153-R1156 PolarHBondContact OE2-NH1 2.97Å; E1153-R1156 IonicContact OE2-NH2 2.75Å; E1153-R1156 PolarHBondContact OE2-NH2 2.8Å; R1156-Q1158 VanDerWaalsContact C-N 3.31Å; R1156-Q1158 PolarHBondContact O-N 2.76Å; R1156-A1159 WeakPolarHBondContact O-CB 3.49Å; R1156-A1159 PolarHBondContact O-N 3.48Å; R1156-A1159 VanDerWaalsContact O-N 3.08Å; R1156-E1160 PolarHBondContact O-N 2.55Å
1157	Q	86.1	Confident	87.2	Confident	112 Å²	112	111 Å²	111	52%	0.523	50%	0.5	S	S	.	.	H	α-helix	trans	-60.9	-38.3	175.7	-69.5	171	4.3	0	0	111.9	E1153 R1154 A1159 E1160 E1161	E1153-Q1157 WeakPolarHBondContact O-CG 3.39Å; E1153-Q1157 PolarHBondContact O-N 3.38Å; R1154-Q1157 PolarHBondContact O-N 2.79Å; Q1157-A1159 VanDerWaalsContact C-N 3.33Å; Q1157-A1159 PolarHBondContact O-N 2.8Å; Q1157-E1160 PolarHBondContact O-N 2.87Å; Q1157-E1161 VanDerWaalsContact O-CB 3.25Å; Q1157-E1161 WeakPolarHBondContact O-CB 3.46Å; Q1157-E1161 PolarHBondContact O-N 3.46Å
1158	Q	85.1	Confident	87.9	Confident	89 Å²	89	115.8 Å²	115.8	42%	0.416	52%	0.516	S	S	.	.	H	α-helix	trans	-73.7	-21.2	175.3	-153.3	-164.4	56.6	0	0	113.6	R1154 M1155 R1156 R1162	R1154-Q1158 PolarHBondContact O-N 3.2Å; M1155-Q1158 PolarHBondContact O-N 2.83Å; R1156-Q1158 VanDerWaalsContact C-N 3.31Å; R1156-Q1158 PolarHBondContact O-N 2.76Å; Q1158-R1162 VanDerWaalsContact CD-NH1 3.32Å; Q1158-R1162 WeakPolarHBondContact O-CG 3.28Å; Q1158-R1162 PolarHBondContact O-N 3.32Å; Q1158-R1162 PolarHBondContact O-NH1 2.99Å; Q1158-R1162 VanDerWaalsContact O-NH1 3.13Å; Q1158-R1162 VanDerWaalsContact OE1-CZ 3.27Å
1159	A	87.3	Confident	88.5	Confident	55 Å²	55	118 Å²	118	46%	0.455	52%	0.522	S	S	.	.	H	α-helix	trans	-76.4	-46.7	170.9	0	0	0	0	0	110.6	M1155 R1156 Q1157 E1161 R1162 E1163	M1155-A1159 PolarHBondContact O-N 3.19Å; R1156-A1159 WeakPolarHBondContact O-CB 3.49Å; R1156-A1159 PolarHBondContact O-N 3.48Å; R1156-A1159 VanDerWaalsContact O-N 3.08Å; Q1157-A1159 VanDerWaalsContact C-N 3.33Å; Q1157-A1159 PolarHBondContact O-N 2.8Å; A1159-E1161 VanDerWaalsContact C-N 3.34Å; A1159-E1161 PolarHBondContact O-N 3.14Å; A1159-R1162 PolarHBondContact O-N 2.81Å; A1159-E1163 PolarHBondContact O-N 3.45Å
1160	E	91.6	Very high	88.9	Confident	126 Å²	126	113.8 Å²	113.8	59%	0.589	51%	0.51	S	S	*	.	H	α-helix	trans	-61.5	-39.5	174.5	-171.6	177.3	171.4	0	0	111.7	R1156 Q1157 E1163 R1164	R1156-E1160 PolarHBondContact O-N 2.55Å; Q1157-E1160 PolarHBondContact O-N 2.87Å; E1160-E1163 PolarHBondContact O-N 3.11Å; E1160-R1164 VanDerWaalsContact O-CB 3.32Å; E1160-R1164 WeakPolarHBondContact O-CB 3.22Å; E1160-R1164 PolarHBondContact O-N 2.73Å
1161	E	89.8	Confident	89.3	Confident	113 Å²	113	112.4 Å²	112.4	53%	0.528	51%	0.512	S	S	.	.	H	α-helix	trans	-62.8	-43.8	172.6	-177.7	177	-136.8	0	0	112	Q1157 A1159 R1164 L1165	Q1157-E1161 VanDerWaalsContact O-CB 3.25Å; Q1157-E1161 WeakPolarHBondContact O-CB 3.46Å; Q1157-E1161 PolarHBondContact O-N 3.46Å; A1159-E1161 VanDerWaalsContact C-N 3.34Å; A1159-E1161 PolarHBondContact O-N 3.14Å; E1161-R1164 PolarHBondContact O-N 3.46Å; E1161-L1165 HydrophobicContact CG-CD1 4.09Å; E1161-L1165 HydrophobicContact CG-CG 4.49Å; E1161-L1165 WeakPolarHBondContact O-CB 3.47Å; E1161-L1165 VanDerWaalsContact O-CG 3.28Å; E1161-L1165 WeakPolarHBondContact O-CG 3.43Å; E1161-L1165 PolarHBondContact O-N 2.77Å
1162	R	89.3	Confident	89.3	Confident	146 Å²	146	110.7 Å²	110.7	55%	0.551	51%	0.506	S	S	*	.	H	α-helix	trans	-63.7	-39.4	174.8	-80.5	-171.5	-168.8	85.9	-2.6	112.4	Q1158 A1159 L1165 H1166	Q1158-R1162 VanDerWaalsContact CD-NH1 3.32Å; Q1158-R1162 WeakPolarHBondContact O-CG 3.28Å; Q1158-R1162 PolarHBondContact O-N 3.32Å; Q1158-R1162 PolarHBondContact O-NH1 2.99Å; Q1158-R1162 VanDerWaalsContact O-NH1 3.13Å; Q1158-R1162 VanDerWaalsContact OE1-CZ 3.27Å; A1159-R1162 PolarHBondContact O-N 2.81Å; R1162-L1165 PolarHBondContact O-N 3.25Å; R1162-H1166 WeakPolarHBondContact O-CB 3.22Å; R1162-H1166 PolarHBondContact O-N 3.45Å
1163	E	91	Very high	89.4	Confident	129 Å²	129	109.8 Å²	109.8	60%	0.603	50%	0.498	S	S	*	.	H	α-helix	trans	-64.3	-43.8	174.4	-175.1	170.7	-171.1	0	0	110.9	A1159 E1160 L1165 H1166 L1167	A1159-E1163 PolarHBondContact O-N 3.45Å; E1160-E1163 PolarHBondContact O-N 3.11Å; E1163-L1165 VanDerWaalsContact C-N 3.33Å; E1163-L1165 PolarHBondContact O-N 2.98Å; E1163-H1166 PolarHBondContact O-N 3.41Å; E1163-L1167 HydrophobicContact CG-CD1 4.15Å; E1163-L1167 WeakPolarHBondContact O-CB 3.42Å; E1163-L1167 VanDerWaalsContact O-CG 3.31Å; E1163-L1167 WeakPolarHBondContact O-CG 3.26Å; E1163-L1167 PolarHBondContact O-N 3.05Å
1164	R	92.1	Very high	89.3	Confident	186 Å²	186	108.6 Å²	108.6	70%	0.702	50%	0.502	S	S	*	.	H	α-helix	trans	-67.2	-30.9	177.5	-149	-175.8	79.8	87.8	0.6	113.3	E1160 E1161 R1168	E1160-R1164 VanDerWaalsContact O-CB 3.32Å; E1160-R1164 WeakPolarHBondContact O-CB 3.22Å; E1160-R1164 PolarHBondContact O-N 2.73Å; E1161-R1164 PolarHBondContact O-N 3.46Å; R1164-R1168 PolarHBondContact O-N 3.37Å
1165	L	91.4	Very high	89	Confident	103 Å²	103	110.2 Å²	110.2	54%	0.539	51%	0.508	S	S	.	.	H	α-helix	trans	-72.7	-43.5	170.5	-73.5	170.2	0	0	0	111.2	E1161 R1162 E1163 R1168 E1169	E1161-L1165 HydrophobicContact CG-CD1 4.09Å; E1161-L1165 HydrophobicContact CG-CG 4.49Å; E1161-L1165 WeakPolarHBondContact O-CB 3.47Å; E1161-L1165 VanDerWaalsContact O-CG 3.28Å; E1161-L1165 WeakPolarHBondContact O-CG 3.43Å; E1161-L1165 PolarHBondContact O-N 2.77Å; R1162-L1165 PolarHBondContact O-N 3.25Å; E1163-L1165 VanDerWaalsContact C-N 3.33Å; E1163-L1165 PolarHBondContact O-N 2.98Å; L1165-R1168 PolarHBondContact O-N 3.46Å; L1165-R1168 VanDerWaalsContact O-N 3.16Å; L1165-E1169 PolarHBondContact O-N 3.38Å
1166	H	92.7	Very high	88.7	Confident	86 Å²	86	108.5 Å²	108.5	40%	0.398	50%	0.501	S	S	.	.	H	α-helix	trans	-61.7	-46.1	176.4	-174	-100.8	0	0	0	111.7	R1162 E1163 R1168 E1169 E1170	R1162-H1166 WeakPolarHBondContact O-CB 3.22Å; R1162-H1166 PolarHBondContact O-N 3.45Å; E1163-H1166 PolarHBondContact O-N 3.41Å; H1166-R1168 PolarHBondContact O-N 2.96Å; H1166-E1169 CarbonylContact O-C 3.16Å; H1166-E1169 PolarHBondContact O-N 2.78Å; H1166-E1169 VanDerWaalsContact O-N 3.12Å; H1166-E1170 IonicContact CE1-OE1 2.67Å; H1166-E1170 PolarHBondContact CE1-OE1 2.64Å; H1166-E1170 IonicContact CE1-OE2 3.05Å; H1166-E1170 PolarHBondContact CE1-OE2 2.88Å; H1166-E1170 IonicContact ND1-OE2 2.8Å; H1166-E1170 PolarHBondContact ND1-OE2 2.91Å; H1166-E1170 WeakPolarHBondContact O-CB 3.3Å; H1166-E1170 WeakPolarHBondContact O-CG 3.38Å; H1166-E1170 PolarHBondContact O-N 2.68Å
1167	L	93.6	Very high	87.9	Confident	98 Å²	98	109 Å²	109	51%	0.513	51%	0.508	S	S	.	.	H	α-helix	trans	-61.2	-31.5	175.1	-72.3	169.7	0	0	0	112.4	E1163 L1171	E1163-L1167 HydrophobicContact CG-CD1 4.15Å; E1163-L1167 WeakPolarHBondContact O-CB 3.42Å; E1163-L1167 VanDerWaalsContact O-CG 3.31Å; E1163-L1167 WeakPolarHBondContact O-CG 3.26Å; E1163-L1167 PolarHBondContact O-N 3.05Å; L1167-L1171 WeakPolarHBondContact O-CB 3.43Å; L1167-L1171 PolarHBondContact O-N 3.14Å
1168	R	92.9	Very high	86.9	Confident	164 Å²	164	110.8 Å²	110.8	62%	0.619	52%	0.516	S	S	*	.	H	α-helix	trans	-73.9	-42	172.6	-175.7	168.9	-176.8	158.5	3.2	112	R1164 L1165 H1166 E1170 L1171 D1172	R1164-R1168 PolarHBondContact O-N 3.37Å; L1165-R1168 PolarHBondContact O-N 3.46Å; L1165-R1168 VanDerWaalsContact O-N 3.16Å; H1166-R1168 PolarHBondContact O-N 2.96Å; R1168-E1170 VanDerWaalsContact C-N 3.3Å; R1168-E1170 PolarHBondContact O-N 3.14Å; R1168-L1171 PolarHBondContact O-N 2.68Å; R1168-D1172 IonicContact NE-OD2 3.48Å; R1168-D1172 WeakPolarHBondContact O-CB 3.44Å; R1168-D1172 PolarHBondContact O-N 3.25Å
1169	E	90.6	Very high	86	Confident	104 Å²	104	112 Å²	112	49%	0.486	53%	0.525	S	S	.	.	H	α-helix	trans	-64.6	-36	175.1	-153.4	-157.2	141.7	0	0	111.4	L1165 H1166 R1173	L1165-E1169 PolarHBondContact O-N 3.38Å; H1166-E1169 CarbonylContact O-C 3.16Å; H1166-E1169 PolarHBondContact O-N 2.78Å; H1166-E1169 VanDerWaalsContact O-N 3.12Å; E1169-R1173 WeakPolarHBondContact O-CB 3.11Å; E1169-R1173 VanDerWaalsContact O-CG 3.24Å; E1169-R1173 WeakPolarHBondContact O-CG 3.23Å; E1169-R1173 PolarHBondContact O-N 3.44Å; E1169-R1173 IonicContact OE1-CZ 2.65Å; E1169-R1173 IonicContact OE1-NE 3.48Å; E1169-R1173 PolarHBondContact OE1-NE 3.32Å; E1169-R1173 IonicContact OE1-NH2 2.66Å; E1169-R1173 PolarHBondContact OE1-NH2 3.31Å; E1169-R1173 IonicContact OE2-NH2 3.1Å; E1169-R1173 PolarHBondContact OE2-NH2 3.15Å; E1169-R1173 VanDerWaalsContact OE2-NH2 3.08Å
1170	E	90.7	Very high	84.6	Confident	87 Å²	87	115.6 Å²	115.6	41%	0.407	53%	0.532	S	S	.	.	H	α-helix	trans	-66.5	-39.1	170.7	-76.2	-174.7	121.5	0	0	112.3	H1166 R1168 A1174	H1166-E1170 IonicContact CE1-OE1 2.67Å; H1166-E1170 PolarHBondContact CE1-OE1 2.64Å; H1166-E1170 IonicContact CE1-OE2 3.05Å; H1166-E1170 PolarHBondContact CE1-OE2 2.88Å; H1166-E1170 IonicContact ND1-OE2 2.8Å; H1166-E1170 PolarHBondContact ND1-OE2 2.91Å; H1166-E1170 WeakPolarHBondContact O-CB 3.3Å; H1166-E1170 WeakPolarHBondContact O-CG 3.38Å; H1166-E1170 PolarHBondContact O-N 2.68Å; R1168-E1170 VanDerWaalsContact C-N 3.3Å; R1168-E1170 PolarHBondContact O-N 3.14Å; E1170-A1174 WeakPolarHBondContact O-CB 3.25Å; E1170-A1174 PolarHBondContact O-N 3.2Å
1171	L	92.9	Very high	82.7	Confident	105 Å²	105	116.8 Å²	116.8	55%	0.55	54%	0.538	S	S	.	.	H	α-helix	trans	-67.1	-42.3	174.7	-179.2	63	0	0	0	112.3	L1167 R1168 A1174 R1175	L1167-L1171 WeakPolarHBondContact O-CB 3.43Å; L1167-L1171 PolarHBondContact O-N 3.14Å; R1168-L1171 PolarHBondContact O-N 2.68Å; L1171-A1174 PolarHBondContact O-N 3.16Å; L1171-R1175 PolarHBondContact O-N 3.2Å
1172	D	88.5	Confident	80.3	Confident	65 Å²	65	114.9 Å²	114.9	35%	0.348	54%	0.537	S	S	.	.	H	α-helix	trans	-74.4	-33.1	178.8	-71.7	-36.4	0	0	0	111	R1168 R1175 L1176	R1168-D1172 IonicContact NE-OD2 3.48Å; R1168-D1172 WeakPolarHBondContact O-CB 3.44Å; R1168-D1172 PolarHBondContact O-N 3.25Å; D1172-R1175 WeakPolarHBondContact O-CB 3.37Å; D1172-R1175 PolarHBondContact O-N 3.15Å; D1172-R1175 IonicContact OD1-NH1 2.75Å; D1172-L1176 PolarHBondContact O-N 3.17Å
1173	R	87.8	Confident	78.4	Confident	92 Å²	92	113.5 Å²	113.5	35%	0.347	55%	0.546	S	S	.	.	H	α-helix	trans	-65.3	-40.4	165.2	-76.7	-170.2	-119.7	113.9	-12	112.1	E1169 R1175 L1176 H1177	E1169-R1173 WeakPolarHBondContact O-CB 3.11Å; E1169-R1173 VanDerWaalsContact O-CG 3.24Å; E1169-R1173 WeakPolarHBondContact O-CG 3.23Å; E1169-R1173 PolarHBondContact O-N 3.44Å; E1169-R1173 IonicContact OE1-CZ 2.65Å; E1169-R1173 IonicContact OE1-NE 3.48Å; E1169-R1173 PolarHBondContact OE1-NE 3.32Å; E1169-R1173 IonicContact OE1-NH2 2.66Å; E1169-R1173 PolarHBondContact OE1-NH2 3.31Å; E1169-R1173 IonicContact OE2-NH2 3.1Å; E1169-R1173 PolarHBondContact OE2-NH2 3.15Å; E1169-R1173 VanDerWaalsContact OE2-NH2 3.08Å; R1173-R1175 VanDerWaalsContact C-N 3.33Å; R1173-R1175 PolarHBondContact O-N 3.22Å; R1173-L1176 PolarHBondContact O-N 3Å; R1173-L1176 VanDerWaalsContact O-N 3.15Å; R1173-H1177 WeakPolarHBondContact O-CB 3.27Å; R1173-H1177 PolarHBondContact O-CD2 3.49Å; R1173-H1177 PolarHBondContact O-N 3.4Å
1174	A	82.3	Confident	76.4	Confident	54 Å²	54	115.7 Å²	115.7	45%	0.446	56%	0.559	S	S	.	*	H	α-helix	trans	-64.3	-38.2	176.6	0	0	0	0	0	111.6	E1170 L1171 H1177 Q1178	E1170-A1174 WeakPolarHBondContact O-CB 3.25Å; E1170-A1174 PolarHBondContact O-N 3.2Å; L1171-A1174 PolarHBondContact O-N 3.16Å; A1174-H1177 PolarHBondContact O-N 3.15Å; A1174-Q1178 WeakPolarHBondContact O-CB 3.45Å; A1174-Q1178 PolarHBondContact O-N 3.21Å
1175	R	83.3	Confident	74.1	Confident	167 Å²	167	113.3 Å²	113.3	63%	0.63	56%	0.556	S	S	*	*	H	α-helix	trans	-59.7	-46	168.2	-89.9	178	159.6	163.4	-6	112.5	L1171 D1172 R1173 Q1178 L1179	L1171-R1175 PolarHBondContact O-N 3.2Å; D1172-R1175 WeakPolarHBondContact O-CB 3.37Å; D1172-R1175 PolarHBondContact O-N 3.15Å; D1172-R1175 IonicContact OD1-NH1 2.75Å; R1173-R1175 VanDerWaalsContact C-N 3.33Å; R1173-R1175 PolarHBondContact O-N 3.22Å; R1175-Q1178 PolarHBondContact O-N 3.47Å; R1175-Q1178 VanDerWaalsContact O-N 3.17Å; R1175-L1179 PolarHBondContact O-N 3.46Å
1176	L	76.4	Confident	72.2	Confident	86 Å²	86	112 Å²	112	45%	0.45	57%	0.567	S	S	.	*	H	α-helix	trans	-65.2	-40.6	178.5	-170	62	0	0	0	111.8	D1172 R1173 Q1178 L1179 H1180	D1172-L1176 PolarHBondContact O-N 3.17Å; R1173-L1176 PolarHBondContact O-N 3Å; R1173-L1176 VanDerWaalsContact O-N 3.15Å; L1176-Q1178 VanDerWaalsContact C-N 3.3Å; L1176-Q1178 PolarHBondContact O-N 3.16Å; L1176-L1179 HydrophobicContact CD1-CD2 4.48Å; L1176-L1179 PolarHBondContact O-N 3.15Å; L1176-H1180 WeakPolarHBondContact O-CB 3.48Å; L1176-H1180 VanDerWaalsContact O-CG 3.27Å; L1176-H1180 PolarHBondContact O-N 2.8Å
1177	H	69.8	Low	69.8	Low	121 Å²	121	114.6 Å²	114.6	56%	0.56	58%	0.579	S	S	*	*	H	α-helix	trans	-66.8	-26.9	172.2	-80.1	-68.7	0	0	0	113.5	R1173 A1174 Q1181	R1173-H1177 WeakPolarHBondContact O-CB 3.27Å; R1173-H1177 PolarHBondContact O-CD2 3.49Å; R1173-H1177 PolarHBondContact O-N 3.4Å; A1174-H1177 PolarHBondContact O-N 3.15Å; H1177-Q1181 WeakPolarHBondContact O-CB 3.5Å; H1177-Q1181 WeakPolarHBondContact O-CG 3.4Å; H1177-Q1181 PolarHBondContact O-N 2.75Å; H1177-Q1181 PolarHBondContact O-NE2 3.37Å
1178	Q	66.1	Low	67.6	Low	150 Å²	150	118.2 Å²	118.2	70%	0.701	60%	0.598	S	S	*	*	H	α-helix	trans	-76.5	-39.3	172.6	-173.6	168.7	84.6	0	0	111.2	A1174 R1175 L1176 Q1181	A1174-Q1178 WeakPolarHBondContact O-CB 3.45Å; A1174-Q1178 PolarHBondContact O-N 3.21Å; R1175-Q1178 PolarHBondContact O-N 3.47Å; R1175-Q1178 VanDerWaalsContact O-N 3.17Å; L1176-Q1178 VanDerWaalsContact C-N 3.3Å; L1176-Q1178 PolarHBondContact O-N 3.16Å; Q1178-Q1181 PolarHBondContact O-N 2.98Å
1179	L	66.3	Low	65.3	Low	114 Å²	114	115.3 Å²	115.3	60%	0.597	60%	0.6	S	S	*	*	H	α-helix	trans	-63.2	-43.4	173.3	-171.5	66.9	0	0	0	111.5	R1175 L1176 Q1181 S1182	R1175-L1179 PolarHBondContact O-N 3.46Å; L1176-L1179 HydrophobicContact CD1-CD2 4.48Å; L1176-L1179 PolarHBondContact O-N 3.15Å; L1179-Q1181 PolarHBondContact O-N 3.06Å; L1179-S1182 WeakPolarHBondContact O-CB 3.34Å; L1179-S1182 PolarHBondContact O-N 3.48Å; L1179-S1182 PolarHBondContact O-OG 2.68Å
1180	H	57.5	Low	62.8	Low	132 Å²	132	118.1 Å²	118.1	61%	0.611	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-1.8	176	-62.9	169.1	0	0	0	114.3	L1176 S1182	L1176-H1180 WeakPolarHBondContact O-CB 3.48Å; L1176-H1180 VanDerWaalsContact O-CG 3.27Å; L1176-H1180 PolarHBondContact O-N 2.8Å; H1180-S1182 VanDerWaalsContact C-N 3.3Å
1181	Q	51.3	Low	60.5	Low	151 Å²	151	121.3 Å²	121.3	71%	0.706	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	15.1	167.5	-85.5	172.6	100.1	0	0	112.7	H1177 Q1178 L1179 P1183	H1177-Q1181 WeakPolarHBondContact O-CB 3.5Å; H1177-Q1181 WeakPolarHBondContact O-CG 3.4Å; H1177-Q1181 PolarHBondContact O-N 2.75Å; H1177-Q1181 PolarHBondContact O-NE2 3.37Å; Q1178-Q1181 PolarHBondContact O-N 2.98Å; L1179-Q1181 PolarHBondContact O-N 3.06Å; Q1181-P1183 VanDerWaalsContact O-CD 3.3Å; Q1181-P1183 WeakPolarHBondContact O-CD 3.36Å
1182	S	40.8	Very low	57.9	Low	73 Å²	73	120.8 Å²	120.8	51%	0.51	63%	0.633	S	S	.	*	S	Bend	trans	-58.1	121.8	160.4	-60.5	0	0	0	0	109.5	L1179 H1180 M1184	L1179-S1182 WeakPolarHBondContact O-CB 3.34Å; L1179-S1182 PolarHBondContact O-N 3.48Å; L1179-S1182 PolarHBondContact O-OG 2.68Å; H1180-S1182 VanDerWaalsContact C-N 3.3Å; S1182-M1184 VanDerWaalsContact C-N 3.35Å; S1182-M1184 PolarHBondContact O-N 2.93Å
1183	P	48.7	Very low	56.3	Low	116 Å²	116	123.1 Å²	123.1	75%	0.753	65%	0.651	S	S	*	*			trans	-69.6	84.8	-177.3	-22.5	35.7	0	0	0	113.2	Q1181 E1185	Q1181-P1183 VanDerWaalsContact O-CD 3.3Å; Q1181-P1183 WeakPolarHBondContact O-CD 3.36Å; P1183-E1185 PolarHBondContact O-N 3.48Å
1184	M	49.4	Very low	54.1	Low	175 Å²	175	128.8 Å²	128.8	86%	0.862	68%	0.679	S	S	*	*			trans	-76.1	58.8	160.1	-72.6	-100.8	60.4	0	0	109.4	S1182 G1186	S1182-M1184 VanDerWaalsContact C-N 3.35Å; S1182-M1184 PolarHBondContact O-N 2.93Å; M1184-G1186 VanDerWaalsContact C-N 3.31Å; M1184-G1186 PolarHBondContact O-N 2.96Å
1185	E	43	Very low	52.2	Low	137 Å²	137	134.7 Å²	134.7	64%	0.64	70%	0.699	S	S	*	*			trans	-74.4	82.4	-179.2	-166.7	78.7	-146.7	0	0	109.2	P1183 H1187	P1183-E1185 PolarHBondContact O-N 3.48Å; E1185-H1187 VanDerWaalsContact C-N 3.3Å; E1185-H1187 PolarHBondContact O-N 2.72Å; E1185-H1187 IonicContact OE1-CD2 2.65Å; E1185-H1187 PolarHBondContact OE1-CD2 3Å; E1185-H1187 IonicContact OE1-CE1 3.7Å; E1185-H1187 IonicContact OE1-NE2 3.45Å; E1185-H1187 PolarHBondContact OE1-NE2 3.18Å
1186	G	51.2	Low	49.9	Very low	75 Å²	75	130.8 Å²	130.8	77%	0.773	70%	0.703	S	S	*	*			trans	-73.6	71.9	-176.6	0	0	0	0	0	113.9	M1184	M1184-G1186 VanDerWaalsContact C-N 3.31Å; M1184-G1186 PolarHBondContact O-N 2.96Å
1187	H	43	Very low	48.1	Very low	140 Å²	140	134.4 Å²	134.4	65%	0.648	72%	0.717	S	S	*	*			trans	-106.8	115.2	168.6	-65.1	-47.3	0	0	0	111.6	E1185 P1189	E1185-H1187 VanDerWaalsContact C-N 3.3Å; E1185-H1187 PolarHBondContact O-N 2.72Å; E1185-H1187 IonicContact OE1-CD2 2.65Å; E1185-H1187 PolarHBondContact OE1-CD2 3Å; E1185-H1187 IonicContact OE1-CE1 3.7Å; E1185-H1187 IonicContact OE1-NE2 3.45Å; E1185-H1187 PolarHBondContact OE1-NE2 3.18Å; H1187-P1189 WeakPolarHBondContact O-CD 3.22Å
1188	L	46.3	Very low	46.8	Very low	175 Å²	175	137 Å²	137	92%	0.916	73%	0.734	S	S	*	*			trans	-92.8	102	163.6	-79.5	165.4	0	0	0	109.1	H1190	L1188-H1190 PolarHBondContact O-N 3.18Å
1189	P	45.5	Very low	45.3	Very low	102 Å²	102	133.9 Å²	133.9	66%	0.662	74%	0.742	S	S	*	*			trans	-73.8	109.7	166.3	29.8	-32.5	0	0	0	109.7	H1187 M1191	H1187-P1189 WeakPolarHBondContact O-CD 3.22Å; P1189-M1191 PolarHBondContact O-N 3.28Å
1190	H	38	Very low	43.8	Very low	164 Å²	164	132.2 Å²	132.2	76%	0.759	75%	0.753	S	S	*	*			trans	-52.2	115.5	169.8	164.9	-59.2	0	0	0	111.1	L1188	L1188-H1190 PolarHBondContact O-N 3.18Å
1191	M	41.8	Very low	43.2	Very low	154 Å²	154	133.7 Å²	133.7	76%	0.759	76%	0.762	S	S	*	*			trans	-107.3	133	172.9	-73.7	-71.1	109	0	0	110.9	P1189	P1189-M1191 PolarHBondContact O-N 3.28Å
1192	P	39.4	Very low	43.3	Very low	94 Å²	94	131.7 Å²	131.7	61%	0.61	76%	0.762	S	S	*	*			trans	-80.2	157.9	178.9	33.5	-35.2	0	0	0	112.8
1193	P	53.6	Low	43.1	Very low	113 Å²	113	137.9 Å²	137.9	73%	0.734	78%	0.776	S	S	*	*			trans	-97.2	133.3	-169.3	35.5	-33.3	0	0	0	114.7
1194	F	42	Very low	43.3	Very low	211 Å²	211	138.8 Å²	138.8	93%	0.925	78%	0.781	S	S	*	*			trans	-141.9	150.3	155.1	-79	-76.2	0	0	0	109.7
1195	M	42.9	Very low	43	Very low	178 Å²	178	141 Å²	141	88%	0.877	78%	0.78	S	S	*	*			trans	-117.1	149.7	-167.2	-50.3	-178.6	79.2	0	0	112.7
1196	A	34.6	Very low	42.5	Very low	85 Å²	85	142.5 Å²	142.5	70%	0.702	79%	0.791	S	S	*	*			trans	-162.7	79.7	158.8	0	0	0	0	0	115.4
1197	H	39.1	Very low	41.6	Very low	163 Å²	163	143.6 Å²	143.6	76%	0.755	79%	0.788	S	S	*	*			trans	38.7	142.8	142.1	-2.7	-84	0	0	0	125.8
1198	L	42	Very low	42.4	Very low	176 Å²	176	143 Å²	143	92%	0.921	80%	0.796	S	S	*	*			trans	81.8	131	145.4	-64.6	165.3	0	0	0	121
1199	G	35.7	Very low	41.7	Very low	83 Å²	83	140.5 Å²	140.5	86%	0.856	79%	0.793	S	S	*	*			trans	173.1	8.7	173.8	0	0	0	0	0	123.2
1200	G	33.2	Very low	41.1	Very low	80 Å²	80	142.5 Å²	142.5	83%	0.825	80%	0.803	S	S	*	*			trans	103.1	147.5	165.8	0	0	0	0	0	119.1
1201	M	45	Very low	40.9	Very low	163 Å²	163	137.7 Å²	137.7	80%	0.803	80%	0.798	S	S	*	*			trans	-141.7	177.7	-177.8	-81.7	-76.1	-74.3	0	0	107.8
1202	P	53.4	Low	40.6	Very low	109 Å²	109	138.2 Å²	138.2	71%	0.708	80%	0.799	S	S	*	*			cis	-133.8	-173.9	3.8	39.2	-19.7	0	0	0	115.8
1203	Y	38.3	Very low	40.4	Very low	203 Å²	203	140.7 Å²	140.7	80%	0.796	81%	0.807	S	S	*	*			trans	-81.3	172.9	166.6	-70.8	-98.5	0	0	0	112.8
1204	P	52.1	Low	39.6	Very low	134 Å²	134	138.8 Å²	138.8	87%	0.87	81%	0.808	S	S	*	*				-141.3	176.3	101.9	38.4	-24.9	0	0	0	116.1
1205	R	42.3	Very low	39.9	Very low	221 Å²	221	134.3 Å²	134.3	83%	0.834	80%	0.8	S	S	*	*			trans	-130.4	134	-170.1	168.4	-157.1	-167.4	-109.8	9.4	110.8
1206	L	33.6	Very low	39.6	Very low	169 Å²	169	132.8 Å²	132.8	89%	0.885	80%	0.795	S	S	*	*			trans	-149.1	168.2	163.7	-81.4	-172.5	0	0	0	113.4
1207	S	31.2	Very low	39.5	Very low	99 Å²	99	134 Å²	134	69%	0.692	79%	0.789	S	S	*	*			trans	-152.6	-163.2	178.9	-55.4	0	0	0	0	109.3
1208	P	60.3	Low	39.4	Very low	128 Å²	128	136.7 Å²	136.7	83%	0.831	79%	0.793	S	S	*	*				-106.4	176.6	-93.5	40.3	-28.6	0	0	0	114.4
1209	S	32	Very low	39.2	Very low	121 Å²	121	134.3 Å²	134.3	85%	0.846	79%	0.786	S	S	*	*			trans	-159.4	178.1	164.4	-160.1	0	0	0	0	113.6
1210	T	32.1	Very low	40.6	Very low	144 Å²	144	136.2 Å²	136.2	88%	0.883	78%	0.783	S	S	*	*			trans	-135	152.1	-152.5	-57.9	0	0	0	0	114.4
1211	G	34.5	Very low	41.8	Very low	63 Å²	63	137.7 Å²	137.7	65%	0.649	78%	0.778	S	S	*	*			trans	138.4	163	164.2	0	0	0	0	0	114.4
1212	H	35.6	Very low	41.5	Very low	166 Å²	166	136.4 Å²	136.4	77%	0.769	78%	0.78	S	S	*	*			cis	-170.7	143.9	-13.5	-138.5	26.2	0	0	0	109.6
1213	N	35.3	Very low	41	Very low	145 Å²	145	135.9 Å²	135.9	78%	0.775	78%	0.784	S	S	*	*			trans	57.9	152.7	154.7	-52.4	-24.2	0	0	0	122.1
1214	G	35.7	Very low	41	Very low	74 Å²	74	130.1 Å²	130.1	76%	0.763	78%	0.779	S	S	*	*			trans	145.3	116.3	161.6	0	0	0	0	0	117.1
1215	P	49	Very low	40.5	Very low	117 Å²	117	131.7 Å²	131.7	76%	0.76	78%	0.779	S	S	*	*			trans	-132.7	-177.4	-169.8	35.9	-15.8	0	0	0	117.8
1216	L	36.2	Very low	39.9	Very low	146 Å²	146	126.8 Å²	126.8	76%	0.764	78%	0.778	S	S	*	*			trans	92.4	109.2	156	-53.3	177.6	0	0	0	122.2
1217	N	32.9	Very low	40.2	Very low	111 Å²	111	123.2 Å²	123.2	59%	0.594	77%	0.774	S	S	*	*				54.2	124.3	123.1	-75.2	-71.6	0	0	0	124.8
1218	R	37.2	Very low	41.2	Very low	219 Å²	219	124.5 Å²	124.5	83%	0.826	78%	0.779	S	S	*	*				66.3	110.9	128	-65.7	173.5	176	159.5	0.5	122.1
1219	T	37.9	Very low	41.4	Very low	126 Å²	126	123.9 Å²	123.9	77%	0.773	78%	0.775	S	S	*	*				8.7	143.8	121.7	56.1	0	0	0	0	119.1
1220	P	65.7	Low	42.5	Very low	122 Å²	122	123.7 Å²	123.7	79%	0.792	77%	0.771	S	S	*	*			cis	-132.4	-130.9	24.5	34.6	-9	0	0	0	111.3
1221	P	56.8	Low	42.8	Very low	111 Å²	111	125 Å²	125	72%	0.721	77%	0.772	S	S	*	*			cis	-137.4	154.4	-22.4	36.7	-15.9	0	0	0	119.6
1222	T	39.5	Very low	43.3	Very low	137 Å²	137	128.2 Å²	128.2	84%	0.84	78%	0.779	S	S	*	*			trans	15.8	131.2	138.8	-50.7	0	0	0	0	125.8
1223	A	43.5	Very low	43.7	Very low	97 Å²	97	126.6 Å²	126.6	80%	0.802	78%	0.783	S	S	*	*			trans	75.5	162.9	152.8	0	0	0	0	0	119.4
1224	A	37.9	Very low	43.7	Very low	83 Å²	83	124.9 Å²	124.9	69%	0.686	79%	0.789	S	S	*	*			cis	-158.2	157.3	16.3	0	0	0	0	0	117.4
1225	L	40.5	Very low	43.5	Very low	166 Å²	166	125 Å²	125	87%	0.869	79%	0.79	S	S	*	*			trans	57.8	132.5	140.7	-66.5	167.7	0	0	0	126.8
1226	S	29.7	Very low	42.7	Very low	118 Å²	118	125.5 Å²	125.5	83%	0.825	80%	0.797	S	S	*	*				119.3	145.5	124.7	75.5	0	0	0	0	123.6
1227	A	40.5	Very low	42.5	Very low	95 Å²	95	123 Å²	123	79%	0.785	80%	0.797	S	S	*	*			trans	84.4	154.1	152.6	0	0	0	0	0	122.9
1228	P	52.2	Low	42.6	Very low	125 Å²	125	129.1 Å²	129.1	81%	0.812	81%	0.812	S	S	*	*			trans	-136.4	-139.3	-139.2	48.6	-27.4	0	0	0	117.8
1229	P	64.4	Low	43.1	Very low	115 Å²	115	124.6 Å²	124.6	75%	0.747	81%	0.811	S	S	*	*			trans	-133.2	-175.8	-130.7	40.5	-16.8	0	0	0	118.7
1230	P	55.8	Low	42.7	Very low	117 Å²	117	123.3 Å²	123.3	76%	0.76	81%	0.813	S	S	*	*			trans	-152.3	141.7	145	34.1	-14.1	0	0	0	120.9
1231	L	37.3	Very low	40.8	Very low	173 Å²	173	123 Å²	123	91%	0.906	81%	0.814	S	S	*	*			trans	73.3	162.7	138.6	-61.6	174.7	0	0	0	125.4
1232	V	45.3	Very low	40.6	Very low	130 Å²	130	122.5 Å²	122.5	79%	0.788	81%	0.811	S	S	*	*			trans	-149.9	160.3	-166.1	-152.7	0	0	0	0	111.6
1233	P	44.5	Very low	40.5	Very low	131 Å²	131	126.2 Å²	126.2	85%	0.851	81%	0.809	S	S	*	*				-146.8	-177.5	120.1	36.6	-19	0	0	0	115.6
1234	A	36.2	Very low	40.2	Very low	109 Å²	109	131.6 Å²	131.6	90%	0.901	81%	0.809	S	S	*	*			trans	-152.1	171.8	-167	0	0	0	0	0	117
1235	G	31.3	Very low	40.1	Very low	77 Å²	77	133 Å²	133	79%	0.794	81%	0.809	S	S	*	*			trans	136.8	164.4	168.9	0	0	0	0	0	114.4
1236	S	31.8	Very low	39.8	Very low	128 Å²	128	131.3 Å²	131.3	90%	0.895	81%	0.806	S	S	*	*			cis	-168.2	178.7	-20.8	-165.1	0	0	0	0	111.3
1237	A	31.6	Very low	40.4	Very low	93 Å²	93	131.2 Å²	131.2	77%	0.769	80%	0.802	S	S	*	*			trans	88.5	156	160	0	0	0	0	0	123.6
1238	R	34.6	Very low	40	Very low	239 Å²	239	131.6 Å²	131.6	90%	0.902	79%	0.791	S	S	*	*			trans	-148.3	-167.7	176.1	-80.9	-170.9	169.7	-156.9	0.9	106.1
1239	P	47.3	Very low	39.1	Very low	124 Å²	124	132 Å²	132	81%	0.805	79%	0.791	S	S	*	*			cis	-139	-161.9	-0.5	44.3	-24.2	0	0	0	114.9
1240	A	30.3	Very low	37.6	Very low	100 Å²	100	131.8 Å²	131.8	83%	0.826	79%	0.788	S	S	*	*			trans	144.4	168.4	141.1	0	0	0	0	0	115.9
1241	S	25.8	Very low	36.6	Very low	116 Å²	116	129.7 Å²	129.7	81%	0.811	77%	0.773	S	S	*	*			trans	-164.3	-166.1	-174	-147.6	0	0	0	0	108.3
1242	P	53.4	Low	36.5	Very low	100 Å²	100	126.1 Å²	126.1	65%	0.649	75%	0.752	S	S	*	*			cis	-143.9	-163.4	-8.9	39.9	-17.6	0	0	0	116.4
1243	R	36.8	Very low	36.1	Very low	215 Å²	215	124.1 Å²	124.1	81%	0.811	74%	0.736	S	S	*	*			trans	97.6	136.4	137.7	-92	179.1	177.7	-157	-1.4	125.1
1244	R	37.3	Very low	36.3	Very low	209 Å²	209	120.4 Å²	120.4	79%	0.789	71%	0.712	S	S	*	*			trans	72.6	152.4	140.9	-81.6	-162.2	149.3	-160.4	-7.4	120.2
1245	T	35.6	Very low	36.4	Very low	114 Å²	114	123.3 Å²	123.3	70%	0.699	70%	0.7	S	S	*	*			cis	-159	168.6	-15.4	6.8	0	0	0	0	111.4
1246	T	34.3	Very low	36.6	Very low	129 Å²	129	122.9 Å²	122.9	79%	0.791	68%	0.679	S	S	*	*			trans	-109.8	152.1	-177.8	41.9	0	0	0	0	116.7
1247	P	41.9	Very low	36.8	Very low	117 Å²	117	123.6 Å²	123.6	76%	0.76	66%	0.663	S	S	*	*			trans	-111.9	178.8	156.9	40.7	-30.8	0	0	0	113.2
1248	L	32.4	Very low	37	Very low	103 Å²	103	122.4 Å²	122.4	54%	0.539	65%	0.649	S	S	.	*			trans	-154.3	177	-173.9	-66.6	176.9	0	0	0	114.6	L1063	L1063-L1248 HydrophobicContact CD1-CD1 4Å; L1063-L1248 HydrophobicContact CD1-CD2 4.08Å; L1063-L1248 HydrophobicContact CD2-CD2 3.7Å
1249	T	33.8	Very low	37.6	Very low	133 Å²	133	117 Å²	117	82%	0.816	65%	0.645	S	S	*	*			trans	86.7	153.6	156.3	71.9	0	0	0	0	121.4
1250	T	31.7	Very low	36.8	Very low	111 Å²	111	116.9 Å²	116.9	68%	0.681	65%	0.647	S	S	*	*			cis	-176	141.6	-24.4	-85.2	0	0	0	0	113.2
1251	T	35.6	Very low	37	Very low	73 Å²	73	122.6 Å²	122.6	45%	0.448	65%	0.647	S	S	.	*			trans	56.9	173.3	160	62.4	0	0	0	0	121.8	Q1059	Q1059-T1251 HydrophobicContact CB-CG2 3.89Å
1252	Q	34.2	Very low	37.2	Very low	98 Å²	98	123.3 Å²	123.3	46%	0.458	64%	0.642	S	S	.	*			cis	-156.2	-178.1	4.8	-137.2	149.5	8.9	0	0	114.7	M1057 P1058	M1057-Q1252 HydrophobicContact CE-CB 4.17Å; M1057-Q1252 HydrophobicContact CE-CG 4.3Å; M1057-Q1252 HydrophobicContact CG-CG 4.46Å; M1057-Q1252 HydrophobicContact SD-CB 4.08Å; M1057-Q1252 VanDerWaalsContact SD-CD 3.54Å; M1057-Q1252 HydrophobicContact SD-CG 3.67Å; P1058-Q1252 HydrophobicContact CG-CG 4.02Å; P1058-Q1252 PolarHBondContact O-NE2 3.41Å
1253	D	38	Very low	37.2	Very low	88 Å²	88	123.4 Å²	123.4	47%	0.471	64%	0.643	S	S	.	*			trans	-153.7	146.8	-169.5	159.2	65.9	0	0	0	113.5	P1058	P1058-D1253 WeakPolarHBondContact CD-O 3.19Å; P1058-D1253 HydrophobicContact CG-CB 4.15Å; P1058-D1253 VanDerWaalsContact CG-O 3.29Å; P1058-D1253 WeakPolarHBondContact CG-O 3.4Å
1254	P	47.9	Very low	37.1	Very low	52 Å²	52	122 Å²	122	34%	0.338	64%	0.642	S	S	.	*			trans	-156.9	-159.4	142.9	42.2	-21.2	0	0	0	118	P482 M1057	P482-P1254 WeakPolarHBondContact CB-O 3.26Å; P482-P1254 WeakPolarHBondContact CG-O 3.25Å; M1057-P1254 HydrophobicContact CE-CG 3.76Å; M1057-P1254 HydrophobicContact CG-CB 4.38Å; M1057-P1254 HydrophobicContact CG-CG 4.35Å
1255	R	39.2	Very low	37.3	Very low	171 Å²	171	120.3 Å²	120.3	65%	0.645	64%	0.644	S	S	*	*			trans	-111.4	-157.5	-163.2	-53.6	-174.7	-168.6	168.9	4.2	115.4	H484	H484-R1255 VanDerWaalsContact O-CB 3.23Å; H484-R1255 WeakPolarHBondContact O-CB 3.33Å; H484-R1255 WeakPolarHBondContact O-CG 3.15Å
1256	D	35.8	Very low	37.5	Very low	67 Å²	67	121.2 Å²	121.2	36%	0.358	65%	0.649	S	S	.	*			cis	-163.4	173	6.5	-142	-34.9	0	0	0	114.6	P485	P485-D1256 VanDerWaalsContact C-OD1 3.28Å; P485-D1256 WeakPolarHBondContact CD-OD1 3.36Å
1257	Y	35.2	Very low	37.9	Very low	143 Å²	143	123.4 Å²	123.4	56%	0.561	65%	0.65	S	S	*	*			trans	78.5	150.5	158.5	-94.4	-92.3	0	0	0	125.9	P485 A486 G487	P485-Y1257 CarbonylContact O-C 3.26Å; P485-Y1257 WeakPolarHBondContact O-CA 3.23Å; P485-Y1257 PolarHBondContact O-N 3.15Å; A486-Y1257 HydrophobicContact CB-CE2 3.88Å; A486-Y1257 WeakPolarHBondContact O-CE1 3.48Å; A486-Y1257 PolarHBondContact O-OH 2.92Å; G487-Y1257 WeakPolarHBondContact CA-OH 3.09Å
1258	S	36.6	Very low	37.9	Very low	68 Å²	68	121.9 Å²	121.9	48%	0.476	65%	0.647	S	S	.	*			trans	-129.7	166.6	-178.1	-52.1	0	0	0	0	111.5	P485	P485-S1258 PolarHBondContact O-OG 3.27Å
1259	P	46.6	Very low	38.2	Very low	125 Å²	125	132.6 Å²	132.6	81%	0.812	68%	0.681	S	S	*	*				-162.3	178.3	123	40.2	-20.6	0	0	0	119.6
1260	S	30.3	Very low	38.4	Very low	122 Å²	122	132.6 Å²	132.6	85%	0.853	67%	0.674	S	S	*	*			trans	108	166.7	146.3	82.3	0	0	0	0	120.9
1261	R	34.3	Very low	38.8	Very low	220 Å²	220	133.7 Å²	133.7	83%	0.83	67%	0.673	S	S	*	*				-161.7	145.4	-120.2	-174.5	-166.2	-176	-165.1	4.9	115.5
1262	N	29.8	Very low	39	Very low	132 Å²	132	137.1 Å²	137.1	71%	0.706	69%	0.686	S	S	*	*			trans	66.2	175.8	156.9	-89	15.2	0	0	0	119.5
1263	P	54.4	Low	39.2	Very low	101 Å²	101	139.4 Å²	139.4	66%	0.656	70%	0.699	S	S	*	*			cis	-138.6	-174.7	-35.6	37.3	-19.2	0	0	0	115.1
1264	K	35.1	Very low	39.3	Very low	185 Å²	185	142.6 Å²	142.6	80%	0.804	71%	0.714	S	S	*	*			trans	134	132.1	152.5	-75.6	175.6	178.7	-174.4	0	111.5
1265	E	41	Very low	38.7	Very low	175 Å²	175	148.7 Å²	148.7	82%	0.818	74%	0.739	S	S	*	*			cis	86.3	155.8	34.5	-65.7	-174.6	150.3	0	0	115.5
1266	V	39.2	Very low	38.7	Very low	132 Å²	132	147.1 Å²	147.1	80%	0.8	75%	0.745	S	S	*	*			trans	76.2	104.3	-168.5	-172	0	0	0	0	112.2
1267	E	42.7	Very low	38.9	Very low	176 Å²	176	153.2 Å²	153.2	82%	0.822	78%	0.775	S	S	*	*			cis	85.5	117	48	-175	-169.6	-175.9	0	0	113.3
1268	A	42.4	Very low	39.3	Very low	85 Å²	85	154.1 Å²	154.1	70%	0.702	79%	0.793	S	S	*	*				167.4	123.3	125.9	0	0	0	0	0	112.7
1269	R	38.5	Very low	39.5	Very low	328 Å²	328	161.9 Å²	161.9	100%	1.238	82%	0.822	S	S	*	*			trans	66.9	0	159.9	-61	177.6	179.9	168.3	0.6	117.6

Retrieved 1,269 of 1,269 residues in 143.6 ms (Link to these results)

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