A0A3Q0KRH3_SCHMA Loading...

BHLH domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KRH3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,159 aa.

						>A0A3Q0KRH3_SCHMA|A0A3Q0KRH3
MDLKTHEVHSGHFMVSILEDSEDETDDSNNVFTENVTRYSSTDNSNQSTVRDKNRLIFENLASLFKYLEIAYSGKLTSPKWDKFRGLRFAIKYKIRLNNIVWREYHMQYVKKLKPVVVQFQTPIYEDHSKTEAVILEGKYWKRRVSTLRKEYSLWRVFAKNRIYTSQNRQIIQCANELLEGSDLCPYQFSDLSKSTSSKLMEEIMMDIDENLDLFLDQPITFPNRRDLPILGNADIMQPGLQQLQPDRSSCNDISCNIFQSVEPYSTFQCSSSDAHSCEYTWSSSDYQFNKYMCEATFSSTTLPLPETKQSRNPPLVERLGVVDSSSQICSSFLSGNLKSGLLDLATTSSEGCGPYLNNSVSEADYHGPHPYRPSFPVSHKRYFLHQPRVAGQHQSSNHSVGMESKYGLTTGSIHTKGHVAEPIQSFGYCVESNKEKGDHTNKSALLNALLRGSSISQNSNSPSDCMDTSAFQETSKCSSPLLCNALSNSGNCFDSSPNKHLIHLNDSSNKSVQAKKGSNLLTNTKGFSDSYTHPGYSYNDHSSITSINTVQNVDIPRINSLNVADNISVPVANYGGSSDCSVTQNHEPDLSVLTPTVSRADGSSFLISHNLLVKNCRTEPISFGVNDLLMRSSNKYFNNTEVISQQSSVDLHKSLGLPLERKNSNVQTLDPKGSVLDSTQGNPNYLVDVSTVPSQNSQDSTLIFKGNNGLSTQIHGNLSVSSNTGFNFSSRNSGSCTIPISSLSESNMFALPSSEIRNAYTEDSNSELETLVPGSWTEPQIFPHVTNITLNDMDQLPKVSVTSDKCLNVSKIIESNPSMLGRSSSAGNLFSLQHNQIPSCSIQGSATTTSSFGSTEILSPMFSNHKGFLYATSPSCSPPSISEQNDQQAKHILGNSSEERRRQSMQSGLQTLRQLLKLHSNLDNLGGSNRLAARRHLSNLEMPAISVTYSFGDTDMPSEMLSVGLRPSNGLDFTSDEQMISSGTEVGGTARASKAATLRSAAELIRKLRDERNVLETQCTNLKGEVKALKSAINLFCEKLPPSNSSSTRSISDQNLNSYYSEWFRAYVLKQTEVNWKFYIFSLIIGRIFKSYCNTTISSSRDQFIRSVYGWLDASCSLVQLRPAVMQALCTLGKTTSVLQEPNKLPEQSRSLSITNLL
					

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(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	32.5	Very low	39.1	Very low	223 Å²	223	131.1 Å²	131.1	100%	1.099	69%	0.685	S	S	*	*				0	99.7	0	-77.4	-61.6	-161.8	0	0	107.7
2	D	34.6	Very low	39.6	Very low	160 Å²	160	132.8 Å²	132.8	86%	0.856	69%	0.686	S	S	*	*			trans	-163.8	127.8	154.4	-115.4	-30.2	0	0	0	106.3	K4	D2-K4 PolarHBondContact O-N 2.98Å
3	L	32.8	Very low	40.1	Very low	147 Å²	147	125 Å²	125	77%	0.77	64%	0.644	S	S	*	*			trans	-78.3	82.8	179.6	-83.3	75.6	0	0	0	108.2	T5	L3-T5 PolarHBondContact O-N 2.96Å
4	K	39.3	Very low	40.5	Very low	197 Å²	197	123.7 Å²	123.7	86%	0.857	64%	0.636	S	S	*	*			trans	-71	77.2	163.1	-162.5	160.4	-168	167.9	0	108.3	D2 H6	D2-K4 PolarHBondContact O-N 2.98Å; K4-H6 PolarHBondContact O-N 3.08Å
5	T	42.4	Very low	40.9	Very low	98 Å²	98	119.3 Å²	119.3	60%	0.601	62%	0.616	S	S	*	*			trans	-43	135.3	168	45.6	0	0	0	0	108.6	L3 E7	L3-T5 PolarHBondContact O-N 2.96Å; T5-E7 PolarHBondContact O-N 3.45Å
6	H	41.7	Very low	41	Very low	182 Å²	182	117.8 Å²	117.8	84%	0.843	62%	0.62	S	S	*	*			trans	-67.6	79.6	165.4	-89.2	-88.2	0	0	0	108.1	K4 V8	K4-H6 PolarHBondContact O-N 3.08Å; H6-V8 PolarHBondContact O-N 2.72Å; H6-V8 VanDerWaalsContact O-N 3.15Å
7	E	40.6	Very low	41.1	Very low	137 Å²	137	116.9 Å²	116.9	64%	0.64	61%	0.614	S	S	*	*			trans	-56.8	118.3	176.3	-178.7	171.3	-143.1	0	0	107.4	T5 H9	T5-E7 PolarHBondContact O-N 3.45Å; E7-H9 PolarHBondContact O-N 3.34Å; E7-H9 PolarHBondContact O-ND1 2.97Å
8	V	42.8	Very low	41.6	Very low	51 Å²	51	117.2 Å²	117.2	31%	0.309	62%	0.615	S	S	.	*			trans	-69.9	87.8	-178.8	174.1	0	0	0	0	107.5	H6 S10 F13 Y105	H6-V8 PolarHBondContact O-N 2.72Å; H6-V8 VanDerWaalsContact O-N 3.15Å; V8-S10 PolarHBondContact O-N 2.88Å; V8-S10 VanDerWaalsContact O-N 3.13Å; V8-F13 HydrophobicContact CG1-CD2 3.46Å; V8-F13 VanDerWaalsContact CG1-CD2 3.46Å; V8-F13 HydrophobicContact CG1-CE2 3.51Å; V8-Y105 HydrophobicContact CB-CE1 4.38Å; V8-Y105 HydrophobicContact CB-CE2 4.19Å; V8-Y105 HydrophobicContact CG2-CD2 3.91Å; V8-Y105 HydrophobicContact CG2-CE2 3.48Å; V8-Y105 VanDerWaalsContact CG2-CE2 3.48Å
9	H	38.7	Very low	41.7	Very low	134 Å²	134	119.7 Å²	119.7	62%	0.62	62%	0.624	S	S	*	*			trans	-52.8	122	174.5	-75.4	44.8	0	0	0	107	E7 G11 H12	E7-H9 PolarHBondContact O-N 3.34Å; E7-H9 PolarHBondContact O-ND1 2.97Å; H9-G11 PolarHBondContact O-N 3.28Å; H9-G11 VanDerWaalsContact O-N 3.1Å; H9-H12 WeakPolarHBondContact O-CB 3.42Å; H9-H12 PolarHBondContact O-N 3.23Å
10	S	43.6	Very low	41.8	Very low	68 Å²	68	121.1 Å²	121.1	48%	0.476	63%	0.632	S	S	.	*	G	3₁₀ helix	trans	-55.1	-38.3	-168.3	59.8	0	0	0	0	112.1	V8 H12 F13 M14	V8-S10 PolarHBondContact O-N 2.88Å; V8-S10 VanDerWaalsContact O-N 3.13Å; S10-H12 PolarHBondContact O-N 2.92Å; S10-H12 VanDerWaalsContact O-N 3.09Å; S10-F13 PolarHBondContact O-N 3.02Å; S10-M14 VanDerWaalsContact CB-SD 3.52Å; S10-M14 VanDerWaalsContact O-CB 3.29Å; S10-M14 WeakPolarHBondContact O-CB 3.16Å; S10-M14 VanDerWaalsContact O-CG 3.29Å; S10-M14 WeakPolarHBondContact O-CG 3.27Å; S10-M14 PolarHBondContact O-N 2.89Å
11	G	41.2	Very low	41.7	Very low	45 Å²	45	119.3 Å²	119.3	46%	0.464	63%	0.63	S	S	.	*	G	3₁₀ helix	trans	-60	-8.9	173.1	0	0	0	0	0	117.2	H9	H9-G11 PolarHBondContact O-N 3.28Å; H9-G11 VanDerWaalsContact O-N 3.1Å
12	H	45.1	Very low	42	Very low	151 Å²	151	116.9 Å²	116.9	70%	0.699	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-86.6	-13.4	175.8	-146.5	85.4	0	0	0	113.3	H9 S10	H9-H12 WeakPolarHBondContact O-CB 3.42Å; H9-H12 PolarHBondContact O-N 3.23Å; S10-H12 PolarHBondContact O-N 2.92Å; S10-H12 VanDerWaalsContact O-N 3.09Å
13	F	46.3	Very low	42.5	Very low	32 Å²	32	115.7 Å²	115.7	14%	0.14	61%	0.609	C	S	.	*	T	Hydrogen-bonded Turn	trans	-124.6	-29.9	171.8	-68.5	-86	0	0	0	112.6	V8 S10 V15 P79 N98 V101	V8-F13 HydrophobicContact CG1-CD2 3.46Å; V8-F13 VanDerWaalsContact CG1-CD2 3.46Å; V8-F13 HydrophobicContact CG1-CE2 3.51Å; S10-F13 PolarHBondContact O-N 3.02Å; F13-V15 PolarHBondContact O-N 2.79Å; F13-P79 HydrophobicContact CE1-CG 4.2Å; F13-N98 VanDerWaalsContact O-CG 3.26Å; F13-N98 PolarHBondContact O-ND2 2.93Å; F13-N98 PolarHBondContact O-OD1 3.45Å; F13-V101 HydrophobicContact CD1-CG1 4.03Å; F13-V101 HydrophobicContact CE1-CG1 4.39Å; F13-V101 HydrophobicContact CG-CG1 4.14Å
14	M	45.8	Very low	42.8	Very low	107 Å²	107	116.3 Å²	116.3	53%	0.527	61%	0.608	S	S	.	*	S	Bend	trans	-57.5	130.4	168.8	-74.3	173.7	59.7	0	0	110.1	S10 S16	S10-M14 VanDerWaalsContact CB-SD 3.52Å; S10-M14 VanDerWaalsContact O-CB 3.29Å; S10-M14 WeakPolarHBondContact O-CB 3.16Å; S10-M14 VanDerWaalsContact O-CG 3.29Å; S10-M14 WeakPolarHBondContact O-CG 3.27Å; S10-M14 PolarHBondContact O-N 2.89Å; M14-S16 VanDerWaalsContact C-N 3.33Å; M14-S16 PolarHBondContact O-N 3Å
15	V	46	Very low	43	Very low	57 Å²	57	112.9 Å²	112.9	35%	0.345	60%	0.604	S	S	.	*			trans	-67.7	96.6	166.8	175.9	0	0	0	0	106.6	F13 I17 K94 N98	F13-V15 PolarHBondContact O-N 2.79Å; V15-I17 WeakPolarHBondContact CG1-O 3.37Å; V15-K94 HydrophobicContact CG2-CB 4.33Å; V15-K94 HydrophobicContact CG2-CD 4.3Å; V15-N98 PolarHBondContact N-ND2 3.16Å
16	S	42.6	Very low	42.8	Very low	96 Å²	96	115.8 Å²	115.8	67%	0.671	62%	0.616	S	S	*	*			trans	-88.4	-7	-172.5	45.2	0	0	0	0	113.8	M14	M14-S16 VanDerWaalsContact C-N 3.33Å; M14-S16 PolarHBondContact O-N 3Å
17	I	43.4	Very low	42.6	Very low	102 Å²	102	114.8 Å²	114.8	52%	0.523	62%	0.617	S	S	.	*			trans	-123.1	121.1	172.4	-58.5	173.1	0	0	0	106.5	V15 E19	V15-I17 WeakPolarHBondContact CG1-O 3.37Å; I17-E19 HydrophobicContact CG2-CB 4.17Å
18	L	48.5	Very low	42.5	Very low	122 Å²	122	113.2 Å²	113.2	64%	0.639	62%	0.621	S	S	*	*			trans	-98.9	4.8	-177.7	-70.1	169.9	0	0	0	112.9	I91	L18-I91 HydrophobicContact CD2-CD1 3.85Å
19	E	44.4	Very low	42	Very low	166 Å²	166	118.8 Å²	118.8	78%	0.776	65%	0.649	S	S	*	*			trans	-101.2	-2	-161.1	-60.8	173.8	150.2	0	0	113.7	I17 S21	I17-E19 HydrophobicContact CG2-CB 4.17Å; E19-S21 PolarHBondContact O-N 3.47Å; E19-S21 VanDerWaalsContact O-N 3.11Å
20	D	43.7	Very low	41.8	Very low	147 Å²	147	120 Å²	120	79%	0.786	66%	0.66	S	S	*	*	S	Bend	trans	-81.6	33.6	177	-78.7	-18.5	0	0	0	113.7
21	S	40.5	Very low	41.3	Very low	84 Å²	84	122.1 Å²	122.1	59%	0.587	67%	0.67	S	S	*	*			trans	-156.8	75.7	172.1	64.9	0	0	0	0	113.8	E19	E19-S21 PolarHBondContact O-N 3.47Å; E19-S21 VanDerWaalsContact O-N 3.11Å
22	E	37.5	Very low	40.6	Very low	172 Å²	172	129.5 Å²	129.5	80%	0.804	69%	0.69	S	S	*	*			trans	-68.9	172.8	145.1	-59.7	-179.5	154.9	0	0	109.1
23	D	44.9	Very low	40.1	Very low	135 Å²	135	128.8 Å²	128.8	72%	0.722	70%	0.696	S	S	*	*			trans	64.8	61.7	-178.6	-57.7	-17.9	0	0	0	117.8	R88	D23-R88 PolarHBondContact O-NH2 3.26Å
24	E	40.7	Very low	39.4	Very low	159 Å²	159	135.1 Å²	135.1	74%	0.743	73%	0.726	S	S	*	*			trans	-144.8	64.1	154.6	-64.9	-71.8	-178.4	0	0	110.2	R88	E24-R88 IonicContact OE1-CZ 3.72Å; E24-R88 IonicContact OE1-NE 3.68Å; E24-R88 IonicContact OE1-NH2 2.68Å; E24-R88 PolarHBondContact OE1-NH2 2.69Å
25	T	41.8	Very low	38.9	Very low	125 Å²	125	136.6 Å²	136.6	77%	0.767	74%	0.736	S	S	*	*			trans	-110.3	124.7	171.9	51	0	0	0	0	111.8
26	D	38.4	Very low	38.1	Very low	160 Å²	160	140 Å²	140	86%	0.856	76%	0.757	S	S	*	*			trans	43.2	107.2	156.9	-56.9	-32.7	0	0	0	119.3
27	D	38.7	Very low	37.6	Very low	160 Å²	160	140.2 Å²	140.2	86%	0.856	75%	0.754	S	S	*	*				-149.6	144.9	129.5	-141.4	-22.6	0	0	0	113.9
28	S	37.1	Very low	37	Very low	105 Å²	105	145 Å²	145	73%	0.734	77%	0.766	S	S	*	*			trans	55.9	90.2	169.7	65.6	0	0	0	0	119.7
29	N	32.5	Very low	36	Very low	168 Å²	168	149.2 Å²	149.2	90%	0.898	78%	0.775	S	S	*	*			trans	-72.3	126.7	143.6	-73.9	-78.6	0	0	0	109
30	N	34.8	Very low	35.1	Very low	158 Å²	158	146.5 Å²	146.5	85%	0.845	77%	0.774	S	S	*	*			trans	-164.3	160.9	146.8	-135.2	-25.1	0	0	0	116.7
31	V	33.6	Very low	34.5	Very low	114 Å²	114	144.2 Å²	144.2	69%	0.691	77%	0.77	S	S	*	*			trans	64	93	161.8	-173.5	0	0	0	0	117.4
32	F	27.1	Very low	34.1	Very low	200 Å²	200	145.7 Å²	145.7	88%	0.877	78%	0.775	S	S	*	*			trans	-50.8	142.2	141.6	-74.8	-120.1	0	0	0	110.9
33	T	34.2	Very low	33.7	Very low	136 Å²	136	144 Å²	144	83%	0.834	77%	0.772	S	S	*	*				-173	163.3	116.5	17.2	0	0	0	0	112.8
34	E	31.1	Very low	33.1	Very low	165 Å²	165	144.9 Å²	144.9	77%	0.771	78%	0.776	S	S	*	*			trans	-89.4	-175	-178	-57	165.7	112.4	0	0	112.5
35	N	34.6	Very low	32.8	Very low	137 Å²	137	141.3 Å²	141.3	73%	0.733	77%	0.769	S	S	*	*			trans	78.5	103.7	169.3	-48.1	-62	0	0	0	114.6
36	V	31.1	Very low	32.5	Very low	130 Å²	130	141.9 Å²	141.9	79%	0.788	77%	0.767	S	S	*	*				60.1	105.1	66.5	-175.3	0	0	0	0	112.3
37	T	31.6	Very low	32.4	Very low	100 Å²	100	143.1 Å²	143.1	61%	0.613	77%	0.768	S	S	*	*			trans	162.8	109.6	131.1	-71.3	0	0	0	0	112.7
38	R	29.8	Very low	32.1	Very low	201 Å²	201	140.7 Å²	140.7	76%	0.758	76%	0.764	S	S	*	*			trans	52.6	124.5	143.8	-63.5	177.4	-156.2	124	7	122.7
39	Y	27.1	Very low	32.1	Very low	211 Å²	211	141.1 Å²	141.1	83%	0.827	76%	0.762	S	S	*	*				59.9	149.2	128.9	-63.4	-56.5	0	0	0	122.8
40	S	27.4	Very low	32.3	Very low	109 Å²	109	139.8 Å²	139.8	76%	0.762	76%	0.759	S	S	*	*			trans	65.3	140.6	159.1	44.8	0	0	0	0	117.7
41	S	29.4	Very low	32.4	Very low	100 Å²	100	142.1 Å²	142.1	70%	0.699	76%	0.757	S	S	*	*			cis	-165.5	171.4	-8.8	-100.8	0	0	0	0	109.5
42	T	32.5	Very low	32.7	Very low	115 Å²	115	142.7 Å²	142.7	71%	0.706	76%	0.756	S	S	*	*			trans	48.8	102.6	152.2	50.5	0	0	0	0	117.5
43	D	29.2	Very low	33.5	Very low	137 Å²	137	142.4 Å²	142.4	73%	0.733	75%	0.754	S	S	*	*				96.4	149.1	72.6	-86.5	-45.8	0	0	0	112.8
44	N	33.5	Very low	33.8	Very low	152 Å²	152	143.2 Å²	143.2	81%	0.813	75%	0.753	S	S	*	*			trans	71.1	146.9	173.5	-52.6	-63	0	0	0	117.3
45	S	32.8	Very low	34.4	Very low	85 Å²	85	144.1 Å²	144.1	59%	0.594	75%	0.75	S	S	*	*			cis	-164.6	169.3	-27	56.5	0	0	0	0	109.9
46	N	36.2	Very low	35.1	Very low	136 Å²	136	141.3 Å²	141.3	73%	0.727	73%	0.734	S	S	*	*			trans	68.6	91.9	153.6	-59.7	-20.7	0	0	0	120.2
47	Q	35.5	Very low	36	Very low	187 Å²	187	140.3 Å²	140.3	87%	0.874	72%	0.723	S	S	*	*				62.4	102.7	104.8	-173.4	-174.4	105.9	0	0	118.4
48	S	34	Very low	37.2	Very low	108 Å²	108	136.4 Å²	136.4	76%	0.755	70%	0.698	S	S	*	*			trans	-148.3	115.9	148	-159.8	0	0	0	0	114.8
49	T	36.9	Very low	38.6	Very low	114 Å²	114	134.1 Å²	134.1	70%	0.699	70%	0.696	S	S	*	*			trans	34.1	106.3	151.7	65.2	0	0	0	0	122.3
50	V	35.2	Very low	40.1	Very low	140 Å²	140	127.1 Å²	127.1	85%	0.848	67%	0.673	S	S	*	*				40.2	93.7	122.4	-170.8	0	0	0	0	117.9
51	R	37.2	Very low	42	Very low	208 Å²	208	122.8 Å²	122.8	79%	0.785	64%	0.641	S	S	*	*			trans	-157.9	-39.8	144	-124.9	173	-77.4	-148.2	1.6	116	K53	R51-K53 PolarHBondContact O-N 3.45Å; R51-K53 VanDerWaalsContact O-N 3.14Å
52	D	39.4	Very low	43.9	Very low	126 Å²	126	121.2 Å²	121.2	67%	0.674	63%	0.634	S	S	*	*			trans	-86.2	81.9	-168.2	-64.5	-83.5	0	0	0	115.9
53	K	45	Very low	45.6	Very low	194 Å²	194	117.9 Å²	117.9	84%	0.843	62%	0.615	S	S	*	*	S	Bend	trans	-99.2	-15.5	174.5	-81.3	-167.3	172.9	-175.3	0	116.8	R51	R51-K53 PolarHBondContact O-N 3.45Å; R51-K53 VanDerWaalsContact O-N 3.14Å
54	N	40.9	Very low	47.4	Very low	152 Å²	152	111.4 Å²	111.4	81%	0.813	58%	0.581	S	S	*	*	S	Bend	trans	-114.4	5.7	-173.2	-70.4	6.5	0	0	0	114.5	L56	N54-L56 PolarHBondContact O-N 2.83Å
55	R	43.4	Very low	49.1	Very low	185 Å²	185	107.5 Å²	107.5	70%	0.698	56%	0.557	S	S	*	*			trans	-99.7	48.6	-170.3	-150.6	172.3	-173.8	176.2	-0.5	113.2	I57	R55-I57 VanDerWaalsContact C-N 3.31Å; R55-I57 HydrophobicContact CG-CD1 4.29Å; R55-I57 HydrophobicContact CG-CG1 4.39Å; R55-I57 PolarHBondContact O-N 2.64Å
56	L	49.8	Very low	50.7	Low	78 Å²	78	109.8 Å²	109.8	41%	0.408	56%	0.556	S	S	.	*			trans	-71.6	81.9	177.1	-71.2	175.9	0	0	0	111.3	N54 F58 Y67 L87	N54-L56 PolarHBondContact O-N 2.83Å; L56-F58 HydrophobicContact CB-CE2 4.43Å; L56-F58 PolarHBondContact O-N 3.41Å; L56-Y67 HydrophobicContact CD1-CE1 3.8Å; L56-L87 HydrophobicContact CB-CD2 3.77Å
57	I	49.6	Very low	52	Low	108 Å²	108	108 Å²	108	55%	0.554	54%	0.54	S	S	*	.			trans	-78.7	113.4	171.7	-61.6	172.1	0	0	0	108.2	R55 E59	R55-I57 VanDerWaalsContact C-N 3.31Å; R55-I57 HydrophobicContact CG-CD1 4.29Å; R55-I57 HydrophobicContact CG-CG1 4.39Å; R55-I57 PolarHBondContact O-N 2.64Å; I57-E59 HydrophobicContact CG2-CG 4.43Å; I57-E59 PolarHBondContact O-N 3.22Å; I57-E59 VanDerWaalsContact O-N 3.08Å
58	F	55.9	Low	53.4	Low	18 Å²	18	99.9 Å²	99.9	8%	0.079	50%	0.502	C	S	.	.			trans	-80.9	86.5	174.9	-71.7	-75.1	0	0	0	110.5	L56 N60 L64 Y67 L87 F89 Y93	L56-F58 HydrophobicContact CB-CE2 4.43Å; L56-F58 PolarHBondContact O-N 3.41Å; F58-N60 PolarHBondContact O-N 3.1Å; F58-L64 HydrophobicContact CD1-CB 4.28Å; F58-Y67 HydrophobicContact CE1-CD1 4.21Å; F58-Y67 AromaticContact CE1-CD2 3.57Å; F58-Y67 HydrophobicContact CE1-CD2 3.57Å; F58-Y67 HydrophobicContact CE1-CE2 4.26Å; F58-Y67 AromaticContact CE1-CG 3.51Å; F58-Y67 HydrophobicContact CE1-CG 3.51Å; F58-Y67 AromaticContact CZ-CD1 3.8Å; F58-Y67 HydrophobicContact CZ-CD1 3.8Å; F58-Y67 HydrophobicContact CZ-CD2 4Å; F58-Y67 HydrophobicContact CZ-CE1 4.38Å; F58-Y67 AromaticContact CZ-CG 3.56Å; F58-Y67 HydrophobicContact CZ-CG 3.56Å; F58-L87 HydrophobicContact CE2-CD1 4.15Å; F58-L87 HydrophobicContact CE2-CD2 4.13Å; F58-F89 HydrophobicContact CB-CE1 3.6Å; F58-F89 HydrophobicContact CB-CE2 4.4Å; F58-F89 HydrophobicContact CB-CZ 3.48Å; F58-F89 VanDerWaalsContact CB-CZ 3.48Å; F58-F89 HydrophobicContact CD1-CZ 4.48Å; F58-F89 HydrophobicContact CD2-CD2 4.32Å; F58-F89 HydrophobicContact CD2-CE1 4.19Å; F58-F89 AromaticContact CD2-CE2 3.4Å; F58-F89 HydrophobicContact CD2-CE2 3.4Å; F58-F89 VanDerWaalsContact CD2-CE2 3.4Å; F58-F89 AromaticContact CD2-CZ 3.3Å; F58-F89 HydrophobicContact CD2-CZ 3.3Å; F58-F89 AromaticContact CE2-CE2 3.96Å; F58-F89 HydrophobicContact CE2-CE2 3.96Å; F58-F89 HydrophobicContact CE2-CZ 4.17Å; F58-F89 HydrophobicContact CG-CE1 4.16Å; F58-F89 HydrophobicContact CG-CE2 4.1Å; F58-F89 AromaticContact CG-CZ 3.5Å; F58-F89 HydrophobicContact CG-CZ 3.5Å; F58-F89 VanDerWaalsContact CG-CZ 3.5Å; F58-Y93 VanDerWaalsContact O-CE2 3.29Å; F58-Y93 WeakPolarHBondContact O-CE2 3.42Å
59	E	58.9	Low	55	Low	153 Å²	153	101.3 Å²	101.3	72%	0.715	50%	0.497	S	S	*	.			trans	-57.3	-33	-178.9	-62.8	-179.2	154.8	0	0	113.3	I57 Y93	I57-E59 HydrophobicContact CG2-CG 4.43Å; I57-E59 PolarHBondContact O-N 3.22Å; I57-E59 VanDerWaalsContact O-N 3.08Å; E59-Y93 WeakPolarHBondContact O-CE2 3.38Å; E59-Y93 PolarHBondContact O-OH 2.89Å
60	N	60.4	Low	56.3	Low	64 Å²	64	101.1 Å²	101.1	34%	0.342	49%	0.49	S	S	.	.	S	Bend	trans	-142.7	164.2	-179.2	74.1	68.6	0	0	0	113	F58 A62 S63 L64	F58-N60 PolarHBondContact O-N 3.1Å; N60-A62 PolarHBondContact O-N 3.48Å; N60-A62 WeakPolarHBondContact OD1-CA 3.27Å; N60-A62 WeakPolarHBondContact OD1-CB 3.2Å; N60-A62 PolarHBondContact OD1-N 3.45Å; N60-S63 PolarHBondContact ND2-OG 3.39Å; N60-S63 PolarHBondContact O-N 2.9Å; N60-S63 PolarHBondContact OD1-N 2.99Å; N60-S63 PolarHBondContact OD1-OG 2.93Å; N60-L64 PolarHBondContact O-N 2.87Å
61	L	65.9	Low	57.4	Low	19 Å²	19	97 Å²	97	10%	0.099	47%	0.47	C	S	.	.	H	α-helix	trans	-70	-27.4	-177.6	-108	161.8	0	0	0	114.2	L64 F65 Y93 R96 I100	L61-L64 HydrophobicContact CD2-CD2 4.05Å; L61-L64 PolarHBondContact O-N 3.32Å; L61-F65 HydrophobicContact CB-CE2 4.44Å; L61-F65 HydrophobicContact CD2-CD2 4.41Å; L61-F65 HydrophobicContact CD2-CE2 3.96Å; L61-F65 HydrophobicContact CD2-CZ 4.07Å; L61-F65 WeakPolarHBondContact O-CD2 3.42Å; L61-F65 WeakPolarHBondContact O-CG 3.45Å; L61-F65 PolarHBondContact O-N 3.3Å; L61-Y93 HydrophobicContact CD1-CD1 4.1Å; L61-Y93 HydrophobicContact CD1-CE1 4.4Å; L61-Y93 HydrophobicContact CG-CD1 3.95Å; L61-Y93 HydrophobicContact CG-CE1 4.29Å; L61-R96 HydrophobicContact CD1-CB 3.94Å; L61-R96 HydrophobicContact CD1-CG 4.46Å; L61-R96 VanDerWaalsContact CD1-CZ 3.47Å; L61-I100 HydrophobicContact CD2-CD1 4.11Å
62	A	69.1	Low	58.4	Low	66 Å²	66	88.3 Å²	88.3	55%	0.545	44%	0.438	S	S	.	.	H	α-helix	trans	-69.4	-37.4	176.4	0	0	0	0	0	111.1	N60 L64 F65 K66	N60-A62 PolarHBondContact O-N 3.48Å; N60-A62 WeakPolarHBondContact OD1-CA 3.27Å; N60-A62 WeakPolarHBondContact OD1-CB 3.2Å; N60-A62 PolarHBondContact OD1-N 3.45Å; A62-L64 VanDerWaalsContact C-N 3.33Å; A62-L64 PolarHBondContact O-N 3.21Å; A62-F65 PolarHBondContact O-N 2.9Å; A62-K66 VanDerWaalsContact O-CB 3.31Å; A62-K66 WeakPolarHBondContact O-CB 3.44Å; A62-K66 PolarHBondContact O-N 3.25Å
63	S	69.2	Low	59.2	Low	46 Å²	46	87 Å²	87	32%	0.322	44%	0.439	S	S	.	.	H	α-helix	trans	-62.2	-38.1	171	-60.1	0	0	0	0	112.2	N60 Y67	N60-S63 PolarHBondContact ND2-OG 3.39Å; N60-S63 PolarHBondContact O-N 2.9Å; N60-S63 PolarHBondContact OD1-N 2.99Å; N60-S63 PolarHBondContact OD1-OG 2.93Å; S63-Y67 WeakPolarHBondContact O-CB 3.43Å; S63-Y67 PolarHBondContact O-N 3.44Å
64	L	67.1	Low	59.7	Low	1 Å²	1	81.8 Å²	81.8	1%	0.005	44%	0.44	C	S	.	.	H	α-helix	trans	-66.7	-47.6	171.8	170.5	58	0	0	0	111.7	F58 N60 L61 A62 K66 Y67 L68 F89 L97	F58-L64 HydrophobicContact CD1-CB 4.28Å; N60-L64 PolarHBondContact O-N 2.87Å; L61-L64 HydrophobicContact CD2-CD2 4.05Å; L61-L64 PolarHBondContact O-N 3.32Å; A62-L64 VanDerWaalsContact C-N 3.33Å; A62-L64 PolarHBondContact O-N 3.21Å; L64-K66 VanDerWaalsContact C-N 3.32Å; L64-K66 PolarHBondContact O-N 3.48Å; L64-Y67 CarbonylContact O-C 3.43Å; L64-Y67 PolarHBondContact O-N 3.04Å; L64-Y67 VanDerWaalsContact O-N 3.07Å; L64-L68 HydrophobicContact CD1-CD1 3.86Å; L64-L68 HydrophobicContact CD1-CG 3.86Å; L64-L68 HydrophobicContact CG-CD1 3.91Å; L64-L68 HydrophobicContact CG-CG 4.39Å; L64-L68 PolarHBondContact O-N 3.28Å; L64-F89 HydrophobicContact CB-CZ 4.07Å; L64-F89 HydrophobicContact CD1-CE2 4.06Å; L64-F89 HydrophobicContact CD1-CZ 3.72Å; L64-F89 HydrophobicContact CD2-CE1 4.04Å; L64-F89 HydrophobicContact CD2-CE2 4.49Å; L64-F89 HydrophobicContact CD2-CZ 3.68Å; L64-F89 HydrophobicContact CG-CZ 4Å; L64-L97 HydrophobicContact CD2-CD1 4.39Å; L64-L97 HydrophobicContact CD2-CD2 4.39Å
65	F	67.8	Low	60.2	Low	70 Å²	70	82.3 Å²	82.3	31%	0.307	44%	0.435	S	S	.	.	H	α-helix	trans	-59.6	-44	178.5	-73.7	-51.1	0	0	0	111.8	L61 A62 Y67 L68 E69 I100 V117	L61-F65 HydrophobicContact CB-CE2 4.44Å; L61-F65 HydrophobicContact CD2-CD2 4.41Å; L61-F65 HydrophobicContact CD2-CE2 3.96Å; L61-F65 HydrophobicContact CD2-CZ 4.07Å; L61-F65 WeakPolarHBondContact O-CD2 3.42Å; L61-F65 WeakPolarHBondContact O-CG 3.45Å; L61-F65 PolarHBondContact O-N 3.3Å; A62-F65 PolarHBondContact O-N 2.9Å; F65-Y67 VanDerWaalsContact C-N 3.3Å; F65-Y67 PolarHBondContact O-N 2.85Å; F65-L68 HydrophobicContact CD1-CD1 4.3Å; F65-L68 WeakPolarHBondContact O-CB 3.43Å; F65-L68 PolarHBondContact O-N 2.88Å; F65-L68 VanDerWaalsContact O-N 3.14Å; F65-E69 WeakPolarHBondContact O-CB 3.43Å; F65-E69 PolarHBondContact O-N 2.9Å; F65-I100 HydrophobicContact CE1-CD1 3.95Å; F65-I100 HydrophobicContact CE1-CG2 4.38Å; F65-I100 HydrophobicContact CZ-CD1 3.49Å; F65-I100 VanDerWaalsContact CZ-CD1 3.49Å; F65-I100 HydrophobicContact CZ-CG1 4.38Å; F65-V117 HydrophobicContact CD1-CG1 3.93Å; F65-V117 HydrophobicContact CE1-CG1 3.39Å; F65-V117 HydrophobicContact CZ-CG1 3.97Å
66	K	68	Low	60.6	Low	133 Å²	133	74.1 Å²	74.1	58%	0.578	41%	0.405	S	S	*	.	H	α-helix	trans	-59.5	-38.5	173.2	-171	171.8	-176.4	175.1	0	112.2	A62 L64 I70	A62-K66 VanDerWaalsContact O-CB 3.31Å; A62-K66 WeakPolarHBondContact O-CB 3.44Å; A62-K66 PolarHBondContact O-N 3.25Å; L64-K66 VanDerWaalsContact C-N 3.32Å; L64-K66 PolarHBondContact O-N 3.48Å; K66-I70 HydrophobicContact CG-CD1 4.02Å; K66-I70 WeakPolarHBondContact O-CB 3.22Å; K66-I70 WeakPolarHBondContact O-CD1 3.48Å; K66-I70 WeakPolarHBondContact O-CG1 3.45Å; K66-I70 PolarHBondContact O-N 3.34Å
67	Y	63.9	Low	60.5	Low	99 Å²	99	75.2 Å²	75.2	39%	0.388	42%	0.415	S	S	.	.	H	α-helix	trans	-74.1	-29.5	174.2	-104.2	-100.3	0	0	0	114.2	L56 F58 S63 L64 F65 A71	L56-Y67 HydrophobicContact CD1-CE1 3.8Å; F58-Y67 HydrophobicContact CE1-CD1 4.21Å; F58-Y67 AromaticContact CE1-CD2 3.57Å; F58-Y67 HydrophobicContact CE1-CD2 3.57Å; F58-Y67 HydrophobicContact CE1-CE2 4.26Å; F58-Y67 AromaticContact CE1-CG 3.51Å; F58-Y67 HydrophobicContact CE1-CG 3.51Å; F58-Y67 AromaticContact CZ-CD1 3.8Å; F58-Y67 HydrophobicContact CZ-CD1 3.8Å; F58-Y67 HydrophobicContact CZ-CD2 4Å; F58-Y67 HydrophobicContact CZ-CE1 4.38Å; F58-Y67 AromaticContact CZ-CG 3.56Å; F58-Y67 HydrophobicContact CZ-CG 3.56Å; S63-Y67 WeakPolarHBondContact O-CB 3.43Å; S63-Y67 PolarHBondContact O-N 3.44Å; L64-Y67 CarbonylContact O-C 3.43Å; L64-Y67 PolarHBondContact O-N 3.04Å; L64-Y67 VanDerWaalsContact O-N 3.07Å; F65-Y67 VanDerWaalsContact C-N 3.3Å; F65-Y67 PolarHBondContact O-N 2.85Å; Y67-A71 WeakPolarHBondContact O-CB 3.2Å; Y67-A71 PolarHBondContact O-N 3.33Å
68	L	64.4	Low	60.4	Low	16 Å²	16	72.7 Å²	72.7	8%	0.084	41%	0.407	C	S	.	.	H	α-helix	trans	-68	-44.3	171	-78.2	164.6	0	0	0	110.5	L64 F65 I70 A71 Y72 F84 L97	L64-L68 HydrophobicContact CD1-CD1 3.86Å; L64-L68 HydrophobicContact CD1-CG 3.86Å; L64-L68 HydrophobicContact CG-CD1 3.91Å; L64-L68 HydrophobicContact CG-CG 4.39Å; L64-L68 PolarHBondContact O-N 3.28Å; F65-L68 HydrophobicContact CD1-CD1 4.3Å; F65-L68 WeakPolarHBondContact O-CB 3.43Å; F65-L68 PolarHBondContact O-N 2.88Å; F65-L68 VanDerWaalsContact O-N 3.14Å; L68-I70 VanDerWaalsContact C-N 3.35Å; L68-I70 PolarHBondContact O-N 2.85Å; L68-A71 PolarHBondContact O-N 2.91Å; L68-Y72 HydrophobicContact CD2-CD2 4.24Å; L68-Y72 HydrophobicContact CD2-CE2 4.33Å; L68-Y72 WeakPolarHBondContact O-CA 3.43Å; L68-Y72 WeakPolarHBondContact O-CB 3.47Å; L68-Y72 PolarHBondContact O-N 2.73Å; L68-F84 HydrophobicContact CD2-CZ 3.8Å; L68-L97 HydrophobicContact CD1-CD1 4.16Å
69	E	66.7	Low	60.1	Low	138 Å²	138	72.9 Å²	72.9	65%	0.645	41%	0.41	S	S	*	.	H	α-helix	trans	-61.5	-39.9	174.9	-174.5	176.3	-150.8	0	0	112.1	F65 S73	F65-E69 WeakPolarHBondContact O-CB 3.43Å; F65-E69 PolarHBondContact O-N 2.9Å; E69-S73 VanDerWaalsContact O-CA 3.23Å; E69-S73 WeakPolarHBondContact O-CA 3.5Å; E69-S73 WeakPolarHBondContact O-CB 3.33Å; E69-S73 PolarHBondContact O-N 3.03Å
70	I	65.4	Low	59.8	Low	110 Å²	110	73 Å²	73	56%	0.564	41%	0.408	S	S	*	.	H	α-helix	trans	-71.4	-46.5	174	-70.8	164.5	0	0	0	112	K66 L68 Y72	K66-I70 HydrophobicContact CG-CD1 4.02Å; K66-I70 WeakPolarHBondContact O-CB 3.22Å; K66-I70 WeakPolarHBondContact O-CD1 3.48Å; K66-I70 WeakPolarHBondContact O-CG1 3.45Å; K66-I70 PolarHBondContact O-N 3.34Å; L68-I70 VanDerWaalsContact C-N 3.35Å; L68-I70 PolarHBondContact O-N 2.85Å; I70-Y72 VanDerWaalsContact C-N 3.33Å; I70-Y72 PolarHBondContact O-N 3Å
71	A	58.6	Low	59.5	Low	52 Å²	52	74.1 Å²	74.1	43%	0.43	41%	0.407	S	S	.	.	H	α-helix	trans	-78.4	-16.8	-175.1	0	0	0	0	0	113.9	Y67 L68	Y67-A71 WeakPolarHBondContact O-CB 3.2Å; Y67-A71 PolarHBondContact O-N 3.33Å; L68-A71 PolarHBondContact O-N 2.91Å
72	Y	58	Low	59	Low	27 Å²	27	78.3 Å²	78.3	11%	0.106	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144.7	55.7	-177.8	-59.1	-93.8	0	0	0	111.9	L68 I70 G74 L76 F84	L68-Y72 HydrophobicContact CD2-CD2 4.24Å; L68-Y72 HydrophobicContact CD2-CE2 4.33Å; L68-Y72 WeakPolarHBondContact O-CA 3.43Å; L68-Y72 WeakPolarHBondContact O-CB 3.47Å; L68-Y72 PolarHBondContact O-N 2.73Å; I70-Y72 VanDerWaalsContact C-N 3.33Å; I70-Y72 PolarHBondContact O-N 3Å; Y72-G74 PolarHBondContact O-N 3.41Å; Y72-L76 HydrophobicContact CD1-CD1 4.32Å; Y72-L76 HydrophobicContact CD1-CD2 3.74Å; Y72-L76 HydrophobicContact CD1-CG 3.65Å; Y72-L76 HydrophobicContact CD2-CD1 4.28Å; Y72-L76 HydrophobicContact CD2-CG 4.45Å; Y72-L76 HydrophobicContact CE1-CD2 3.93Å; Y72-L76 HydrophobicContact CE1-CG 4.34Å; Y72-L76 HydrophobicContact CG-CD1 3.86Å; Y72-L76 HydrophobicContact CG-CD2 4.09Å; Y72-L76 HydrophobicContact CG-CG 3.69Å; Y72-F84 AromaticContact CE2-CE2 3.87Å; Y72-F84 HydrophobicContact CE2-CE2 3.87Å; Y72-F84 AromaticContact CE2-CZ 3.85Å; Y72-F84 HydrophobicContact CE2-CZ 3.85Å
73	S	55.6	Low	58.3	Low	99 Å²	99	82.3 Å²	82.3	69%	0.692	44%	0.435	S	S	*	.	S	Bend	trans	-57.2	107.8	179.3	48.5	0	0	0	0	112.5	E69 K75	E69-S73 VanDerWaalsContact O-CA 3.23Å; E69-S73 WeakPolarHBondContact O-CA 3.5Å; E69-S73 WeakPolarHBondContact O-CB 3.33Å; E69-S73 PolarHBondContact O-N 3.03Å; S73-K75 PolarHBondContact O-N 2.86Å
74	G	54.9	Low	57.7	Low	83 Å²	83	81.7 Å²	81.7	86%	0.856	43%	0.427	S	S	*	.	S	Bend	trans	69.4	-10	170.8	0	0	0	0	0	118.2	Y72	Y72-G74 PolarHBondContact O-N 3.41Å
75	K	51.5	Low	56.9	Low	164 Å²	164	91 Å²	91	71%	0.713	46%	0.462	S	S	*	.			trans	-141.7	94.7	-175.1	-65.9	-174.9	-178.8	178.7	0	112.8	S73	S73-K75 PolarHBondContact O-N 2.86Å
76	L	51.8	Low	56.4	Low	12 Å²	12	91.5 Å²	91.5	6%	0.063	49%	0.487	C	S	.	.	B	Isolated β-bridge	trans	-103.8	90.4	-177.9	-123.6	153	0	0	0	112.4	Y72 S78 P79 V118 Q121	Y72-L76 HydrophobicContact CD1-CD1 4.32Å; Y72-L76 HydrophobicContact CD1-CD2 3.74Å; Y72-L76 HydrophobicContact CD1-CG 3.65Å; Y72-L76 HydrophobicContact CD2-CD1 4.28Å; Y72-L76 HydrophobicContact CD2-CG 4.45Å; Y72-L76 HydrophobicContact CE1-CD2 3.93Å; Y72-L76 HydrophobicContact CE1-CG 4.34Å; Y72-L76 HydrophobicContact CG-CD1 3.86Å; Y72-L76 HydrophobicContact CG-CD2 4.09Å; Y72-L76 HydrophobicContact CG-CG 3.69Å; L76-S78 PolarHBondContact O-N 3.35Å; L76-P79 HydrophobicContact CD2-CB 3.76Å; L76-P79 HydrophobicContact CD2-CG 4.18Å; L76-V118 HydrophobicContact CB-CG1 3.94Å; L76-V118 HydrophobicContact CD1-CG1 3.67Å; L76-V118 HydrophobicContact CD1-CG2 4.36Å; L76-V118 HydrophobicContact CG-CG1 4.31Å; L76-Q121 PolarHBondContact O-N 2.58Å
77	T	48.6	Very low	55.9	Low	101 Å²	101	87.3 Å²	87.3	62%	0.62	47%	0.47	S	S	*	.	S	Bend	trans	-77.2	59.9	170.6	41.8	0	0	0	0	111.9	Q121	T77-Q121 HydrophobicContact CG2-CB 4Å; T77-Q121 HydrophobicContact CG2-CG 3.97Å
78	S	47.2	Very low	55.6	Low	56 Å²	56	90.8 Å²	90.8	39%	0.392	48%	0.483	S	S	.	.			trans	62.3	126.7	-173.9	-169.4	0	0	0	0	114.5	L76 K80	L76-S78 PolarHBondContact O-N 3.35Å; S78-K80 PolarHBondContact O-N 3.48Å
79	P	49.2	Very low	55.5	Low	22 Å²	22	91 Å²	91	14%	0.143	48%	0.483	C	S	.	.			trans	-72.5	89.5	-178.3	29.3	-31.7	0	0	0	110.5	F13 L76 W81	F13-P79 HydrophobicContact CE1-CG 4.2Å; L76-P79 HydrophobicContact CD2-CB 3.76Å; L76-P79 HydrophobicContact CD2-CG 4.18Å; P79-W81 PolarHBondContact O-N 3.06Å
80	K	52.2	Low	55.6	Low	154 Å²	154	86.8 Å²	86.8	67%	0.67	47%	0.472	S	S	*	.			trans	-61.4	106.5	172.3	-70.8	-171.4	177.4	-176.7	0	109.9	S78 D82 K83	S78-K80 PolarHBondContact O-N 3.48Å; K80-D82 PolarHBondContact O-N 3.41Å; K80-K83 PolarHBondContact O-N 3.28Å
81	W	55.5	Low	55.6	Low	88 Å²	88	85.5 Å²	85.5	33%	0.333	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-50.1	-19.6	173.7	-74.7	103.6	0	0	0	114.3	P79 K83 F84 R85 L97	P79-W81 PolarHBondContact O-N 3.06Å; W81-K83 PolarHBondContact O-N 3.09Å; W81-F84 HydrophobicContact CE3-CB 4.25Å; W81-F84 CarbonylContact O-C 3.58Å; W81-F84 WeakPolarHBondContact O-CA 3.32Å; W81-F84 WeakPolarHBondContact O-CB 3.44Å; W81-F84 PolarHBondContact O-N 3.34Å; W81-R85 PolarHBondContact O-N 2.92Å; W81-L97 HydrophobicContact CH2-CD2 3.84Å; W81-L97 HydrophobicContact CZ2-CD2 4.28Å
82	D	55	Low	56.3	Low	107 Å²	107	89 Å²	89	57%	0.572	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-54.3	-36.4	172.1	-143.7	47.8	0	0	0	112.9	K80 F84 R85	K80-D82 PolarHBondContact O-N 3.41Å; D82-F84 PolarHBondContact O-N 3Å; D82-R85 IonicContact OD1-CZ 2.76Å; D82-R85 IonicContact OD1-NE 2.68Å; D82-R85 PolarHBondContact OD1-NE 3.11Å; D82-R85 IonicContact OD1-NH2 2.64Å; D82-R85 PolarHBondContact OD1-NH2 3.41Å
83	K	53	Low	56.9	Low	151 Å²	151	89.1 Å²	89.1	66%	0.657	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-71.1	-10.7	172.5	-71.2	-163.3	-177.2	-178.5	0	114.2	K80 W81	K80-K83 PolarHBondContact O-N 3.28Å; W81-K83 PolarHBondContact O-N 3.09Å
84	F	57.1	Low	57.6	Low	33 Å²	33	87.4 Å²	87.4	15%	0.145	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-112.4	2.7	-177	-65.4	-89.2	0	0	0	113.4	L68 Y72 W81 D82 G86 L87	L68-F84 HydrophobicContact CD2-CZ 3.8Å; Y72-F84 AromaticContact CE2-CE2 3.87Å; Y72-F84 HydrophobicContact CE2-CE2 3.87Å; Y72-F84 AromaticContact CE2-CZ 3.85Å; Y72-F84 HydrophobicContact CE2-CZ 3.85Å; W81-F84 HydrophobicContact CE3-CB 4.25Å; W81-F84 CarbonylContact O-C 3.58Å; W81-F84 WeakPolarHBondContact O-CA 3.32Å; W81-F84 WeakPolarHBondContact O-CB 3.44Å; W81-F84 PolarHBondContact O-N 3.34Å; D82-F84 PolarHBondContact O-N 3Å; F84-G86 PolarHBondContact O-N 2.82Å; F84-L87 HydrophobicContact CB-CD1 4.26Å; F84-L87 HydrophobicContact CD1-CD1 3.7Å; F84-L87 HydrophobicContact CG-CD1 4.42Å; F84-L87 PolarHBondContact O-N 3.45Å
85	R	50.3	Low	58.4	Low	196 Å²	196	87.9 Å²	87.9	74%	0.74	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	138.2	173.2	-67.4	-168.7	-161.2	-118.8	6.2	110.4	W81 D82 L87	W81-R85 PolarHBondContact O-N 2.92Å; D82-R85 IonicContact OD1-CZ 2.76Å; D82-R85 IonicContact OD1-NE 2.68Å; D82-R85 PolarHBondContact OD1-NE 3.11Å; D82-R85 IonicContact OD1-NH2 2.64Å; D82-R85 PolarHBondContact OD1-NH2 3.41Å; R85-L87 VanDerWaalsContact C-N 3.35Å
86	G	57.6	Low	59.4	Low	81 Å²	81	87 Å²	87	84%	0.835	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-11	180	0	0	0	0	0	115.6	F84 R88	F84-G86 PolarHBondContact O-N 2.82Å; G86-R88 PolarHBondContact O-N 3.44Å
87	L	58.5	Low	60.5	Low	44 Å²	44	87.6 Å²	87.6	23%	0.23	43%	0.429	C	S	.	.			trans	-79	110.6	172.1	-68.8	166.8	0	0	0	110	L56 F58 F84 R85 F89	L56-L87 HydrophobicContact CB-CD2 3.77Å; F58-L87 HydrophobicContact CE2-CD1 4.15Å; F58-L87 HydrophobicContact CE2-CD2 4.13Å; F84-L87 HydrophobicContact CB-CD1 4.26Å; F84-L87 HydrophobicContact CD1-CD1 3.7Å; F84-L87 HydrophobicContact CG-CD1 4.42Å; F84-L87 PolarHBondContact O-N 3.45Å; R85-L87 VanDerWaalsContact C-N 3.35Å; L87-F89 HydrophobicContact CB-CD2 4.39Å; L87-F89 PolarHBondContact O-N 2.91Å
88	R	56.8	Low	61.7	Low	173 Å²	173	83.9 Å²	83.9	65%	0.653	41%	0.405	S	S	*	.			trans	-65.7	81.9	170.6	-86.3	-177.2	83.4	125.4	-8.1	110	D23 E24 G86	D23-R88 PolarHBondContact O-NH2 3.26Å; E24-R88 IonicContact OE1-CZ 3.72Å; E24-R88 IonicContact OE1-NE 3.68Å; E24-R88 IonicContact OE1-NH2 2.68Å; E24-R88 PolarHBondContact OE1-NH2 2.69Å; G86-R88 PolarHBondContact O-N 3.44Å
89	F	62.4	Low	63.1	Low	20 Å²	20	85.5 Å²	85.5	9%	0.088	41%	0.409	C	S	.	.			trans	-83.1	114.4	174	-115.3	-60.6	0	0	0	110.5	F58 L64 L87 I91 Y93 K94	F58-F89 HydrophobicContact CB-CE1 3.6Å; F58-F89 HydrophobicContact CB-CE2 4.4Å; F58-F89 HydrophobicContact CB-CZ 3.48Å; F58-F89 VanDerWaalsContact CB-CZ 3.48Å; F58-F89 HydrophobicContact CD1-CZ 4.48Å; F58-F89 HydrophobicContact CD2-CD2 4.32Å; F58-F89 HydrophobicContact CD2-CE1 4.19Å; F58-F89 AromaticContact CD2-CE2 3.4Å; F58-F89 HydrophobicContact CD2-CE2 3.4Å; F58-F89 VanDerWaalsContact CD2-CE2 3.4Å; F58-F89 AromaticContact CD2-CZ 3.3Å; F58-F89 HydrophobicContact CD2-CZ 3.3Å; F58-F89 AromaticContact CE2-CE2 3.96Å; F58-F89 HydrophobicContact CE2-CE2 3.96Å; F58-F89 HydrophobicContact CE2-CZ 4.17Å; F58-F89 HydrophobicContact CG-CE1 4.16Å; F58-F89 HydrophobicContact CG-CE2 4.1Å; F58-F89 AromaticContact CG-CZ 3.5Å; F58-F89 HydrophobicContact CG-CZ 3.5Å; F58-F89 VanDerWaalsContact CG-CZ 3.5Å; L64-F89 HydrophobicContact CB-CZ 4.07Å; L64-F89 HydrophobicContact CD1-CE2 4.06Å; L64-F89 HydrophobicContact CD1-CZ 3.72Å; L64-F89 HydrophobicContact CD2-CE1 4.04Å; L64-F89 HydrophobicContact CD2-CE2 4.49Å; L64-F89 HydrophobicContact CD2-CZ 3.68Å; L64-F89 HydrophobicContact CG-CZ 4Å; L87-F89 HydrophobicContact CB-CD2 4.39Å; L87-F89 PolarHBondContact O-N 2.91Å; F89-I91 PolarHBondContact O-N 3.2Å; F89-Y93 HydrophobicContact CD1-CD2 4.32Å; F89-Y93 HydrophobicContact CD1-CG 4.47Å; F89-Y93 HydrophobicContact CE1-CD2 4.22Å; F89-Y93 HydrophobicContact CE1-CG 4.33Å; F89-K94 HydrophobicContact CB-CG 3.99Å; F89-K94 VanDerWaalsContact O-CE 3.28Å; F89-K94 WeakPolarHBondContact O-CE 3.41Å
90	A	68.8	Low	64.5	Low	49 Å²	49	86.2 Å²	86.2	41%	0.405	41%	0.411	S	S	.	.			trans	-53.2	133.9	172.4	0	0	0	0	0	110.5	K92 Y93 K94	A90-K92 HydrophobicContact CB-CG 4.13Å; A90-K92 PolarHBondContact O-N 2.83Å; A90-K92 VanDerWaalsContact O-N 3.08Å; A90-Y93 HydrophobicContact CB-CD2 4.26Å; A90-Y93 PolarHBondContact O-N 3.26Å; A90-K94 PolarHBondContact O-N 3.19Å
91	I	66.1	Low	65.7	Low	84 Å²	84	79.8 Å²	79.8	43%	0.431	39%	0.385	S	S	.	.	H	α-helix	trans	-58.6	-32.5	-167.2	-163.6	165.1	0	0	0	113.4	L18 F89 Y93 K94 I95	L18-I91 HydrophobicContact CD2-CD1 3.85Å; F89-I91 PolarHBondContact O-N 3.2Å; I91-Y93 PolarHBondContact O-N 3.32Å; I91-Y93 VanDerWaalsContact O-N 3.14Å; I91-K94 PolarHBondContact O-N 3.48Å; I91-K94 VanDerWaalsContact O-N 3.09Å; I91-I95 HydrophobicContact CG1-CD1 4.16Å; I91-I95 HydrophobicContact CG1-CG1 4.46Å; I91-I95 WeakPolarHBondContact O-CG1 3.43Å; I91-I95 PolarHBondContact O-N 2.92Å
92	K	72.3	Confident	66.6	Low	125 Å²	125	82.5 Å²	82.5	54%	0.543	40%	0.395	S	S	.	.	H	α-helix	trans	-50.8	-34.2	170.8	68.3	-172.7	-178.3	-174.7	0	113.8	A90 R96	A90-K92 HydrophobicContact CB-CG 4.13Å; A90-K92 PolarHBondContact O-N 2.83Å; A90-K92 VanDerWaalsContact O-N 3.08Å; K92-R96 VanDerWaalsContact O-CG 3.27Å; K92-R96 WeakPolarHBondContact O-CG 3.42Å; K92-R96 PolarHBondContact O-N 2.96Å
93	Y	71.2	Confident	67.6	Low	30 Å²	30	85.4 Å²	85.4	12%	0.118	40%	0.398	C	S	.	.	H	α-helix	trans	-89.1	-31.4	178.5	-62.8	-43	0	0	0	112.8	F58 E59 L61 F89 A90 I91 I95 R96 L97	F58-Y93 VanDerWaalsContact O-CE2 3.29Å; F58-Y93 WeakPolarHBondContact O-CE2 3.42Å; E59-Y93 WeakPolarHBondContact O-CE2 3.38Å; E59-Y93 PolarHBondContact O-OH 2.89Å; L61-Y93 HydrophobicContact CD1-CD1 4.1Å; L61-Y93 HydrophobicContact CD1-CE1 4.4Å; L61-Y93 HydrophobicContact CG-CD1 3.95Å; L61-Y93 HydrophobicContact CG-CE1 4.29Å; F89-Y93 HydrophobicContact CD1-CD2 4.32Å; F89-Y93 HydrophobicContact CD1-CG 4.47Å; F89-Y93 HydrophobicContact CE1-CD2 4.22Å; F89-Y93 HydrophobicContact CE1-CG 4.33Å; A90-Y93 HydrophobicContact CB-CD2 4.26Å; A90-Y93 PolarHBondContact O-N 3.26Å; I91-Y93 PolarHBondContact O-N 3.32Å; I91-Y93 VanDerWaalsContact O-N 3.14Å; Y93-I95 VanDerWaalsContact C-N 3.34Å; Y93-I95 PolarHBondContact O-N 3.13Å; Y93-R96 PolarHBondContact O-N 3.3Å; Y93-L97 WeakPolarHBondContact O-CB 3.28Å; Y93-L97 PolarHBondContact O-N 2.97Å
94	K	70	Confident	68.8	Low	62 Å²	62	78.4 Å²	78.4	27%	0.27	37%	0.368	S	S	.	.	H	α-helix	trans	-57.3	-48.4	168.8	-61.8	-176.1	-180	174.6	0	110.5	V15 F89 A90 I91 R96 L97 N98	V15-K94 HydrophobicContact CG2-CB 4.33Å; V15-K94 HydrophobicContact CG2-CD 4.3Å; F89-K94 HydrophobicContact CB-CG 3.99Å; F89-K94 VanDerWaalsContact O-CE 3.28Å; F89-K94 WeakPolarHBondContact O-CE 3.41Å; A90-K94 PolarHBondContact O-N 3.19Å; I91-K94 PolarHBondContact O-N 3.48Å; I91-K94 VanDerWaalsContact O-N 3.09Å; K94-R96 PolarHBondContact O-N 3.31Å; K94-L97 PolarHBondContact O-N 3.33Å; K94-N98 PolarHBondContact O-N 2.78Å
95	I	70.3	Confident	69.8	Low	94 Å²	94	79.4 Å²	79.4	48%	0.482	37%	0.371	S	S	.	.	H	α-helix	trans	-63.1	-41.2	178.7	-65.1	166.9	0	0	0	111.9	I91 Y93 N99	I91-I95 HydrophobicContact CG1-CD1 4.16Å; I91-I95 HydrophobicContact CG1-CG1 4.46Å; I91-I95 WeakPolarHBondContact O-CG1 3.43Å; I91-I95 PolarHBondContact O-N 2.92Å; Y93-I95 VanDerWaalsContact C-N 3.34Å; Y93-I95 PolarHBondContact O-N 3.13Å; I95-N99 PolarHBondContact O-N 3.04Å; I95-N99 VanDerWaalsContact O-N 3.09Å; I95-N99 PolarHBondContact O-ND2 3.11Å; I95-N99 VanDerWaalsContact O-ND2 3.08Å
96	R	73.2	Confident	71.1	Confident	146 Å²	146	72.9 Å²	72.9	55%	0.551	35%	0.349	S	S	*	.	H	α-helix	trans	-69.9	-40.9	177.8	-73	177	75.5	169.3	0.6	112.3	L61 K92 Y93 K94 N98 N99 I100	L61-R96 HydrophobicContact CD1-CB 3.94Å; L61-R96 HydrophobicContact CD1-CG 4.46Å; L61-R96 VanDerWaalsContact CD1-CZ 3.47Å; K92-R96 VanDerWaalsContact O-CG 3.27Å; K92-R96 WeakPolarHBondContact O-CG 3.42Å; K92-R96 PolarHBondContact O-N 2.96Å; Y93-R96 PolarHBondContact O-N 3.3Å; K94-R96 PolarHBondContact O-N 3.31Å; R96-N98 VanDerWaalsContact C-N 3.33Å; R96-N98 PolarHBondContact O-N 3.16Å; R96-N99 WeakPolarHBondContact O-CB 3.41Å; R96-N99 PolarHBondContact O-N 3.35Å; R96-I100 WeakPolarHBondContact O-CD1 3.48Å; R96-I100 VanDerWaalsContact O-CG1 3.3Å; R96-I100 WeakPolarHBondContact O-CG1 3.41Å; R96-I100 PolarHBondContact O-N 2.96Å
97	L	74.8	Confident	72.1	Confident	24 Å²	24	71.3 Å²	71.3	13%	0.126	32%	0.32	C	S	.	.	H	α-helix	trans	-59.7	-43.7	174.5	-178.3	60.3	0	0	0	111.3	L64 L68 W81 Y93 K94 N99 I100 V101	L64-L97 HydrophobicContact CD2-CD1 4.39Å; L64-L97 HydrophobicContact CD2-CD2 4.39Å; L68-L97 HydrophobicContact CD1-CD1 4.16Å; W81-L97 HydrophobicContact CH2-CD2 3.84Å; W81-L97 HydrophobicContact CZ2-CD2 4.28Å; Y93-L97 WeakPolarHBondContact O-CB 3.28Å; Y93-L97 PolarHBondContact O-N 2.97Å; K94-L97 PolarHBondContact O-N 3.33Å; L97-N99 VanDerWaalsContact C-N 3.34Å; L97-N99 PolarHBondContact O-N 2.84Å; L97-I100 WeakPolarHBondContact O-CB 3.32Å; L97-I100 PolarHBondContact O-N 2.94Å; L97-I100 VanDerWaalsContact O-N 3.13Å; L97-V101 HydrophobicContact CD1-CG2 4.43Å; L97-V101 WeakPolarHBondContact O-CG2 3.44Å; L97-V101 PolarHBondContact O-N 2.98Å
98	N	74.1	Confident	73.1	Confident	23 Å²	23	70.1 Å²	70.1	12%	0.123	31%	0.314	C	S	.	.	H	α-helix	trans	-63.4	-38.2	176.5	-72.1	-1.5	0	0	0	112.6	F13 V15 K94 R96 W102	F13-N98 VanDerWaalsContact O-CG 3.26Å; F13-N98 PolarHBondContact O-ND2 2.93Å; F13-N98 PolarHBondContact O-OD1 3.45Å; V15-N98 PolarHBondContact N-ND2 3.16Å; K94-N98 PolarHBondContact O-N 2.78Å; R96-N98 VanDerWaalsContact C-N 3.33Å; R96-N98 PolarHBondContact O-N 3.16Å; N98-W102 WeakPolarHBondContact O-CB 3.43Å; N98-W102 PolarHBondContact O-N 3.4Å
99	N	77.5	Confident	74.2	Confident	90 Å²	90	66 Å²	66	48%	0.481	30%	0.299	S	S	.	.	H	α-helix	trans	-61.8	-41	171.6	-95	-96.4	0	0	0	112.5	I95 R96 L97 R103	I95-N99 PolarHBondContact O-N 3.04Å; I95-N99 VanDerWaalsContact O-N 3.09Å; I95-N99 PolarHBondContact O-ND2 3.11Å; I95-N99 VanDerWaalsContact O-ND2 3.08Å; R96-N99 WeakPolarHBondContact O-CB 3.41Å; R96-N99 PolarHBondContact O-N 3.35Å; L97-N99 VanDerWaalsContact C-N 3.34Å; L97-N99 PolarHBondContact O-N 2.84Å; N99-R103 WeakPolarHBondContact O-CB 3.26Å; N99-R103 WeakPolarHBondContact O-CG 3.44Å; N99-R103 PolarHBondContact O-N 3.31Å
100	I	78.4	Confident	75	Confident	36 Å²	36	69.4 Å²	69.4	19%	0.185	32%	0.321	C	S	.	.	H	α-helix	trans	-65.5	-49.5	178.2	-66.6	152.7	0	0	0	110.3	L61 F65 R96 L97 W102 R103 E104 V117	L61-I100 HydrophobicContact CD2-CD1 4.11Å; F65-I100 HydrophobicContact CE1-CD1 3.95Å; F65-I100 HydrophobicContact CE1-CG2 4.38Å; F65-I100 HydrophobicContact CZ-CD1 3.49Å; F65-I100 VanDerWaalsContact CZ-CD1 3.49Å; F65-I100 HydrophobicContact CZ-CG1 4.38Å; R96-I100 WeakPolarHBondContact O-CD1 3.48Å; R96-I100 VanDerWaalsContact O-CG1 3.3Å; R96-I100 WeakPolarHBondContact O-CG1 3.41Å; R96-I100 PolarHBondContact O-N 2.96Å; L97-I100 WeakPolarHBondContact O-CB 3.32Å; L97-I100 PolarHBondContact O-N 2.94Å; L97-I100 VanDerWaalsContact O-N 3.13Å; I100-W102 VanDerWaalsContact C-N 3.34Å; I100-W102 PolarHBondContact O-N 2.75Å; I100-R103 PolarHBondContact O-N 3.08Å; I100-E104 WeakPolarHBondContact O-CB 3.45Å; I100-E104 PolarHBondContact O-N 3.05Å; I100-V117 HydrophobicContact CG2-CB 4.31Å; I100-V117 HydrophobicContact CG2-CG1 4.04Å
101	V	76.5	Confident	75.6	Confident	20 Å²	20	73.5 Å²	73.5	12%	0.121	33%	0.33	C	S	.	.	H	α-helix	trans	-56.8	-46.4	177.6	167.7	0	0	0	0	111.3	F13 L97 Y105 F120	F13-V101 HydrophobicContact CD1-CG1 4.03Å; F13-V101 HydrophobicContact CE1-CG1 4.39Å; F13-V101 HydrophobicContact CG-CG1 4.14Å; L97-V101 HydrophobicContact CD1-CG2 4.43Å; L97-V101 WeakPolarHBondContact O-CG2 3.44Å; L97-V101 PolarHBondContact O-N 2.98Å; V101-Y105 WeakPolarHBondContact O-CB 3.43Å; V101-Y105 PolarHBondContact O-N 3.49Å; V101-F120 HydrophobicContact CG1-CZ 4.17Å
102	W	74.7	Confident	76.2	Confident	145 Å²	145	78.5 Å²	78.5	55%	0.549	35%	0.348	S	S	.	.	H	α-helix	trans	-68	-41.4	-179.8	-166	88	0	0	0	112.6	N98 I100 Y105 H106	N98-W102 WeakPolarHBondContact O-CB 3.43Å; N98-W102 PolarHBondContact O-N 3.4Å; I100-W102 VanDerWaalsContact C-N 3.34Å; I100-W102 PolarHBondContact O-N 2.75Å; W102-Y105 PolarHBondContact O-N 2.96Å; W102-H106 AromaticContact CH2-CD2 3.73Å; W102-H106 AromaticContact CZ3-CD2 3.9Å; W102-H106 WeakPolarHBondContact O-CB 3.47Å; W102-H106 PolarHBondContact O-N 3.42Å
103	R	76.7	Confident	76.5	Confident	168 Å²	168	77.1 Å²	77.1	63%	0.634	35%	0.346	S	S	*	.	H	α-helix	trans	-67.4	-39.7	176.2	-75.8	-171	176.2	-152.5	-2	112.6	N99 I100 H106 M107	N99-R103 WeakPolarHBondContact O-CB 3.26Å; N99-R103 WeakPolarHBondContact O-CG 3.44Å; N99-R103 PolarHBondContact O-N 3.31Å; I100-R103 PolarHBondContact O-N 3.08Å; R103-H106 PolarHBondContact O-N 3.41Å; R103-M107 WeakPolarHBondContact O-CB 3.38Å; R103-M107 VanDerWaalsContact O-CG 3.28Å; R103-M107 WeakPolarHBondContact O-CG 3.48Å; R103-M107 PolarHBondContact O-N 3.26Å
104	E	77	Confident	76.7	Confident	3 Å²	3	84.5 Å²	84.5	1%	0.014	38%	0.379	C	S	.	.	H	α-helix	trans	-63.5	-43.2	174.1	-82.7	-62.6	166	0	0	112.3	I100 H106 M107 Q108 P115 V116 V117 F120	I100-E104 WeakPolarHBondContact O-CB 3.45Å; I100-E104 PolarHBondContact O-N 3.05Å; E104-H106 VanDerWaalsContact C-N 3.34Å; E104-H106 PolarHBondContact O-N 3.3Å; E104-M107 VanDerWaalsContact CD-CE 3.42Å; E104-M107 HydrophobicContact CG-CE 4.19Å; E104-M107 PolarHBondContact O-N 2.85Å; E104-M107 VanDerWaalsContact OE1-CE 3.31Å; E104-M107 WeakPolarHBondContact OE1-CE 3.48Å; E104-Q108 WeakPolarHBondContact O-CB 3.49Å; E104-Q108 PolarHBondContact O-N 3.25Å; E104-Q108 PolarHBondContact O-NE2 3.42Å; E104-Q108 PolarHBondContact OE2-NE2 2.94Å; E104-P115 WeakPolarHBondContact OE2-CA 3.48Å; E104-V116 WeakPolarHBondContact OE1-CA 3.29Å; E104-V116 PolarHBondContact OE1-N 2.87Å; E104-V117 HydrophobicContact CG-CB 4.21Å; E104-V117 WeakPolarHBondContact OE1-CB 3.42Å; E104-V117 PolarHBondContact OE1-N 3.11Å; E104-F120 HydrophobicContact CB-CE2 3.77Å
105	Y	78.5	Confident	76.8	Confident	54 Å²	54	83.9 Å²	83.9	21%	0.212	38%	0.381	C	S	.	.	H	α-helix	trans	-60.4	-45.1	175.7	178.6	-96	0	0	0	111.2	V8 V101 W102 M107 Y109	V8-Y105 HydrophobicContact CB-CE1 4.38Å; V8-Y105 HydrophobicContact CB-CE2 4.19Å; V8-Y105 HydrophobicContact CG2-CD2 3.91Å; V8-Y105 HydrophobicContact CG2-CE2 3.48Å; V8-Y105 VanDerWaalsContact CG2-CE2 3.48Å; V101-Y105 WeakPolarHBondContact O-CB 3.43Å; V101-Y105 PolarHBondContact O-N 3.49Å; W102-Y105 PolarHBondContact O-N 2.96Å; Y105-M107 PolarHBondContact O-N 2.87Å; Y105-Y109 AromaticContact CD2-CD2 3.46Å; Y105-Y109 HydrophobicContact CD2-CD2 3.46Å; Y105-Y109 VanDerWaalsContact CD2-CD2 3.46Å; Y105-Y109 HydrophobicContact CD2-CE2 4.01Å; Y105-Y109 HydrophobicContact CD2-CG 4.3Å; Y105-Y109 AromaticContact CE2-CD2 3.62Å; Y105-Y109 HydrophobicContact CE2-CD2 3.62Å; Y105-Y109 HydrophobicContact CE2-CE2 4.23Å; Y105-Y109 HydrophobicContact CE2-CG 4.08Å; Y105-Y109 HydrophobicContact CG-CD2 4.24Å; Y105-Y109 PolarHBondContact O-N 3.39Å
106	H	76.7	Confident	76.9	Confident	59 Å²	59	85 Å²	85	27%	0.273	39%	0.392	S	S	.	.	I	π-helix	trans	-65.1	-36.6	175.8	-169.2	-40.6	0	0	0	112.5	W102 R103 E104 V110 K111	W102-H106 AromaticContact CH2-CD2 3.73Å; W102-H106 AromaticContact CZ3-CD2 3.9Å; W102-H106 WeakPolarHBondContact O-CB 3.47Å; W102-H106 PolarHBondContact O-N 3.42Å; R103-H106 PolarHBondContact O-N 3.41Å; E104-H106 VanDerWaalsContact C-N 3.34Å; E104-H106 PolarHBondContact O-N 3.3Å; H106-V110 WeakPolarHBondContact O-CB 3.36Å; H106-V110 PolarHBondContact O-N 3.02Å; H106-K111 PolarHBondContact O-N 2.78Å
107	M	80.2	Confident	76.6	Confident	48 Å²	48	81.2 Å²	81.2	24%	0.236	39%	0.385	C	S	.	.	I	π-helix	trans	-67.6	-49.6	176.8	-74.3	-173.6	-52.7	0	0	111.2	R103 E104 Y105 K111 K112 L113 V116	R103-M107 WeakPolarHBondContact O-CB 3.38Å; R103-M107 VanDerWaalsContact O-CG 3.28Å; R103-M107 WeakPolarHBondContact O-CG 3.48Å; R103-M107 PolarHBondContact O-N 3.26Å; E104-M107 VanDerWaalsContact CD-CE 3.42Å; E104-M107 HydrophobicContact CG-CE 4.19Å; E104-M107 PolarHBondContact O-N 2.85Å; E104-M107 VanDerWaalsContact OE1-CE 3.31Å; E104-M107 WeakPolarHBondContact OE1-CE 3.48Å; Y105-M107 PolarHBondContact O-N 2.87Å; M107-K111 CarbonylContact O-C 3.52Å; M107-K112 PolarHBondContact O-N 3.3Å; M107-L113 HydrophobicContact CB-CB 4.39Å; M107-L113 PolarHBondContact O-N 3.48Å; M107-V116 HydrophobicContact CE-CB 4.34Å; M107-V116 HydrophobicContact CE-CG2 4.07Å; M107-V116 HydrophobicContact SD-CG2 4.41Å
108	Q	79.3	Confident	76.3	Confident	20 Å²	20	81.6 Å²	81.6	9%	0.093	39%	0.388	C	S	.	.	I	π-helix	trans	-74	-50.1	-174.8	-69.9	165.6	56.2	0	0	113.3	E104 K112 P115 V118 Q119	E104-Q108 WeakPolarHBondContact O-CB 3.49Å; E104-Q108 PolarHBondContact O-N 3.25Å; E104-Q108 PolarHBondContact O-NE2 3.42Å; E104-Q108 PolarHBondContact OE2-NE2 2.94Å; Q108-K112 WeakPolarHBondContact O-CA 3.43Å; Q108-P115 HydrophobicContact CG-CB 4.26Å; Q108-V118 PolarHBondContact NE2-O 3.16Å; Q108-Q119 VanDerWaalsContact OE1-NE2 3.09Å
109	Y	80.2	Confident	76.1	Confident	87 Å²	87	85.2 Å²	85.2	34%	0.341	40%	0.404	S	S	.	.	I	π-helix	trans	-94.2	-30.2	-170.9	-67.2	-77.4	0	0	0	114.1	Y105 F120	Y105-Y109 AromaticContact CD2-CD2 3.46Å; Y105-Y109 HydrophobicContact CD2-CD2 3.46Å; Y105-Y109 VanDerWaalsContact CD2-CD2 3.46Å; Y105-Y109 HydrophobicContact CD2-CE2 4.01Å; Y105-Y109 HydrophobicContact CD2-CG 4.3Å; Y105-Y109 AromaticContact CE2-CD2 3.62Å; Y105-Y109 HydrophobicContact CE2-CD2 3.62Å; Y105-Y109 HydrophobicContact CE2-CE2 4.23Å; Y105-Y109 HydrophobicContact CE2-CG 4.08Å; Y105-Y109 HydrophobicContact CG-CD2 4.24Å; Y105-Y109 PolarHBondContact O-N 3.39Å; Y109-F120 HydrophobicContact CE2-CB 3.77Å; Y109-F120 HydrophobicContact CE2-CD2 4.11Å; Y109-F120 HydrophobicContact CE2-CG 4.19Å
110	V	77.4	Confident	75.5	Confident	91 Å²	91	82 Å²	82	55%	0.552	39%	0.386	S	S	*	.	I	π-helix	trans	-95.9	-49	-179.3	-173.9	0	0	0	0	111.5	H106	H106-V110 WeakPolarHBondContact O-CB 3.36Å; H106-V110 PolarHBondContact O-N 3.02Å
111	K	82.3	Confident	74.6	Confident	135 Å²	135	84.5 Å²	84.5	59%	0.587	40%	0.397	S	S	*	.	S	Bend	trans	-88.6	-8.2	179.2	-66.2	-167.5	174.7	-165.8	0	114.8	H106 M107 L113	H106-K111 PolarHBondContact O-N 2.78Å; M107-K111 CarbonylContact O-C 3.52Å; K111-L113 HydrophobicContact CB-CD1 3.88Å; K111-L113 HydrophobicContact CB-CG 3.85Å; K111-L113 HydrophobicContact CD-CD1 4.02Å; K111-L113 PolarHBondContact O-N 3.36Å
112	K	79.6	Confident	73.6	Confident	188 Å²	188	87.6 Å²	87.6	82%	0.817	42%	0.416	S	S	*	.			trans	54.1	30.1	-176	-56.7	-178.1	-178.4	177.7	0	113.9	M107 Q108	M107-K112 PolarHBondContact O-N 3.3Å; Q108-K112 WeakPolarHBondContact O-CA 3.43Å
113	L	77.9	Confident	72.7	Confident	96 Å²	96	85.1 Å²	85.1	50%	0.503	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-86.5	155.9	175.9	-63.9	174	0	0	0	110.7	M107 K111	M107-L113 HydrophobicContact CB-CB 4.39Å; M107-L113 PolarHBondContact O-N 3.48Å; K111-L113 HydrophobicContact CB-CD1 3.88Å; K111-L113 HydrophobicContact CB-CG 3.85Å; K111-L113 HydrophobicContact CD-CD1 4.02Å; K111-L113 PolarHBondContact O-N 3.36Å
114	K	76	Confident	71.3	Confident	186 Å²	186	83.4 Å²	83.4	81%	0.809	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-62	146.4	172.4	-67.8	-179.2	180	177.4	0	110.3
115	P	71.9	Confident	69.6	Low	48 Å²	48	93.4 Å²	93.4	31%	0.312	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-61.9	151.1	173.3	31.7	-40.3	0	0	0	110.7	E104 Q108 Q119	E104-P115 WeakPolarHBondContact OE2-CA 3.48Å; Q108-P115 HydrophobicContact CG-CB 4.26Å; P115-Q119 HydrophobicContact CB-CB 4.32Å; P115-Q119 HydrophobicContact CG-CB 4.06Å; P115-Q119 VanDerWaalsContact CG-OE1 3.25Å
116	V	72.1	Confident	67.7	Low	117 Å²	117	97.8 Å²	97.8	71%	0.709	48%	0.482	S	S	*	.	S	Bend	trans	-109.8	-31.5	173.5	-177.5	0	0	0	0	111.1	E104 M107	E104-V116 WeakPolarHBondContact OE1-CA 3.29Å; E104-V116 PolarHBondContact OE1-N 2.87Å; M107-V116 HydrophobicContact CE-CB 4.34Å; M107-V116 HydrophobicContact CE-CG2 4.07Å; M107-V116 HydrophobicContact SD-CG2 4.41Å
117	V	67.6	Low	65.8	Low	67 Å²	67	100.9 Å²	100.9	41%	0.406	50%	0.501	S	S	.	.	S	Bend	trans	-125.7	-43.8	-170.1	-167.5	0	0	0	0	112.9	F65 I100 E104	F65-V117 HydrophobicContact CD1-CG1 3.93Å; F65-V117 HydrophobicContact CE1-CG1 3.39Å; F65-V117 HydrophobicContact CZ-CG1 3.97Å; I100-V117 HydrophobicContact CG2-CB 4.31Å; I100-V117 HydrophobicContact CG2-CG1 4.04Å; E104-V117 HydrophobicContact CG-CB 4.21Å; E104-V117 WeakPolarHBondContact OE1-CB 3.42Å; E104-V117 PolarHBondContact OE1-N 3.11Å
118	V	67.4	Low	64.1	Low	33 Å²	33	104.5 Å²	104.5	20%	0.2	52%	0.517	C	S	.	.			trans	-148	115.5	-179.2	174.7	0	0	0	0	110.5	L76 Q108 F120	L76-V118 HydrophobicContact CB-CG1 3.94Å; L76-V118 HydrophobicContact CD1-CG1 3.67Å; L76-V118 HydrophobicContact CD1-CG2 4.36Å; L76-V118 HydrophobicContact CG-CG1 4.31Å; Q108-V118 PolarHBondContact NE2-O 3.16Å; V118-F120 PolarHBondContact O-N 3.24Å
119	Q	69.3	Low	62.3	Low	98 Å²	98	108.1 Å²	108.1	46%	0.458	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-70.4	123	166.2	179.9	62.6	59.9	0	0	110	Q108 P115	Q108-Q119 VanDerWaalsContact OE1-NE2 3.09Å; P115-Q119 HydrophobicContact CB-CB 4.32Å; P115-Q119 HydrophobicContact CG-CB 4.06Å; P115-Q119 VanDerWaalsContact CG-OE1 3.25Å
120	F	66.7	Low	60.4	Low	22 Å²	22	110 Å²	110	10%	0.096	56%	0.555	C	S	.	*	B	Isolated β-bridge	trans	-77.4	132.1	165.9	-68.2	-75.7	0	0	0	109.6	V101 E104 Y109 V118 T122	V101-F120 HydrophobicContact CG1-CZ 4.17Å; E104-F120 HydrophobicContact CB-CE2 3.77Å; Y109-F120 HydrophobicContact CE2-CB 3.77Å; Y109-F120 HydrophobicContact CE2-CD2 4.11Å; Y109-F120 HydrophobicContact CE2-CG 4.19Å; V118-F120 PolarHBondContact O-N 3.24Å; F120-T122 PolarHBondContact O-N 2.81Å
121	Q	58.7	Low	58.7	Low	89 Å²	89	112 Å²	112	42%	0.416	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-64.6	122.4	169.9	-179.6	56.9	54.1	0	0	109.3	L76 T77	L76-Q121 PolarHBondContact O-N 2.58Å; T77-Q121 HydrophobicContact CG2-CB 4Å; T77-Q121 HydrophobicContact CG2-CG 3.97Å
122	T	56.2	Low	57	Low	85 Å²	85	110.5 Å²	110.5	52%	0.521	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-52.1	130.4	167.7	-50.5	0	0	0	0	108.2	F120 I124	F120-T122 PolarHBondContact O-N 2.81Å; T122-I124 PolarHBondContact O-N 2.66Å; T122-I124 VanDerWaalsContact O-N 3.09Å
123	P	54.1	Low	55.1	Low	93 Å²	93	103.1 Å²	103.1	60%	0.604	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-50.7	121.2	-179.2	-28.8	35.6	0	0	0	110.7	Y125	P123-Y125 PolarHBondContact O-N 3.04Å
124	I	49	Very low	53.5	Low	133 Å²	133	102.7 Å²	102.7	68%	0.682	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-63.1	131.3	168.2	-57.2	173.3	0	0	0	105.5	T122 E126	T122-I124 PolarHBondContact O-N 2.66Å; T122-I124 VanDerWaalsContact O-N 3.09Å; I124-E126 PolarHBondContact O-N 2.91Å
125	Y	40.5	Very low	52.3	Low	213 Å²	213	100.2 Å²	100.2	84%	0.835	53%	0.532	S	S	*	.			trans	-69	80.2	177.6	-71.8	-93.5	0	0	0	110	P123 D127	P123-Y125 PolarHBondContact O-N 3.04Å; Y125-D127 PolarHBondContact O-N 2.97Å
126	E	38.9	Very low	51	Low	145 Å²	145	104.7 Å²	104.7	68%	0.678	55%	0.552	S	S	*	*			trans	-69.7	109.9	155	-71.1	-158.8	-129.7	0	0	107.1	I124 H128	I124-E126 PolarHBondContact O-N 2.91Å; E126-H128 PolarHBondContact O-N 3.3Å; E126-H128 IonicContact OE2-CE1 2.66Å; E126-H128 PolarHBondContact OE2-CE1 2.8Å; E126-H128 IonicContact OE2-NE2 3.93Å
127	D	36.8	Very low	49.7	Very low	124 Å²	124	102.9 Å²	102.9	66%	0.663	54%	0.536	S	S	*	.			trans	-80.4	60.3	-166.2	-158.4	-3.7	0	0	0	112.1	Y125 S129	Y125-D127 PolarHBondContact O-N 2.97Å; D127-S129 PolarHBondContact O-N 3.08Å; D127-S129 VanDerWaalsContact OD1-CB 3.24Å; D127-S129 WeakPolarHBondContact OD1-CB 3.44Å; D127-S129 PolarHBondContact OD1-OG 2.82Å
128	H	43.9	Very low	48.5	Very low	124 Å²	124	101.5 Å²	101.5	57%	0.574	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	17	174.7	-52.5	-39.6	0	0	0	112.8	E126 K130	E126-H128 PolarHBondContact O-N 3.3Å; E126-H128 IonicContact OE2-CE1 2.66Å; E126-H128 PolarHBondContact OE2-CE1 2.8Å; E126-H128 IonicContact OE2-NE2 3.93Å; H128-K130 PolarHBondContact O-N 2.9Å
129	S	41.8	Very low	47.8	Very low	97 Å²	97	106.2 Å²	106.2	68%	0.678	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-15.1	-179.3	66.1	0	0	0	0	113.8	D127	D127-S129 PolarHBondContact O-N 3.08Å; D127-S129 VanDerWaalsContact OD1-CB 3.24Å; D127-S129 WeakPolarHBondContact OD1-CB 3.44Å; D127-S129 PolarHBondContact OD1-OG 2.82Å
130	K	39.6	Very low	46.8	Very low	126 Å²	126	106.5 Å²	106.5	55%	0.548	55%	0.551	S	S	.	*			trans	-104.7	119.3	170.4	-85.8	-171.3	161.4	-150.4	0	112.2	H128 E132 A133	H128-K130 PolarHBondContact O-N 2.9Å; K130-E132 HydrophobicContact CB-CB 4.43Å; K130-E132 WeakPolarHBondContact CD-OE2 3.49Å; K130-E132 VanDerWaalsContact CE-OE2 3.28Å; K130-E132 WeakPolarHBondContact CE-OE2 3.29Å; K130-E132 IonicContact NZ-OE2 2.64Å; K130-E132 PolarHBondContact NZ-OE2 3.45Å; K130-E132 PolarHBondContact O-N 2.72Å; K130-A133 VanDerWaalsContact O-CB 3.22Å; K130-A133 WeakPolarHBondContact O-CB 3.47Å; K130-A133 PolarHBondContact O-N 2.86Å
131	T	43.3	Very low	45.8	Very low	134 Å²	134	114.4 Å²	114.4	82%	0.822	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-21.6	166.3	22.2	0	0	0	0	113.6	A133	T131-A133 PolarHBondContact O-N 3.19Å
132	E	46.5	Very low	45.4	Very low	102 Å²	102	118 Å²	118	48%	0.477	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.2	-28.9	171.6	-59.1	179.6	131.8	0	0	112.9	K130 V134 I135 L136	K130-E132 HydrophobicContact CB-CB 4.43Å; K130-E132 WeakPolarHBondContact CD-OE2 3.49Å; K130-E132 VanDerWaalsContact CE-OE2 3.28Å; K130-E132 WeakPolarHBondContact CE-OE2 3.29Å; K130-E132 IonicContact NZ-OE2 2.64Å; K130-E132 PolarHBondContact NZ-OE2 3.45Å; K130-E132 PolarHBondContact O-N 2.72Å; E132-V134 PolarHBondContact O-N 3.05Å; E132-I135 PolarHBondContact O-N 2.9Å; E132-I135 VanDerWaalsContact O-N 3.16Å; E132-L136 HydrophobicContact CB-CD1 4.47Å; E132-L136 PolarHBondContact O-N 3.32Å; E132-L136 VanDerWaalsContact O-N 3.15Å
133	A	38.7	Very low	45.6	Very low	33 Å²	33	118.9 Å²	118.9	27%	0.273	59%	0.588	S	S	.	*	H	α-helix	trans	-59.6	-45.3	-173	0	0	0	0	0	111.8	K130 T131 I135 L136 E137	K130-A133 VanDerWaalsContact O-CB 3.22Å; K130-A133 WeakPolarHBondContact O-CB 3.47Å; K130-A133 PolarHBondContact O-N 2.86Å; T131-A133 PolarHBondContact O-N 3.19Å; A133-I135 PolarHBondContact O-N 2.91Å; A133-L136 CarbonylContact O-C 3.49Å; A133-L136 WeakPolarHBondContact O-CA 3.29Å; A133-L136 PolarHBondContact O-N 3.28Å; A133-E137 WeakPolarHBondContact O-CA 3.14Å; A133-E137 VanDerWaalsContact O-CB 3.26Å; A133-E137 WeakPolarHBondContact O-CB 3.29Å; A133-E137 PolarHBondContact O-N 3.09Å
134	V	45.2	Very low	46.5	Very low	87 Å²	87	122.8 Å²	122.8	53%	0.527	59%	0.591	S	S	.	*	H	α-helix	trans	-62.5	-27.8	-178.8	-178.8	0	0	0	0	112.6	E132	E132-V134 PolarHBondContact O-N 3.05Å
135	I	49.7	Very low	47.7	Very low	134 Å²	134	121.3 Å²	121.3	69%	0.687	59%	0.588	S	S	*	*	H	α-helix	trans	-78.9	-36.7	176.3	-58.8	177.6	0	0	0	110.4	E132 A133	E132-I135 PolarHBondContact O-N 2.9Å; E132-I135 VanDerWaalsContact O-N 3.16Å; A133-I135 PolarHBondContact O-N 2.91Å
136	L	44.8	Very low	49.1	Very low	142 Å²	142	114 Å²	114	74%	0.743	57%	0.568	S	S	*	*	H	α-helix	trans	-82.2	-12.1	177.3	-66.9	168.5	0	0	0	113.8	E132 A133 G138	E132-L136 HydrophobicContact CB-CD1 4.47Å; E132-L136 PolarHBondContact O-N 3.32Å; E132-L136 VanDerWaalsContact O-N 3.15Å; A133-L136 CarbonylContact O-C 3.49Å; A133-L136 WeakPolarHBondContact O-CA 3.29Å; A133-L136 PolarHBondContact O-N 3.28Å; L136-G138 PolarHBondContact O-N 2.91Å
137	E	45.9	Very low	50.7	Low	80 Å²	80	109.3 Å²	109.3	37%	0.374	55%	0.55	S	S	.	.	S	Bend	trans	-70.2	27.6	-167.2	-137.9	-171.7	-99.4	0	0	116.4	A133 K139	A133-E137 WeakPolarHBondContact O-CA 3.14Å; A133-E137 VanDerWaalsContact O-CB 3.26Å; A133-E137 WeakPolarHBondContact O-CB 3.29Å; A133-E137 PolarHBondContact O-N 3.09Å; E137-K139 WeakPolarHBondContact O-CG 3.41Å; E137-K139 PolarHBondContact O-N 3.39Å; E137-K139 WeakPolarHBondContact OE2-CE 3.3Å; E137-K139 IonicContact OE2-NZ 3.78Å; E137-K139 PolarHBondContact OE2-NZ 3.29Å
138	G	41.4	Very low	52.3	Low	38 Å²	38	106.3 Å²	106.3	39%	0.392	53%	0.533	S	S	.	.	S	Bend	trans	70.3	9.4	168.1	0	0	0	0	0	115.7	L136 W141	L136-G138 PolarHBondContact O-N 2.91Å; G138-W141 VanDerWaalsContact CA-CD1 3.47Å; G138-W141 VanDerWaalsContact CA-NE1 3.3Å; G138-W141 VanDerWaalsContact O-CD1 3.3Å; G138-W141 PolarHBondContact O-NE1 2.78Å
139	K	52.4	Low	53.7	Low	131 Å²	131	109.3 Å²	109.3	57%	0.57	54%	0.539	S	S	*	.	S	Bend	trans	-110.7	-17.2	-174.8	-69.2	159	-170.1	168.6	0	114.7	E137 R143	E137-K139 WeakPolarHBondContact O-CG 3.41Å; E137-K139 PolarHBondContact O-N 3.39Å; E137-K139 WeakPolarHBondContact OE2-CE 3.3Å; E137-K139 IonicContact OE2-NZ 3.78Å; E137-K139 PolarHBondContact OE2-NZ 3.29Å; K139-R143 PolarHBondContact O-NH1 2.79Å; K139-R143 VanDerWaalsContact O-NH1 3.13Å
140	Y	49.6	Very low	55.4	Low	105 Å²	105	112 Å²	112	41%	0.412	54%	0.539	S	S	.	.	S	Bend	trans	-100.9	-28	-179.9	-75	-88.9	0	0	0	114.8	K142 R143 L148	Y140-K142 PolarHBondContact O-N 2.81Å; Y140-K142 VanDerWaalsContact O-N 3.13Å; Y140-R143 WeakPolarHBondContact O-CB 3.37Å; Y140-R143 PolarHBondContact O-N 2.99Å; Y140-L148 HydrophobicContact CD1-CD2 3.98Å
141	W	45.8	Very low	56.9	Low	188 Å²	188	109.4 Å²	109.4	71%	0.712	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22	178.1	67	-78	0	0	0	114.7	G138 R143	G138-W141 VanDerWaalsContact CA-CD1 3.47Å; G138-W141 VanDerWaalsContact CA-NE1 3.3Å; G138-W141 VanDerWaalsContact O-CD1 3.3Å; G138-W141 PolarHBondContact O-NE1 2.78Å; W141-R143 VanDerWaalsContact C-N 3.3Å
142	K	48.3	Very low	58.3	Low	164 Å²	164	109.8 Å²	109.8	71%	0.713	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-4.4	173.8	-67	-173.3	176.8	-179.2	0	114	Y140	Y140-K142 PolarHBondContact O-N 2.81Å; Y140-K142 VanDerWaalsContact O-N 3.13Å
143	R	61.3	Low	59.6	Low	104 Å²	104	108.2 Å²	108.2	39%	0.392	52%	0.516	S	S	.	.	S	Bend	trans	-91.7	138.3	174.6	-68	-179.7	165.7	93.8	-7.2	110.2	K139 Y140 W141 L148	K139-R143 PolarHBondContact O-NH1 2.79Å; K139-R143 VanDerWaalsContact O-NH1 3.13Å; Y140-R143 WeakPolarHBondContact O-CB 3.37Å; Y140-R143 PolarHBondContact O-N 2.99Å; W141-R143 VanDerWaalsContact C-N 3.3Å; R143-L148 HydrophobicContact CB-CD2 4.23Å; R143-L148 HydrophobicContact CB-CG 4.34Å
144	R	73	Confident	61.5	Low	174 Å²	174	112.5 Å²	112.5	66%	0.657	53%	0.534	S	S	*	.			trans	-61.1	137.8	172.2	-71.8	-169	-84.8	102.7	-12.2	110.4	S146 T147 L148	R144-S146 PolarHBondContact NH1-OG 3.4Å; R144-S146 PolarHBondContact O-N 2.89Å; R144-S146 VanDerWaalsContact O-N 3.13Å; R144-T147 WeakPolarHBondContact O-CA 3.24Å; R144-T147 VanDerWaalsContact O-CB 3.3Å; R144-T147 WeakPolarHBondContact O-CB 3.28Å; R144-T147 PolarHBondContact O-N 3.26Å; R144-L148 PolarHBondContact O-N 2.99Å
145	V	73.5	Confident	62.6	Low	103 Å²	103	116.8 Å²	116.8	62%	0.624	54%	0.541	S	S	*	.	H	α-helix	trans	-54.9	-33.3	176.1	180	0	0	0	0	112	T147 L148 R149	V145-T147 VanDerWaalsContact C-N 3.29Å; V145-T147 PolarHBondContact O-N 3.17Å; V145-L148 PolarHBondContact O-N 3.01Å; V145-R149 WeakPolarHBondContact O-CB 3.32Å; V145-R149 PolarHBondContact O-N 2.87Å
146	S	71.1	Confident	63.6	Low	60 Å²	60	118.1 Å²	118.1	42%	0.42	54%	0.537	S	S	.	.	H	α-helix	trans	-66.8	-24.1	174.4	49.6	0	0	0	0	114.4	R144 K150	R144-S146 PolarHBondContact NH1-OG 3.4Å; R144-S146 PolarHBondContact O-N 2.89Å; R144-S146 VanDerWaalsContact O-N 3.13Å; S146-K150 WeakPolarHBondContact O-CG 3.18Å; S146-K150 PolarHBondContact O-N 3.37Å
147	T	73	Confident	64.9	Low	46 Å²	46	114.8 Å²	114.8	28%	0.282	52%	0.523	S	S	.	.	H	α-helix	trans	-76.1	-49.6	170.6	-54.2	0	0	0	0	110.3	R144 V145 R149 K150 E151	R144-T147 WeakPolarHBondContact O-CA 3.24Å; R144-T147 VanDerWaalsContact O-CB 3.3Å; R144-T147 WeakPolarHBondContact O-CB 3.28Å; R144-T147 PolarHBondContact O-N 3.26Å; V145-T147 VanDerWaalsContact C-N 3.29Å; V145-T147 PolarHBondContact O-N 3.17Å; T147-R149 VanDerWaalsContact C-N 3.29Å; T147-R149 PolarHBondContact O-N 3.29Å; T147-K150 WeakPolarHBondContact O-CA 3.48Å; T147-K150 WeakPolarHBondContact O-CB 3.44Å; T147-K150 PolarHBondContact O-N 2.69Å; T147-E151 HydrophobicContact CG2-CG 4.45Å; T147-E151 WeakPolarHBondContact CG2-OE1 3.45Å; T147-E151 PolarHBondContact O-N 3.31Å
148	L	68.8	Low	66	Low	61 Å²	61	116.5 Å²	116.5	32%	0.319	53%	0.529	S	S	.	.	H	α-helix	trans	-57.3	-41.4	178.1	-61.7	173.9	0	0	0	112	Y140 R143 R144 V145 K150 E151 Y152	Y140-L148 HydrophobicContact CD1-CD2 3.98Å; R143-L148 HydrophobicContact CB-CD2 4.23Å; R143-L148 HydrophobicContact CB-CG 4.34Å; R144-L148 PolarHBondContact O-N 2.99Å; V145-L148 PolarHBondContact O-N 3.01Å; L148-K150 VanDerWaalsContact C-N 3.35Å; L148-K150 PolarHBondContact O-N 2.91Å; L148-E151 PolarHBondContact O-N 3.17Å; L148-Y152 VanDerWaalsContact O-CB 3.32Å; L148-Y152 WeakPolarHBondContact O-CB 3.43Å; L148-Y152 PolarHBondContact O-N 3.49Å
149	R	74.2	Confident	67	Low	186 Å²	186	117 Å²	117	70%	0.702	53%	0.529	S	S	*	.	H	α-helix	trans	-64	-36.1	175.3	-171.9	179.4	-69.1	159.4	-2.3	112.7	V145 T147 S153	V145-R149 WeakPolarHBondContact O-CB 3.32Å; V145-R149 PolarHBondContact O-N 2.87Å; T147-R149 VanDerWaalsContact C-N 3.29Å; T147-R149 PolarHBondContact O-N 3.29Å; R149-S153 WeakPolarHBondContact O-CB 3.07Å; R149-S153 PolarHBondContact O-N 2.59Å; R149-S153 VanDerWaalsContact O-N 3.09Å
150	K	77.4	Confident	67.8	Low	154 Å²	154	116.7 Å²	116.7	67%	0.67	53%	0.528	S	S	*	.	H	α-helix	trans	-71.7	-45.4	175.6	-78.9	-175.7	176.4	-168.2	0	111.8	S146 T147 L148 S153 L154	S146-K150 WeakPolarHBondContact O-CG 3.18Å; S146-K150 PolarHBondContact O-N 3.37Å; T147-K150 WeakPolarHBondContact O-CA 3.48Å; T147-K150 WeakPolarHBondContact O-CB 3.44Å; T147-K150 PolarHBondContact O-N 2.69Å; L148-K150 VanDerWaalsContact C-N 3.35Å; L148-K150 PolarHBondContact O-N 2.91Å; K150-S153 PolarHBondContact O-N 2.97Å; K150-L154 WeakPolarHBondContact O-CG 3.22Å; K150-L154 PolarHBondContact O-N 2.97Å
151	E	71.6	Confident	68.7	Low	72 Å²	72	116.5 Å²	116.5	34%	0.336	53%	0.534	S	S	.	.	H	α-helix	trans	-58.3	-51.8	174.9	-72	171.4	-174.8	0	0	110.5	T147 L148 S153 L154 W155	T147-E151 HydrophobicContact CG2-CG 4.45Å; T147-E151 WeakPolarHBondContact CG2-OE1 3.45Å; T147-E151 PolarHBondContact O-N 3.31Å; L148-E151 PolarHBondContact O-N 3.17Å; E151-S153 VanDerWaalsContact C-N 3.32Å; E151-S153 PolarHBondContact O-N 2.96Å; E151-L154 WeakPolarHBondContact O-CB 3.27Å; E151-L154 PolarHBondContact O-N 3.19Å; E151-L154 VanDerWaalsContact O-N 3.12Å; E151-W155 PolarHBondContact O-N 3.01Å
152	Y	71.8	Confident	69.6	Low	142 Å²	142	115.6 Å²	115.6	56%	0.557	53%	0.53	S	S	*	.	H	α-helix	trans	-59.4	-39.7	178	-174.9	-103.3	0	0	0	112.9	L148 W155 R156	L148-Y152 VanDerWaalsContact O-CB 3.32Å; L148-Y152 WeakPolarHBondContact O-CB 3.43Å; L148-Y152 PolarHBondContact O-N 3.49Å; Y152-W155 PolarHBondContact O-N 3Å; Y152-R156 HydrophobicContact CD1-CG 4.08Å; Y152-R156 HydrophobicContact CE1-CG 3.79Å; Y152-R156 HydrophobicContact CE2-CG 4.36Å; Y152-R156 WeakPolarHBondContact O-CG 3.48Å; Y152-R156 PolarHBondContact O-N 3.43Å; Y152-R156 PolarHBondContact OH-NH1 2.84Å
153	S	74.3	Confident	70.2	Confident	68 Å²	68	111.5 Å²	111.5	48%	0.476	52%	0.515	S	S	.	.	H	α-helix	trans	-61.5	-46.5	173.9	-171.6	0	0	0	0	111.9	R149 K150 E151 W155 R156 V157	R149-S153 WeakPolarHBondContact O-CB 3.07Å; R149-S153 PolarHBondContact O-N 2.59Å; R149-S153 VanDerWaalsContact O-N 3.09Å; K150-S153 PolarHBondContact O-N 2.97Å; E151-S153 VanDerWaalsContact C-N 3.32Å; E151-S153 PolarHBondContact O-N 2.96Å; S153-W155 PolarHBondContact O-N 2.73Å; S153-R156 PolarHBondContact O-N 2.73Å; S153-V157 WeakPolarHBondContact O-CG2 3.46Å; S153-V157 PolarHBondContact O-N 2.66Å
154	L	78.5	Confident	69.8	Low	123 Å²	123	111.6 Å²	111.6	64%	0.644	52%	0.516	S	S	*	.	H	α-helix	trans	-61.2	-42.3	175.7	-73.1	164.3	0	0	0	112.1	K150 E151 V157 F158	K150-L154 WeakPolarHBondContact O-CG 3.22Å; K150-L154 PolarHBondContact O-N 2.97Å; E151-L154 WeakPolarHBondContact O-CB 3.27Å; E151-L154 PolarHBondContact O-N 3.19Å; E151-L154 VanDerWaalsContact O-N 3.12Å; L154-V157 PolarHBondContact O-N 3.18Å; L154-F158 VanDerWaalsContact O-CB 3.26Å; L154-F158 WeakPolarHBondContact O-CB 3.43Å; L154-F158 PolarHBondContact O-N 3.38Å
155	W	67.2	Low	69	Low	178 Å²	178	106 Å²	106	67%	0.674	50%	0.502	S	S	*	.	H	α-helix	trans	-61.2	-44.1	174.2	-82.9	103.5	0	0	0	112.4	E151 Y152 S153 F158 A159	E151-W155 PolarHBondContact O-N 3.01Å; Y152-W155 PolarHBondContact O-N 3Å; S153-W155 PolarHBondContact O-N 2.73Å; W155-F158 PolarHBondContact O-N 2.88Å; W155-A159 WeakPolarHBondContact O-CB 3.34Å; W155-A159 PolarHBondContact O-N 2.74Å
156	R	72.7	Confident	68	Low	162 Å²	162	105.6 Å²	105.6	61%	0.611	50%	0.503	S	S	*	.	H	α-helix	trans	-65.1	-39.6	177.6	-66.7	-80.3	-75.7	-147.8	4.9	111.8	Y152 S153 K160	Y152-R156 HydrophobicContact CD1-CG 4.08Å; Y152-R156 HydrophobicContact CE1-CG 3.79Å; Y152-R156 HydrophobicContact CE2-CG 4.36Å; Y152-R156 WeakPolarHBondContact O-CG 3.48Å; Y152-R156 PolarHBondContact O-N 3.43Å; Y152-R156 PolarHBondContact OH-NH1 2.84Å; S153-R156 PolarHBondContact O-N 2.73Å; R156-K160 WeakPolarHBondContact O-CB 3.46Å; R156-K160 PolarHBondContact O-N 3.45Å
157	V	70.9	Confident	67	Low	72 Å²	72	109.8 Å²	109.8	44%	0.436	52%	0.516	S	S	.	.	H	α-helix	trans	-69.9	-42.3	175.5	172.6	0	0	0	0	111.6	S153 L154 K160 N161	S153-V157 WeakPolarHBondContact O-CG2 3.46Å; S153-V157 PolarHBondContact O-N 2.66Å; L154-V157 PolarHBondContact O-N 3.18Å; V157-K160 PolarHBondContact O-N 3.44Å; V157-N161 WeakPolarHBondContact O-CB 3.49Å; V157-N161 VanDerWaalsContact O-CG 3.24Å; V157-N161 PolarHBondContact O-N 3.49Å; V157-N161 PolarHBondContact O-OD1 3.15Å
158	F	69.1	Low	66	Low	115 Å²	115	110 Å²	110	50%	0.504	52%	0.516	S	S	.	.	H	α-helix	trans	-62.4	-47.1	176.4	174.1	-103.9	0	0	0	111.9	L154 W155 K160 N161 R162	L154-F158 VanDerWaalsContact O-CB 3.26Å; L154-F158 WeakPolarHBondContact O-CB 3.43Å; L154-F158 PolarHBondContact O-N 3.38Å; W155-F158 PolarHBondContact O-N 2.88Å; F158-K160 PolarHBondContact O-N 3.2Å; F158-N161 PolarHBondContact O-N 2.95Å; F158-R162 WeakPolarHBondContact O-CB 3.5Å; F158-R162 PolarHBondContact O-N 3.45Å
159	A	62.1	Low	65.2	Low	48 Å²	48	114.5 Å²	114.5	40%	0.397	53%	0.529	S	S	.	.	H	α-helix	trans	-59.4	-45.7	175.5	0	0	0	0	0	111.5	W155 R162 I163	W155-A159 WeakPolarHBondContact O-CB 3.34Å; W155-A159 PolarHBondContact O-N 2.74Å; A159-R162 PolarHBondContact O-N 3.45Å; A159-I163 WeakPolarHBondContact O-CG1 3.41Å; A159-I163 PolarHBondContact O-N 3.02Å
160	K	68.9	Low	64.2	Low	126 Å²	126	112.2 Å²	112.2	55%	0.548	53%	0.526	S	S	.	.	H	α-helix	trans	-58.3	-50.5	174.5	-174.8	172.7	-178.2	179.8	0	111.5	R156 V157 F158 R162 I163 Y164	R156-K160 WeakPolarHBondContact O-CB 3.46Å; R156-K160 PolarHBondContact O-N 3.45Å; V157-K160 PolarHBondContact O-N 3.44Å; F158-K160 PolarHBondContact O-N 3.2Å; K160-R162 VanDerWaalsContact C-N 3.29Å; K160-R162 PolarHBondContact O-N 2.71Å; K160-I163 PolarHBondContact O-N 3.41Å; K160-I163 VanDerWaalsContact O-N 3.1Å; K160-Y164 HydrophobicContact CD-CE2 4.34Å; K160-Y164 HydrophobicContact CG-CD2 3.65Å; K160-Y164 HydrophobicContact CG-CE2 3.73Å; K160-Y164 VanDerWaalsContact O-CD2 3.26Å; K160-Y164 WeakPolarHBondContact O-CD2 3.23Å; K160-Y164 PolarHBondContact O-N 2.88Å
161	N	68.2	Low	63.1	Low	100 Å²	100	109.6 Å²	109.6	54%	0.535	52%	0.518	S	S	.	.	H	α-helix	trans	-66.4	-30.1	-178	-70.1	-2.4	0	0	0	112.9	V157 F158 I163 Y164 T165	V157-N161 WeakPolarHBondContact O-CB 3.49Å; V157-N161 VanDerWaalsContact O-CG 3.24Å; V157-N161 PolarHBondContact O-N 3.49Å; V157-N161 PolarHBondContact O-OD1 3.15Å; F158-N161 PolarHBondContact O-N 2.95Å; N161-I163 VanDerWaalsContact C-N 3.31Å; N161-Y164 CarbonylContact O-C 3.55Å; N161-Y164 PolarHBondContact O-N 3.49Å; N161-T165 PolarHBondContact O-N 2.98Å
162	R	66.4	Low	62.4	Low	170 Å²	170	108.8 Å²	108.8	64%	0.642	52%	0.516	S	S	*	.	H	α-helix	trans	-69.9	-26.7	173.7	-173.8	173.8	176.5	176.9	-1.3	112.9	F158 A159 K160 N168	F158-R162 WeakPolarHBondContact O-CB 3.5Å; F158-R162 PolarHBondContact O-N 3.45Å; A159-R162 PolarHBondContact O-N 3.45Å; K160-R162 VanDerWaalsContact C-N 3.29Å; K160-R162 PolarHBondContact O-N 2.71Å; R162-N168 PolarHBondContact O-ND2 3.15Å
163	I	59.7	Low	61.4	Low	77 Å²	77	107.6 Å²	107.6	40%	0.395	52%	0.515	S	S	.	.	H	α-helix	trans	-78.6	-41.6	171.5	-64.3	163.4	0	0	0	110.4	A159 K160 N161 T165 N168 I172	A159-I163 WeakPolarHBondContact O-CG1 3.41Å; A159-I163 PolarHBondContact O-N 3.02Å; K160-I163 PolarHBondContact O-N 3.41Å; K160-I163 VanDerWaalsContact O-N 3.1Å; N161-I163 VanDerWaalsContact C-N 3.31Å; I163-T165 PolarHBondContact O-N 3.04Å; I163-N168 WeakPolarHBondContact O-CB 3.46Å; I163-N168 PolarHBondContact O-ND2 3.16Å; I163-I172 HydrophobicContact CG2-CD1 4.03Å
164	Y	53	Low	60	Low	106 Å²	106	107.6 Å²	107.6	42%	0.416	51%	0.514	S	S	.	.	S	Bend	trans	-91.3	26	-177.5	-66.7	-72	0	0	0	115.7	K160 N161 R169	K160-Y164 HydrophobicContact CD-CE2 4.34Å; K160-Y164 HydrophobicContact CG-CD2 3.65Å; K160-Y164 HydrophobicContact CG-CE2 3.73Å; K160-Y164 VanDerWaalsContact O-CD2 3.26Å; K160-Y164 WeakPolarHBondContact O-CD2 3.23Å; K160-Y164 PolarHBondContact O-N 2.88Å; N161-Y164 CarbonylContact O-C 3.55Å; N161-Y164 PolarHBondContact O-N 3.49Å; Y164-R169 PolarHBondContact O-NE 2.81Å
165	T	56.1	Low	58.5	Low	57 Å²	57	103.5 Å²	103.5	35%	0.35	50%	0.498	S	S	.	.			trans	-60	152.2	169	48.4	0	0	0	0	110.7	N161 I163 Q167 N168 R169	N161-T165 PolarHBondContact O-N 2.98Å; I163-T165 PolarHBondContact O-N 3.04Å; T165-Q167 VanDerWaalsContact C-N 3.33Å; T165-Q167 PolarHBondContact O-N 2.77Å; T165-N168 PolarHBondContact O-N 3.03Å; T165-N168 WeakPolarHBondContact OG1-CB 3.28Å; T165-N168 PolarHBondContact OG1-ND2 3.03Å; T165-N168 VanDerWaalsContact OG1-ND2 3.12Å; T165-R169 WeakPolarHBondContact O-CG 3.31Å; T165-R169 PolarHBondContact O-N 2.85Å
166	S	52.2	Low	57.7	Low	94 Å²	94	98.7 Å²	98.7	66%	0.657	49%	0.486	S	S	*	.	H	α-helix	trans	-52.9	-46.6	-176	40	0	0	0	0	113.2	N168 R169	S166-N168 VanDerWaalsContact C-N 3.32Å; S166-N168 PolarHBondContact O-N 3.21Å; S166-R169 PolarHBondContact O-N 2.69Å
167	Q	49.9	Very low	56.7	Low	148 Å²	148	96.5 Å²	96.5	69%	0.692	48%	0.482	S	S	*	.	H	α-helix	trans	-61	-35.2	176.5	-69.3	171.7	-36.8	0	0	113.3	T165	T165-Q167 VanDerWaalsContact C-N 3.33Å; T165-Q167 PolarHBondContact O-N 2.77Å
168	N	52.9	Low	55.7	Low	50 Å²	50	100 Å²	100	27%	0.267	50%	0.498	S	S	.	.	H	α-helix	trans	-79.8	-25.7	178.3	-76.2	-17.3	0	0	0	112.8	R162 I163 T165 S166 Q170 I171 I172	R162-N168 PolarHBondContact O-ND2 3.15Å; I163-N168 WeakPolarHBondContact O-CB 3.46Å; I163-N168 PolarHBondContact O-ND2 3.16Å; T165-N168 PolarHBondContact O-N 3.03Å; T165-N168 WeakPolarHBondContact OG1-CB 3.28Å; T165-N168 PolarHBondContact OG1-ND2 3.03Å; T165-N168 VanDerWaalsContact OG1-ND2 3.12Å; S166-N168 VanDerWaalsContact C-N 3.32Å; S166-N168 PolarHBondContact O-N 3.21Å; N168-Q170 PolarHBondContact O-N 2.77Å; N168-I171 PolarHBondContact O-N 3.37Å; N168-I172 HydrophobicContact CB-CD1 4.35Å; N168-I172 WeakPolarHBondContact O-CB 3.42Å; N168-I172 WeakPolarHBondContact O-CD1 3.46Å; N168-I172 WeakPolarHBondContact O-CG1 3.26Å; N168-I172 PolarHBondContact O-N 2.78Å
169	R	53.1	Low	54.9	Low	157 Å²	157	100.5 Å²	100.5	59%	0.592	51%	0.505	S	S	*	.	H	α-helix	trans	-62.6	-42.7	-179.3	-72.2	-174.4	-170.4	-156.5	3.6	112.5	Y164 T165 S166 I172 Q173	Y164-R169 PolarHBondContact O-NE 2.81Å; T165-R169 WeakPolarHBondContact O-CG 3.31Å; T165-R169 PolarHBondContact O-N 2.85Å; S166-R169 PolarHBondContact O-N 2.69Å; R169-I172 PolarHBondContact O-N 3.29Å; R169-Q173 WeakPolarHBondContact O-CB 3.37Å; R169-Q173 PolarHBondContact O-N 3.04Å
170	Q	53	Low	54	Low	138 Å²	138	105.5 Å²	105.5	65%	0.645	52%	0.52	S	S	*	.	H	α-helix	trans	-62.4	-44.7	177.9	-69.1	162.1	-51.9	0	0	110.5	N168 Q173 C174	N168-Q170 PolarHBondContact O-N 2.77Å; Q170-Q173 PolarHBondContact O-N 2.85Å; Q170-C174 PolarHBondContact O-N 3.4Å; Q170-C174 PolarHBondContact O-SG 2.93Å; Q170-C174 VanDerWaalsContact O-SG 3.39Å
171	I	52.8	Low	52.7	Low	99 Å²	99	103.1 Å²	103.1	51%	0.508	53%	0.531	S	S	.	.	H	α-helix	trans	-65.5	-40.6	177.7	-57.8	170.3	0	0	0	111.7	N168 Q173 A175	N168-I171 PolarHBondContact O-N 3.37Å; I171-Q173 VanDerWaalsContact C-N 3.32Å; I171-A175 VanDerWaalsContact O-CB 3.24Å; I171-A175 WeakPolarHBondContact O-CB 3.39Å; I171-A175 PolarHBondContact O-N 3.19Å
172	I	58	Low	51.3	Low	55 Å²	55	102.2 Å²	102.2	28%	0.282	53%	0.533	S	S	.	.	H	α-helix	trans	-65.4	-36.1	175.3	-70.1	163.6	0	0	0	111.1	I163 N168 R169 A175 N176	I163-I172 HydrophobicContact CG2-CD1 4.03Å; N168-I172 HydrophobicContact CB-CD1 4.35Å; N168-I172 WeakPolarHBondContact O-CB 3.42Å; N168-I172 WeakPolarHBondContact O-CD1 3.46Å; N168-I172 WeakPolarHBondContact O-CG1 3.26Å; N168-I172 PolarHBondContact O-N 2.78Å; R169-I172 PolarHBondContact O-N 3.29Å; I172-A175 PolarHBondContact O-N 3.5Å; I172-N176 PolarHBondContact O-N 3.28Å; I172-N176 PolarHBondContact O-OD1 2.75Å
173	Q	51.3	Low	49.7	Very low	117 Å²	117	102.2 Å²	102.2	55%	0.547	55%	0.545	S	S	.	.	H	α-helix	trans	-66.1	-51.1	177.2	-178.1	169.7	-17.3	0	0	111.2	R169 Q170 I171 A175 N176 E177	R169-Q173 WeakPolarHBondContact O-CB 3.37Å; R169-Q173 PolarHBondContact O-N 3.04Å; Q170-Q173 PolarHBondContact O-N 2.85Å; I171-Q173 VanDerWaalsContact C-N 3.32Å; Q173-A175 VanDerWaalsContact C-N 3.26Å; Q173-A175 PolarHBondContact O-N 3.33Å; Q173-N176 PolarHBondContact O-N 3.39Å; Q173-N176 VanDerWaalsContact O-N 3.1Å; Q173-E177 VanDerWaalsContact CG-OE1 3.28Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.49Å; Q173-E177 PolarHBondContact NE2-OE1 2.9Å; Q173-E177 VanDerWaalsContact NE2-OE1 3.1Å; Q173-E177 WeakPolarHBondContact O-CG 3.47Å; Q173-E177 PolarHBondContact O-N 3.21Å
174	C	43.4	Very low	48.6	Very low	67 Å²	67	105.1 Å²	105.1	45%	0.453	56%	0.561	S	S	.	*	H	α-helix	trans	-61.3	-34	174.6	-58.8	0	0	0	0	112.6	Q170 L178	Q170-C174 PolarHBondContact O-N 3.4Å; Q170-C174 PolarHBondContact O-SG 2.93Å; Q170-C174 VanDerWaalsContact O-SG 3.39Å; C174-L178 WeakPolarHBondContact O-CB 3.32Å; C174-L178 WeakPolarHBondContact O-CG 3.42Å; C174-L178 PolarHBondContact O-N 2.98Å
175	A	47.2	Very low	47.5	Very low	37 Å²	37	104.5 Å²	104.5	31%	0.306	57%	0.571	S	S	.	*	H	α-helix	trans	-68.4	-32.7	175.5	0	0	0	0	0	113.1	I171 I172 Q173 L179	I171-A175 VanDerWaalsContact O-CB 3.24Å; I171-A175 WeakPolarHBondContact O-CB 3.39Å; I171-A175 PolarHBondContact O-N 3.19Å; I172-A175 PolarHBondContact O-N 3.5Å; Q173-A175 VanDerWaalsContact C-N 3.26Å; Q173-A175 PolarHBondContact O-N 3.33Å; A175-L179 WeakPolarHBondContact O-CB 3.26Å; A175-L179 PolarHBondContact O-N 3.27Å
176	N	50.6	Low	46.4	Very low	78 Å²	78	107.8 Å²	107.8	42%	0.417	59%	0.593	S	S	.	*	H	α-helix	trans	-73.6	-44.4	172.8	-72.9	-3	0	0	0	111.2	I172 Q173 L178 L179 E180	I172-N176 PolarHBondContact O-N 3.28Å; I172-N176 PolarHBondContact O-OD1 2.75Å; Q173-N176 PolarHBondContact O-N 3.39Å; Q173-N176 VanDerWaalsContact O-N 3.1Å; N176-L178 PolarHBondContact O-N 3.4Å; N176-L179 PolarHBondContact O-N 3.35Å; N176-E180 WeakPolarHBondContact O-CG 3.38Å; N176-E180 PolarHBondContact O-N 3.09Å
177	E	52.6	Low	45.6	Very low	116 Å²	116	113.5 Å²	113.5	54%	0.542	60%	0.602	S	S	.	*	H	α-helix	trans	-56.8	-32.4	175.7	-70.9	162.5	-178.9	0	0	111.7	Q173	Q173-E177 VanDerWaalsContact CG-OE1 3.28Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.49Å; Q173-E177 PolarHBondContact NE2-OE1 2.9Å; Q173-E177 VanDerWaalsContact NE2-OE1 3.1Å; Q173-E177 WeakPolarHBondContact O-CG 3.47Å; Q173-E177 PolarHBondContact O-N 3.21Å
178	L	48.9	Very low	44.8	Very low	145 Å²	145	112 Å²	112	76%	0.759	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-14.1	173.1	-74.8	169.1	0	0	0	115.3	C174 N176	C174-L178 WeakPolarHBondContact O-CB 3.32Å; C174-L178 WeakPolarHBondContact O-CG 3.42Å; C174-L178 PolarHBondContact O-N 2.98Å; N176-L178 PolarHBondContact O-N 3.4Å
179	L	51.7	Low	43.6	Very low	125 Å²	125	117.4 Å²	117.4	65%	0.654	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	-33.7	-176.4	-136.6	74.4	0	0	0	113.1	A175 N176 G181 S182	A175-L179 WeakPolarHBondContact O-CB 3.26Å; A175-L179 PolarHBondContact O-N 3.27Å; N176-L179 PolarHBondContact O-N 3.35Å; L179-G181 PolarHBondContact O-N 3.16Å; L179-S182 PolarHBondContact O-N 2.97Å; L179-S182 PolarHBondContact O-OG 2.93Å
180	E	44.5	Very low	42.7	Very low	154 Å²	154	114.1 Å²	114.1	72%	0.72	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-14.3	179.1	-71.5	175	-166.8	0	0	112.7	N176 S182	N176-E180 WeakPolarHBondContact O-CG 3.38Å; N176-E180 PolarHBondContact O-N 3.09Å; E180-S182 PolarHBondContact O-N 3.36Å
181	G	41.5	Very low	41.8	Very low	76 Å²	76	111.4 Å²	111.4	78%	0.784	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	9.5	171.8	0	0	0	0	0	116.2	L179	L179-G181 PolarHBondContact O-N 3.16Å
182	S	37.6	Very low	40.9	Very low	80 Å²	80	111.1 Å²	111.1	56%	0.559	61%	0.606	S	S	*	*			trans	-144.9	81.3	-176.6	58.8	0	0	0	0	115.8	L179 E180 L184	L179-S182 PolarHBondContact O-N 2.97Å; L179-S182 PolarHBondContact O-OG 2.93Å; E180-S182 PolarHBondContact O-N 3.36Å; S182-L184 PolarHBondContact O-N 3.03Å
183	D	34.5	Very low	40.1	Very low	170 Å²	170	112.2 Å²	112.2	91%	0.909	62%	0.619	S	S	*	*			trans	-65.8	93.2	161.3	-90	-39	0	0	0	110.9
184	L	36.6	Very low	39.6	Very low	139 Å²	139	111.5 Å²	111.5	73%	0.728	61%	0.614	S	S	*	*			trans	-156.4	151.8	167.3	-109.9	164.8	0	0	0	113.4	S182	S182-L184 PolarHBondContact O-N 3.03Å
185	C	29.7	Very low	39.3	Very low	92 Å²	92	111.1 Å²	111.1	62%	0.622	61%	0.612	S	S	*	*			trans	-81.3	159.3	-162.1	-73.2	0	0	0	0	115.4	Y187	C185-Y187 PolarHBondContact O-N 2.97Å
186	P	32.6	Very low	38.9	Very low	126 Å²	126	112.6 Å²	112.6	82%	0.818	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	13.7	-171	-23.9	35.7	0	0	0	118.8
187	Y	36.1	Very low	38.6	Very low	215 Å²	215	110.2 Å²	110.2	84%	0.843	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	-0.4	-171.6	-76.8	-78.9	0	0	0	115.2	C185	C185-Y187 PolarHBondContact O-N 2.97Å
188	Q	31.6	Very low	38.4	Very low	115 Å²	115	105.7 Å²	105.7	54%	0.537	59%	0.588	S	S	.	*			trans	-104.6	18.8	-176.4	-84.1	179	-30.6	0	0	115.7	S190 D191	Q188-S190 PolarHBondContact O-N 3.46Å; Q188-D191 PolarHBondContact O-N 2.64Å
189	F	29.1	Very low	38.4	Very low	164 Å²	164	105.4 Å²	105.4	72%	0.719	58%	0.581	S	S	*	*	H	α-helix	trans	-57.1	-23.5	-178.1	-163.6	-94.1	0	0	0	114.3	D191 L192	F189-D191 VanDerWaalsContact C-N 3.3Å; F189-D191 PolarHBondContact O-N 2.88Å; F189-L192 HydrophobicContact CD2-CD2 4.38Å; F189-L192 PolarHBondContact O-N 2.94Å
190	S	33.5	Very low	38.3	Very low	88 Å²	88	101.5 Å²	101.5	62%	0.615	56%	0.56	S	S	*	*	H	α-helix	trans	-63	-26.2	178.4	46.3	0	0	0	0	115.2	Q188	Q188-S190 PolarHBondContact O-N 3.46Å
191	D	34.5	Very low	38.7	Very low	82 Å²	82	95.3 Å²	95.3	44%	0.439	53%	0.532	S	S	.	.	H	α-helix	trans	-99.3	-24.9	178.3	-70.5	-70.8	0	0	0	112.4	Q188 F189 S193 K194	Q188-D191 PolarHBondContact O-N 2.64Å; F189-D191 VanDerWaalsContact C-N 3.3Å; F189-D191 PolarHBondContact O-N 2.88Å; D191-S193 PolarHBondContact O-N 2.71Å; D191-K194 WeakPolarHBondContact O-CB 3.11Å; D191-K194 PolarHBondContact O-N 3.13Å; D191-K194 IonicContact OD1-NZ 3.85Å; D191-K194 PolarHBondContact OD1-NZ 2.97Å
192	L	33	Very low	39.5	Very low	92 Å²	92	94.8 Å²	94.8	48%	0.482	51%	0.509	S	S	.	.	H	α-helix	trans	-59.6	-35.1	177	-160.5	67.1	0	0	0	111.9	F189 K194 S195 T196	F189-L192 HydrophobicContact CD2-CD2 4.38Å; F189-L192 PolarHBondContact O-N 2.94Å; L192-K194 PolarHBondContact O-N 3.44Å; L192-K194 VanDerWaalsContact O-N 3.15Å; L192-S195 PolarHBondContact O-N 3.24Å; L192-T196 WeakPolarHBondContact O-CB 3.33Å; L192-T196 PolarHBondContact O-N 3.15Å; L192-T196 PolarHBondContact O-OG1 3.02Å
193	S	41.2	Very low	40.3	Very low	79 Å²	79	96.2 Å²	96.2	55%	0.552	51%	0.507	S	S	*	.	H	α-helix	trans	-54.3	-31.5	173.8	-177.1	0	0	0	0	114.1	D191 S197	D191-S193 PolarHBondContact O-N 2.71Å; S193-S197 WeakPolarHBondContact O-CB 3.03Å
194	K	41.1	Very low	41.3	Very low	102 Å²	102	91 Å²	91	44%	0.443	48%	0.478	S	S	.	.	H	α-helix	trans	-77.7	-46.8	-179.9	-55.6	166.8	-172.2	167.6	0	110	D191 L192 S198	D191-K194 WeakPolarHBondContact O-CB 3.11Å; D191-K194 PolarHBondContact O-N 3.13Å; D191-K194 IonicContact OD1-NZ 3.85Å; D191-K194 PolarHBondContact OD1-NZ 2.97Å; L192-K194 PolarHBondContact O-N 3.44Å; L192-K194 VanDerWaalsContact O-N 3.15Å; K194-S198 PolarHBondContact O-N 3.35Å
195	S	36.2	Very low	42.5	Very low	58 Å²	58	84.6 Å²	84.6	41%	0.406	44%	0.444	S	S	.	.	H	α-helix	trans	-65.1	-52.1	179.6	179.8	0	0	0	0	112.4	L192 S197 S198 K199	L192-S195 PolarHBondContact O-N 3.24Å; S195-S197 PolarHBondContact O-N 3.26Å; S195-S198 WeakPolarHBondContact O-CB 3.42Å; S195-S198 PolarHBondContact O-N 2.9Å; S195-S198 VanDerWaalsContact O-N 3.11Å; S195-K199 PolarHBondContact O-N 3.32Å
196	T	39.5	Very low	44	Very low	68 Å²	68	84.8 Å²	84.8	42%	0.417	44%	0.438	S	S	.	.	H	α-helix	trans	-66.4	-36.7	-176.5	-55.3	0	0	0	0	112.6	L192 S198 L200	L192-T196 WeakPolarHBondContact O-CB 3.33Å; L192-T196 PolarHBondContact O-N 3.15Å; L192-T196 PolarHBondContact O-OG1 3.02Å; T196-S198 VanDerWaalsContact C-N 3.3Å; T196-S198 PolarHBondContact O-N 3.38Å; T196-L200 WeakPolarHBondContact O-CB 3.23Å; T196-L200 PolarHBondContact O-N 2.78Å
197	S	44.3	Very low	45	Very low	29 Å²	29	83.9 Å²	83.9	20%	0.203	43%	0.426	C	S	.	.	H	α-helix	trans	-71.9	-24	174.7	-169.7	0	0	0	0	113.1	S193 S195 M201	S193-S197 WeakPolarHBondContact O-CB 3.03Å; S195-S197 PolarHBondContact O-N 3.26Å; S197-M201 PolarHBondContact O-N 3.42Å
198	S	47.6	Very low	45.8	Very low	20 Å²	20	76.1 Å²	76.1	14%	0.14	40%	0.398	C	S	.	.	H	α-helix	trans	-74.9	-50.1	172.3	-163.3	0	0	0	0	110.6	K194 S195 T196 L200 M201 E202	K194-S198 PolarHBondContact O-N 3.35Å; S195-S198 WeakPolarHBondContact O-CB 3.42Å; S195-S198 PolarHBondContact O-N 2.9Å; S195-S198 VanDerWaalsContact O-N 3.11Å; T196-S198 VanDerWaalsContact C-N 3.3Å; T196-S198 PolarHBondContact O-N 3.38Å; S198-L200 PolarHBondContact O-N 2.8Å; S198-M201 PolarHBondContact O-N 2.96Å; S198-E202 WeakPolarHBondContact O-CB 3.22Å; S198-E202 PolarHBondContact O-N 2.85Å
199	K	50.7	Low	47	Very low	139 Å²	139	71.4 Å²	71.4	60%	0.604	38%	0.377	S	S	*	.	H	α-helix	trans	-61.5	-41.4	180	-74.3	-167.5	172.5	-167.3	0	113.2	S195 M201 E202 E203	S195-K199 PolarHBondContact O-N 3.32Å; K199-M201 VanDerWaalsContact C-N 3.32Å; K199-M201 PolarHBondContact O-N 3.49Å; K199-E202 PolarHBondContact O-N 3.49Å; K199-E203 WeakPolarHBondContact O-CB 3.44Å; K199-E203 PolarHBondContact O-N 3.19Å
200	L	48.9	Very low	48.4	Very low	43 Å²	43	71.1 Å²	71.1	23%	0.225	38%	0.378	C	S	.	.	H	α-helix	trans	-68.8	-29.9	177.3	179.4	144.6	0	0	0	112.4	T196 S198 I204	T196-L200 WeakPolarHBondContact O-CB 3.23Å; T196-L200 PolarHBondContact O-N 2.78Å; S198-L200 PolarHBondContact O-N 2.8Å; L200-I204 HydrophobicContact CD2-CD1 3.65Å; L200-I204 HydrophobicContact CG-CD1 4.21Å; L200-I204 WeakPolarHBondContact O-CB 3.38Å; L200-I204 WeakPolarHBondContact O-CD1 3.43Å; L200-I204 WeakPolarHBondContact O-CG1 3.14Å; L200-I204 PolarHBondContact O-N 3.34Å; L200-I204 VanDerWaalsContact O-N 3.16Å
201	M	53.3	Low	49.4	Very low	24 Å²	24	70.7 Å²	70.7	12%	0.118	37%	0.369	C	S	.	.	H	α-helix	trans	-73.3	-39.3	169.8	-86.8	-61.1	-40.7	0	0	111.9	S197 S198 K199 I204 M205 W1064 F1090 Y1093	S197-M201 PolarHBondContact O-N 3.42Å; S198-M201 PolarHBondContact O-N 2.96Å; K199-M201 VanDerWaalsContact C-N 3.32Å; K199-M201 PolarHBondContact O-N 3.49Å; M201-I204 PolarHBondContact O-N 3.14Å; M201-M205 HydrophobicContact CE-CG 3.78Å; M201-M205 HydrophobicContact CE-SD 3.46Å; M201-M205 WeakPolarHBondContact CE-SD 3.42Å; M201-M205 VanDerWaalsContact O-CB 3.32Å; M201-M205 WeakPolarHBondContact O-CB 3.45Å; M201-M205 WeakPolarHBondContact O-CG 3.39Å; M201-M205 PolarHBondContact O-N 2.85Å; M201-W1064 HydrophobicContact CB-CH2 4.13Å; M201-W1064 HydrophobicContact CB-CZ3 4.47Å; M201-F1090 HydrophobicContact CE-CD2 3.82Å; M201-F1090 HydrophobicContact CE-CE2 4.05Å; M201-F1090 HydrophobicContact CG-CE2 4.31Å; M201-F1090 HydrophobicContact SD-CD2 4.35Å; M201-F1090 HydrophobicContact SD-CE2 4.43Å; M201-Y1093 HydrophobicContact CG-CE1 4.45Å; M201-Y1093 HydrophobicContact SD-CE1 4.42Å
202	E	58.1	Low	50.4	Low	65 Å²	65	67 Å²	67	30%	0.304	35%	0.349	S	S	.	.	H	α-helix	trans	-62.3	-44.7	176.5	-173.2	160.5	-145.7	0	0	111.2	S198 K199 M205 M206 W1064 Y1068	S198-E202 WeakPolarHBondContact O-CB 3.22Å; S198-E202 PolarHBondContact O-N 2.85Å; K199-E202 PolarHBondContact O-N 3.49Å; E202-M205 PolarHBondContact O-N 2.84Å; E202-M206 HydrophobicContact CG-SD 4.26Å; E202-M206 WeakPolarHBondContact O-CB 3.41Å; E202-M206 VanDerWaalsContact O-CG 3.25Å; E202-M206 WeakPolarHBondContact O-CG 3.31Å; E202-M206 PolarHBondContact O-N 3Å; E202-W1064 HydrophobicContact CB-CZ2 4.34Å; E202-Y1068 HydrophobicContact CG-CE2 4.27Å
203	E	55	Low	51.2	Low	111 Å²	111	66.1 Å²	66.1	52%	0.519	35%	0.345	S	S	.	.	H	α-helix	trans	-59.2	-50.2	172.1	-172.4	177.4	-179.8	0	0	112	K199 M205 M206 D207	K199-E203 WeakPolarHBondContact O-CB 3.44Å; K199-E203 PolarHBondContact O-N 3.19Å; E203-M205 VanDerWaalsContact C-N 3.28Å; E203-M205 PolarHBondContact O-N 2.99Å; E203-M206 PolarHBondContact O-N 2.91Å; E203-D207 PolarHBondContact O-N 3.4Å
204	I	54.1	Low	51.6	Low	60 Å²	60	66.9 Å²	66.9	31%	0.308	34%	0.342	S	S	.	.	H	α-helix	trans	-63.8	-31.4	177	-72.6	170.6	0	0	0	112.5	L200 M201 I208	L200-I204 HydrophobicContact CD2-CD1 3.65Å; L200-I204 HydrophobicContact CG-CD1 4.21Å; L200-I204 WeakPolarHBondContact O-CB 3.38Å; L200-I204 WeakPolarHBondContact O-CD1 3.43Å; L200-I204 WeakPolarHBondContact O-CG1 3.14Å; L200-I204 PolarHBondContact O-N 3.34Å; L200-I204 VanDerWaalsContact O-N 3.16Å; M201-I204 PolarHBondContact O-N 3.14Å; I204-I208 HydrophobicContact CG2-CD1 4.28Å; I204-I208 WeakPolarHBondContact O-CD1 3.34Å; I204-I208 VanDerWaalsContact O-CG1 3.29Å; I204-I208 WeakPolarHBondContact O-CG1 3.34Å
205	M	62.2	Low	51.7	Low	4 Å²	4	69.4 Å²	69.4	2%	0.02	35%	0.353	C	S	.	.	H	α-helix	trans	-77.1	-42.1	177.4	-70.8	167.5	79.4	0	0	110.7	M201 E202 E203 D207 I208 D209 W1064 F1065 Y1068 F1079	M201-M205 HydrophobicContact CE-CG 3.78Å; M201-M205 HydrophobicContact CE-SD 3.46Å; M201-M205 WeakPolarHBondContact CE-SD 3.42Å; M201-M205 VanDerWaalsContact O-CB 3.32Å; M201-M205 WeakPolarHBondContact O-CB 3.45Å; M201-M205 WeakPolarHBondContact O-CG 3.39Å; M201-M205 PolarHBondContact O-N 2.85Å; E202-M205 PolarHBondContact O-N 2.84Å; E203-M205 VanDerWaalsContact C-N 3.28Å; E203-M205 PolarHBondContact O-N 2.99Å; M205-D207 PolarHBondContact O-N 3.31Å; M205-I208 PolarHBondContact O-N 3.41Å; M205-I208 VanDerWaalsContact O-N 3.1Å; M205-D209 WeakPolarHBondContact O-CB 3.15Å; M205-D209 PolarHBondContact O-N 2.88Å; M205-D209 VanDerWaalsContact O-OD2 3.09Å; M205-W1064 HydrophobicContact SD-CH2 3.78Å; M205-W1064 HydrophobicContact SD-CZ3 3.94Å; M205-F1065 HydrophobicContact CE-CD2 4.14Å; M205-F1065 HydrophobicContact CE-CE2 4.03Å; M205-Y1068 HydrophobicContact CB-CE1 3.98Å; M205-Y1068 HydrophobicContact CB-CE2 4.34Å; M205-Y1068 WeakPolarHBondContact CB-OH 3.39Å; M205-Y1068 HydrophobicContact CE-CD1 3.38Å; M205-Y1068 HydrophobicContact CE-CD2 4.44Å; M205-Y1068 HydrophobicContact CE-CE1 3.6Å; M205-Y1068 HydrophobicContact CE-CG 3.85Å; M205-F1079 HydrophobicContact CE-CZ 3.9Å
206	M	61.4	Low	52.6	Low	97 Å²	97	69.4 Å²	69.4	48%	0.478	35%	0.348	S	S	.	.	H	α-helix	trans	-58	-45.5	173.2	-74.7	173.1	56.9	0	0	112.7	E202 E203 I208 D209 E210	E202-M206 HydrophobicContact CG-SD 4.26Å; E202-M206 WeakPolarHBondContact O-CB 3.41Å; E202-M206 VanDerWaalsContact O-CG 3.25Å; E202-M206 WeakPolarHBondContact O-CG 3.31Å; E202-M206 PolarHBondContact O-N 3Å; E203-M206 PolarHBondContact O-N 2.91Å; M206-I208 PolarHBondContact O-N 3.13Å; M206-D209 WeakPolarHBondContact O-CB 3.37Å; M206-D209 PolarHBondContact O-N 3.13Å; M206-D209 VanDerWaalsContact O-N 3.14Å; M206-E210 PolarHBondContact O-N 2.83Å; M206-E210 VanDerWaalsContact O-N 3.07Å
207	D	54.3	Low	52.9	Low	106 Å²	106	71.5 Å²	71.5	57%	0.567	36%	0.357	S	S	*	.	H	α-helix	trans	-56.4	-33.6	174.8	-91.3	5.8	0	0	0	112.7	E203 M205 N211	E203-D207 PolarHBondContact O-N 3.4Å; M205-D207 PolarHBondContact O-N 3.31Å; D207-N211 PolarHBondContact O-ND2 3.18Å
208	I	52.4	Low	52.8	Low	53 Å²	53	71.6 Å²	71.6	27%	0.272	35%	0.354	S	S	.	.	H	α-helix	trans	-84.7	-34.4	179.1	-64.3	168.6	0	0	0	111	I204 M205 M206 N211 L212 F1082	I204-I208 HydrophobicContact CG2-CD1 4.28Å; I204-I208 WeakPolarHBondContact O-CD1 3.34Å; I204-I208 VanDerWaalsContact O-CG1 3.29Å; I204-I208 WeakPolarHBondContact O-CG1 3.34Å; M205-I208 PolarHBondContact O-N 3.41Å; M205-I208 VanDerWaalsContact O-N 3.1Å; M206-I208 PolarHBondContact O-N 3.13Å; I208-N211 CarbonylContact O-C 3.46Å; I208-N211 PolarHBondContact O-N 2.76Å; I208-L212 PolarHBondContact O-N 2.63Å; I208-F1082 HydrophobicContact CD1-CZ 3.99Å; I208-F1082 HydrophobicContact CG2-CD1 4.47Å; I208-F1082 HydrophobicContact CG2-CD2 4.47Å; I208-F1082 HydrophobicContact CG2-CE1 3.93Å; I208-F1082 HydrophobicContact CG2-CE2 3.94Å; I208-F1082 HydrophobicContact CG2-CZ 3.65Å
209	D	57.1	Low	52.4	Low	15 Å²	15	75.8 Å²	75.8	8%	0.08	38%	0.381	C	S	.	.	H	α-helix	trans	-61.2	-48.3	177.6	-85.6	-50.8	0	0	0	112.5	M205 M206 N211 L212 Y1068 Q1072 F1079	M205-D209 WeakPolarHBondContact O-CB 3.15Å; M205-D209 PolarHBondContact O-N 2.88Å; M205-D209 VanDerWaalsContact O-OD2 3.09Å; M206-D209 WeakPolarHBondContact O-CB 3.37Å; M206-D209 PolarHBondContact O-N 3.13Å; M206-D209 VanDerWaalsContact O-N 3.14Å; D209-N211 PolarHBondContact O-N 2.95Å; D209-L212 WeakPolarHBondContact O-CB 3.47Å; D209-L212 PolarHBondContact O-N 2.79Å; D209-L212 VanDerWaalsContact O-N 3.13Å; D209-Y1068 PolarHBondContact OD2-OH 3.14Å; D209-Q1072 VanDerWaalsContact CG-CD 3.42Å; D209-Q1072 VanDerWaalsContact CG-CG 3.5Å; D209-Q1072 VanDerWaalsContact OD1-CD 3.29Å; D209-Q1072 WeakPolarHBondContact OD1-CG 3.48Å; D209-Q1072 PolarHBondContact OD1-NE2 3.32Å; D209-Q1072 WeakPolarHBondContact OD2-CG 3.16Å; D209-Q1072 PolarHBondContact OD2-NE2 3.06Å; D209-F1079 WeakPolarHBondContact OD1-CD2 3.5Å; D209-F1079 WeakPolarHBondContact OD1-CE2 3.38Å
210	E	57.4	Low	51.8	Low	158 Å²	158	74.4 Å²	74.4	74%	0.738	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.5	176.2	-66.9	-170	177.1	0	0	112.8	M206	M206-E210 PolarHBondContact O-N 2.83Å; M206-E210 VanDerWaalsContact O-N 3.07Å
211	N	56.1	Low	51.3	Low	80 Å²	80	77.1 Å²	77.1	43%	0.428	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	1.9	178.9	-74.9	-80.6	0	0	0	113.8	D207 I208 D209 D213 L214	D207-N211 PolarHBondContact O-ND2 3.18Å; I208-N211 CarbonylContact O-C 3.46Å; I208-N211 PolarHBondContact O-N 2.76Å; D209-N211 PolarHBondContact O-N 2.95Å; N211-D213 PolarHBondContact O-N 3.13Å; N211-L214 WeakPolarHBondContact O-CB 3.5Å; N211-L214 PolarHBondContact O-N 3.42Å
212	L	54.6	Low	50.5	Low	4 Å²	4	83.9 Å²	83.9	2%	0.021	43%	0.427	C	S	.	.	H	α-helix	trans	-71.4	-33.7	-167.9	-171.4	64.1	0	0	0	113.7	I208 D209 L214 F215 L216 K1078 F1079 F1082	I208-L212 PolarHBondContact O-N 2.63Å; D209-L212 WeakPolarHBondContact O-CB 3.47Å; D209-L212 PolarHBondContact O-N 2.79Å; D209-L212 VanDerWaalsContact O-N 3.13Å; L212-L214 VanDerWaalsContact C-N 3.33Å; L212-L214 PolarHBondContact O-N 2.99Å; L212-F215 WeakPolarHBondContact O-CB 3.42Å; L212-F215 PolarHBondContact O-N 3.39Å; L212-F215 VanDerWaalsContact O-N 3.15Å; L212-L216 HydrophobicContact CD1-CD1 3.71Å; L212-L216 HydrophobicContact CG-CD1 4.09Å; L212-L216 WeakPolarHBondContact O-CD1 3.37Å; L212-L216 PolarHBondContact O-N 2.85Å; L212-K1078 HydrophobicContact CD2-CB 3.79Å; L212-K1078 HydrophobicContact CG-CB 4.1Å; L212-F1079 HydrophobicContact CD2-CB 3.97Å; L212-F1079 HydrophobicContact CD2-CD2 4.12Å; L212-F1082 HydrophobicContact CD1-CB 4.01Å; L212-F1082 HydrophobicContact CD1-CG 4.4Å
213	D	49.8	Very low	49.8	Very low	74 Å²	74	83.8 Å²	83.8	40%	0.396	43%	0.431	S	S	.	.	H	α-helix	trans	-65.6	-37.9	179.2	-68.8	-42	0	0	0	111.9	N211 F215 L216 D217 N1076 K1078	N211-D213 PolarHBondContact O-N 3.13Å; D213-F215 PolarHBondContact O-N 3.46Å; D213-L216 PolarHBondContact O-N 3.18Å; D213-D217 PolarHBondContact O-N 3.24Å; D213-D217 VanDerWaalsContact O-N 3.11Å; D213-N1076 PolarHBondContact OD1-ND2 3.24Å; D213-N1076 PolarHBondContact OD2-ND2 3.36Å; D213-K1078 VanDerWaalsContact OD1-CD 3.27Å; D213-K1078 WeakPolarHBondContact OD1-CD 3.25Å; D213-K1078 WeakPolarHBondContact OD1-CE 3.34Å; D213-K1078 IonicContact OD1-NZ 2.64Å; D213-K1078 PolarHBondContact OD1-NZ 3.42Å
214	L	49.2	Very low	49.5	Very low	95 Å²	95	82.2 Å²	82.2	50%	0.497	43%	0.427	S	S	.	.	H	α-helix	trans	-61.5	-26.3	174.1	-70.1	145.7	0	0	0	112.9	N211 L212 Q218 I254	N211-L214 WeakPolarHBondContact O-CB 3.5Å; N211-L214 PolarHBondContact O-N 3.42Å; L212-L214 VanDerWaalsContact C-N 3.33Å; L212-L214 PolarHBondContact O-N 2.99Å; L214-Q218 PolarHBondContact O-NE2 2.84Å; L214-I254 HydrophobicContact CD2-CD1 4.12Å
215	F	44.2	Very low	49	Very low	155 Å²	155	90.1 Å²	90.1	68%	0.68	45%	0.453	S	S	*	.	H	α-helix	trans	-81.9	-23.8	179.2	-98.9	-86.9	0	0	0	114.2	L212 D213	L212-F215 WeakPolarHBondContact O-CB 3.42Å; L212-F215 PolarHBondContact O-N 3.39Å; L212-F215 VanDerWaalsContact O-N 3.15Å; D213-F215 PolarHBondContact O-N 3.46Å
216	L	53.5	Low	48.6	Very low	57 Å²	57	99.4 Å²	99.4	30%	0.298	49%	0.487	S	S	.	.	H	α-helix	trans	-117.5	-26	-171.7	-76.4	94.2	0	0	0	115.9	L212 D213 Q218 K1078 I1081	L212-L216 HydrophobicContact CD1-CD1 3.71Å; L212-L216 HydrophobicContact CG-CD1 4.09Å; L212-L216 WeakPolarHBondContact O-CD1 3.37Å; L212-L216 PolarHBondContact O-N 2.85Å; D213-L216 PolarHBondContact O-N 3.18Å; L216-Q218 PolarHBondContact O-N 3.13Å; L216-K1078 HydrophobicContact CB-CD 4.04Å; L216-K1078 HydrophobicContact CB-CG 4.48Å; L216-K1078 HydrophobicContact CD1-CB 4.29Å; L216-K1078 HydrophobicContact CD2-CB 4.1Å; L216-K1078 HydrophobicContact CD2-CG 4.13Å; L216-I1081 HydrophobicContact CD2-CB 4.32Å; L216-I1081 HydrophobicContact CD2-CD1 3.85Å; L216-I1081 HydrophobicContact CD2-CG2 4.32Å
217	D	46.3	Very low	48.3	Very low	112 Å²	112	98.2 Å²	98.2	60%	0.599	48%	0.483	S	S	*	.			trans	-80.8	30.3	-174.3	-70.8	-19.2	0	0	0	114.6	D213 K1078	D213-D217 PolarHBondContact O-N 3.24Å; D213-D217 VanDerWaalsContact O-N 3.11Å; D217-K1078 WeakPolarHBondContact OD1-CE 3.45Å; D217-K1078 IonicContact OD1-NZ 3.44Å; D217-K1078 PolarHBondContact OD1-NZ 3.33Å; D217-K1078 IonicContact OD2-NZ 3.49Å; D217-K1078 PolarHBondContact OD2-NZ 2.93Å
218	Q	42.2	Very low	48.4	Very low	32 Å²	32	97 Å²	97	15%	0.15	48%	0.476	C	S	.	.			trans	-94.4	118	-179.5	-64.3	172	31.7	0	0	110.1	L214 L216 I220 L244 P246	L214-Q218 PolarHBondContact O-NE2 2.84Å; L216-Q218 PolarHBondContact O-N 3.13Å; Q218-I220 PolarHBondContact O-N 3.06Å; Q218-I220 VanDerWaalsContact O-N 3.13Å; Q218-L244 PolarHBondContact OE1-O 3.27Å; Q218-P246 HydrophobicContact CG-CB 4.26Å
219	P	39.1	Very low	48.5	Very low	108 Å²	108	99.8 Å²	99.8	70%	0.701	50%	0.498	S	S	*	.			trans	-69.4	112.8	-178.8	26.8	-33.3	0	0	0	110.9	T221	P219-T221 VanDerWaalsContact C-N 3.33Å; P219-T221 PolarHBondContact O-N 2.85Å; P219-T221 PolarHBondContact O-OG1 3.26Å
220	I	39.7	Very low	48.7	Very low	109 Å²	109	105.8 Å²	105.8	56%	0.559	53%	0.528	S	S	*	.			trans	-60.2	90.6	179.6	-57.4	176.9	0	0	0	109.7	Q218 F222 Q243	Q218-I220 PolarHBondContact O-N 3.06Å; Q218-I220 VanDerWaalsContact O-N 3.13Å; I220-F222 PolarHBondContact O-N 2.92Å; I220-Q243 HydrophobicContact CG2-CB 4.1Å
221	T	37.1	Very low	48.4	Very low	101 Å²	101	101.3 Å²	101.3	62%	0.62	51%	0.509	S	S	*	.			trans	-89.9	104.9	-174.1	-58.9	0	0	0	0	109.2	P219	P219-T221 VanDerWaalsContact C-N 3.33Å; P219-T221 PolarHBondContact O-N 2.85Å; P219-T221 PolarHBondContact O-OG1 3.26Å
222	F	37.4	Very low	48.3	Very low	166 Å²	166	99.1 Å²	99.1	73%	0.728	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-57.3	145.6	172.8	-87.7	-92.6	0	0	0	111.2	I220 N224	I220-F222 PolarHBondContact O-N 2.92Å; F222-N224 PolarHBondContact O-N 3.25Å
223	P	43.1	Very low	47.8	Very low	62 Å²	62	105.2 Å²	105.2	40%	0.403	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-59.6	136.6	179.5	-20	33.3	0	0	0	110.5	L228	P223-L228 HydrophobicContact CB-CD1 4.04Å
224	N	48.5	Very low	47.8	Very low	78 Å²	78	104.6 Å²	104.6	42%	0.417	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-64.1	143	178.9	-166.2	-19	0	0	0	109	F222 R226 D227 L228	F222-N224 PolarHBondContact O-N 3.25Å; N224-R226 PolarHBondContact O-N 2.9Å; N224-D227 VanDerWaalsContact CB-OD2 3.25Å; N224-D227 WeakPolarHBondContact CB-OD2 3.41Å; N224-D227 PolarHBondContact O-N 3.19Å; N224-L228 WeakPolarHBondContact O-CD1 3.39Å
225	R	44.3	Very low	47.9	Very low	226 Å²	226	104.1 Å²	104.1	85%	0.853	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-16.2	179.6	-75.3	-167	-179.6	-137.6	3.5	113.9
226	R	52.4	Low	48.4	Very low	199 Å²	199	101.3 Å²	101.3	75%	0.751	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-20.5	177.1	-55	178.9	-167.2	161.6	4.9	113.8	N224 P229	N224-R226 PolarHBondContact O-N 2.9Å; R226-P229 WeakPolarHBondContact O-CD 3.44Å
227	D	55.6	Low	48.1	Very low	73 Å²	73	106 Å²	106	39%	0.39	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.9	-19.7	-171.6	-50.3	-25.9	0	0	0	112.1	N224 P229 I230	N224-D227 VanDerWaalsContact CB-OD2 3.25Å; N224-D227 WeakPolarHBondContact CB-OD2 3.41Å; N224-D227 PolarHBondContact O-N 3.19Å; D227-P229 VanDerWaalsContact C-N 3.3Å; D227-I230 WeakPolarHBondContact O-CB 3.47Å; D227-I230 PolarHBondContact O-N 3.21Å
228	L	57.5	Low	48.6	Very low	80 Å²	80	107.7 Å²	107.7	42%	0.419	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-48.6	-37.7	175	-88.3	62.4	0	0	0	114.7	P223 N224 I230 L231	P223-L228 HydrophobicContact CB-CD1 4.04Å; N224-L228 WeakPolarHBondContact O-CD1 3.39Å; L228-I230 PolarHBondContact O-N 2.8Å; L228-L231 PolarHBondContact O-N 3.42Å
229	P	54.2	Low	48.7	Very low	112 Å²	112	110.7 Å²	110.7	73%	0.727	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-70.7	-8.3	177.4	-19.2	33.7	0	0	0	115.2	R226 D227	R226-P229 WeakPolarHBondContact O-CD 3.44Å; D227-P229 VanDerWaalsContact C-N 3.3Å
230	I	59.7	Low	48.7	Very low	141 Å²	141	107.8 Å²	107.8	72%	0.723	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-97.5	-22.9	-178.9	-53.2	175.6	0	0	0	110.8	D227 L228	D227-I230 WeakPolarHBondContact O-CB 3.47Å; D227-I230 PolarHBondContact O-N 3.21Å; L228-I230 PolarHBondContact O-N 2.8Å
231	L	51.2	Low	49.2	Very low	64 Å²	64	108.3 Å²	108.3	34%	0.335	57%	0.574	S	S	.	*	S	Bend	trans	-77.4	141.6	176.9	-92.3	63.3	0	0	0	110.9	L228 D235 I236	L228-L231 PolarHBondContact O-N 3.42Å; L231-D235 HydrophobicContact CB-CB 3.9Å; L231-D235 HydrophobicContact CD2-CB 3.78Å; L231-D235 HydrophobicContact CG-CB 3.65Å; L231-I236 HydrophobicContact CB-CG1 3.96Å
232	G	55.4	Low	49.8	Very low	33 Å²	33	110.8 Å²	110.8	34%	0.34	58%	0.578	S	S	.	*			trans	-75.1	164.6	172.3	0	0	0	0	0	111.7	A234 D235 I236	G232-A234 PolarHBondContact O-N 3.2Å; G232-D235 PolarHBondContact N-OD2 3.49Å; G232-D235 PolarHBondContact O-N 3.14Å; G232-I236 WeakPolarHBondContact O-CG1 3.41Å; G232-I236 PolarHBondContact O-N 3.38Å
233	N	44.5	Very low	50.2	Low	132 Å²	132	105 Å²	105	71%	0.706	55%	0.553	S	S	*	*	H	α-helix	trans	-53.7	-27.5	176.3	-67.7	-2.8	0	0	0	113.1	M237	N233-M237 WeakPolarHBondContact O-CG 3.49Å; N233-M237 PolarHBondContact O-N 2.75Å
234	A	48.5	Very low	50	Low	61 Å²	61	106.4 Å²	106.4	50%	0.504	56%	0.557	S	S	.	*	H	α-helix	trans	-66	-49.8	173.2	0	0	0	0	0	112.2	G232 I236 M237 Q238	G232-A234 PolarHBondContact O-N 3.2Å; A234-I236 VanDerWaalsContact C-N 3.32Å; A234-I236 PolarHBondContact O-N 3.28Å; A234-M237 PolarHBondContact O-N 2.99Å; A234-Q238 WeakPolarHBondContact O-CB 3.49Å; A234-Q238 PolarHBondContact O-N 3.45Å
235	D	50.6	Low	49.9	Very low	86 Å²	86	105 Å²	105	46%	0.46	55%	0.548	S	S	.	.	H	α-helix	trans	-71.9	-26.9	-176.8	-43.3	-68.3	0	0	0	112.4	L231 G232 Q238	L231-D235 HydrophobicContact CB-CB 3.9Å; L231-D235 HydrophobicContact CD2-CB 3.78Å; L231-D235 HydrophobicContact CG-CB 3.65Å; G232-D235 PolarHBondContact N-OD2 3.49Å; G232-D235 PolarHBondContact O-N 3.14Å; D235-Q238 CarbonylContact O-C 3.45Å; D235-Q238 VanDerWaalsContact O-O 3.09Å
236	I	55.3	Low	49.5	Very low	96 Å²	96	98.1 Å²	98.1	49%	0.492	53%	0.532	S	S	.	.	H	α-helix	trans	-70.7	-38.1	173.5	-63.4	171.2	0	0	0	111	L231 G232 A234	L231-I236 HydrophobicContact CB-CG1 3.96Å; G232-I236 WeakPolarHBondContact O-CG1 3.41Å; G232-I236 PolarHBondContact O-N 3.38Å; A234-I236 VanDerWaalsContact C-N 3.32Å; A234-I236 PolarHBondContact O-N 3.28Å
237	M	48.5	Very low	48.8	Very low	154 Å²	154	94 Å²	94	76%	0.759	53%	0.526	S	S	*	.	H	α-helix	trans	-86.3	-14.5	177.3	-65.2	-169.1	-59.2	0	0	113.5	N233 A234	N233-M237 WeakPolarHBondContact O-CG 3.49Å; N233-M237 PolarHBondContact O-N 2.75Å; A234-M237 PolarHBondContact O-N 2.99Å
238	Q	55.7	Low	47.8	Very low	148 Å²	148	98.9 Å²	98.9	69%	0.692	54%	0.538	S	S	*	.	S	Bend	trans	-131.6	90.7	178	-62.7	-167.3	-26.6	0	0	109.9	A234 D235 G240	A234-Q238 WeakPolarHBondContact O-CB 3.49Å; A234-Q238 PolarHBondContact O-N 3.45Å; D235-Q238 CarbonylContact O-C 3.45Å; D235-Q238 VanDerWaalsContact O-O 3.09Å; Q238-G240 PolarHBondContact O-N 3.44Å
239	P	43.5	Very low	47.1	Very low	96 Å²	96	99 Å²	99	62%	0.623	55%	0.546	S	S	*	.			trans	-59.7	110.2	175.1	24.7	-33.4	0	0	0	109.5
240	G	39.7	Very low	46.4	Very low	46 Å²	46	96.8 Å²	96.8	47%	0.474	53%	0.533	S	S	.	.			trans	-64.7	158	-175.5	0	0	0	0	0	112.7	Q238 Q242	Q238-G240 PolarHBondContact O-N 3.44Å; G240-Q242 PolarHBondContact O-N 3.04Å
241	L	50.8	Low	45.2	Very low	120 Å²	120	92.7 Å²	92.7	63%	0.628	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-66.1	19.5	175.5	-75.9	80.6	0	0	0	113.7	Q243 L244	L241-Q243 PolarHBondContact O-N 3.1Å; L241-L244 HydrophobicContact CD2-CD1 4.4Å; L241-L244 HydrophobicContact CG-CD1 4.42Å; L241-L244 CarbonylContact O-C 3.5Å; L241-L244 PolarHBondContact O-N 2.86Å; L241-L244 VanDerWaalsContact O-N 3.09Å
242	Q	48.6	Very low	44.7	Very low	153 Å²	153	95.4 Å²	95.4	72%	0.715	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-69.7	-19.4	172.5	-160.9	154.6	-22.5	0	0	112.4	G240 L244	G240-Q242 PolarHBondContact O-N 3.04Å; Q242-L244 PolarHBondContact O-N 3.11Å
243	Q	46	Very low	44	Very low	44 Å²	44	99.2 Å²	99.2	21%	0.206	54%	0.544	C	S	.	.	G	3₁₀ helix	trans	-75.6	-6.5	168.6	-55.6	-177.9	-15.9	0	0	113.6	I220 L241	I220-Q243 HydrophobicContact CG2-CB 4.1Å; L241-Q243 PolarHBondContact O-N 3.1Å
244	L	40.1	Very low	43.6	Very low	92 Å²	92	96 Å²	96	48%	0.482	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-120.3	49.8	175.5	-59.5	173.8	0	0	0	109.1	Q218 L241 Q242	Q218-L244 PolarHBondContact OE1-O 3.27Å; L241-L244 HydrophobicContact CD2-CD1 4.4Å; L241-L244 HydrophobicContact CG-CD1 4.42Å; L241-L244 CarbonylContact O-C 3.5Å; L241-L244 PolarHBondContact O-N 2.86Å; L241-L244 VanDerWaalsContact O-N 3.09Å; Q242-L244 PolarHBondContact O-N 3.11Å
245	Q	46.9	Very low	43.1	Very low	50 Å²	50	97.1 Å²	97.1	23%	0.234	53%	0.53	C	S	.	.			trans	-122.4	127.5	169.8	-63.8	-170.7	31.9	0	0	109.7	S898 R902	Q245-S898 PolarHBondContact OE1-OG 3.22Å; Q245-R902 VanDerWaalsContact CD-NH2 3.31Å
246	P	34.9	Very low	42.3	Very low	80 Å²	80	96.5 Å²	96.5	52%	0.519	53%	0.532	S	S	.	.			trans	-70.5	142.6	175.8	28.8	-32.4	0	0	0	110.1	Q218	Q218-P246 HydrophobicContact CG-CB 4.26Å
247	D	37.1	Very low	41.3	Very low	114 Å²	114	97.2 Å²	97.2	61%	0.61	54%	0.537	S	S	*	.			trans	-67.6	147.6	-176.1	-178.6	40.7	0	0	0	112.6	S249	D247-S249 PolarHBondContact O-N 3.11Å; D247-S249 WeakPolarHBondContact OD2-CB 3.41Å; D247-S249 PolarHBondContact OD2-N 3.44Å; D247-S249 PolarHBondContact OD2-OG 3.02Å
248	R	35.5	Very low	40.7	Very low	174 Å²	174	95.3 Å²	95.3	66%	0.657	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.2	-178.9	-76.9	-178.6	164.1	-170.9	-4	113.6	C251	R248-C251 PolarHBondContact O-N 3.47Å
249	S	41.8	Very low	39.7	Very low	83 Å²	83	96.7 Å²	96.7	58%	0.58	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-41.3	-177.2	56.7	0	0	0	0	113.8	D247	D247-S249 PolarHBondContact O-N 3.11Å; D247-S249 WeakPolarHBondContact OD2-CB 3.41Å; D247-S249 PolarHBondContact OD2-N 3.44Å; D247-S249 PolarHBondContact OD2-OG 3.02Å
250	S	40	Very low	39.1	Very low	65 Å²	65	100.1 Å²	100.1	46%	0.455	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-19.4	-178.3	176.5	0	0	0	0	114	N252 D253	S250-N252 PolarHBondContact O-N 3.48Å; S250-D253 PolarHBondContact O-N 3.26Å
251	C	35.8	Very low	38.6	Very low	56 Å²	56	103 Å²	103	38%	0.378	55%	0.553	S	S	.	*	H	α-helix	trans	-62.2	-18	-172.6	-170.1	0	0	0	0	114.9	R248	R248-C251 PolarHBondContact O-N 3.47Å
252	N	40.3	Very low	37.5	Very low	121 Å²	121	104 Å²	104	65%	0.647	56%	0.563	S	S	*	*	H	α-helix	trans	-77.3	-29.5	-174.7	-66.6	-34.3	0	0	0	113.5	S250	S250-N252 PolarHBondContact O-N 3.48Å
253	D	39.2	Very low	36.7	Very low	112 Å²	112	105.5 Å²	105.5	60%	0.599	57%	0.571	S	S	*	*	H	α-helix	trans	-81.1	-36.4	176.5	-56.9	-48.1	0	0	0	110.9	S250 S255 C256 N257	S250-D253 PolarHBondContact O-N 3.26Å; D253-S255 VanDerWaalsContact C-N 3.28Å; D253-S255 PolarHBondContact O-N 2.93Å; D253-C256 PolarHBondContact O-N 3.19Å; D253-C256 VanDerWaalsContact O-N 3.08Å; D253-N257 PolarHBondContact O-N 3.43Å
254	I	38	Very low	36	Very low	65 Å²	65	108 Å²	108	33%	0.333	59%	0.591	S	S	.	*	H	α-helix	trans	-57.8	-38.9	-179.6	-60.9	176.7	0	0	0	111.7	L214 C256 I258	L214-I254 HydrophobicContact CD2-CD1 4.12Å; I254-C256 PolarHBondContact O-N 3.16Å; I254-I258 HydrophobicContact CG2-CD1 3.66Å; I254-I258 WeakPolarHBondContact O-CD1 3.31Å; I254-I258 WeakPolarHBondContact O-CG1 3.32Å
255	S	36	Very low	35.4	Very low	85 Å²	85	112 Å²	112	59%	0.594	60%	0.6	S	S	*	*	H	α-helix	trans	-72	-12.9	-179.2	-168.1	0	0	0	0	114.5	D253	D253-S255 VanDerWaalsContact C-N 3.28Å; D253-S255 PolarHBondContact O-N 2.93Å
256	C	35.1	Very low	34.5	Very low	72 Å²	72	114.4 Å²	114.4	49%	0.486	62%	0.623	S	S	.	*	H	α-helix	trans	-93	-42.9	179.9	-61.9	0	0	0	0	111.4	D253 I254	D253-C256 PolarHBondContact O-N 3.19Å; D253-C256 VanDerWaalsContact O-N 3.08Å; I254-C256 PolarHBondContact O-N 3.16Å
257	N	33.5	Very low	34.1	Very low	112 Å²	112	116 Å²	116	60%	0.599	63%	0.632	S	S	*	*	H	α-helix	trans	-71	-37.2	-173.4	-64.2	-7.8	0	0	0	112.7	D253 F259 Q260	D253-N257 PolarHBondContact O-N 3.43Å; N257-F259 PolarHBondContact O-N 3.07Å; N257-Q260 PolarHBondContact O-N 2.85Å
258	I	37.1	Very low	33.6	Very low	114 Å²	114	120.7 Å²	120.7	59%	0.585	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-18.3	-176.7	-69.2	173	0	0	0	113.7	I254	I254-I258 HydrophobicContact CG2-CD1 3.66Å; I254-I258 WeakPolarHBondContact O-CD1 3.31Å; I254-I258 WeakPolarHBondContact O-CG1 3.32Å
259	F	33.7	Very low	33.2	Very low	177 Å²	177	121.4 Å²	121.4	78%	0.776	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.8	11.1	-174	-71.7	-73.6	0	0	0	115.2	N257	N257-F259 PolarHBondContact O-N 3.07Å
260	Q	31.7	Very low	32.4	Very low	167 Å²	167	123.4 Å²	123.4	78%	0.78	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.9	-9.8	-176.9	-67.3	-163.8	-41	0	0	116.9	N257 V262	N257-Q260 PolarHBondContact O-N 2.85Å; Q260-V262 PolarHBondContact O-N 2.92Å
261	S	27.8	Very low	31.7	Very low	106 Å²	106	125.7 Å²	125.7	74%	0.741	69%	0.686	S	S	*	*			trans	-81.7	70.4	-178	61.4	0	0	0	0	114.1
262	V	29.6	Very low	31.5	Very low	141 Å²	141	128.2 Å²	128.2	86%	0.855	71%	0.705	S	S	*	*			trans	-129.9	67.3	163.3	-170.9	0	0	0	0	109.5	Q260	Q260-V262 PolarHBondContact O-N 2.92Å
263	E	31.4	Very low	31	Very low	186 Å²	186	127.6 Å²	127.6	87%	0.869	71%	0.709	S	S	*	*			trans	-152.3	130	168	-123.1	165.4	-153.7	0	0	109.2
264	P	30.2	Very low	30.7	Very low	96 Å²	96	129.4 Å²	129.4	62%	0.623	72%	0.719	S	S	*	*			trans	-87.5	172.4	-179.9	31.4	-31.5	0	0	0	113.7
265	Y	28.2	Very low	30.3	Very low	175 Å²	175	130.1 Å²	130.1	69%	0.686	74%	0.735	S	S	*	*			trans	93.6	129.8	168.2	-55.9	-72.9	0	0	0	119.9	W282	Y265-W282 HydrophobicContact CE2-CH2 4.04Å; Y265-W282 AromaticContact CE2-CZ2 3.56Å; Y265-W282 HydrophobicContact CE2-CZ2 3.56Å; Y265-W282 AromaticContact CZ-CZ2 3.69Å; Y265-W282 WeakPolarHBondContact OH-CH2 3.34Å; Y265-W282 VanDerWaalsContact OH-CZ2 3.31Å; Y265-W282 WeakPolarHBondContact OH-CZ2 3.15Å
266	S	27.5	Very low	30.3	Very low	101 Å²	101	135.1 Å²	135.1	71%	0.706	75%	0.748	S	S	*	*			trans	-22.1	142.1	153.1	-169	0	0	0	0	114.4
267	T	26.8	Very low	30.1	Very low	115 Å²	115	136.6 Å²	136.6	71%	0.706	76%	0.759	S	S	*	*				-168.3	142.1	63.4	-59.1	0	0	0	0	113
268	F	27.2	Very low	29.7	Very low	211 Å²	211	136 Å²	136	93%	0.925	76%	0.763	S	S	*	*			trans	-70.5	123.6	164.1	-82.3	-101.3	0	0	0	110.7
269	Q	26.8	Very low	29.3	Very low	190 Å²	190	139.3 Å²	139.3	89%	0.888	78%	0.776	S	S	*	*			trans	-104	112.6	162	-82.9	-162.5	-35.2	0	0	111.5
270	C	24.9	Very low	28.9	Very low	124 Å²	124	140.6 Å²	140.6	84%	0.838	78%	0.777	S	S	*	*			trans	-75.3	155	156.1	-167.9	0	0	0	0	109.3	S272	C270-S272 PolarHBondContact O-N 2.92Å
271	S	25.7	Very low	28.9	Very low	114 Å²	114	139.3 Å²	139.3	80%	0.797	78%	0.781	S	S	*	*			trans	-87.3	109.6	-168.1	54.9	0	0	0	0	114.5
272	S	30.6	Very low	28.8	Very low	109 Å²	109	143.3 Å²	143.3	76%	0.762	78%	0.78	S	S	*	*			trans	-161	128.4	151.2	60.3	0	0	0	0	113	C270	C270-S272 PolarHBondContact O-N 2.92Å
273	S	29.6	Very low	28.7	Very low	107 Å²	107	142.4 Å²	142.4	75%	0.748	78%	0.779	S	S	*	*			trans	20	150	155.2	-48.2	0	0	0	0	124.7
274	D	32.4	Very low	28.4	Very low	151 Å²	151	139 Å²	139	81%	0.807	78%	0.777	S	S	*	*			trans	76.9	76.1	146.6	-54.2	-23.2	0	0	0	121.5
275	A	30.6	Very low	28.2	Very low	79 Å²	79	138.9 Å²	138.9	65%	0.653	78%	0.778	S	S	*	*				54.8	136.4	120.7	0	0	0	0	0	123.3
276	H	35.1	Very low	28.2	Very low	191 Å²	191	137.5 Å²	137.5	88%	0.884	78%	0.782	S	S	*	*			trans	71.2	141.6	170.6	-49.1	-80.2	0	0	0	116.4
277	S	30.7	Very low	28	Very low	102 Å²	102	143.6 Å²	143.6	71%	0.713	79%	0.791	S	S	*	*			cis	-158.4	172.8	-26.2	-161.5	0	0	0	0	109
278	C	25.4	Very low	28	Very low	100 Å²	100	147.9 Å²	147.9	68%	0.676	80%	0.803	S	S	*	*			trans	-41.8	159.9	173.7	54	0	0	0	0	116
279	E	30	Very low	27.8	Very low	183 Å²	183	146.5 Å²	146.5	86%	0.855	80%	0.797	S	S	*	*			cis	-160.5	168.3	36.2	-152.4	148	-119.5	0	0	114
280	Y	25.3	Very low	27.8	Very low	205 Å²	205	143.6 Å²	143.6	80%	0.804	79%	0.788	S	S	*	*			trans	-102.9	143.2	179.5	-94	-98.7	0	0	0	112.5
281	T	31.1	Very low	28	Very low	140 Å²	140	145.4 Å²	145.4	86%	0.859	78%	0.781	S	S	*	*			trans	-136.5	135.1	153.6	45.3	0	0	0	0	111.4
282	W	25.2	Very low	28.2	Very low	190 Å²	190	150 Å²	150	72%	0.72	78%	0.783	S	S	*	*			trans	-100.3	143.4	165.2	-91.3	35.1	0	0	0	109.2	Y265	Y265-W282 HydrophobicContact CE2-CH2 4.04Å; Y265-W282 AromaticContact CE2-CZ2 3.56Å; Y265-W282 HydrophobicContact CE2-CZ2 3.56Å; Y265-W282 AromaticContact CZ-CZ2 3.69Å; Y265-W282 WeakPolarHBondContact OH-CH2 3.34Å; Y265-W282 VanDerWaalsContact OH-CZ2 3.31Å; Y265-W282 WeakPolarHBondContact OH-CZ2 3.15Å
283	S	28	Very low	28.1	Very low	121 Å²	121	152.1 Å²	152.1	85%	0.846	78%	0.782	S	S	*	*			trans	-146.6	144.1	154.5	-166.7	0	0	0	0	109.3
284	S	25.5	Very low	27.9	Very low	116 Å²	116	152.1 Å²	152.1	81%	0.811	78%	0.782	S	S	*	*			trans	-128.8	115.1	-176.6	174.1	0	0	0	0	109.3
285	S	25.9	Very low	27.7	Very low	92 Å²	92	154.1 Å²	154.1	64%	0.643	79%	0.786	S	S	*	*			trans	-159.7	118.6	170.2	56.8	0	0	0	0	111.7
286	D	27	Very low	27.5	Very low	146 Å²	146	154.8 Å²	154.8	78%	0.781	79%	0.792	S	S	*	*			trans	63	119	140.6	-51	-37.8	0	0	0	122.3
287	Y	24	Very low	27.3	Very low	229 Å²	229	152.1 Å²	152.1	90%	0.898	79%	0.789	S	S	*	*			trans	-2.9	125.2	149	-63.5	-96.1	0	0	0	119.2
288	Q	27.7	Very low	27	Very low	205 Å²	205	156.4 Å²	156.4	96%	0.958	80%	0.795	S	S	*	*				-149.4	159.1	123.8	-149.6	148.7	29.7	0	0	113.4
289	F	23	Very low	27.3	Very low	182 Å²	182	157.5 Å²	157.5	80%	0.798	80%	0.804	S	S	*	*			trans	-113.8	130.2	-171.4	-178.9	-110.9	0	0	0	111.5
290	N	27	Very low	27.2	Very low	130 Å²	130	154 Å²	154	70%	0.695	80%	0.8	S	S	*	*			trans	85	142.8	154.4	-125.7	-14.1	0	0	0	121.4
291	K	28.3	Very low	27.4	Very low	161 Å²	161	150.3 Å²	150.3	70%	0.7	80%	0.799	S	S	*	*			trans	71.5	107.7	149.7	-168	-173.1	178.4	-175	0	120.9
292	Y	30	Very low	27.3	Very low	212 Å²	212	149.1 Å²	149.1	83%	0.831	79%	0.791	S	S	*	*				-132.4	168.5	124.5	-87.8	-73.3	0	0	0	110.2
293	M	27.9	Very low	27.7	Very low	152 Å²	152	147.6 Å²	147.6	75%	0.749	80%	0.796	S	S	*	*			trans	-140.8	157.7	-161.6	-106.2	-92.1	171.3	0	0	112.1
294	C	26	Very low	28	Very low	108 Å²	108	147.7 Å²	147.7	73%	0.73	79%	0.794	S	S	*	*			trans	17.5	132.3	161.8	-65.3	0	0	0	0	120.4
295	E	28.5	Very low	28.2	Very low	192 Å²	192	149.6 Å²	149.6	90%	0.897	79%	0.794	S	S	*	*				-153	147.9	104.8	-114.6	170.1	-162.3	0	0	111.7
296	A	25.6	Very low	28.7	Very low	94 Å²	94	150.5 Å²	150.5	78%	0.777	80%	0.798	S	S	*	*			trans	-149.1	122.7	178.2	0	0	0	0	0	109.6
297	T	30.3	Very low	29	Very low	134 Å²	134	150.8 Å²	150.8	82%	0.822	80%	0.795	S	S	*	*			trans	-129.8	129.1	-177.2	-58.2	0	0	0	0	110.1
298	F	25.9	Very low	29.3	Very low	192 Å²	192	143.9 Å²	143.9	84%	0.842	78%	0.776	S	S	*	*			trans	-73	150.5	-177.4	-70.5	-109.8	0	0	0	112.6
299	S	31.7	Very low	29.6	Very low	124 Å²	124	141.7 Å²	141.7	87%	0.867	76%	0.764	S	S	*	*				-168.8	144.6	126.4	-83	0	0	0	0	112.3
300	S	27.3	Very low	29.9	Very low	110 Å²	110	142 Å²	142	77%	0.769	77%	0.768	S	S	*	*			trans	-93.7	175.2	179.5	-42.7	0	0	0	0	112.1
301	T	29.2	Very low	29.9	Very low	127 Å²	127	140.8 Å²	140.8	78%	0.779	77%	0.769	S	S	*	*				164.3	113.3	128.1	-73.6	0	0	0	0	115.3
302	T	28.8	Very low	29.8	Very low	115 Å²	115	143.7 Å²	143.7	71%	0.706	78%	0.776	S	S	*	*			trans	47.5	124.6	149.3	63	0	0	0	0	125.5
303	L	33	Very low	29.7	Very low	157 Å²	157	140.6 Å²	140.6	82%	0.822	77%	0.774	S	S	*	*				47.2	156	111.4	-62.3	173.2	0	0	0	121.5
304	P	34.7	Very low	30.2	Very low	123 Å²	123	139 Å²	139	80%	0.799	78%	0.775	S	S	*	*			cis	-144.9	-173.5	30.4	42.6	-20.8	0	0	0	120
305	L	30.5	Very low	30.4	Very low	156 Å²	156	140.1 Å²	140.1	82%	0.817	78%	0.781	S	S	*	*			trans	-83.2	-173.9	174.3	-121.2	63.4	0	0	0	112.9
306	P	36.4	Very low	30.2	Very low	111 Å²	111	138.2 Å²	138.2	72%	0.721	78%	0.776	S	S	*	*			cis	-125.4	-147.6	-4.8	41.1	-20.6	0	0	0	112.7
307	E	33.4	Very low	30.3	Very low	152 Å²	152	139.5 Å²	139.5	71%	0.71	77%	0.774	S	S	*	*			cis	-159.6	172.2	3.2	-124.2	-143.6	175.9	0	0	107
308	T	29.1	Very low	30.1	Very low	84 Å²	84	140 Å²	140	52%	0.515	77%	0.767	S	S	.	*			cis	-158.9	175.6	-5.7	1.1	0	0	0	0	112
309	K	34.6	Very low	30.2	Very low	160 Å²	160	139.3 Å²	139.3	70%	0.696	76%	0.759	S	S	*	*			trans	72	112.2	142.7	-78.5	155.2	-169.5	151	0	122.6
310	Q	29.6	Very low	29.9	Very low	187 Å²	187	138.9 Å²	138.9	87%	0.874	75%	0.746	S	S	*	*			trans	70.5	130.2	139.3	-62.8	177.8	-9.1	0	0	118.1
311	S	27	Very low	30	Very low	105 Å²	105	135.7 Å²	135.7	73%	0.734	73%	0.73	S	S	*	*			cis	-160.2	136.5	9.5	-172.5	0	0	0	0	113.9
312	R	27.1	Very low	29.9	Very low	222 Å²	222	134.6 Å²	134.6	84%	0.838	72%	0.723	S	S	*	*			trans	60.6	90.1	157.1	-74	-176.5	168	176.5	-4	122.2
313	N	27.3	Very low	29.8	Very low	147 Å²	147	135 Å²	135	79%	0.786	73%	0.725	S	S	*	*				67.5	107.3	120.6	-57.7	12	0	0	0	122.5
314	P	38.5	Very low	29.6	Very low	118 Å²	118	134 Å²	134	77%	0.766	72%	0.721	S	S	*	*			trans	-88.2	-170.1	143.4	38.8	-32.9	0	0	0	111.4
315	P	29.7	Very low	29.2	Very low	132 Å²	132	132.5 Å²	132.5	86%	0.857	71%	0.713	S	S	*	*				-144.4	177.8	95	40.4	-25.2	0	0	0	116.2
316	L	23.8	Very low	29	Very low	153 Å²	153	130.5 Å²	130.5	80%	0.801	71%	0.712	S	S	*	*			trans	-142.6	169.1	179.1	-152.9	164.3	0	0	0	106.8
317	V	28.4	Very low	28.7	Very low	120 Å²	120	130.4 Å²	130.4	73%	0.727	71%	0.714	S	S	*	*			trans	76.2	128.8	175.6	-172.2	0	0	0	0	113.3
318	E	26.2	Very low	28.3	Very low	146 Å²	146	132 Å²	132	68%	0.682	72%	0.722	S	S	*	*			cis	100.6	118	12.5	-160.4	-175.3	-175.8	0	0	117.2
319	R	27.4	Very low	28.2	Very low	176 Å²	176	136.4 Å²	136.4	66%	0.664	74%	0.74	S	S	*	*			trans	66.1	111	154.1	-80.4	179.5	151.4	-143.7	-7.1	123.4
320	L	26.6	Very low	27.7	Very low	116 Å²	116	134.7 Å²	134.7	61%	0.607	75%	0.747	S	S	*	*				82.6	138.9	117.1	-72.7	170.1	0	0	0	122.7	I644 S645	L320-I644 CarbonylContact O-C 3.5Å; L320-S645 PolarHBondContact O-N 3.42Å
321	G	28.7	Very low	27.7	Very low	42 Å²	42	130.7 Å²	130.7	43%	0.433	74%	0.74	S	S	.	*			trans	105.6	142.8	160.5	0	0	0	0	0	113.9
322	V	27.1	Very low	27.6	Very low	105 Å²	105	130.3 Å²	130.3	64%	0.636	74%	0.737	S	S	*	*			cis	-153	132.2	4.9	102.5	0	0	0	0	107.1	V643	V322-V643 HydrophobicContact CB-CG1 4.42Å; V322-V643 HydrophobicContact CG2-CG1 4.11Å; V322-V643 HydrophobicContact CG2-CG2 3.87Å
323	V	27.4	Very low	27.5	Very low	123 Å²	123	128.5 Å²	128.5	75%	0.745	74%	0.736	S	S	*	*				63.6	131.4	104.5	168	0	0	0	0	112.4
324	D	27.7	Very low	27.5	Very low	137 Å²	137	128.9 Å²	128.9	73%	0.733	74%	0.737	S	S	*	*			cis	-158.2	178.8	34.6	-157.5	12.9	0	0	0	116.3
325	S	26	Very low	27.1	Very low	91 Å²	91	128.4 Å²	128.4	64%	0.636	74%	0.736	S	S	*	*			trans	77.7	107.2	138.8	-88.7	0	0	0	0	121.1
326	S	26.2	Very low	27.1	Very low	114 Å²	114	125.3 Å²	125.3	80%	0.797	73%	0.729	S	S	*	*			trans	-160.9	141.9	146.9	-82	0	0	0	0	111.7
327	S	29.7	Very low	27.4	Very low	109 Å²	109	124.9 Å²	124.9	76%	0.762	73%	0.727	S	S	*	*			trans	43	101.6	168.4	53.8	0	0	0	0	117.1
328	Q	25.8	Very low	27.4	Very low	185 Å²	185	125 Å²	125	86%	0.864	72%	0.723	S	S	*	*				41.9	107.4	65.5	-57.6	-172.3	0	0	0	115.3
329	I	27.5	Very low	27.6	Very low	177 Å²	177	126.9 Å²	126.9	91%	0.908	73%	0.729	S	S	*	*				-151.2	133.5	122.9	-96.4	150.2	0	0	0	106.1
330	C	22.9	Very low	27.6	Very low	123 Å²	123	123.8 Å²	123.8	83%	0.831	73%	0.734	S	S	*	*			trans	-114	173.6	-178.8	-157	0	0	0	0	110.8
331	S	29.6	Very low	27.7	Very low	104 Å²	104	121.8 Å²	121.8	73%	0.727	74%	0.741	S	S	*	*			trans	-74	-179.1	-173.6	59.9	0	0	0	0	114.6
332	S	26.9	Very low	27.6	Very low	97 Å²	97	127 Å²	127	68%	0.678	76%	0.759	S	S	*	*			trans	110.7	178.8	166.1	81.3	0	0	0	0	116.4
333	F	24.7	Very low	27.7	Very low	184 Å²	184	128.5 Å²	128.5	81%	0.807	76%	0.762	S	S	*	*			trans	88	124.1	-169.1	-59.3	-48.7	0	0	0	115.4
334	L	27.5	Very low	27.7	Very low	155 Å²	155	128.2 Å²	128.2	81%	0.812	76%	0.756	S	S	*	*			cis	-155.9	165.8	-0.8	-87	155.6	0	0	0	107.5
335	S	28.8	Very low	27.7	Very low	108 Å²	108	128.5 Å²	128.5	76%	0.755	76%	0.757	S	S	*	*			cis	-177.7	175.1	-19.1	-172.3	0	0	0	0	109.7
336	G	29.6	Very low	27.7	Very low	67 Å²	67	127.7 Å²	127.7	69%	0.691	76%	0.756	S	S	*	*			trans	92	77.7	161.4	0	0	0	0	0	116.7
337	N	30.7	Very low	27.8	Very low	143 Å²	143	128 Å²	128	77%	0.765	75%	0.753	S	S	*	*			cis	91.4	149	38.1	-160.8	9.1	0	0	0	114.5
338	L	28	Very low	27.6	Very low	123 Å²	123	129.3 Å²	129.3	64%	0.644	76%	0.757	S	S	*	*			trans	93.7	103	162.2	-56.4	167.1	0	0	0	120.8
339	K	31	Very low	27.7	Very low	185 Å²	185	125.2 Å²	125.2	80%	0.804	75%	0.749	S	S	*	*				75.5	150.1	127.5	-68.5	178.2	177.3	177.9	0	119.7
340	S	28.1	Very low	27.7	Very low	112 Å²	112	121 Å²	121	78%	0.783	74%	0.735	S	S	*	*			cis	-176.5	157.5	-15.4	49.6	0	0	0	0	111
341	G	28.2	Very low	28.1	Very low	73 Å²	73	123.8 Å²	123.8	75%	0.753	74%	0.736	S	S	*	*			trans	109.8	94.4	170.1	0	0	0	0	0	113.7
342	L	26.5	Very low	28.2	Very low	153 Å²	153	121.9 Å²	121.9	80%	0.801	73%	0.733	S	S	*	*			cis	97.1	117.3	15	-152.3	109.6	0	0	0	114.1
343	L	28.6	Very low	28.3	Very low	135 Å²	135	124.2 Å²	124.2	71%	0.707	75%	0.748	S	S	*	*			trans	76	149.4	163.9	-53.2	-171.7	0	0	0	118
344	D	27.7	Very low	28.5	Very low	117 Å²	117	118.8 Å²	118.8	63%	0.626	74%	0.743	S	S	*	*			cis	-163	167.1	-4.8	-126.6	-19.2	0	0	0	117.9
345	L	27.1	Very low	29	Very low	143 Å²	143	116.9 Å²	116.9	75%	0.749	74%	0.74	S	S	*	*			trans	49.8	164.6	148.1	-103.5	63	0	0	0	121.2
346	A	26.9	Very low	29.1	Very low	75 Å²	75	122.7 Å²	122.7	62%	0.62	75%	0.747	S	S	*	*			cis	-143	157.7	-6.7	0	0	0	0	0	108.9
347	T	26.9	Very low	29.1	Very low	120 Å²	120	126.7 Å²	126.7	74%	0.736	75%	0.752	S	S	*	*				59.9	139.4	58	-9.2	0	0	0	0	113.5
348	T	26.1	Very low	28.9	Very low	136 Å²	136	125.4 Å²	125.4	83%	0.834	75%	0.745	S	S	*	*			cis	-111.9	-160.4	5	51.9	0	0	0	0	112
349	S	27.8	Very low	29	Very low	100 Å²	100	127.5 Å²	127.5	70%	0.699	76%	0.757	S	S	*	*			cis	-138.1	-173.8	5.7	63.7	0	0	0	0	110
350	S	28	Very low	28.8	Very low	89 Å²	89	124.1 Å²	124.1	62%	0.622	76%	0.757	S	S	*	*			cis	76.5	126.7	26.4	-129.7	0	0	0	0	115.7
351	E	31.7	Very low	28.8	Very low	180 Å²	180	125.5 Å²	125.5	84%	0.841	76%	0.76	S	S	*	*			cis	-127.8	178.4	4.7	-90	98.6	-118.5	0	0	111.3
352	G	31.5	Very low	28.8	Very low	64 Å²	64	126.1 Å²	126.1	66%	0.66	75%	0.753	S	S	*	*			cis	157.3	148.7	-6.4	0	0	0	0	0	113.4
353	C	29.4	Very low	28.9	Very low	147 Å²	147	127.4 Å²	127.4	99%	0.993	76%	0.755	S	S	*	*			trans	61.4	153.7	174.6	-64.6	0	0	0	0	118.6
354	G	28.8	Very low	29.2	Very low	69 Å²	69	124.5 Å²	124.5	71%	0.711	75%	0.75	S	S	*	*			cis	178.4	148.7	-9.1	0	0	0	0	0	111.2
355	P	38.4	Very low	29.3	Very low	116 Å²	116	125 Å²	125	75%	0.753	75%	0.753	S	S	*	*			trans	-119.3	138.9	-162.3	38.9	-27.1	0	0	0	117.7
356	Y	29.1	Very low	29.8	Very low	229 Å²	229	129.4 Å²	129.4	90%	0.898	76%	0.761	S	S	*	*			trans	-159.5	158.5	166.6	-65.3	-63.7	0	0	0	108.2
357	L	30.4	Very low	30.1	Very low	151 Å²	151	134.4 Å²	134.4	79%	0.791	77%	0.771	S	S	*	*			cis	-157.2	-178.9	-9.1	-124.5	172.1	0	0	0	109.7
358	N	25.9	Very low	30.3	Very low	116 Å²	116	132.2 Å²	132.2	62%	0.62	77%	0.772	S	S	*	*			trans	-82.8	154.1	175.2	-62.8	-10.7	0	0	0	113.2
359	N	30.6	Very low	30.7	Very low	167 Å²	167	132.1 Å²	132.1	89%	0.893	77%	0.774	S	S	*	*				-174.9	152.3	124.2	-97.8	-13.1	0	0	0	113.6
360	S	26.7	Very low	31	Very low	114 Å²	114	136 Å²	136	80%	0.797	78%	0.781	S	S	*	*			trans	-95	160.8	176.7	-39.9	0	0	0	0	112.3
361	V	29.2	Very low	31.5	Very low	142 Å²	142	136 Å²	136	86%	0.861	78%	0.779	S	S	*	*			trans	-171.1	157.4	144.1	131.8	0	0	0	0	111.4
362	S	27.2	Very low	31.6	Very low	86 Å²	86	138 Å²	138	60%	0.601	78%	0.78	S	S	*	*			trans	-62.7	-170.3	175.7	-35.3	0	0	0	0	115
363	E	28.6	Very low	31.7	Very low	180 Å²	180	145.2 Å²	145.2	84%	0.841	79%	0.788	S	S	*	*			cis	-164.2	177.9	10.8	-131.2	135.1	63.4	0	0	106.8
364	A	34.9	Very low	32	Very low	73 Å²	73	143.4 Å²	143.4	60%	0.603	77%	0.774	S	S	*	*			cis	-158.1	166.3	3.8	0	0	0	0	0	111.5
365	D	30.8	Very low	32	Very low	127 Å²	127	145.3 Å²	145.3	68%	0.679	78%	0.777	S	S	*	*			trans	29.5	138	143.2	-55.2	-20.5	0	0	0	125
366	Y	36.9	Very low	31.6	Very low	237 Å²	237	148.5 Å²	148.5	93%	0.929	78%	0.779	S	S	*	*				-160.7	145.3	107.3	-114.4	-79	0	0	0	112.3
367	H	32.6	Very low	31.7	Very low	179 Å²	179	143.7 Å²	143.7	83%	0.829	78%	0.776	S	S	*	*			trans	-95.8	157.3	-169.7	-70.5	-84.3	0	0	0	116.4
368	G	32.4	Very low	31.5	Very low	74 Å²	74	142.9 Å²	142.9	76%	0.763	78%	0.777	S	S	*	*			trans	-173.2	131.4	163.3	0	0	0	0	0	113.3
369	P	33.7	Very low	31.8	Very low	135 Å²	135	142.1 Å²	142.1	88%	0.877	78%	0.781	S	S	*	*			trans	-114.6	167.5	-160.1	41.4	-35	0	0	0	119.1
370	H	34.7	Very low	31.7	Very low	182 Å²	182	141.2 Å²	141.2	84%	0.843	77%	0.771	S	S	*	*			trans	-65.3	176.2	165.9	-110.9	-37.3	0	0	0	113.1
371	P	37.7	Very low	31.6	Very low	89 Å²	89	145.5 Å²	145.5	58%	0.578	78%	0.775	S	S	*	*			cis	-151.4	-177.9	41.7	40.1	-16.8	0	0	0	118.4
372	Y	34.7	Very low	31.6	Very low	221 Å²	221	149.4 Å²	149.4	87%	0.867	77%	0.774	S	S	*	*				166.6	135.6	119.4	-94.9	-69.2	0	0	0	114.7
373	R	33.9	Very low	31.4	Very low	215 Å²	215	155.5 Å²	155.5	81%	0.811	79%	0.785	S	S	*	*			trans	-130.6	168.9	163.3	-155.8	-169.7	-176.6	-178.2	4.1	106.2
374	P	34.2	Very low	31.3	Very low	110 Å²	110	156.7 Å²	156.7	71%	0.714	79%	0.788	S	S	*	*				-162	-176.8	93.1	43.5	-23.1	0	0	0	117.6
375	S	28.6	Very low	30.9	Very low	109 Å²	109	160.9 Å²	160.9	76%	0.762	80%	0.8	S	S	*	*			trans	76.7	117.6	146.4	-59.6	0	0	0	0	123.4
376	F	30.6	Very low	30.7	Very low	183 Å²	183	163 Å²	163	80%	0.803	81%	0.805	S	S	*	*			trans	-85.8	175.8	148.1	-81	-95.5	0	0	0	110.9
377	P	30.8	Very low	30.2	Very low	128 Å²	128	160.4 Å²	160.4	83%	0.831	80%	0.801	S	S	*	*			trans	-126.8	136.1	136.7	35.8	-27.2	0	0	0	113.7
378	V	27.9	Very low	30.2	Very low	133 Å²	133	154.7 Å²	154.7	81%	0.806	78%	0.78	S	S	*	*			trans	-106.1	139.4	164.9	170.1	0	0	0	0	108.3
379	S	30.2	Very low	30.1	Very low	101 Å²	101	160.3 Å²	160.3	71%	0.706	78%	0.778	S	S	*	*			trans	-163.9	129.8	161.5	-98.8	0	0	0	0	117.2
380	H	28.9	Very low	30	Very low	148 Å²	148	157.2 Å²	157.2	69%	0.685	76%	0.757	S	S	*	*			trans	64.8	98.8	138.7	-69.6	87.3	0	0	0	121.3
381	K	25.9	Very low	29.8	Very low	203 Å²	203	152.8 Å²	152.8	88%	0.883	75%	0.752	S	S	*	*			trans	-66.8	139.8	141.9	-69	177.4	176.9	175.7	0	109.9
382	R	27.6	Very low	29.4	Very low	225 Å²	225	152.3 Å²	152.3	85%	0.849	76%	0.763	S	S	*	*			trans	-142	142.7	153	-78.8	-168.2	174.6	157.8	1.3	110.2
383	Y	23.7	Very low	29.2	Very low	213 Å²	213	149.6 Å²	149.6	84%	0.835	76%	0.758	S	S	*	*			trans	-81.8	157.6	172.6	-64.7	-100.6	0	0	0	110.6
384	F	27	Very low	29.2	Very low	206 Å²	206	145.9 Å²	145.9	90%	0.904	75%	0.75	S	S	*	*				-171.3	118.6	128.8	-102.6	-65.2	0	0	0	113.8
385	L	26.6	Very low	29	Very low	161 Å²	161	148.2 Å²	148.2	84%	0.843	75%	0.751	S	S	*	*			trans	29.8	148	143.7	-147.6	64.1	0	0	0	124.5
386	H	25.3	Very low	29	Very low	170 Å²	170	147.2 Å²	147.2	79%	0.787	74%	0.744	S	S	*	*			trans	-70.7	151.3	171.2	-60	-106.4	0	0	0	114.9
387	Q	27.8	Very low	28.9	Very low	183 Å²	183	143.2 Å²	143.2	86%	0.855	74%	0.739	S	S	*	*				178.5	159.9	104.9	-96.4	-173.2	5.3	0	0	113.7
388	P	32.8	Very low	29	Very low	59 Å²	59	143.4 Å²	143.4	38%	0.383	73%	0.733	S	S	.	*			trans	-140.9	167.5	176.1	26.7	-1.5	0	0	0	117.7	E884 Q885	P388-E884 WeakPolarHBondContact CA-OE1 3.38Å; P388-E884 HydrophobicContact CB-CB 4.15Å; P388-E884 HydrophobicContact CB-CG 3.51Å; P388-Q885 VanDerWaalsContact C-CG 3.49Å; P388-Q885 HydrophobicContact CB-CG 3.65Å; P388-Q885 HydrophobicContact CG-CG 3.57Å; P388-Q885 VanDerWaalsContact O-CG 3.28Å; P388-Q885 WeakPolarHBondContact O-CG 3.41Å; P388-Q885 PolarHBondContact O-OE1 2.87Å; P388-Q885 VanDerWaalsContact O-OE1 3.05Å
389	R	29.4	Very low	29.2	Very low	192 Å²	192	145 Å²	145	73%	0.725	73%	0.732	S	S	*	*			trans	-164.9	109	159.2	-153.9	168.7	-166.2	109.6	8.1	123	E884	R389-E884 VanDerWaalsContact C-CB 3.45Å; R389-E884 PolarHBondContact N-OE1 3.3Å; R389-E884 PolarHBondContact N-OE2 3.31Å
390	V	31.8	Very low	29.3	Very low	71 Å²	71	144.8 Å²	144.8	43%	0.43	73%	0.73	S	S	.	*			trans	26.5	133.6	149.2	-139.8	0	0	0	0	125.6	E884 Q885	V390-E884 WeakPolarHBondContact CA-O 3.39Å; V390-E884 VanDerWaalsContact N-CB 3.33Å; V390-E884 PolarHBondContact N-O 3.37Å; V390-Q885 HydrophobicContact CB-CB 4.49Å; V390-Q885 HydrophobicContact CG2-CB 3.43Å; V390-Q885 VanDerWaalsContact CG2-CB 3.43Å
391	A	30.3	Very low	29.4	Very low	88 Å²	88	144.3 Å²	144.3	73%	0.727	74%	0.737	S	S	*	*				138.1	130.7	114.1	0	0	0	0	0	121.8
392	G	29.8	Very low	29.7	Very low	79 Å²	79	137.9 Å²	137.9	81%	0.814	73%	0.729	S	S	*	*			trans	79	161.7	149.9	0	0	0	0	0	120.4
393	Q	30.7	Very low	29.9	Very low	165 Å²	165	136 Å²	136	77%	0.771	73%	0.731	S	S	*	*			cis	-168.2	145.6	-13.8	-143.9	-178.2	-15.1	0	0	113
394	H	33.7	Very low	30.2	Very low	136 Å²	136	131.3 Å²	131.3	63%	0.63	72%	0.717	S	S	*	*			trans	67.2	129.1	153.5	-73.8	-46.3	0	0	0	127.3
395	Q	30.3	Very low	30.5	Very low	159 Å²	159	127.4 Å²	127.4	74%	0.743	72%	0.715	S	S	*	*			trans	69.5	150.4	132.3	-66.6	177.5	70.5	0	0	121.4
396	S	28.1	Very low	30.9	Very low	89 Å²	89	125.3 Å²	125.3	62%	0.622	70%	0.7	S	S	*	*			cis	-172.7	161.6	-13.4	51.9	0	0	0	0	113.4
397	S	29.1	Very low	31.3	Very low	99 Å²	99	127.1 Å²	127.1	69%	0.692	70%	0.701	S	S	*	*			trans	65.9	156.4	152.4	62.5	0	0	0	0	120.6
398	N	32.5	Very low	31.4	Very low	132 Å²	132	121.8 Å²	121.8	71%	0.706	70%	0.695	S	S	*	*			cis	-169.3	148.3	-11.1	-104.7	-0.2	0	0	0	113.1
399	H	32.1	Very low	31.3	Very low	167 Å²	167	125.7 Å²	125.7	77%	0.773	71%	0.712	S	S	*	*			trans	53.8	165.8	153.9	-62.5	-60.4	0	0	0	120.7
400	S	31.7	Very low	31.4	Very low	96 Å²	96	122.3 Å²	122.3	67%	0.671	71%	0.713	S	S	*	*			cis	-156	136.7	-4.7	-122.1	0	0	0	0	110.2
401	V	30.6	Very low	31.3	Very low	138 Å²	138	125.2 Å²	125.2	84%	0.836	73%	0.73	S	S	*	*				74.3	123.3	93.4	179.2	0	0	0	0	119
402	G	32.3	Very low	31.3	Very low	68 Å²	68	124.8 Å²	124.8	70%	0.701	73%	0.734	S	S	*	*			trans	113.1	147.9	154.6	0	0	0	0	0	117.1
403	M	32.3	Very low	31.3	Very low	185 Å²	185	126.4 Å²	126.4	91%	0.911	73%	0.733	S	S	*	*			cis	-157.4	165.2	-8	-107.1	-58.8	-180	0	0	111.8
404	E	30.5	Very low	31.2	Very low	115 Å²	115	125.5 Å²	125.5	54%	0.537	73%	0.732	S	S	.	*			trans	-83.3	160.7	179.4	-65	-172.6	64.6	0	0	115.1	K406	E404-K406 WeakPolarHBondContact OE1-CE 3.22Å; E404-K406 IonicContact OE1-NZ 3.19Å; E404-K406 PolarHBondContact OE1-NZ 2.91Å; E404-K406 IonicContact OE2-NZ 2.76Å
405	S	33.9	Very low	31.1	Very low	123 Å²	123	126.5 Å²	126.5	86%	0.86	74%	0.737	S	S	*	*				-166.1	179.1	125.1	53.9	0	0	0	0	112.9
406	K	33.9	Very low	31	Very low	118 Å²	118	123.8 Å²	123.8	51%	0.513	73%	0.732	S	S	.	*			trans	-153	175.9	-138.8	-87	169.7	165.6	147.9	0	114.5	E404	E404-K406 WeakPolarHBondContact OE1-CE 3.22Å; E404-K406 IonicContact OE1-NZ 3.19Å; E404-K406 PolarHBondContact OE1-NZ 2.91Å; E404-K406 IonicContact OE2-NZ 2.76Å
407	Y	33	Very low	31	Very low	208 Å²	208	129.7 Å²	129.7	82%	0.816	75%	0.746	S	S	*	*			trans	72.8	154	167.7	-35	-70.2	0	0	0	113.8
408	G	31.3	Very low	30.9	Very low	70 Å²	70	128.1 Å²	128.1	72%	0.722	75%	0.745	S	S	*	*			cis	-177.9	-171.9	-2.1	0	0	0	0	0	109.4
409	L	30.7	Very low	30.7	Very low	142 Å²	142	130.6 Å²	130.6	74%	0.743	75%	0.752	S	S	*	*			cis	-175	148.1	-15.4	-106.7	166	0	0	0	109.3
410	T	31.5	Very low	30.4	Very low	121 Å²	121	128 Å²	128	74%	0.742	75%	0.748	S	S	*	*			trans	63.5	163.9	156.5	59.4	0	0	0	0	120.3
411	T	29.7	Very low	30.4	Very low	131 Å²	131	127.9 Å²	127.9	80%	0.804	75%	0.753	S	S	*	*			cis	-166	146.3	-27.6	31.3	0	0	0	0	111.6
412	G	29.9	Very low	30.2	Very low	79 Å²	79	129.9 Å²	129.9	81%	0.814	75%	0.753	S	S	*	*			trans	74.4	173.5	155.1	0	0	0	0	0	118
413	S	29.4	Very low	30.4	Very low	113 Å²	113	131.4 Å²	131.4	79%	0.79	75%	0.751	S	S	*	*			cis	-177.3	-178.7	-27.4	-167.6	0	0	0	0	108.6
414	I	29	Very low	30.2	Very low	147 Å²	147	129.2 Å²	129.2	75%	0.754	74%	0.741	S	S	*	*			trans	83.8	108.2	157	-66.5	171	0	0	0	120
415	H	31	Very low	30.1	Very low	157 Å²	157	132 Å²	132	73%	0.727	75%	0.754	S	S	*	*			trans	82.4	106.8	136	-86.2	-114.6	0	0	0	127
416	T	29.2	Very low	29.8	Very low	102 Å²	102	130.7 Å²	130.7	63%	0.626	75%	0.745	S	S	*	*				58.5	138.6	119.2	65.8	0	0	0	0	124.8
417	K	27.9	Very low	29.7	Very low	213 Å²	213	135.4 Å²	135.4	93%	0.926	77%	0.766	S	S	*	*			trans	70.9	150	166.4	-58.5	169.9	-177.2	176.8	0	114.5
418	G	26.5	Very low	29.6	Very low	66 Å²	66	128.3 Å²	128.3	68%	0.68	76%	0.756	S	S	*	*			cis	162.8	161.2	-5.2	0	0	0	0	0	110.7
419	H	28.9	Very low	29.6	Very low	184 Å²	184	136 Å²	136	85%	0.852	77%	0.765	S	S	*	*			trans	63.4	167	-173.9	-100	-129.5	0	0	0	114.4
420	V	26	Very low	29.6	Very low	113 Å²	113	133.2 Å²	133.2	69%	0.685	76%	0.757	S	S	*	*			cis	-175.9	160.2	-43.2	128	0	0	0	0	107.3
421	A	30.4	Very low	29.3	Very low	93 Å²	93	133.9 Å²	133.9	77%	0.769	76%	0.76	S	S	*	*			trans	78.3	142.1	168.5	0	0	0	0	0	119.1
422	E	26.6	Very low	29.3	Very low	179 Å²	179	136.3 Å²	136.3	84%	0.836	76%	0.762	S	S	*	*			trans	-93.1	-157.4	164.5	-32.7	176.5	120.5	0	0	109.2
423	P	36.4	Very low	29.2	Very low	101 Å²	101	137.1 Å²	137.1	66%	0.656	76%	0.756	S	S	*	*			cis	-119.7	-166.8	-47.5	26.9	-7.7	0	0	0	109.2
424	I	28.2	Very low	29.4	Very low	139 Å²	139	139 Å²	139	71%	0.713	76%	0.757	S	S	*	*				169.7	146.1	122.3	-89.3	165.2	0	0	0	111.4
425	Q	29.1	Very low	29.3	Very low	173 Å²	173	139.8 Å²	139.8	81%	0.808	76%	0.755	S	S	*	*			trans	1.6	160.2	153.8	-58.5	166.7	-1.5	0	0	120.5
426	S	28.1	Very low	29.2	Very low	95 Å²	95	139 Å²	139	66%	0.664	75%	0.751	S	S	*	*			cis	-175.8	164.3	-20.7	59.6	0	0	0	0	106.9
427	F	30.3	Very low	29.1	Very low	218 Å²	218	142.9 Å²	142.9	96%	0.956	76%	0.759	S	S	*	*			trans	-159.9	144.8	145.5	-105.4	-69.6	0	0	0	109.7
428	G	31.7	Very low	29.1	Very low	59 Å²	59	135.5 Å²	135.5	61%	0.608	74%	0.744	S	S	*	*			trans	-166.9	175.7	173.9	0	0	0	0	0	109.1
429	Y	31.2	Very low	29.3	Very low	230 Å²	230	138.7 Å²	138.7	90%	0.902	75%	0.746	S	S	*	*			trans	172.7	160.9	161.2	-113.5	-126.1	0	0	0	105.9
430	C	29.9	Very low	29.5	Very low	85 Å²	85	137.4 Å²	137.4	57%	0.574	74%	0.74	S	S	*	*			cis	-134.8	158.5	1.9	-165.7	0	0	0	0	110
431	V	26.9	Very low	30	Very low	134 Å²	134	137 Å²	137	81%	0.812	74%	0.738	S	S	*	*			trans	-128.8	138.1	162.4	170.2	0	0	0	0	106.1
432	E	29.8	Very low	30.1	Very low	183 Å²	183	138.9 Å²	138.9	86%	0.855	74%	0.735	S	S	*	*			trans	-133.9	138.3	174.3	-153	153.6	-130.8	0	0	110.4
433	S	27	Very low	30.6	Very low	96 Å²	96	140.7 Å²	140.7	67%	0.671	74%	0.74	S	S	*	*			trans	-138.2	128.5	-159.3	60	0	0	0	0	112.1
434	N	32.9	Very low	30.5	Very low	153 Å²	153	140.9 Å²	140.9	82%	0.818	74%	0.743	S	S	*	*			trans	-157	163.8	163.8	-80.3	-60.3	0	0	0	109.4
435	K	26.7	Very low	30.6	Very low	163 Å²	163	137.7 Å²	137.7	71%	0.709	74%	0.738	S	S	*	*			cis	176.8	142.8	-39.5	-149.8	-173.3	-179.6	-179.5	0	105.1
436	E	29.2	Very low	30.7	Very low	140 Å²	140	137.6 Å²	137.6	65%	0.654	74%	0.742	S	S	*	*			trans	64.2	163.8	171.5	-55.5	-174	97.5	0	0	114.3
437	K	26.9	Very low	30.6	Very low	183 Å²	183	138.9 Å²	138.9	80%	0.796	74%	0.741	S	S	*	*			cis	-161.9	165.6	-24.8	-110.1	170.6	-179.8	158.6	0	106.8
438	G	29.2	Very low	30.5	Very low	59 Å²	59	135.6 Å²	135.6	61%	0.608	73%	0.733	S	S	*	*			trans	106.2	91.9	151.7	0	0	0	0	0	118.2
439	D	29.7	Very low	30.4	Very low	133 Å²	133	136.6 Å²	136.6	71%	0.711	74%	0.736	S	S	*	*				66	122.6	108.8	-64.6	-37.2	0	0	0	123.7
440	H	34.5	Very low	30.5	Very low	157 Å²	157	133.6 Å²	133.6	73%	0.727	74%	0.735	S	S	*	*			trans	80.7	145.2	132.8	-62.1	9.6	0	0	0	118.1
441	T	35	Very low	30.5	Very low	105 Å²	105	135.1 Å²	135.1	64%	0.644	74%	0.736	S	S	*	*			cis	-160.2	157.6	-7.8	13.3	0	0	0	0	112.2
442	N	33.4	Very low	30.6	Very low	131 Å²	131	139.6 Å²	139.6	70%	0.701	74%	0.738	S	S	*	*			trans	52.8	117	144	-58.5	-20.4	0	0	0	121.2
443	K	37	Very low	30.5	Very low	217 Å²	217	134 Å²	134	94%	0.943	73%	0.731	S	S	*	*				-148.5	150.4	92.2	-102.9	166	-174.2	175.8	0	110.8
444	S	34.3	Very low	30.7	Very low	105 Å²	105	135.6 Å²	135.6	73%	0.734	74%	0.741	S	S	*	*			trans	-150.4	-173.5	-160.4	59.1	0	0	0	0	112.1
445	A	30.5	Very low	30.5	Very low	72 Å²	72	133.4 Å²	133.4	60%	0.595	74%	0.738	S	S	*	*			trans	88.6	87.8	158.1	0	0	0	0	0	119.4	L447	A445-L447 HydrophobicContact CB-CD1 4.41Å
446	L	30.4	Very low	30.7	Very low	172 Å²	172	134 Å²	134	90%	0.901	75%	0.747	S	S	*	*				-157.9	61.2	124	-125.7	166	0	0	0	110
447	L	25.9	Very low	30.4	Very low	121 Å²	121	131.9 Å²	131.9	63%	0.634	75%	0.748	S	S	*	*				64.7	105.6	95.3	-79.5	172.1	0	0	0	115.7	A445 A449	A445-L447 HydrophobicContact CB-CD1 4.41Å; L447-A449 PolarHBondContact O-N 3.49Å
448	N	27.8	Very low	30.6	Very low	150 Å²	150	131.3 Å²	131.3	80%	0.802	75%	0.748	S	S	*	*				38.5	80.9	125	-64.6	-18.2	0	0	0	118
449	A	31.3	Very low	30.4	Very low	80 Å²	80	135.5 Å²	135.5	66%	0.661	76%	0.757	S	S	*	*			trans	-136.2	126.5	156.6	0	0	0	0	0	110.6	L447	L447-A449 PolarHBondContact O-N 3.49Å
450	L	33.2	Very low	30.3	Very low	167 Å²	167	133.3 Å²	133.3	87%	0.874	75%	0.752	S	S	*	*			trans	55.5	60.7	152.7	-50.4	175	0	0	0	115.4
451	L	28.5	Very low	30.2	Very low	117 Å²	117	132.6 Å²	132.6	61%	0.613	75%	0.753	S	S	*	*				58.5	112.7	61	-75	169.1	0	0	0	116
452	R	30.4	Very low	29.9	Very low	227 Å²	227	132.4 Å²	132.4	86%	0.857	76%	0.756	S	S	*	*			trans	70.1	147	158.6	-47.9	163.8	-137.5	-100.9	2.9	115
453	G	27.1	Very low	30.4	Very low	67 Å²	67	131.3 Å²	131.3	69%	0.691	76%	0.756	S	S	*	*			cis	133.9	141.8	-1.7	0	0	0	0	0	112.4
454	S	30.4	Very low	30.1	Very low	128 Å²	128	126.1 Å²	126.1	90%	0.895	75%	0.747	S	S	*	*			trans	86.3	124.4	172.1	-54.3	0	0	0	0	119.3
455	S	28.5	Very low	30.1	Very low	108 Å²	108	127.8 Å²	127.8	76%	0.755	75%	0.748	S	S	*	*			trans	-40.9	153.3	163.4	53.2	0	0	0	0	118.5
456	I	31	Very low	30.3	Very low	174 Å²	174	129 Å²	129	89%	0.892	75%	0.751	S	S	*	*			trans	-155.2	165.8	130.2	-113.4	162.9	0	0	0	110.8
457	S	24.6	Very low	30.5	Very low	96 Å²	96	127.6 Å²	127.6	67%	0.671	74%	0.742	S	S	*	*			trans	-117.9	177.7	-171.1	58.6	0	0	0	0	113.1
458	Q	29.9	Very low	30.9	Very low	171 Å²	171	127.9 Å²	127.9	80%	0.799	74%	0.744	S	S	*	*			trans	100.3	100.8	163.9	-53.3	-164.7	20.4	0	0	119.6
459	N	25.8	Very low	31.1	Very low	148 Å²	148	126 Å²	126	79%	0.791	74%	0.738	S	S	*	*				74.9	145.5	106.7	-153.2	18.6	0	0	0	122.3
460	S	27.9	Very low	31.2	Very low	86 Å²	86	127.6 Å²	127.6	60%	0.601	74%	0.744	S	S	*	*			trans	101.7	125.9	147.6	79.4	0	0	0	0	122.2
461	N	30.4	Very low	31.2	Very low	142 Å²	142	123.3 Å²	123.3	76%	0.759	73%	0.733	S	S	*	*			trans	69	108.1	141.8	-54.4	-8.2	0	0	0	120.8
462	S	29.9	Very low	31.2	Very low	101 Å²	101	127 Å²	127	71%	0.706	74%	0.744	S	S	*	*				71.2	154.7	61.6	78.5	0	0	0	0	115.9
463	P	42.7	Very low	31.2	Very low	108 Å²	108	122.8 Å²	122.8	70%	0.701	73%	0.734	S	S	*	*			cis	-144.6	-156.2	-36.1	40.9	-20.9	0	0	0	113.1
464	S	31.1	Very low	31.3	Very low	109 Å²	109	126.7 Å²	126.7	76%	0.762	74%	0.735	S	S	*	*			trans	72.3	145.7	159.6	71	0	0	0	0	117.5
465	D	35.4	Very low	31.2	Very low	139 Å²	139	126.1 Å²	126.1	74%	0.743	73%	0.726	S	S	*	*			cis	-148.6	-161.9	3.2	-150.1	36.8	0	0	0	109.4
466	C	33	Very low	31.3	Very low	97 Å²	97	125.6 Å²	125.6	66%	0.655	72%	0.722	S	S	*	*			cis	-162.4	145.9	10.9	169.3	0	0	0	0	110.6
467	M	35.5	Very low	31.1	Very low	144 Å²	144	127 Å²	127	71%	0.709	72%	0.722	S	S	*	*			trans	19.1	154.4	150.5	-49.2	-52.8	179.7	0	0	123.3
468	D	34.5	Very low	31.2	Very low	126 Å²	126	128 Å²	128	67%	0.674	73%	0.728	S	S	*	*			cis	-157.6	160.6	2.5	-136.4	-46	0	0	0	116.3
469	T	32.6	Very low	31	Very low	111 Å²	111	125 Å²	125	68%	0.681	73%	0.725	S	S	*	*			trans	41.7	129	152.3	14.7	0	0	0	0	127
470	S	32.9	Very low	31.1	Very low	113 Å²	113	123 Å²	123	79%	0.79	72%	0.723	S	S	*	*			trans	85.1	137	134.4	75.3	0	0	0	0	120.9
471	A	32.4	Very low	31.1	Very low	78 Å²	78	124.4 Å²	124.4	65%	0.645	73%	0.73	S	S	*	*			cis	-163.7	154.2	-18.3	0	0	0	0	0	112.6
472	F	29.3	Very low	30.9	Very low	193 Å²	193	124.7 Å²	124.7	85%	0.846	73%	0.731	S	S	*	*			trans	59.9	138.5	163.2	-67.6	-68.2	0	0	0	118.6
473	Q	30.5	Very low	30.7	Very low	139 Å²	139	126.7 Å²	126.7	65%	0.65	73%	0.733	S	S	*	*			cis	-160	146.6	-7.9	-169.2	165.3	-17.2	0	0	110
474	E	29.2	Very low	29.8	Very low	150 Å²	150	126.7 Å²	126.7	70%	0.701	73%	0.734	S	S	*	*			trans	23.4	147.8	154.5	-59.5	178.8	107	0	0	123.3
475	T	27.7	Very low	29.5	Very low	116 Å²	116	127.8 Å²	127.8	71%	0.712	73%	0.732	S	S	*	*			cis	-167.9	159.4	-20.3	29.9	0	0	0	0	110.6
476	S	30.1	Very low	29.2	Very low	96 Å²	96	126.5 Å²	126.5	67%	0.671	74%	0.74	S	S	*	*			trans	71	113.8	147.1	68.5	0	0	0	0	123.6
477	K	28.4	Very low	28.8	Very low	204 Å²	204	128.5 Å²	128.5	89%	0.887	74%	0.744	S	S	*	*				75.1	140.9	123.7	-66.5	176.8	179.9	173.8	0	122.6
478	C	25.3	Very low	28.3	Very low	118 Å²	118	126.6 Å²	126.6	80%	0.797	74%	0.744	S	S	*	*			trans	75.6	92.1	158.4	-80.5	0	0	0	0	120.8
479	S	26.5	Very low	27.9	Very low	106 Å²	106	127.5 Å²	127.5	74%	0.741	75%	0.749	S	S	*	*				49.5	120.1	119.2	-51.2	0	0	0	0	121.2
480	S	27.1	Very low	27.7	Very low	108 Å²	108	128 Å²	128	76%	0.755	76%	0.757	S	S	*	*			trans	61.2	86.9	155.3	47.3	0	0	0	0	117.8
481	P	29	Very low	27.5	Very low	114 Å²	114	125.8 Å²	125.8	74%	0.74	75%	0.753	S	S	*	*			trans	-70.9	157.3	159.2	37.8	-37.9	0	0	0	109.5
482	L	25.8	Very low	27.2	Very low	149 Å²	149	129.7 Å²	129.7	78%	0.78	76%	0.763	S	S	*	*				55.9	122.2	59.2	-61	175	0	0	0	112.3
483	L	26	Very low	27.1	Very low	143 Å²	143	124.5 Å²	124.5	75%	0.749	75%	0.749	S	S	*	*	S	Bend		64.5	106.2	77.4	-118.8	174	0	0	0	113.4
484	C	24.4	Very low	26.9	Very low	108 Å²	108	126.1 Å²	126.1	73%	0.73	75%	0.754	S	S	*	*			trans	70.1	152.6	169.7	-68.7	0	0	0	0	120
485	N	24.7	Very low	26.8	Very low	132 Å²	132	125.6 Å²	125.6	71%	0.706	76%	0.756	S	S	*	*			trans	73.8	86	166.3	-59.6	-14.8	0	0	0	119.2
486	A	27.9	Very low	26.8	Very low	112 Å²	112	125.7 Å²	125.7	93%	0.926	76%	0.762	S	S	*	*			trans	-97	63.5	138.8	0	0	0	0	0	109.9	S488	A486-S488 PolarHBondContact O-N 3.03Å
487	L	24.5	Very low	27	Very low	139 Å²	139	126.3 Å²	126.3	73%	0.728	77%	0.766	S	S	*	*			trans	-77.3	108.1	168	-90.4	170.1	0	0	0	108.9
488	S	25.8	Very low	27.3	Very low	103 Å²	103	121.5 Å²	121.5	72%	0.72	76%	0.756	S	S	*	*			trans	-169	128.3	152.2	-87.9	0	0	0	0	114.1	A486	A486-S488 PolarHBondContact O-N 3.03Å
489	N	25.8	Very low	27.4	Very low	146 Å²	146	122.5 Å²	122.5	78%	0.781	75%	0.753	S	S	*	*			trans	73.9	135.6	150.2	-56.3	-22.6	0	0	0	120.8
490	S	28.7	Very low	27.8	Very low	120 Å²	120	125.7 Å²	125.7	84%	0.839	75%	0.754	S	S	*	*			trans	47.6	105.4	165.9	53.1	0	0	0	0	117.7
491	G	29.4	Very low	28.1	Very low	68 Å²	68	127.9 Å²	127.9	70%	0.701	75%	0.752	S	S	*	*			cis	107.7	138.8	-1.1	0	0	0	0	0	114.5
492	N	26.4	Very low	28	Very low	160 Å²	160	129 Å²	129	86%	0.856	75%	0.751	S	S	*	*			trans	62.4	141.3	166.9	-62.4	-1.3	0	0	0	118.4
493	C	25.5	Very low	28.4	Very low	83 Å²	83	129.3 Å²	129.3	56%	0.561	75%	0.751	S	S	*	*			cis	-169.8	-177.5	-10.8	-110.3	0	0	0	0	109.5
494	F	26.9	Very low	28.5	Very low	174 Å²	174	129.4 Å²	129.4	76%	0.763	75%	0.748	S	S	*	*			trans	72.5	113.3	162.6	-54.1	-62.2	0	0	0	115.8
495	D	26.3	Very low	28.9	Very low	138 Å²	138	131 Å²	131	74%	0.738	75%	0.748	S	S	*	*				74.9	119.9	63.3	-75.8	-43.7	0	0	0	114
496	S	29.1	Very low	29.1	Very low	118 Å²	118	130.6 Å²	130.6	83%	0.825	75%	0.746	S	S	*	*				179	114.9	112.3	-76.6	0	0	0	0	111.6
497	S	33	Very low	29.4	Very low	109 Å²	109	132.2 Å²	132.2	76%	0.762	74%	0.739	S	S	*	*			trans	-75.2	162.7	159.9	-173.6	0	0	0	0	109.9
498	P	34.8	Very low	29.8	Very low	104 Å²	104	129.7 Å²	129.7	68%	0.675	73%	0.733	S	S	*	*				-147.1	136.8	111.2	34.3	-18.2	0	0	0	116.6
499	N	28.6	Very low	30.4	Very low	138 Å²	138	130 Å²	130	74%	0.738	74%	0.735	S	S	*	*				39.9	135.7	128.7	-58.2	-64.3	0	0	0	120.8
500	K	34.3	Very low	30.8	Very low	173 Å²	173	129.7 Å²	129.7	75%	0.752	73%	0.734	S	S	*	*				-174.1	136.3	98.5	-103.9	170.2	-175.5	178.2	0	116.2
501	H	34.2	Very low	31.2	Very low	154 Å²	154	132.7 Å²	132.7	71%	0.713	73%	0.732	S	S	*	*			trans	63	149.6	155.9	-61.4	-61.8	0	0	0	120
502	L	26.5	Very low	31.4	Very low	139 Å²	139	134.3 Å²	134.3	73%	0.728	73%	0.732	S	S	*	*			cis	-169	169.8	-35.1	-151.4	71.3	0	0	0	108.4
503	I	32.9	Very low	31.8	Very low	154 Å²	154	131.9 Å²	131.9	79%	0.79	72%	0.723	S	S	*	*			trans	76.9	139.6	164.2	-57.3	157	0	0	0	115.6
504	H	28.9	Very low	32.2	Very low	145 Å²	145	136.6 Å²	136.6	67%	0.671	74%	0.737	S	S	*	*			cis	-168.2	170.6	-36.5	-153.3	-100.8	0	0	0	109
505	L	32.5	Very low	32.4	Very low	141 Å²	141	132.3 Å²	132.3	74%	0.738	73%	0.734	S	S	*	*			trans	72.5	112.5	172	-50.8	169.4	0	0	0	114.2
506	N	28.6	Very low	32.8	Very low	124 Å²	124	135.3 Å²	135.3	66%	0.663	74%	0.74	S	S	*	*				82.2	104.5	51.8	-69.5	14.9	0	0	0	113.5
507	D	35.1	Very low	32.9	Very low	147 Å²	147	139.6 Å²	139.6	79%	0.786	74%	0.744	S	S	*	*				179.8	163.4	95.2	-96	-22.4	0	0	0	111.2
508	S	33.1	Very low	32.9	Very low	86 Å²	86	137.8 Å²	137.8	60%	0.601	74%	0.742	S	S	*	*			cis	-170.3	146.2	-39.4	-106.9	0	0	0	0	110.2
509	S	37.1	Very low	32.7	Very low	109 Å²	109	137.5 Å²	137.5	76%	0.762	74%	0.743	S	S	*	*			trans	73.8	153	162.7	96.8	0	0	0	0	117.4
510	N	35	Very low	32.8	Very low	140 Å²	140	137.9 Å²	137.9	75%	0.749	75%	0.745	S	S	*	*			cis	-154.8	157.6	-4.2	-139.3	-27.1	0	0	0	115.8
511	K	37.2	Very low	32.5	Very low	182 Å²	182	136.7 Å²	136.7	79%	0.791	75%	0.746	S	S	*	*			trans	84.6	-166.1	165.8	-62	173.5	-176.8	173.7	0	116.9
512	S	33.7	Very low	32.1	Very low	102 Å²	102	135.7 Å²	135.7	71%	0.713	75%	0.745	S	S	*	*				-171.6	170.1	-120.6	48.2	0	0	0	0	110.4
513	V	34	Very low	32.2	Very low	109 Å²	109	134 Å²	134	66%	0.661	74%	0.741	S	S	*	*				-166.4	125.7	59.9	162.1	0	0	0	0	112.4
514	Q	35.2	Very low	31.9	Very low	183 Å²	183	133.2 Å²	133.2	86%	0.855	74%	0.738	S	S	*	*			trans	48.3	158.3	138.7	-59.4	-179.8	26.3	0	0	123.4
515	A	30.5	Very low	31.8	Very low	84 Å²	84	131.3 Å²	131.3	69%	0.694	74%	0.737	S	S	*	*			cis	-175.3	172.9	-25.1	0	0	0	0	0	112.4
516	K	35.1	Very low	31.8	Very low	200 Å²	200	133.9 Å²	133.9	87%	0.87	74%	0.742	S	S	*	*			trans	85.4	126.3	172.8	-61.9	-178.6	176.9	177	0	116
517	K	30.5	Very low	31.8	Very low	209 Å²	209	130.8 Å²	130.8	91%	0.909	74%	0.74	S	S	*	*			cis	81.6	123.5	23.2	-163.1	-175.1	-177.2	179.9	0	113.1
518	G	32.9	Very low	31.6	Very low	70 Å²	70	133 Å²	133	72%	0.722	74%	0.742	S	S	*	*			cis	-158.7	-147.5	0.1	0	0	0	0	0	109.6
519	S	31.6	Very low	31.4	Very low	99 Å²	99	133.1 Å²	133.1	69%	0.692	74%	0.743	S	S	*	*			cis	179.1	142.7	-7.9	45	0	0	0	0	112.5
520	N	29.3	Very low	31.1	Very low	146 Å²	146	134.2 Å²	134.2	78%	0.781	74%	0.741	S	S	*	*			trans	78.4	153.4	144.7	-59.8	-2.3	0	0	0	123.9
521	L	28	Very low	30.8	Very low	148 Å²	148	130.6 Å²	130.6	78%	0.775	73%	0.726	S	S	*	*			trans	68.3	154.1	163	-86.4	70.8	0	0	0	118.9
522	L	26	Very low	30.4	Very low	132 Å²	132	131.7 Å²	131.7	69%	0.691	73%	0.727	S	S	*	*			cis	-172.3	162.3	-37.5	-141.1	71	0	0	0	112.1
523	T	28	Very low	30.3	Very low	105 Å²	105	131.9 Å²	131.9	64%	0.644	72%	0.724	S	S	*	*			trans	67.7	146.4	149.1	41.3	0	0	0	0	124.1
524	N	27.1	Very low	30	Very low	137 Å²	137	135.3 Å²	135.3	73%	0.733	73%	0.732	S	S	*	*			trans	76.2	146.4	148.3	-68.1	-4.5	0	0	0	120.3
525	T	28.1	Very low	30	Very low	104 Å²	104	131.8 Å²	131.8	64%	0.638	73%	0.725	S	S	*	*			cis	159	155.8	-38.1	43.2	0	0	0	0	108.7
526	K	31	Very low	29.9	Very low	195 Å²	195	131 Å²	131	85%	0.848	73%	0.726	S	S	*	*			trans	78.4	147.5	175.6	-50.2	173.4	-178.2	178.6	0	113.8
527	G	28.9	Very low	29.7	Very low	60 Å²	60	132.5 Å²	132.5	62%	0.619	73%	0.728	S	S	*	*			cis	148.5	172	-3.3	0	0	0	0	0	112.1
528	F	30.2	Very low	29.5	Very low	192 Å²	192	127.4 Å²	127.4	84%	0.842	72%	0.718	S	S	*	*			trans	70.7	149	-177.5	-50.4	-73.8	0	0	0	113.7
529	S	29.1	Very low	29.4	Very low	89 Å²	89	133.9 Å²	133.9	62%	0.622	72%	0.722	S	S	*	*			cis	-173.3	157.1	-8.2	-100.5	0	0	0	0	108.5
530	D	32.1	Very low	29.2	Very low	133 Å²	133	135.6 Å²	135.6	71%	0.711	72%	0.723	S	S	*	*			cis	-162.6	-159	-11.4	-130.4	103.4	0	0	0	113.3
531	S	27.9	Very low	29.3	Very low	63 Å²	63	133.7 Å²	133.7	44%	0.441	71%	0.713	S	S	.	*			trans	-41.4	164.4	171.4	54.1	0	0	0	0	119
532	Y	29.6	Very low	29.4	Very low	206 Å²	206	134.5 Å²	134.5	81%	0.808	71%	0.713	S	S	*	*			cis	-152.7	124.3	49.5	-83.6	-89	0	0	0	117.2
533	T	30.5	Very low	29.6	Very low	106 Å²	106	132.9 Å²	132.9	65%	0.65	71%	0.713	S	S	*	*				39.1	128.5	123.9	61.5	0	0	0	0	122.6
534	H	29.3	Very low	29.6	Very low	181 Å²	181	132.9 Å²	132.9	84%	0.838	72%	0.717	S	S	*	*				77.5	163.7	62.3	-90.9	-42.1	0	0	0	115.8
535	P	35.2	Very low	29.7	Very low	109 Å²	109	133.4 Å²	133.4	71%	0.708	72%	0.718	S	S	*	*			cis	-144.4	-175.8	-21.7	39.2	-19.8	0	0	0	116.6
536	G	28.5	Very low	29.7	Very low	68 Å²	68	134 Å²	134	70%	0.701	72%	0.722	S	S	*	*			trans	87.4	159.7	149.7	0	0	0	0	0	117.9
537	Y	30.1	Very low	29.6	Very low	231 Å²	231	128.9 Å²	128.9	91%	0.906	71%	0.71	S	S	*	*			cis	-149	173.9	7	-99.2	-91.3	0	0	0	111.7
538	S	26.8	Very low	29.5	Very low	101 Å²	101	133.1 Å²	133.1	71%	0.706	72%	0.717	S	S	*	*			trans	-120	164.1	177.9	59.3	0	0	0	0	113.1
539	Y	29.5	Very low	29.3	Very low	206 Å²	206	129.9 Å²	129.9	81%	0.808	71%	0.709	S	S	*	*			trans	-161.7	170.6	144	-127.9	-92.4	0	0	0	113.1
540	N	28.9	Very low	29.3	Very low	135 Å²	135	130.5 Å²	130.5	72%	0.722	71%	0.709	S	S	*	*			trans	-84.9	-171.9	179.9	-54.3	-33.4	0	0	0	111.5
541	D	30.4	Very low	29	Very low	106 Å²	106	129.6 Å²	129.6	57%	0.567	71%	0.708	S	S	*	*			cis	-170	169.6	45.2	-101.8	-43.5	0	0	0	113.7
542	H	30.6	Very low	29	Very low	166 Å²	166	133.4 Å²	133.4	77%	0.769	72%	0.719	S	S	*	*			trans	39.1	143.1	144.1	-61.4	-28.8	0	0	0	121.8
543	S	29.2	Very low	28.8	Very low	98 Å²	98	129.7 Å²	129.7	69%	0.685	71%	0.713	S	S	*	*			cis	-177.4	170.6	12.7	47.9	0	0	0	0	112.4
544	S	29.7	Very low	28.6	Very low	105 Å²	105	130 Å²	130	73%	0.734	71%	0.714	S	S	*	*			trans	65.6	155.2	143.2	-68.1	0	0	0	0	120.1
545	I	27.3	Very low	28.4	Very low	148 Å²	148	128.5 Å²	128.5	76%	0.759	71%	0.713	S	S	*	*			cis	-154.1	161.8	-8	-121.2	166.7	0	0	0	111.4
546	T	29.1	Very low	28.2	Very low	117 Å²	117	130.8 Å²	130.8	72%	0.718	72%	0.717	S	S	*	*			trans	-16.3	166.6	163.3	8.4	0	0	0	0	120.6
547	S	28	Very low	28.3	Very low	86 Å²	86	132.9 Å²	132.9	60%	0.601	72%	0.718	S	S	*	*			cis	-177.7	159.4	37.1	-132.1	0	0	0	0	117.2
548	I	27.6	Very low	28.1	Very low	150 Å²	150	132.4 Å²	132.4	77%	0.769	72%	0.715	S	S	*	*			trans	69.7	144.3	136.8	-76.5	163.6	0	0	0	121.9
549	N	26.7	Very low	28.2	Very low	123 Å²	123	134 Å²	134	66%	0.658	71%	0.714	S	S	*	*			cis	-174.7	152.2	-28.2	-142.9	19.2	0	0	0	114.4
550	T	27.6	Very low	28.1	Very low	102 Å²	102	130.6 Å²	130.6	63%	0.626	71%	0.71	S	S	*	*			trans	57.5	131	138.8	51	0	0	0	0	124.4
551	V	26.6	Very low	28.1	Very low	114 Å²	114	127.7 Å²	127.7	69%	0.691	70%	0.7	S	S	*	*				102.1	141.3	106.4	151.2	0	0	0	0	114.4
552	Q	28.6	Very low	28	Very low	144 Å²	144	130.8 Å²	130.8	67%	0.673	72%	0.716	S	S	*	*			cis	-168.6	169.3	-3.1	-123.3	175.4	0.7	0	0	112.3
553	N	25.8	Very low	28	Very low	127 Å²	127	130 Å²	130	68%	0.679	72%	0.717	S	S	*	*			trans	68.1	155.9	141.7	-69.1	-3.3	0	0	0	120.2
554	V	24.9	Very low	28	Very low	113 Å²	113	131.7 Å²	131.7	69%	0.685	72%	0.723	S	S	*	*			cis	-164.1	152.3	-9.2	119.7	0	0	0	0	113.1
555	D	25.4	Very low	27.9	Very low	150 Å²	150	130.7 Å²	130.7	80%	0.802	72%	0.721	S	S	*	*			trans	60.4	163.2	155.9	-68.4	-6.4	0	0	0	125.8
556	I	31	Very low	28.2	Very low	157 Å²	157	130.4 Å²	130.4	81%	0.805	72%	0.721	S	S	*	*			trans	-134.7	137.3	-163	-54.9	157.7	0	0	0	109.5
557	P	30.3	Very low	28.2	Very low	111 Å²	111	131.4 Å²	131.4	72%	0.721	72%	0.722	S	S	*	*			trans	-152.5	123.5	136	31.8	-11.1	0	0	0	118.2
558	R	27.3	Very low	28.4	Very low	221 Å²	221	134.7 Å²	134.7	83%	0.834	73%	0.731	S	S	*	*				59.1	138.4	116.9	-68	176.3	167.1	175	-2.6	124
559	I	27.5	Very low	28.5	Very low	136 Å²	136	132.5 Å²	132.5	70%	0.697	73%	0.729	S	S	*	*				100.7	125.1	125.4	-84.8	169.8	0	0	0	122.9
560	N	28.8	Very low	28.6	Very low	134 Å²	134	132.7 Å²	132.7	72%	0.717	74%	0.735	S	S	*	*			trans	69.1	115.3	147.7	-69.1	9.4	0	0	0	126.4
561	S	28	Very low	28.9	Very low	74 Å²	74	133.3 Å²	133.3	52%	0.517	74%	0.741	S	S	.	*				53.9	130.4	109.4	-41.1	0	0	0	0	123.8
562	L	28.3	Very low	28.9	Very low	170 Å²	170	134 Å²	134	89%	0.89	74%	0.744	S	S	*	*				176.7	168.7	110.8	-99.7	161.1	0	0	0	116.1
563	N	30.1	Very low	29	Very low	150 Å²	150	131.8 Å²	131.8	80%	0.802	75%	0.751	S	S	*	*			trans	-94.2	175.7	-178.3	-78.1	-39.3	0	0	0	114.1
564	V	29.9	Very low	29.1	Very low	134 Å²	134	131.9 Å²	131.9	81%	0.812	75%	0.752	S	S	*	*			trans	136.4	123	146.2	168	0	0	0	0	109.7
565	A	28.4	Very low	29.4	Very low	83 Å²	83	137.7 Å²	137.7	69%	0.686	76%	0.763	S	S	*	*			cis	97.6	109.8	18	0	0	0	0	0	116.6
566	D	32.6	Very low	29.6	Very low	142 Å²	142	134.2 Å²	134.2	76%	0.759	76%	0.763	S	S	*	*			trans	-149.4	120.9	158.3	-94.3	-46.9	0	0	0	107.3
567	N	29.4	Very low	29.6	Very low	139 Å²	139	130.6 Å²	130.6	74%	0.743	76%	0.764	S	S	*	*				72.7	131.1	76.9	-64.4	-44.5	0	0	0	111.9
568	I	31.1	Very low	29.6	Very low	154 Å²	154	130.3 Å²	130.3	79%	0.79	77%	0.765	S	S	*	*				-156.1	142.2	54.8	-74.5	164.5	0	0	0	112.7
569	S	29.7	Very low	29.9	Very low	104 Å²	104	124.5 Å²	124.5	73%	0.727	76%	0.758	S	S	*	*			trans	37.5	139.1	155	-53.7	0	0	0	0	123.8
570	V	29.3	Very low	30	Very low	128 Å²	128	125 Å²	125	78%	0.776	76%	0.762	S	S	*	*			cis	78.8	140.8	33.2	-179.3	0	0	0	0	113.2
571	P	33.1	Very low	30	Very low	115 Å²	115	123.5 Å²	123.5	75%	0.747	76%	0.761	S	S	*	*			cis	-117	176.9	11.2	19.6	5.9	0	0	0	114.7
572	V	27.1	Very low	30.2	Very low	127 Å²	127	124.8 Å²	124.8	77%	0.77	77%	0.77	S	S	*	*			cis	94	116.5	23.9	-179.2	0	0	0	0	116.8
573	A	31.2	Very low	30.2	Very low	98 Å²	98	122.6 Å²	122.6	81%	0.81	76%	0.763	S	S	*	*			trans	-156.4	161.2	159.3	0	0	0	0	0	110.2
574	N	28.1	Very low	30.2	Very low	130 Å²	130	122.4 Å²	122.4	70%	0.695	77%	0.768	S	S	*	*			trans	-139.8	-174.3	-160.5	-107.8	-15	0	0	0	114.8
575	Y	30.6	Very low	30.2	Very low	235 Å²	235	124.4 Å²	124.4	92%	0.922	77%	0.768	S	S	*	*			trans	86.6	139.6	169.6	-48.4	-73.8	0	0	0	117.6
576	G	29.7	Very low	30.4	Very low	77 Å²	77	127.4 Å²	127.4	79%	0.794	77%	0.773	S	S	*	*			cis	161.1	127.3	-14.2	0	0	0	0	0	116.5
577	G	31.1	Very low	30.4	Very low	81 Å²	81	128.5 Å²	128.5	84%	0.835	77%	0.773	S	S	*	*			trans	81.4	167.2	166.3	0	0	0	0	0	117.4
578	S	30.6	Very low	30.6	Very low	105 Å²	105	130 Å²	130	73%	0.734	78%	0.776	S	S	*	*			cis	-175.8	153.4	-17.1	179.7	0	0	0	0	110.5
579	S	33.2	Very low	30.9	Very low	99 Å²	99	126.8 Å²	126.8	69%	0.692	77%	0.765	S	S	*	*			trans	61.3	165	151.6	41.1	0	0	0	0	119.3
580	D	30.4	Very low	31	Very low	145 Å²	145	128.4 Å²	128.4	78%	0.775	77%	0.765	S	S	*	*			cis	-174	163.5	-29.8	-104.6	-59.1	0	0	0	108
581	C	28.5	Very low	31.1	Very low	103 Å²	103	129.2 Å²	129.2	70%	0.696	76%	0.764	S	S	*	*			cis	-159.1	-172	-14.3	-150.4	0	0	0	0	109.5
582	S	31.4	Very low	30.9	Very low	102 Å²	102	128.3 Å²	128.3	71%	0.713	76%	0.761	S	S	*	*			trans	70.8	132.3	161.5	-57.6	0	0	0	0	118.3
583	V	28.5	Very low	30.9	Very low	124 Å²	124	128.5 Å²	128.5	75%	0.752	76%	0.762	S	S	*	*			cis	84.2	116.3	34.8	178.8	0	0	0	0	114.8
584	T	31.2	Very low	30.7	Very low	145 Å²	145	131.4 Å²	131.4	89%	0.89	76%	0.763	S	S	*	*			trans	-166	152.1	132.1	9.6	0	0	0	0	111
585	Q	28.9	Very low	30.7	Very low	176 Å²	176	130.8 Å²	130.8	82%	0.822	76%	0.764	S	S	*	*			trans	-112.8	163.2	179.6	-61.7	168	-60.2	0	0	110.8
586	N	31.8	Very low	30.8	Very low	147 Å²	147	125 Å²	125	79%	0.786	76%	0.755	S	S	*	*			trans	-160.6	126.5	146.6	-86.1	-42.1	0	0	0	106.6
587	H	33.6	Very low	30.7	Very low	165 Å²	165	128.3 Å²	128.3	76%	0.764	76%	0.76	S	S	*	*				63.6	133.5	83.9	-80.6	-81.7	0	0	0	112.8
588	E	32.8	Very low	30.6	Very low	171 Å²	171	130.6 Å²	130.6	80%	0.799	76%	0.757	S	S	*	*			cis	-146.6	-171.6	19.1	-121.6	-155.1	134	0	0	112.7
589	P	38.4	Very low	30.6	Very low	86 Å²	86	131.2 Å²	131.2	56%	0.558	76%	0.762	S	S	*	*			trans	-132.6	-148.5	-137.2	39.6	-14.8	0	0	0	115.5
590	D	32.3	Very low	30.4	Very low	137 Å²	137	138 Å²	138	73%	0.733	77%	0.772	S	S	*	*			trans	70	147.7	158.3	-68.7	4.4	0	0	0	118.2
591	L	30.1	Very low	30.4	Very low	146 Å²	146	134.7 Å²	134.7	76%	0.764	77%	0.766	S	S	*	*			cis	-159.8	168.6	-18.1	-143.3	64.1	0	0	0	105.6
592	S	30.2	Very low	30.6	Very low	96 Å²	96	138.2 Å²	138.2	67%	0.671	78%	0.777	S	S	*	*			cis	-155.3	179.3	14.3	-42.3	0	0	0	0	111.5
593	V	26.2	Very low	30.5	Very low	130 Å²	130	136.7 Å²	136.7	79%	0.788	78%	0.778	S	S	*	*			trans	-128.9	156.7	158.8	172	0	0	0	0	107.7
594	L	27.6	Very low	30.6	Very low	159 Å²	159	136.9 Å²	136.9	83%	0.832	79%	0.785	S	S	*	*			trans	-176.3	104.8	145.3	-99.4	168	0	0	0	114.7
595	T	27.6	Very low	30.3	Very low	117 Å²	117	134.9 Å²	134.9	72%	0.718	78%	0.777	S	S	*	*			trans	22.1	159.9	140.6	48.8	0	0	0	0	126.2
596	P	32.2	Very low	30.3	Very low	115 Å²	115	136.2 Å²	136.2	75%	0.747	78%	0.78	S	S	*	*			trans	-108.2	-174.4	-168.9	44.1	-37.3	0	0	0	116.1
597	T	29.1	Very low	29.9	Very low	146 Å²	146	136.7 Å²	136.7	90%	0.896	78%	0.782	S	S	*	*			trans	-144.3	156.2	167.5	-56.1	0	0	0	0	112
598	V	28.2	Very low	29.7	Very low	128 Å²	128	136.1 Å²	136.1	78%	0.776	78%	0.783	S	S	*	*			trans	-109.8	155.5	-168.6	171.9	0	0	0	0	112.5
599	S	31.1	Very low	29.5	Very low	118 Å²	118	133.1 Å²	133.1	83%	0.825	78%	0.78	S	S	*	*			trans	-125.8	147	163.4	-75.1	0	0	0	0	112.8
600	R	29.4	Very low	28.8	Very low	241 Å²	241	136.8 Å²	136.8	91%	0.909	79%	0.79	S	S	*	*			trans	-83.7	169.8	179.2	-76.2	168.7	61	149	-1.7	111.6
601	A	30	Very low	28.7	Very low	77 Å²	77	137.5 Å²	137.5	64%	0.636	79%	0.794	S	S	*	*			cis	-178.3	148.5	-29.8	0	0	0	0	0	107.7
602	D	32.2	Very low	28.5	Very low	176 Å²	176	137.4 Å²	137.4	94%	0.941	79%	0.793	S	S	*	*			trans	-176.7	152	152.6	-95.7	-24.1	0	0	0	108.9
603	G	28.2	Very low	28.3	Very low	71 Å²	71	140.7 Å²	140.7	73%	0.732	80%	0.802	S	S	*	*			cis	178.8	12.7	-0.9	0	0	0	0	0	117.3
604	S	30.9	Very low	28.3	Very low	127 Å²	127	140.2 Å²	140.2	89%	0.888	80%	0.8	S	S	*	*			trans	-148.3	137.1	178.3	59.9	0	0	0	0	114.7
605	S	25.5	Very low	28.3	Very low	103 Å²	103	141.3 Å²	141.3	72%	0.72	80%	0.798	S	S	*	*			trans	-134.8	140.6	-176.3	59.8	0	0	0	0	110.9
606	F	28.2	Very low	28.3	Very low	205 Å²	205	141.6 Å²	141.6	90%	0.899	80%	0.795	S	S	*	*			trans	-143.3	112.6	155.1	-89	-70.6	0	0	0	112.1
607	L	24.1	Very low	28.1	Very low	156 Å²	156	141 Å²	141	82%	0.817	79%	0.792	S	S	*	*			trans	-88.9	-163	151.6	-69.1	167	0	0	0	108.1
608	I	28.8	Very low	28	Very low	154 Å²	154	144.1 Å²	144.1	79%	0.79	79%	0.788	S	S	*	*			trans	82.1	134.6	171.5	-53.8	165.1	0	0	0	113.1
609	S	28.4	Very low	28.1	Very low	107 Å²	107	142 Å²	142	75%	0.748	78%	0.775	S	S	*	*			cis	-165.7	174	-19.9	-98.4	0	0	0	0	110
610	H	24.7	Very low	27.9	Very low	163 Å²	163	143.7 Å²	143.7	76%	0.755	77%	0.77	S	S	*	*			trans	-49.8	144.8	162.2	-82.9	-128.3	0	0	0	112.9
611	N	30.1	Very low	27.8	Very low	153 Å²	153	137.1 Å²	137.1	82%	0.818	76%	0.758	S	S	*	*				-175.3	162.5	106.5	-99.2	-57.7	0	0	0	114.4
612	L	25.8	Very low	27.7	Very low	143 Å²	143	141.2 Å²	141.2	75%	0.749	77%	0.768	S	S	*	*			trans	-79.3	147.2	171.9	-67.5	71	0	0	0	110.5
613	L	26.2	Very low	27.3	Very low	165 Å²	165	137.6 Å²	137.6	86%	0.864	76%	0.756	S	S	*	*				-169.1	146.2	100.3	-145.8	74.1	0	0	0	112.6
614	V	26.8	Very low	27.3	Very low	121 Å²	121	144.1 Å²	144.1	73%	0.733	77%	0.765	S	S	*	*			trans	-95.1	141.3	168.8	175.9	0	0	0	0	109
615	K	27.2	Very low	27	Very low	182 Å²	182	140.9 Å²	140.9	79%	0.791	75%	0.752	S	S	*	*				175.7	120	127.1	-95.2	175	179.6	178	0	116.3
616	N	27.7	Very low	27.2	Very low	123 Å²	123	143 Å²	143	66%	0.658	76%	0.76	S	S	*	*				98.6	116.2	120.4	-77.1	8.1	0	0	0	123.9
617	C	26.8	Very low	27	Very low	102 Å²	102	140.1 Å²	140.1	69%	0.689	75%	0.754	S	S	*	*				81.1	151.3	124	-64.5	0	0	0	0	119.2
618	R	28.2	Very low	27.2	Very low	212 Å²	212	138.7 Å²	138.7	80%	0.8	75%	0.747	S	S	*	*			cis	-166.1	163.1	-9.1	-117.9	-167.9	161.6	-152.1	-2.9	110.3
619	T	29.6	Very low	27.1	Very low	82 Å²	82	138.5 Å²	138.5	50%	0.503	75%	0.747	S	S	.	*			cis	-123.3	-101.8	-20.9	-29.2	0	0	0	0	109.9
620	E	27.3	Very low	27	Very low	154 Å²	154	139.3 Å²	139.3	72%	0.72	74%	0.742	S	S	*	*			cis	-139.4	154	-13.7	-72	-60.3	149	0	0	109.1
621	P	27.4	Very low	27.1	Very low	104 Å²	104	140.1 Å²	140.1	68%	0.675	75%	0.749	S	S	*	*			trans	-115.2	164.9	-155.4	41.6	-33.4	0	0	0	116.1
622	I	28.1	Very low	26.8	Very low	163 Å²	163	143.5 Å²	143.5	84%	0.836	75%	0.75	S	S	*	*			trans	-126.2	130.3	153.6	-62.5	179.9	0	0	0	107.8
623	S	23.3	Very low	26.9	Very low	100 Å²	100	141.9 Å²	141.9	70%	0.699	75%	0.75	S	S	*	*			trans	-110.8	138.3	176.9	-179.2	0	0	0	0	110.4
624	F	27.6	Very low	27	Very low	207 Å²	207	139.3 Å²	139.3	91%	0.908	75%	0.746	S	S	*	*			trans	-127.8	110.2	149.5	-85.4	-77.1	0	0	0	107.3
625	G	25.1	Very low	26.9	Very low	60 Å²	60	139.4 Å²	139.4	62%	0.619	74%	0.743	S	S	*	*			trans	-140	143	173.5	0	0	0	0	0	109.8
626	V	29.5	Very low	26.8	Very low	146 Å²	146	138.4 Å²	138.4	89%	0.885	74%	0.738	S	S	*	*			trans	-145.3	131.1	159.9	-99.5	0	0	0	0	106.9
627	N	25.6	Very low	26.7	Very low	146 Å²	146	142.6 Å²	142.6	78%	0.781	75%	0.746	S	S	*	*			trans	-80.9	-167.6	170.8	-53.2	-21.3	0	0	0	108
628	D	26.3	Very low	26.6	Very low	125 Å²	125	146.8 Å²	146.8	67%	0.668	75%	0.753	S	S	*	*			cis	-164	-172.8	21.4	-140	-53.4	0	0	0	111.7
629	L	27.5	Very low	26.5	Very low	150 Å²	150	143.4 Å²	143.4	79%	0.785	75%	0.751	S	S	*	*			trans	76.5	133.9	176.4	-63.7	107.6	0	0	0	117.8
630	L	25.8	Very low	26.4	Very low	124 Å²	124	147 Å²	147	65%	0.649	77%	0.767	S	S	*	*			cis	-158.3	134.5	-27	-157.5	127.7	0	0	0	110.6	R632	L630-R632 HydrophobicContact CD2-CB 4.4Å; L630-R632 HydrophobicContact CD2-CG 4.11Å
631	M	27.4	Very low	26.4	Very low	181 Å²	181	145.9 Å²	145.9	89%	0.892	77%	0.771	S	S	*	*			trans	-92.2	109	174.8	-90.2	-76.5	-79.2	0	0	112.5
632	R	24.7	Very low	26.6	Very low	224 Å²	224	150.1 Å²	150.1	85%	0.845	78%	0.782	S	S	*	*			trans	-149.2	134.9	160	-88.4	-179.1	170.3	170.4	-3.7	107.3	L630	L630-R632 HydrophobicContact CD2-CB 4.4Å; L630-R632 HydrophobicContact CD2-CG 4.11Å
633	S	27.4	Very low	26.8	Very low	108 Å²	108	145.2 Å²	145.2	76%	0.755	76%	0.759	S	S	*	*			cis	-160.1	137.5	-0.4	52.7	0	0	0	0	111.9
634	S	28.8	Very low	27	Very low	111 Å²	111	147.4 Å²	147.4	78%	0.776	76%	0.762	S	S	*	*			trans	-78.3	123.6	168.3	-50	0	0	0	0	110.7
635	N	24.3	Very low	27.1	Very low	123 Å²	123	139.9 Å²	139.9	66%	0.658	74%	0.735	S	S	*	*			trans	-175	119.4	159.1	-107	-57.7	0	0	0	111.5
636	K	24.8	Very low	27.4	Very low	162 Å²	162	144.7 Å²	144.7	70%	0.704	74%	0.741	S	S	*	*			trans	59.4	152	145.6	-55.8	169	-174.9	174.5	0	116.4
637	Y	25.4	Very low	27.4	Very low	210 Å²	210	145.6 Å²	145.6	82%	0.824	74%	0.736	S	S	*	*			cis	-144	164.8	30.4	-79.2	-92.6	0	0	0	112.3
638	F	24.1	Very low	27.5	Very low	190 Å²	190	143.3 Å²	143.3	83%	0.833	73%	0.731	S	S	*	*			trans	-103.9	179.7	157.3	-127.3	-95.1	0	0	0	108.9
639	N	26.3	Very low	27.6	Very low	142 Å²	142	142.5 Å²	142.5	76%	0.759	74%	0.735	S	S	*	*			trans	86.8	145.5	-173.7	-46.7	-9.6	0	0	0	112.4
640	N	28.3	Very low	27.9	Very low	157 Å²	157	142.1 Å²	142.1	84%	0.84	74%	0.739	S	S	*	*			cis	-113.4	162.9	14.7	-62.5	-40.7	0	0	0	114.3
641	T	27.1	Very low	28.1	Very low	130 Å²	130	141.7 Å²	141.7	80%	0.798	74%	0.737	S	S	*	*			trans	-128.3	145.7	159.2	-49.6	0	0	0	0	107	V643	T641-V643 HydrophobicContact CG2-CG2 4.26Å
642	E	31	Very low	28.3	Very low	194 Å²	194	138.4 Å²	138.4	91%	0.907	72%	0.722	S	S	*	*			trans	-133.5	157.6	168.3	-153.6	160	-134.7	0	0	110.4
643	V	31.7	Very low	28.7	Very low	60 Å²	60	134.1 Å²	134.1	36%	0.364	71%	0.712	S	S	.	*			trans	-153.9	149.5	-144.1	169.1	0	0	0	0	109.8	V322 T641	V322-V643 HydrophobicContact CB-CG1 4.42Å; V322-V643 HydrophobicContact CG2-CG1 4.11Å; V322-V643 HydrophobicContact CG2-CG2 3.87Å; T641-V643 HydrophobicContact CG2-CG2 4.26Å
644	I	29.3	Very low	29	Very low	146 Å²	146	137.3 Å²	137.3	75%	0.749	71%	0.712	S	S	*	*			trans	-162.9	99.2	153.8	-111	150.2	0	0	0	114.8	L320	L320-I644 CarbonylContact O-C 3.5Å
645	S	29.5	Very low	29.1	Very low	48 Å²	48	136.9 Å²	136.9	34%	0.336	71%	0.709	S	S	.	*			trans	53.6	147.2	136.8	45.9	0	0	0	0	122.5	L320	L320-S645 PolarHBondContact O-N 3.42Å
646	Q	30.4	Very low	29.3	Very low	161 Å²	161	139.2 Å²	139.2	75%	0.752	72%	0.721	S	S	*	*			cis	-166.3	165.2	5.8	-111.5	159.7	22.2	0	0	112.3
647	Q	29.2	Very low	29.4	Very low	166 Å²	166	134.6 Å²	134.6	78%	0.776	72%	0.719	S	S	*	*			trans	22.3	151.9	156.9	-92.7	67.7	-3.9	0	0	122.7
648	S	27.3	Very low	29.9	Very low	97 Å²	97	132.2 Å²	132.2	68%	0.678	72%	0.719	S	S	*	*			cis	-165.8	161.4	2	46.5	0	0	0	0	108.9
649	S	30	Very low	30.4	Very low	109 Å²	109	126 Å²	126	76%	0.762	70%	0.699	S	S	*	*			cis	79.5	136	31.5	-56.9	0	0	0	0	115.3
650	V	32.4	Very low	30.8	Very low	141 Å²	141	126.3 Å²	126.3	86%	0.855	70%	0.699	S	S	*	*			cis	-170.5	173.4	-6.4	-91.5	0	0	0	0	108.7
651	D	31.4	Very low	31	Very low	115 Å²	115	125.1 Å²	125.1	62%	0.615	69%	0.689	S	S	*	*			cis	178.8	176.8	-32.3	-175.3	24.6	0	0	0	110.5
652	L	30.7	Very low	31.3	Very low	112 Å²	112	128.5 Å²	128.5	59%	0.586	69%	0.687	S	S	*	*			trans	83.1	158.9	158.5	-54.6	174	0	0	0	120.1
653	H	33.5	Very low	31.4	Very low	135 Å²	135	128 Å²	128	63%	0.625	68%	0.681	S	S	*	*			cis	-169.2	160.3	12.7	-135.4	-11	0	0	0	116.8
654	K	33	Very low	31.6	Very low	174 Å²	174	131.5 Å²	131.5	76%	0.757	70%	0.698	S	S	*	*			trans	71.4	158	149.3	-74.7	166.4	-178.2	171.7	0	121.5
655	S	31.1	Very low	31.9	Very low	102 Å²	102	129.6 Å²	129.6	71%	0.713	70%	0.698	S	S	*	*			cis	178.5	178.7	-19.5	63.8	0	0	0	0	109.8
656	L	28.2	Very low	32.1	Very low	173 Å²	173	134.7 Å²	134.7	91%	0.906	72%	0.721	S	S	*	*			cis	-174.7	160	-2	-129.8	173.6	0	0	0	111.4
657	G	28	Very low	32.2	Very low	64 Å²	64	133 Å²	133	66%	0.66	72%	0.722	S	S	*	*			trans	141.1	141.3	152.4	0	0	0	0	0	122.7
658	L	34.6	Very low	32.5	Very low	160 Å²	160	133.9 Å²	133.9	84%	0.838	73%	0.726	S	S	*	*			trans	-157.1	-173.8	179.4	-72.4	-176.8	0	0	0	111.6
659	P	34.6	Very low	32.6	Very low	61 Å²	61	135 Å²	135	40%	0.396	73%	0.729	S	S	.	*			cis	-136.4	-120	7.7	42.4	-17.9	0	0	0	118.4	G726 F727	P659-G726 CarbonylContact C-O 3.58Å; P659-F727 WeakPolarHBondContact CD-O 3.22Å; P659-F727 WeakPolarHBondContact CG-O 3.35Å
660	L	34.7	Very low	32.7	Very low	147 Å²	147	137.6 Å²	137.6	77%	0.77	73%	0.733	S	S	*	*			trans	-163	159.3	-157.4	174.2	150.5	0	0	0	115.9	G726	L660-G726 PolarHBondContact N-O 3.37Å
661	E	33.4	Very low	32.7	Very low	133 Å²	133	138.3 Å²	138.3	62%	0.621	73%	0.732	S	S	*	*			trans	-164.2	178.3	174.5	-86.8	-66.2	65.9	0	0	113
662	R	33.5	Very low	33.2	Very low	200 Å²	200	138 Å²	138	76%	0.755	74%	0.737	S	S	*	*			cis	-173.9	176.6	-48.8	-129.5	-167.2	-154.5	119.2	2.2	114.3
663	K	33.6	Very low	33.5	Very low	183 Å²	183	143.2 Å²	143.2	80%	0.796	76%	0.755	S	S	*	*			trans	89.9	148.8	161.4	-68.6	-179.4	-179	175	0	122.2
664	N	34.7	Very low	33.6	Very low	135 Å²	135	140.2 Å²	140.2	72%	0.722	76%	0.76	S	S	*	*			cis	-172.5	161.8	-24	-110.4	19.4	0	0	0	115.7
665	S	36.4	Very low	33.6	Very low	105 Å²	105	137.5 Å²	137.5	73%	0.734	76%	0.763	S	S	*	*			trans	70.6	158.4	153.1	49.4	0	0	0	0	121.2
666	N	33.9	Very low	33.6	Very low	156 Å²	156	138.6 Å²	138.6	83%	0.834	77%	0.765	S	S	*	*			cis	-149.2	-145.8	-0.7	-124.6	30.2	0	0	0	116.4
667	V	32.1	Very low	33.7	Very low	125 Å²	125	137.3 Å²	137.3	76%	0.758	76%	0.759	S	S	*	*			trans	-156	164.2	-149.3	145	0	0	0	0	116.5
668	Q	35	Very low	34	Very low	184 Å²	184	140.7 Å²	140.7	86%	0.86	76%	0.762	S	S	*	*			trans	129.8	168.5	152.3	-101.6	162.3	56.2	0	0	121.7
669	T	30.3	Very low	33.8	Very low	122 Å²	122	137.5 Å²	137.5	75%	0.748	75%	0.752	S	S	*	*			trans	-154	154.6	-141.1	-42.3	0	0	0	0	116.8
670	L	31	Very low	33.8	Very low	163 Å²	163	141 Å²	141	85%	0.853	77%	0.773	S	S	*	*			trans	159.5	138.2	132.7	-85.5	165.6	0	0	0	120.8
671	D	34.1	Very low	33.7	Very low	155 Å²	155	143 Å²	143	83%	0.829	78%	0.778	S	S	*	*			trans	68.1	141.6	145.8	-114.4	27.8	0	0	0	128.8
672	P	42	Very low	33.6	Very low	110 Å²	110	139.9 Å²	139.9	71%	0.714	78%	0.782	S	S	*	*			trans	-138.1	174	-175.4	45.8	-29.4	0	0	0	119.8
673	K	36.7	Very low	33.5	Very low	221 Å²	221	137.8 Å²	137.8	96%	0.961	79%	0.786	S	S	*	*			trans	-161.1	145	162.1	-69.3	-166	-179.9	177.2	0	116.4
674	G	34.3	Very low	33.7	Very low	72 Å²	72	134.1 Å²	134.1	74%	0.742	78%	0.781	S	S	*	*			trans	123.1	90.2	135.7	0	0	0	0	0	125.5
675	S	33.8	Very low	33.4	Very low	116 Å²	116	134.7 Å²	134.7	81%	0.811	78%	0.784	S	S	*	*				61.4	129.9	127.5	61.3	0	0	0	0	128.4
676	V	31.6	Very low	33.1	Very low	126 Å²	126	140.3 Å²	140.3	76%	0.764	79%	0.79	S	S	*	*				101.6	119.7	126.6	159.5	0	0	0	0	124.8
677	L	29.7	Very low	32.7	Very low	146 Å²	146	140.1 Å²	140.1	76%	0.764	79%	0.789	S	S	*	*			trans	47.4	163	146.8	-60	173.1	0	0	0	122.3
678	D	33.4	Very low	32.6	Very low	135 Å²	135	140.9 Å²	140.9	72%	0.722	79%	0.794	S	S	*	*			cis	-150.7	-162.4	7.6	-142.4	-40.2	0	0	0	114.4
679	S	30.5	Very low	32.3	Very low	92 Å²	92	138.7 Å²	138.7	64%	0.643	79%	0.788	S	S	*	*			trans	-124.2	-178.2	-153.4	-42.5	0	0	0	0	118.4
680	T	35.4	Very low	32.2	Very low	135 Å²	135	138 Å²	138	83%	0.828	78%	0.783	S	S	*	*			trans	109.8	156.2	165.8	65.8	0	0	0	0	118
681	Q	32.1	Very low	32	Very low	188 Å²	188	134.9 Å²	134.9	88%	0.879	78%	0.775	S	S	*	*			cis	-174.6	140.5	-36	-178.8	174.7	9.7	0	0	110.4
682	G	31	Very low	31.8	Very low	69 Å²	69	133.3 Å²	133.3	71%	0.711	77%	0.771	S	S	*	*			trans	132.7	99.6	150.7	0	0	0	0	0	122.8
683	N	33.2	Very low	31	Very low	156 Å²	156	134.3 Å²	134.3	83%	0.834	78%	0.775	S	S	*	*			trans	54.7	134.2	134.1	-137.5	26.4	0	0	0	124.2
684	P	36.3	Very low	30.7	Very low	105 Å²	105	129.4 Å²	129.4	68%	0.682	77%	0.766	S	S	*	*			trans	-108.6	174.9	175.1	41.7	-34.4	0	0	0	114.9
685	N	28.1	Very low	30.3	Very low	148 Å²	148	130.9 Å²	130.9	79%	0.791	76%	0.764	S	S	*	*			trans	-170	174.2	155.4	-116.2	-57.6	0	0	0	115.1
686	Y	30.8	Very low	30.3	Very low	222 Å²	222	133.3 Å²	133.3	87%	0.871	76%	0.763	S	S	*	*			trans	96.4	135.5	167.5	-72	-79.2	0	0	0	121.2
687	L	25.3	Very low	30.1	Very low	153 Å²	153	133.7 Å²	133.7	80%	0.801	76%	0.761	S	S	*	*			trans	-138	134.6	-179.1	162.2	159.2	0	0	0	107.1
688	V	31.2	Very low	30	Very low	141 Å²	141	131.5 Å²	131.5	86%	0.855	76%	0.758	S	S	*	*			trans	-145.3	153.8	168.4	-173	0	0	0	0	108.9
689	D	27.1	Very low	29.9	Very low	138 Å²	138	133.1 Å²	133.1	74%	0.738	76%	0.761	S	S	*	*			trans	-130.4	-170.4	-169.2	174.5	31.1	0	0	0	109.9
690	V	28.3	Very low	29.7	Very low	107 Å²	107	135.1 Å²	135.1	65%	0.648	77%	0.765	S	S	*	*			trans	90.1	89.5	153.9	-163.9	0	0	0	0	118.3
691	S	26.6	Very low	29.4	Very low	98 Å²	98	134.7 Å²	134.7	69%	0.685	77%	0.767	S	S	*	*				93.5	161.5	121.4	83	0	0	0	0	124.6
692	T	30.3	Very low	29.1	Very low	121 Å²	121	131 Å²	131	74%	0.742	76%	0.757	S	S	*	*			trans	95	122.1	146.9	-52	0	0	0	0	119.1
693	V	25.1	Very low	29	Very low	131 Å²	131	135.6 Å²	135.6	79%	0.794	77%	0.765	S	S	*	*			trans	-118.2	146.6	166.2	-167.1	0	0	0	0	106.8
694	P	30.2	Very low	28.7	Very low	119 Å²	119	134.3 Å²	134.3	77%	0.773	76%	0.756	S	S	*	*				-138.9	167.2	128	37.3	-25.7	0	0	0	113.8
695	S	27.1	Very low	28.4	Very low	102 Å²	102	139.2 Å²	139.2	71%	0.713	77%	0.767	S	S	*	*			trans	-89.7	154.7	173.9	48.4	0	0	0	0	112.2
696	Q	32.4	Very low	28.6	Very low	168 Å²	168	140.6 Å²	140.6	79%	0.785	77%	0.766	S	S	*	*				175.8	149.1	115.5	-94.6	-177.2	26	0	0	114
697	N	28.1	Very low	28.3	Very low	133 Å²	133	133.4 Å²	133.4	71%	0.711	76%	0.759	S	S	*	*			trans	42.5	113.4	146.3	-64.6	-0.8	0	0	0	122.8
698	S	26.8	Very low	28.6	Very low	101 Å²	101	133.3 Å²	133.3	71%	0.706	76%	0.76	S	S	*	*				36.3	124	127.2	66.3	0	0	0	0	121.1
699	Q	31.3	Very low	28.4	Very low	169 Å²	169	134.9 Å²	134.9	79%	0.79	76%	0.764	S	S	*	*				-168.1	162.7	84.6	-100.8	-171.8	-27.3	0	0	112.8
700	D	26.4	Very low	28.6	Very low	134 Å²	134	131.9 Å²	131.9	72%	0.717	77%	0.765	S	S	*	*			trans	22.7	117.4	157.1	-57.6	-0.5	0	0	0	120.5
701	S	29.4	Very low	28.6	Very low	125 Å²	125	135 Å²	135	87%	0.874	78%	0.777	S	S	*	*			trans	-149.5	77.2	154.2	-79.8	0	0	0	0	110.5	L703	S701-L703 PolarHBondContact O-N 3.07Å
702	T	25.6	Very low	28.6	Very low	110 Å²	110	135.6 Å²	135.6	68%	0.675	78%	0.781	S	S	*	*			trans	-67.3	120.3	176.2	-63.8	0	0	0	0	111.3	I704	T702-I704 HydrophobicContact CG2-CD1 3.96Å; T702-I704 HydrophobicContact CG2-CG1 3.77Å
703	L	29.7	Very low	28.4	Very low	167 Å²	167	137.1 Å²	137.1	87%	0.874	79%	0.791	S	S	*	*			trans	-114.3	103.5	162.5	-75.8	179	0	0	0	110.5	S701	S701-L703 PolarHBondContact O-N 3.07Å
704	I	27.1	Very low	28.5	Very low	128 Å²	128	139.3 Å²	139.3	66%	0.656	79%	0.792	S	S	*	*			trans	-80.7	128.2	172.5	-67.1	151	0	0	0	108.4	T702 K706	T702-I704 HydrophobicContact CG2-CD1 3.96Å; T702-I704 HydrophobicContact CG2-CG1 3.77Å; I704-K706 HydrophobicContact CG2-CB 4.37Å
705	F	30.6	Very low	28.3	Very low	209 Å²	209	141 Å²	141	92%	0.917	79%	0.793	S	S	*	*			trans	-121.1	137.9	145.9	-92.4	-80.3	0	0	0	111
706	K	30.6	Very low	28.3	Very low	177 Å²	177	144.5 Å²	144.5	77%	0.77	80%	0.798	S	S	*	*			trans	-106.7	109.4	-153.7	-178.6	176.9	178.9	177.8	0	109.7	I704	I704-K706 HydrophobicContact CG2-CB 4.37Å
707	G	24.8	Very low	28.1	Very low	70 Å²	70	140 Å²	140	72%	0.722	80%	0.797	S	S	*	*			trans	-66.6	145	172	0	0	0	0	0	111.7
708	N	32.5	Very low	28.1	Very low	151 Å²	151	140.3 Å²	140.3	81%	0.807	80%	0.798	S	S	*	*			trans	-128.4	128.6	164.4	-96.1	-11.7	0	0	0	108.3
709	N	27.6	Very low	28.1	Very low	175 Å²	175	142.7 Å²	142.7	94%	0.936	80%	0.802	S	S	*	*			trans	-80.2	149	174.9	-50.9	-66.4	0	0	0	109.8
710	G	30.3	Very low	27.8	Very low	74 Å²	74	139 Å²	139	76%	0.763	80%	0.795	S	S	*	*			trans	-171.1	73.6	-178.2	0	0	0	0	0	116.1
711	L	29.1	Very low	27.8	Very low	173 Å²	173	139 Å²	139	91%	0.906	80%	0.799	S	S	*	*			trans	40.3	137.8	144.9	-71.5	159.7	0	0	0	122.3
712	S	24.8	Very low	27.7	Very low	110 Å²	110	137.9 Å²	137.9	77%	0.769	79%	0.792	S	S	*	*			trans	-44.3	143.7	169.9	-39.2	0	0	0	0	116.7
713	T	28.1	Very low	27.8	Very low	154 Å²	154	137.2 Å²	137.2	95%	0.945	79%	0.791	S	S	*	*				-161.5	173	128.1	5.9	0	0	0	0	111.3
714	Q	25.3	Very low	27.6	Very low	177 Å²	177	136.2 Å²	136.2	83%	0.827	79%	0.787	S	S	*	*			trans	-133.3	170	-166.7	-171	-175	16.2	0	0	109.5
715	I	26.5	Very low	27.7	Very low	153 Å²	153	136.1 Å²	136.1	79%	0.785	79%	0.793	S	S	*	*			trans	119.1	133.9	153.9	-60.2	161.1	0	0	0	116.9
716	H	27.8	Very low	27.7	Very low	176 Å²	176	127.3 Å²	127.3	82%	0.815	76%	0.761	S	S	*	*			trans	-40.1	161.7	178.3	-78.1	-107.4	0	0	0	121.9
717	G	28.7	Very low	27.6	Very low	74 Å²	74	128 Å²	128	76%	0.763	76%	0.764	S	S	*	*			trans	-166.1	128.2	148.6	0	0	0	0	0	113.1
718	N	27.6	Very low	27.8	Very low	139 Å²	139	129.9 Å²	129.9	74%	0.743	76%	0.758	S	S	*	*			trans	-115.7	162.7	178.7	-73.5	-20.1	0	0	0	111.3
719	L	26.2	Very low	27.5	Very low	151 Å²	151	131.2 Å²	131.2	79%	0.791	76%	0.757	S	S	*	*				160.9	99.6	126.5	-84.4	159.8	0	0	0	116.4
720	S	26	Very low	27.4	Very low	91 Å²	91	127.9 Å²	127.9	64%	0.636	75%	0.747	S	S	*	*				53.7	158.4	116.2	70.7	0	0	0	0	126.1
721	V	26.1	Very low	27.2	Very low	134 Å²	134	128.5 Å²	128.5	81%	0.812	74%	0.74	S	S	*	*			trans	86.8	137.3	159.6	-175	0	0	0	0	115
722	S	26	Very low	27.2	Very low	102 Å²	102	130.6 Å²	130.6	71%	0.713	74%	0.736	S	S	*	*			cis	-154.8	168.8	17.6	-146	0	0	0	0	118.4
723	S	29.2	Very low	27.3	Very low	96 Å²	96	131.8 Å²	131.8	67%	0.671	73%	0.733	S	S	*	*			trans	65.4	97.7	138	65.7	0	0	0	0	125.7
724	N	25.8	Very low	27.4	Very low	146 Å²	146	130.2 Å²	130.2	78%	0.781	73%	0.729	S	S	*	*				19.8	142.1	116.3	-51.7	-7.4	0	0	0	122.4
725	T	28.9	Very low	27.6	Very low	127 Å²	127	125.9 Å²	125.9	78%	0.779	73%	0.731	S	S	*	*				169.5	137.2	94.9	35	0	0	0	0	116.5
726	G	30.1	Very low	27.5	Very low	24 Å²	24	124.3 Å²	124.3	25%	0.247	73%	0.734	C	S	.	*			trans	78.9	152.7	145.4	0	0	0	0	0	119.5	P659 L660	P659-G726 CarbonylContact C-O 3.58Å; L660-G726 PolarHBondContact N-O 3.37Å
727	F	29.3	Very low	27.4	Very low	192 Å²	192	121.8 Å²	121.8	84%	0.842	73%	0.734	S	S	*	*			cis	-146.3	-169.4	-15.4	-109.9	-72.3	0	0	0	110.2	P659	P659-F727 WeakPolarHBondContact CD-O 3.22Å; P659-F727 WeakPolarHBondContact CG-O 3.35Å
728	N	27.2	Very low	27.3	Very low	108 Å²	108	123.4 Å²	123.4	58%	0.578	73%	0.73	S	S	*	*			trans	-144.4	162	-148.9	-159.5	-5.1	0	0	0	115.4
729	F	26.4	Very low	27.2	Very low	179 Å²	179	123.8 Å²	123.8	79%	0.785	73%	0.73	S	S	*	*			trans	68.4	159.7	171.6	-67.3	-73.1	0	0	0	116.9
730	S	26.4	Very low	27.4	Very low	105 Å²	105	121.6 Å²	121.6	73%	0.734	73%	0.725	S	S	*	*			cis	-157.5	172.9	14.8	-150.6	0	0	0	0	115.6
731	S	26.8	Very low	27.3	Very low	87 Å²	87	124.2 Å²	124.2	61%	0.608	73%	0.73	S	S	*	*			trans	88.5	101.5	136.8	179.7	0	0	0	0	122.6
732	R	28	Very low	27.3	Very low	218 Å²	218	122.3 Å²	122.3	82%	0.823	72%	0.723	S	S	*	*				94.8	116.4	124.8	-73.3	178.8	-176.2	-163.6	-0.2	122.9
733	N	27.9	Very low	27.2	Very low	134 Å²	134	122.1 Å²	122.1	72%	0.717	72%	0.722	S	S	*	*				76.8	121	123.8	-67.9	19.6	0	0	0	122.6
734	S	28.8	Very low	27.2	Very low	122 Å²	122	125 Å²	125	85%	0.853	73%	0.729	S	S	*	*			trans	72.4	147.5	132.4	67.8	0	0	0	0	120
735	G	29.3	Very low	27.3	Very low	85 Å²	85	122.4 Å²	122.4	88%	0.876	72%	0.722	S	S	*	*			trans	120.6	115.8	178.6	0	0	0	0	0	110.9
736	S	26.1	Very low	27.4	Very low	121 Å²	121	124.6 Å²	124.6	85%	0.846	72%	0.724	S	S	*	*			trans	-110.4	159.1	-176.4	50.9	0	0	0	0	112.9
737	C	23.9	Very low	27.5	Very low	122 Å²	122	127.7 Å²	127.7	82%	0.824	74%	0.741	S	S	*	*			trans	92.7	148	156.4	-140.5	0	0	0	0	119.8
738	T	26.9	Very low	27.5	Very low	108 Å²	108	125 Å²	125	66%	0.663	74%	0.736	S	S	*	*			trans	89.2	87	155	-45.6	0	0	0	0	119.7
739	I	27	Very low	27.6	Very low	147 Å²	147	126.4 Å²	126.4	75%	0.754	74%	0.741	S	S	*	*				57.3	136.8	116.4	-65.9	169.5	0	0	0	119.1
740	P	29.8	Very low	27.8	Very low	105 Å²	105	126.7 Å²	126.7	68%	0.682	74%	0.742	S	S	*	*			cis	-143.7	-147.9	-26.8	39.7	-16.3	0	0	0	113.4
741	I	24.6	Very low	27.9	Very low	146 Å²	146	125.3 Å²	125.3	75%	0.749	74%	0.736	S	S	*	*			trans	77.7	141.4	163.8	-24.1	-179.2	0	0	0	120
742	S	24.8	Very low	28.1	Very low	94 Å²	94	129.2 Å²	129.2	66%	0.657	75%	0.75	S	S	*	*			trans	75.2	105.8	145.4	38	0	0	0	0	122.7
743	S	24.8	Very low	28	Very low	99 Å²	99	124.1 Å²	124.1	69%	0.692	75%	0.745	S	S	*	*				45	118.2	124.3	64.4	0	0	0	0	122.6
744	L	28.6	Very low	28.2	Very low	156 Å²	156	124 Å²	124	82%	0.817	76%	0.755	S	S	*	*				-136	140.6	119.1	-82.6	100	0	0	0	107.1
745	S	28.7	Very low	28.3	Very low	92 Å²	92	123.8 Å²	123.8	64%	0.643	75%	0.753	S	S	*	*			cis	81.5	104.1	23.2	84.8	0	0	0	0	116.3
746	E	31.3	Very low	28.2	Very low	173 Å²	173	128.5 Å²	128.5	81%	0.808	75%	0.752	S	S	*	*			trans	-167.9	127.1	134.7	-100.1	160	-160.1	0	0	107.4
747	S	30.7	Very low	28.5	Very low	88 Å²	88	131.2 Å²	131.2	62%	0.615	76%	0.755	S	S	*	*				77.1	133.7	62.9	111.6	0	0	0	0	112.1
748	N	30.2	Very low	28.7	Very low	136 Å²	136	136 Å²	136	73%	0.727	76%	0.756	S	S	*	*			cis	-142.6	-171.8	-7	-84.1	-45.2	0	0	0	107.5
749	M	29	Very low	28.8	Very low	138 Å²	138	138.4 Å²	138.4	68%	0.68	77%	0.765	S	S	*	*			cis	-150.4	-169.3	11.6	-141.8	113.1	67.4	0	0	106.7
750	F	30.8	Very low	28.9	Very low	185 Å²	185	135.3 Å²	135.3	81%	0.811	76%	0.761	S	S	*	*			cis	-150.2	-166.8	22.2	-121.5	-58	0	0	0	110.8
751	A	29	Very low	28.9	Very low	75 Å²	75	140.3 Å²	140.3	62%	0.62	77%	0.768	S	S	*	*			trans	-75.1	166.7	-178.5	0	0	0	0	0	113.9
752	L	29.6	Very low	29.2	Very low	170 Å²	170	138.4 Å²	138.4	89%	0.89	76%	0.763	S	S	*	*			cis	-137.2	151.1	24.8	-73.9	157.6	0	0	0	113.8
753	P	27.5	Very low	29.5	Very low	111 Å²	111	141.8 Å²	141.8	72%	0.721	77%	0.769	S	S	*	*			trans	-102.2	168.4	173	39.8	-34	0	0	0	113.8
754	S	30.8	Very low	29.8	Very low	131 Å²	131	144.2 Å²	144.2	92%	0.916	77%	0.774	S	S	*	*			trans	-152.7	131.5	155	-73.9	0	0	0	0	108.4
755	S	30.2	Very low	29.9	Very low	117 Å²	117	141.4 Å²	141.4	82%	0.818	77%	0.767	S	S	*	*			trans	-119.5	169.6	-159.4	57.2	0	0	0	0	114.5
756	E	28.2	Very low	29.9	Very low	185 Å²	185	144.3 Å²	144.3	86%	0.864	78%	0.776	S	S	*	*			trans	-55.8	151.9	176.4	-52.8	163.7	122.5	0	0	113.5
757	I	32.3	Very low	29.8	Very low	177 Å²	177	141.6 Å²	141.6	91%	0.908	78%	0.775	S	S	*	*			trans	-127.8	138.9	150.4	-65.4	-177.5	0	0	0	107.2
758	R	28.8	Very low	29.8	Very low	224 Å²	224	146.2 Å²	146.2	85%	0.845	79%	0.787	S	S	*	*			trans	-125.9	138.8	-170.8	-172.2	179	-176	179.1	1.8	111.2
759	N	28.3	Very low	29.8	Very low	158 Å²	158	148 Å²	148	85%	0.845	80%	0.796	S	S	*	*			trans	-6.8	139.7	171.4	-50.5	6.5	0	0	0	119.4
760	A	29.2	Very low	29.9	Very low	81 Å²	81	150.6 Å²	150.6	67%	0.669	81%	0.806	S	S	*	*			trans	-146.8	121.5	158.7	0	0	0	0	0	112
761	Y	30.5	Very low	29.8	Very low	211 Å²	211	147.8 Å²	147.8	83%	0.827	81%	0.805	S	S	*	*			trans	65.7	109.8	157.5	-54.7	-62	0	0	0	122.4
762	T	30.3	Very low	29.8	Very low	106 Å²	106	151.4 Å²	151.4	65%	0.65	81%	0.813	S	S	*	*				25.9	143.8	114.3	52.8	0	0	0	0	119.6
763	E	29.9	Very low	29.8	Very low	165 Å²	165	149.2 Å²	149.2	77%	0.771	81%	0.806	S	S	*	*			cis	-156.5	176.1	15.3	-134.8	149.4	-144.6	0	0	113.4
764	D	31.2	Very low	30	Very low	150 Å²	150	149.7 Å²	149.7	80%	0.802	81%	0.809	S	S	*	*			trans	70.2	137.7	165.2	-75.6	-17.1	0	0	0	123.3
765	S	32.5	Very low	29.8	Very low	97 Å²	97	146.9 Å²	146.9	68%	0.678	80%	0.801	S	S	*	*			trans	75.8	84.9	154.2	-63.1	0	0	0	0	121.1
766	N	27.1	Very low	29.7	Very low	153 Å²	153	146.3 Å²	146.3	82%	0.818	80%	0.797	S	S	*	*				66	83.7	129.4	-51.2	-44.2	0	0	0	120.2
767	S	30.6	Very low	29.7	Very low	115 Å²	115	148.4 Å²	148.4	80%	0.804	80%	0.797	S	S	*	*				-176.9	127.6	117.9	52.3	0	0	0	0	113.9
768	E	29.3	Very low	29.6	Very low	185 Å²	185	146.9 Å²	146.9	86%	0.864	80%	0.796	S	S	*	*			trans	9.7	111	153.6	-56.6	174.8	138	0	0	119.5
769	L	30.7	Very low	29.4	Very low	173 Å²	173	142.8 Å²	142.8	91%	0.906	79%	0.787	S	S	*	*				-166.9	143.9	97.3	-122.7	106.8	0	0	0	111.6
770	E	31.3	Very low	29.4	Very low	193 Å²	193	140.9 Å²	140.9	90%	0.902	78%	0.783	S	S	*	*			trans	-88	148.8	-174.6	-71.2	-169	125.9	0	0	115.2
771	T	29.4	Very low	29.4	Very low	127 Å²	127	144.7 Å²	144.7	78%	0.779	79%	0.787	S	S	*	*			trans	-82.5	166.3	165	-1.3	0	0	0	0	112.2
772	L	27.1	Very low	29.2	Very low	150 Å²	150	141.4 Å²	141.4	79%	0.785	78%	0.782	S	S	*	*			trans	80.8	103.4	148.2	-73.4	162.5	0	0	0	121.4
773	V	29.5	Very low	29	Very low	125 Å²	125	145.4 Å²	145.4	76%	0.758	79%	0.791	S	S	*	*			trans	66.8	-170.1	144.6	-133.1	0	0	0	0	116.2
774	P	33.6	Very low	29.1	Very low	121 Å²	121	142.9 Å²	142.9	79%	0.786	79%	0.789	S	S	*	*				-120.5	142.6	-118.7	40.2	-23.7	0	0	0	117.5
775	G	26.6	Very low	29	Very low	72 Å²	72	144.8 Å²	144.8	74%	0.742	79%	0.792	S	S	*	*			trans	102.2	179.9	150	0	0	0	0	0	117.2
776	S	27.5	Very low	28.9	Very low	105 Å²	105	146.4 Å²	146.4	73%	0.734	80%	0.798	S	S	*	*			trans	69.8	133.3	-171.9	-158.1	0	0	0	0	116.3
777	W	26.9	Very low	29.2	Very low	228 Å²	228	145 Å²	145	86%	0.864	80%	0.796	S	S	*	*			trans	-93.4	145.6	-177.6	-64.9	63.1	0	0	0	111.4
778	T	30.2	Very low	28.9	Very low	145 Å²	145	146 Å²	146	89%	0.89	79%	0.792	S	S	*	*			trans	-159.1	155.4	130.4	1.2	0	0	0	0	114.2
779	E	26.3	Very low	29	Very low	138 Å²	138	145 Å²	145	65%	0.645	79%	0.791	S	S	*	*			trans	-51.5	136.7	-179.4	178	-175	150.3	0	0	116.8	Q781	E779-Q781 HydrophobicContact CG-CG 4.29Å; E779-Q781 VanDerWaalsContact OE1-CG 3.29Å; E779-Q781 WeakPolarHBondContact OE1-CG 3.37Å; E779-Q781 PolarHBondContact OE1-NE2 2.87Å
780	P	27.9	Very low	28.9	Very low	118 Å²	118	142.4 Å²	142.4	77%	0.766	78%	0.782	S	S	*	*			trans	-92.1	113.7	164.8	33.6	-28.5	0	0	0	111.4
781	Q	29.3	Very low	28.9	Very low	162 Å²	162	141 Å²	141	76%	0.757	78%	0.78	S	S	*	*			trans	-86.4	166.9	166.2	-69.4	-155.2	3.5	0	0	112.4	E779	E779-Q781 HydrophobicContact CG-CG 4.29Å; E779-Q781 VanDerWaalsContact OE1-CG 3.29Å; E779-Q781 WeakPolarHBondContact OE1-CG 3.37Å; E779-Q781 PolarHBondContact OE1-NE2 2.87Å
782	I	25.7	Very low	28.9	Very low	142 Å²	142	142.1 Å²	142.1	73%	0.728	78%	0.781	S	S	*	*			trans	-91.7	162.5	-169.2	-54.7	167.4	0	0	0	110.4
783	F	26.6	Very low	29.1	Very low	190 Å²	190	141.7 Å²	141.7	83%	0.833	78%	0.779	S	S	*	*			trans	109.1	150.8	163.9	-62.7	-68.5	0	0	0	116.2
784	P	32.7	Very low	29.2	Very low	112 Å²	112	142.7 Å²	142.7	73%	0.727	78%	0.778	S	S	*	*			trans	-116.1	161.1	-134.1	41.4	-34.5	0	0	0	115.6
785	H	27.8	Very low	29.2	Very low	189 Å²	189	143.3 Å²	143.3	88%	0.875	77%	0.774	S	S	*	*			trans	-72.4	127.9	166	-76.4	-87.4	0	0	0	112.6
786	V	30.7	Very low	29.5	Very low	132 Å²	132	147.6 Å²	147.6	80%	0.8	78%	0.775	S	S	*	*			trans	-129.6	143.7	138.6	179.4	0	0	0	0	107
787	T	33.1	Very low	29.5	Very low	124 Å²	124	150.3 Å²	150.3	76%	0.761	78%	0.78	S	S	*	*			trans	-52.4	132.4	-175.9	45.1	0	0	0	0	113.1
788	N	25.8	Very low	29.7	Very low	135 Å²	135	144.5 Å²	144.5	72%	0.722	77%	0.772	S	S	*	*				77.7	109.1	53.7	-166.7	20.3	0	0	0	113.2
789	I	31.2	Very low	29.7	Very low	164 Å²	164	146.8 Å²	146.8	84%	0.841	77%	0.77	S	S	*	*			trans	177.1	143.9	136	-91.4	157.3	0	0	0	109.3
790	T	27.4	Very low	29.9	Very low	119 Å²	119	146 Å²	146	73%	0.73	77%	0.774	S	S	*	*			trans	-106.6	137.3	-170.8	-46.9	0	0	0	0	112
791	L	31.9	Very low	29.9	Very low	163 Å²	163	145.4 Å²	145.4	85%	0.853	77%	0.773	S	S	*	*				175.2	138.7	126.7	-96.3	160.8	0	0	0	111.4
792	N	28.3	Very low	29.9	Very low	150 Å²	150	143.6 Å²	143.6	80%	0.802	77%	0.772	S	S	*	*			trans	-86.1	133.8	158.8	-69.5	-27.3	0	0	0	107.6
793	D	32.9	Very low	30.2	Very low	141 Å²	141	142.9 Å²	142.9	75%	0.754	78%	0.775	S	S	*	*				-159	157.8	118.5	-124.3	-28.2	0	0	0	113.3
794	M	31.4	Very low	30.3	Very low	146 Å²	146	138 Å²	138	72%	0.719	76%	0.764	S	S	*	*			trans	23.2	118.4	165	-60	-61	97.6	0	0	121.9
795	D	33.1	Very low	30.4	Very low	134 Å²	134	138.1 Å²	138.1	72%	0.717	76%	0.759	S	S	*	*				81.6	136	129.7	-85.7	-10.9	0	0	0	125.2
796	Q	32.4	Very low	30.8	Very low	163 Å²	163	137.4 Å²	137.4	76%	0.762	75%	0.753	S	S	*	*			trans	70.7	92.3	145.1	-68.5	-179.9	80.6	0	0	122
797	L	27.3	Very low	30.9	Very low	161 Å²	161	136.1 Å²	136.1	84%	0.843	75%	0.749	S	S	*	*				76.2	128.8	117.4	-155.6	71	0	0	0	119.3
798	P	31.7	Very low	30.9	Very low	106 Å²	106	137 Å²	137	69%	0.688	75%	0.748	S	S	*	*			trans	-98.7	164.5	-169.1	38.9	-37.2	0	0	0	115
799	K	30.8	Very low	31.2	Very low	193 Å²	193	137.9 Å²	137.9	84%	0.839	75%	0.753	S	S	*	*			trans	-165.5	117.4	145.6	-109.2	148.2	-173.4	174.3	0	116.4
800	V	29.5	Very low	31.1	Very low	123 Å²	123	135.2 Å²	135.2	75%	0.745	74%	0.744	S	S	*	*				65.6	147.6	117	174.4	0	0	0	0	121.1
801	S	29.3	Very low	31.3	Very low	104 Å²	104	133.9 Å²	133.9	73%	0.727	74%	0.739	S	S	*	*			trans	74.2	137.7	163.6	48.3	0	0	0	0	119.1
802	V	28.6	Very low	31.5	Very low	124 Å²	124	134.7 Å²	134.7	75%	0.752	74%	0.736	S	S	*	*			cis	125.2	151.9	4.4	158	0	0	0	0	110.9
803	T	30.9	Very low	31.7	Very low	127 Å²	127	133.8 Å²	133.8	78%	0.779	73%	0.73	S	S	*	*			trans	68.5	144.9	173.3	42.4	0	0	0	0	117.8
804	S	30.1	Very low	31.7	Very low	87 Å²	87	133.1 Å²	133.1	61%	0.608	73%	0.725	S	S	*	*			cis	-167.4	170.8	-13.1	53.8	0	0	0	0	114.7
805	D	33.9	Very low	31.8	Very low	115 Å²	115	134.8 Å²	134.8	62%	0.615	73%	0.731	S	S	*	*			trans	93	141.7	136	-72.4	-23.1	0	0	0	124.7
806	K	36.6	Very low	31.9	Very low	175 Å²	175	133.3 Å²	133.3	76%	0.761	73%	0.731	S	S	*	*			trans	74.9	136.5	154.6	-64.5	137.3	-163.5	139.7	0	117.9
807	C	33.4	Very low	31.7	Very low	105 Å²	105	132.6 Å²	132.6	71%	0.709	73%	0.732	S	S	*	*			cis	-160.7	134.5	-12.6	-121.1	0	0	0	0	114.5
808	L	31.6	Very low	32.2	Very low	141 Å²	141	129.8 Å²	129.8	74%	0.738	72%	0.724	S	S	*	*			trans	27.6	118.5	140.8	-56	172.9	0	0	0	122.3
809	N	33.5	Very low	32.2	Very low	154 Å²	154	129.4 Å²	129.4	82%	0.824	72%	0.724	S	S	*	*				171.4	158.5	109.7	-98	-13.9	0	0	0	112.7
810	V	27.6	Very low	32.5	Very low	109 Å²	109	127.8 Å²	127.8	66%	0.661	72%	0.721	S	S	*	*			cis	-174.7	154	-48.7	129.7	0	0	0	0	109.4
811	S	33.1	Very low	32.6	Very low	90 Å²	90	129.3 Å²	129.3	63%	0.629	73%	0.725	S	S	*	*			trans	74.1	145.8	177.1	-62	0	0	0	0	116.3
812	K	34.9	Very low	32.7	Very low	181 Å²	181	127.5 Å²	127.5	79%	0.787	72%	0.722	S	S	*	*			cis	-164.3	173.6	-7.6	-105.4	166.2	-167.7	172.1	0	106
813	I	33.4	Very low	33	Very low	130 Å²	130	133 Å²	133	67%	0.667	73%	0.729	S	S	*	*			cis	-152.5	143.1	9.6	-130.9	159.8	0	0	0	106.5
814	I	33.3	Very low	33	Very low	127 Å²	127	132.2 Å²	132.2	65%	0.651	73%	0.729	S	S	*	*				46.4	129.9	103.3	-49.6	-176.1	0	0	0	114.1
815	E	32.9	Very low	33.2	Very low	181 Å²	181	133.2 Å²	133.2	85%	0.846	74%	0.736	S	S	*	*			cis	-139.1	173.1	11.4	-141.1	110	-127.6	0	0	107.7
816	S	35	Very low	33	Very low	103 Å²	103	133.5 Å²	133.5	72%	0.72	75%	0.747	S	S	*	*			cis	-154.5	-149.8	2.3	76.4	0	0	0	0	111.3
817	N	27.8	Very low	32.9	Very low	148 Å²	148	129.8 Å²	129.8	79%	0.791	75%	0.749	S	S	*	*			trans	-168.3	-179.3	175.7	-113	-39.8	0	0	0	107.2
818	P	38.4	Very low	32.8	Very low	103 Å²	103	127.6 Å²	127.6	67%	0.669	74%	0.744	S	S	*	*			cis	-140	-157.9	-22.3	38	-16.6	0	0	0	113.7
819	S	32.7	Very low	32.8	Very low	98 Å²	98	128.1 Å²	128.1	69%	0.685	75%	0.748	S	S	*	*			trans	86.7	153.4	153.1	87	0	0	0	0	118.9
820	M	36.9	Very low	32.6	Very low	159 Å²	159	126.4 Å²	126.4	78%	0.783	74%	0.738	S	S	*	*			cis	-137	177.5	9	-90.8	-78.7	94.3	0	0	112.5
821	L	30.4	Very low	32.8	Very low	155 Å²	155	129.5 Å²	129.5	81%	0.812	74%	0.743	S	S	*	*			trans	-23.2	156.8	173.2	-75.1	62.2	0	0	0	120
822	G	32.2	Very low	32.4	Very low	65 Å²	65	130.1 Å²	130.1	67%	0.67	75%	0.747	S	S	*	*			cis	153.4	-179.2	-2.5	0	0	0	0	0	114.8
823	R	34.9	Very low	32.1	Very low	240 Å²	240	128.5 Å²	128.5	91%	0.906	75%	0.746	S	S	*	*			trans	72.4	122.6	180	-44	176.8	100.3	159.1	4.6	113.6
824	S	30.3	Very low	31.9	Very low	111 Å²	111	129.6 Å²	129.6	78%	0.776	75%	0.748	S	S	*	*			cis	71.9	142.6	34	-38.1	0	0	0	0	112.9
825	S	34.8	Very low	31.8	Very low	107 Å²	107	129.7 Å²	129.7	75%	0.748	75%	0.746	S	S	*	*			cis	-160.7	168.9	30	-51.8	0	0	0	0	113.7
826	S	30	Very low	31.6	Very low	121 Å²	121	125.9 Å²	125.9	85%	0.846	73%	0.731	S	S	*	*			trans	64.5	144	140.2	-172.2	0	0	0	0	119.3
827	A	34.3	Very low	31.3	Very low	97 Å²	97	128.5 Å²	128.5	80%	0.802	73%	0.732	S	S	*	*			cis	-162.7	168.7	-20.3	0	0	0	0	0	105.2
828	G	31.9	Very low	31.3	Very low	59 Å²	59	128.7 Å²	128.7	61%	0.608	73%	0.732	S	S	*	*			cis	-172.7	174.7	9.4	0	0	0	0	0	108.2
829	N	30.2	Very low	30.9	Very low	153 Å²	153	129 Å²	129	82%	0.818	73%	0.734	S	S	*	*				60.5	124.7	95.1	-75.8	8.1	0	0	0	114.3
830	L	30.3	Very low	30.6	Very low	118 Å²	118	129.6 Å²	129.6	62%	0.618	74%	0.738	S	S	*	*			cis	-163.2	160.3	15.9	-108.8	166.3	0	0	0	113.1
831	F	31.2	Very low	30	Very low	174 Å²	174	127.5 Å²	127.5	76%	0.763	74%	0.737	S	S	*	*			trans	59.4	130.6	165.4	-55	-55.8	0	0	0	118.4
832	S	25.3	Very low	29.8	Very low	102 Å²	102	124.8 Å²	124.8	71%	0.713	73%	0.731	S	S	*	*			cis	97.9	160.6	30.3	-63	0	0	0	0	114.2
833	L	29.1	Very low	29.7	Very low	148 Å²	148	126.9 Å²	126.9	78%	0.775	73%	0.726	S	S	*	*			trans	83.1	114.5	-177.5	-51.5	179.2	0	0	0	112.7
834	Q	28	Very low	29.3	Very low	152 Å²	152	121.1 Å²	121.1	71%	0.71	71%	0.709	S	S	*	*				73.7	149.1	89.4	-94.5	177.5	-31.1	0	0	112.8
835	H	31.2	Very low	29.2	Very low	130 Å²	130	119.3 Å²	119.3	60%	0.602	71%	0.709	S	S	*	*			cis	-157.9	158.3	10.1	-141.6	-51.4	0	0	0	109.8
836	N	28.9	Very low	28.8	Very low	100 Å²	100	119.9 Å²	119.9	54%	0.535	71%	0.713	S	S	.	*			trans	62.9	128.7	153.2	-79.8	7.3	0	0	0	119.5
837	Q	28.3	Very low	28.8	Very low	158 Å²	158	119.1 Å²	119.1	74%	0.738	71%	0.713	S	S	*	*				82.6	153.7	55.1	-73.7	-176.2	-4.4	0	0	114
838	I	28.9	Very low	28.4	Very low	153 Å²	153	120.7 Å²	120.7	79%	0.785	71%	0.713	S	S	*	*			trans	81.4	138.4	167.5	-68.7	153.9	0	0	0	114.6
839	P	30.3	Very low	28.3	Very low	110 Å²	110	123.9 Å²	123.9	71%	0.714	72%	0.721	S	S	*	*			trans	-133.3	-154.9	-138.6	43.6	-25.5	0	0	0	114
840	S	25.5	Very low	28.2	Very low	110 Å²	110	122.5 Å²	122.5	77%	0.769	72%	0.718	S	S	*	*			trans	92.3	157.6	154.8	82.2	0	0	0	0	119.6
841	C	24.8	Very low	28	Very low	114 Å²	114	122.5 Å²	122.5	77%	0.77	73%	0.728	S	S	*	*			trans	70.6	84.5	164.8	-91.1	0	0	0	0	121.5
842	S	26.8	Very low	27.8	Very low	98 Å²	98	118.7 Å²	118.7	69%	0.685	72%	0.723	S	S	*	*				103.5	158.5	100.6	80.1	0	0	0	0	121.7
843	I	28.9	Very low	27.9	Very low	110 Å²	110	123.3 Å²	123.3	56%	0.564	73%	0.731	S	S	*	*			trans	79.6	105.5	158.9	-63.5	165.2	0	0	0	117.4
844	Q	26.6	Very low	27.9	Very low	118 Å²	118	119.7 Å²	119.7	55%	0.551	73%	0.73	S	S	*	*			trans	-64.9	151.2	161.9	-26.2	107.6	-29.5	0	0	111	K1031	Q844-K1031 PolarHBondContact O-NZ 3.02Å
845	G	27.5	Very low	28	Very low	74 Å²	74	117.5 Å²	117.5	76%	0.763	73%	0.731	S	S	*	*			trans	-163.2	104.6	174.7	0	0	0	0	0	114.9
846	S	26.8	Very low	27.9	Very low	119 Å²	119	117.7 Å²	117.7	83%	0.832	74%	0.741	S	S	*	*			trans	-34	135.4	176.3	-47.4	0	0	0	0	118
847	A	29.6	Very low	27.8	Very low	104 Å²	104	119.6 Å²	119.6	86%	0.86	75%	0.747	S	S	*	*			trans	-119.7	105.4	154	0	0	0	0	0	109.3
848	T	27.1	Very low	27.9	Very low	130 Å²	130	117.3 Å²	117.3	80%	0.798	74%	0.739	S	S	*	*			trans	-87.2	121.3	-179.8	45	0	0	0	0	112
849	T	30.5	Very low	27.8	Very low	126 Å²	126	117.3 Å²	117.3	77%	0.773	74%	0.74	S	S	*	*			trans	-141.6	97	160.9	47.8	0	0	0	0	112.8
850	T	26.8	Very low	27.7	Very low	124 Å²	124	116.8 Å²	116.8	76%	0.761	74%	0.739	S	S	*	*				46.6	115.9	129.5	57.9	0	0	0	0	121.3
851	S	25.8	Very low	27.8	Very low	118 Å²	118	117 Å²	117	83%	0.825	74%	0.737	S	S	*	*				88.1	163.9	123.6	81.7	0	0	0	0	121.8
852	S	27.8	Very low	27.9	Very low	95 Å²	95	119.6 Å²	119.6	66%	0.664	74%	0.74	S	S	*	*			trans	87.9	96.7	160.6	-161.5	0	0	0	0	119.5
853	F	27.8	Very low	28	Very low	198 Å²	198	124.4 Å²	124.4	87%	0.868	75%	0.749	S	S	*	*			trans	29.7	115.4	131.6	-53.1	-75.1	0	0	0	118.8
854	G	27.6	Very low	28	Very low	73 Å²	73	123.1 Å²	123.1	75%	0.753	75%	0.75	S	S	*	*			trans	-79.5	-170.7	173.7	0	0	0	0	0	114.2
855	S	29.8	Very low	28.1	Very low	106 Å²	106	124.4 Å²	124.4	74%	0.741	76%	0.76	S	S	*	*			trans	-169.3	152	163.3	-86.7	0	0	0	0	113.3
856	T	30.4	Very low	28.4	Very low	133 Å²	133	130.5 Å²	130.5	82%	0.816	77%	0.769	S	S	*	*			trans	55.2	103	148.3	53.9	0	0	0	0	120
857	E	25.9	Very low	28.4	Very low	140 Å²	140	134.8 Å²	134.8	65%	0.654	77%	0.772	S	S	*	*			trans	-55.1	-178.8	132.9	-64.4	180	166	0	0	112.9	K918	E857-K918 IonicContact OE1-NZ 3.52Å; E857-K918 IonicContact OE2-NZ 3.8Å; E857-K918 PolarHBondContact OE2-NZ 3.05Å
858	I	30.2	Very low	28.4	Very low	111 Å²	111	133 Å²	133	57%	0.569	76%	0.764	S	S	*	*			trans	90.7	92.8	155.8	-45.8	-167.4	0	0	0	117.7
859	L	28	Very low	28.5	Very low	153 Å²	153	135.8 Å²	135.8	80%	0.801	77%	0.765	S	S	*	*			trans	64.6	120.2	137	-56.6	174.2	0	0	0	121.7
860	S	28.5	Very low	28.3	Very low	99 Å²	99	136.3 Å²	136.3	69%	0.692	76%	0.762	S	S	*	*				35.9	126.6	121.7	-50.2	0	0	0	0	120.6	M862	S860-M862 PolarHBondContact O-N 3.48Å
861	P	26.6	Very low	28.4	Very low	113 Å²	113	140.7 Å²	140.7	73%	0.734	77%	0.767	S	S	*	*			trans	-73.2	118.9	177.9	30.5	-34.3	0	0	0	112.8	F863	P861-F863 HydrophobicContact CB-CE2 4.44Å; P861-F863 HydrophobicContact CG-CE2 4.47Å; P861-F863 PolarHBondContact O-N 3.41Å
862	M	26.8	Very low	28.5	Very low	170 Å²	170	139 Å²	139	84%	0.837	76%	0.76	S	S	*	*			trans	-72	110	155.7	-77.4	-169.6	74.8	0	0	109.4	S860	S860-M862 PolarHBondContact O-N 3.48Å
863	F	29.7	Very low	28.6	Very low	199 Å²	199	141.4 Å²	141.4	87%	0.873	77%	0.771	S	S	*	*			trans	-80.6	111.2	159	-83.7	-85.6	0	0	0	109	P861	P861-F863 HydrophobicContact CB-CE2 4.44Å; P861-F863 HydrophobicContact CG-CE2 4.47Å; P861-F863 PolarHBondContact O-N 3.41Å
864	S	27.9	Very low	28.5	Very low	83 Å²	83	137.4 Å²	137.4	58%	0.58	77%	0.767	S	S	*	*			trans	-137.7	144.6	169.2	60.2	0	0	0	0	111.3
865	N	28.3	Very low	28.9	Very low	144 Å²	144	139.3 Å²	139.3	77%	0.77	77%	0.766	S	S	*	*			trans	61.8	97.6	171.2	-60.1	-32.6	0	0	0	118.4
866	H	34	Very low	28.7	Very low	203 Å²	203	139.4 Å²	139.4	94%	0.94	77%	0.767	S	S	*	*				-112.6	139.2	129.2	-96.6	-95.1	0	0	0	109.3
867	K	28.5	Very low	28.4	Very low	208 Å²	208	138.2 Å²	138.2	90%	0.904	76%	0.763	S	S	*	*			trans	-86.9	149.6	-171.2	-57.8	175.4	178.9	-178.8	0	111.8
868	G	28.1	Very low	28.4	Very low	66 Å²	66	136.8 Å²	136.8	68%	0.68	77%	0.768	S	S	*	*			trans	-171.6	103.3	168.3	0	0	0	0	0	115
869	F	29.8	Very low	28.8	Very low	190 Å²	190	137.3 Å²	137.3	83%	0.833	78%	0.779	S	S	*	*			trans	51.6	95.1	154.3	-69.9	-86.3	0	0	0	121.7
870	L	26.6	Very low	29	Very low	136 Å²	136	135.6 Å²	135.6	71%	0.712	78%	0.777	S	S	*	*				34.3	119.1	113.4	-57.1	174	0	0	0	119.6
871	Y	28.7	Very low	29.2	Very low	217 Å²	217	136.5 Å²	136.5	85%	0.851	78%	0.783	S	S	*	*				166.8	100.1	110.6	-99.3	-83.8	0	0	0	106.5
872	A	26.8	Very low	29.4	Very low	82 Å²	82	138.5 Å²	138.5	68%	0.678	79%	0.786	S	S	*	*				72.5	88.6	66.6	0	0	0	0	0	114.8
873	T	30.6	Very low	29.6	Very low	146 Å²	146	135.1 Å²	135.1	90%	0.896	78%	0.779	S	S	*	*				-167.9	135.4	128.3	29.3	0	0	0	0	111.9
874	S	25.7	Very low	29.6	Very low	113 Å²	113	129.6 Å²	129.6	79%	0.79	76%	0.756	S	S	*	*			trans	-124.9	-172.4	163.8	-30	0	0	0	0	106.8
875	P	35.5	Very low	29.8	Very low	114 Å²	114	128.5 Å²	128.5	74%	0.74	74%	0.742	S	S	*	*			cis	-137.6	-172.5	-17.7	35.1	-14.8	0	0	0	114.1
876	S	25.5	Very low	29.8	Very low	108 Å²	108	126.6 Å²	126.6	76%	0.755	73%	0.732	S	S	*	*			trans	92.2	157.1	135.2	-153.4	0	0	0	0	122.2
877	C	24.1	Very low	29.7	Very low	108 Å²	108	123.4 Å²	123.4	73%	0.73	72%	0.722	S	S	*	*			trans	88.2	105.7	159	-63.9	0	0	0	0	120.6
878	S	27.3	Very low	29.8	Very low	110 Å²	110	122.8 Å²	122.8	77%	0.769	72%	0.722	S	S	*	*			trans	95.1	106.4	136.3	-54.4	0	0	0	0	120.4
879	P	38.4	Very low	29.8	Very low	122 Å²	122	129.3 Å²	129.3	79%	0.792	74%	0.735	S	S	*	*			trans	-77.7	166.5	148.8	37.4	-34.7	0	0	0	110.3
880	P	32.1	Very low	29.7	Very low	117 Å²	117	125.1 Å²	125.1	76%	0.76	74%	0.735	S	S	*	*				-154.3	-176.7	100.3	40.8	-23	0	0	0	116.6
881	S	31.3	Very low	29.8	Very low	118 Å²	118	128.2 Å²	128.2	83%	0.825	74%	0.743	S	S	*	*			trans	94	141.7	153.2	-58.5	0	0	0	0	119.5
882	I	31.5	Very low	29.8	Very low	154 Å²	154	126.8 Å²	126.8	79%	0.79	74%	0.744	S	S	*	*			trans	-139	132.9	-166.7	-69.9	165.8	0	0	0	108.5	E884	I882-E884 HydrophobicContact CG2-CG 4.46Å
883	S	30.8	Very low	30	Very low	100 Å²	100	130.9 Å²	130.9	70%	0.699	75%	0.752	S	S	*	*			trans	-174.7	150.1	130.4	50.6	0	0	0	0	115.1
884	E	30.5	Very low	30.1	Very low	83 Å²	83	132.5 Å²	132.5	39%	0.388	76%	0.755	S	S	.	*			cis	-171.7	161.4	-17.9	-101.1	164.6	155.4	0	0	109.6	P388 R389 V390 I882	P388-E884 WeakPolarHBondContact CA-OE1 3.38Å; P388-E884 HydrophobicContact CB-CB 4.15Å; P388-E884 HydrophobicContact CB-CG 3.51Å; R389-E884 VanDerWaalsContact C-CB 3.45Å; R389-E884 PolarHBondContact N-OE1 3.3Å; R389-E884 PolarHBondContact N-OE2 3.31Å; V390-E884 WeakPolarHBondContact CA-O 3.39Å; V390-E884 VanDerWaalsContact N-CB 3.33Å; V390-E884 PolarHBondContact N-O 3.37Å; I882-E884 HydrophobicContact CG2-CG 4.46Å
885	Q	31.8	Very low	30.5	Very low	60 Å²	60	129.7 Å²	129.7	28%	0.28	74%	0.744	S	S	.	*			trans	55.2	130.5	156.6	-83.7	-138.3	-44	0	0	123.2	P388 V390	P388-Q885 VanDerWaalsContact C-CG 3.49Å; P388-Q885 HydrophobicContact CB-CG 3.65Å; P388-Q885 HydrophobicContact CG-CG 3.57Å; P388-Q885 VanDerWaalsContact O-CG 3.28Å; P388-Q885 WeakPolarHBondContact O-CG 3.41Å; P388-Q885 PolarHBondContact O-OE1 2.87Å; P388-Q885 VanDerWaalsContact O-OE1 3.05Å; V390-Q885 HydrophobicContact CB-CB 4.49Å; V390-Q885 HydrophobicContact CG2-CB 3.43Å; V390-Q885 VanDerWaalsContact CG2-CB 3.43Å
886	N	29.3	Very low	30.7	Very low	103 Å²	103	129 Å²	129	55%	0.551	73%	0.734	S	S	*	*				80.7	137.6	78.5	-74.8	64.7	0	0	0	114.4
887	D	30.4	Very low	31.9	Very low	137 Å²	137	127 Å²	127	73%	0.733	72%	0.719	S	S	*	*	S	Bend	cis	-122.3	176.5	8.5	-82.7	-56.7	0	0	0	113.4
888	Q	31.5	Very low	33	Very low	195 Å²	195	123.9 Å²	123.9	91%	0.911	70%	0.699	S	S	*	*			trans	92.6	48.8	-178.5	-52.6	-171.5	34	0	0	117.9
889	Q	26.9	Very low	33.9	Very low	202 Å²	202	122.4 Å²	122.4	94%	0.944	68%	0.68	S	S	*	*			trans	-121.8	107.2	157.4	-77.2	-168.9	-9.2	0	0	111.8
890	A	28.1	Very low	34.5	Very low	102 Å²	102	120 Å²	120	84%	0.843	66%	0.658	S	S	*	*			trans	-153.2	41.6	174.7	0	0	0	0	0	111.6
891	K	30.1	Very low	35.4	Very low	201 Å²	201	121.7 Å²	121.7	87%	0.874	65%	0.649	S	S	*	*	S	Bend	trans	-153.5	27.8	-173.7	-123.4	168.4	-171.9	176.3	0	117.1
892	H	27.7	Very low	36.4	Very low	188 Å²	188	120.2 Å²	120.2	87%	0.87	63%	0.626	S	S	*	*	S	Bend	trans	-135.1	163.4	162.2	-114.9	-114.4	0	0	0	108.8
893	I	31.3	Very low	37.7	Very low	168 Å²	168	119.5 Å²	119.5	86%	0.862	61%	0.613	S	S	*	*			trans	66	57	-170.4	-37.4	173.9	0	0	0	113.1	G895	I893-G895 PolarHBondContact O-N 2.78Å
894	L	31.9	Very low	39.1	Very low	180 Å²	180	118.7 Å²	118.7	94%	0.942	60%	0.598	S	S	*	*			trans	-87.3	99.5	161.4	-166.4	72.1	0	0	0	108.7
895	G	34.9	Very low	40.6	Very low	54 Å²	54	118.4 Å²	118.4	56%	0.557	61%	0.606	S	S	*	*			trans	-70.8	162.5	-168.9	0	0	0	0	0	115.5	I893 S897	I893-G895 PolarHBondContact O-N 2.78Å; G895-S897 PolarHBondContact O-N 2.87Å
896	N	38.8	Very low	41.7	Very low	99 Å²	99	121.5 Å²	121.5	53%	0.529	62%	0.621	S	S	.	*			trans	-42.6	125.7	-179.3	-53.2	10.5	0	0	0	112.1	E900	N896-E900 HydrophobicContact CB-CG 4.35Å
897	S	50.7	Low	43.1	Very low	65 Å²	65	122 Å²	122	46%	0.455	62%	0.62	S	S	.	*			trans	-54	153.5	-177.5	178.3	0	0	0	0	112.9	G895 E899 E900 R901	G895-S897 PolarHBondContact O-N 2.87Å; S897-E899 PolarHBondContact O-N 3.46Å; S897-E899 WeakPolarHBondContact OG-CB 3.39Å; S897-E899 PolarHBondContact OG-N 3.4Å; S897-E900 PolarHBondContact O-N 3.08Å; S897-R901 PolarHBondContact O-N 3.13Å
898	S	47.9	Very low	44.4	Very low	44 Å²	44	118.3 Å²	118.3	31%	0.308	61%	0.606	S	S	.	*	H	α-helix	trans	-59.3	-26.9	169	60.9	0	0	0	0	112.1	Q245 R902	Q245-S898 PolarHBondContact OE1-OG 3.22Å; S898-R902 WeakPolarHBondContact O-CB 3.44Å; S898-R902 PolarHBondContact O-N 3.09Å; S898-R902 VanDerWaalsContact O-N 3.16Å; S898-R902 PolarHBondContact O-NE 2.99Å; S898-R902 PolarHBondContact O-NH2 2.93Å
899	E	46.5	Very low	45.8	Very low	79 Å²	79	111 Å²	111	37%	0.369	58%	0.582	S	S	.	*	H	α-helix	trans	-67.9	-44.9	171.4	-166.6	66	-168.1	0	0	111.5	S897 R902 R903	S897-E899 PolarHBondContact O-N 3.46Å; S897-E899 WeakPolarHBondContact OG-CB 3.39Å; S897-E899 PolarHBondContact OG-N 3.4Å; E899-R902 PolarHBondContact O-N 3.06Å; E899-R902 IonicContact OE2-CZ 3.2Å; E899-R902 IonicContact OE2-NH1 2.61Å; E899-R902 IonicContact OE2-NH2 3.82Å; E899-R902 PolarHBondContact OE2-NH2 3.18Å; E899-R903 WeakPolarHBondContact O-CG 3.4Å; E899-R903 PolarHBondContact O-N 3.09Å; E899-R903 IonicContact OE1-NH2 3.45Å
900	E	51.1	Low	47.4	Very low	71 Å²	71	104.1 Å²	104.1	33%	0.332	55%	0.552	S	S	.	*	H	α-helix	trans	-68.6	-40.4	-179.9	-176.3	53.1	-149.2	0	0	111.4	N896 S897 R902 R903 Q904	N896-E900 HydrophobicContact CB-CG 4.35Å; S897-E900 PolarHBondContact O-N 3.08Å; E900-R902 PolarHBondContact O-N 2.99Å; E900-R903 PolarHBondContact O-N 2.85Å; E900-Q904 WeakPolarHBondContact O-CB 3.49Å; E900-Q904 VanDerWaalsContact O-CG 3.28Å; E900-Q904 WeakPolarHBondContact O-CG 3.45Å; E900-Q904 PolarHBondContact O-N 3.13Å; E900-Q904 PolarHBondContact OE1-NE2 3.45Å
901	R	49.8	Very low	48.9	Very low	153 Å²	153	104.8 Å²	104.8	58%	0.577	54%	0.538	S	S	*	.	H	α-helix	trans	-67.2	-35.2	174.8	-159.8	-179.6	-65	-160.7	-1.4	112.5	S897 Q904 S905	S897-R901 PolarHBondContact O-N 3.13Å; R901-Q904 PolarHBondContact O-N 2.98Å; R901-S905 WeakPolarHBondContact O-CB 3.43Å; R901-S905 PolarHBondContact O-N 3.43Å
902	R	53.4	Low	50.5	Low	86 Å²	86	99.1 Å²	99.1	33%	0.325	52%	0.52	S	S	.	.	H	α-helix	trans	-68.6	-38.3	171.4	-97.4	178.1	-62.3	129.8	23.1	112.5	Q245 S898 E899 E900 S905 M906	Q245-R902 VanDerWaalsContact CD-NH2 3.31Å; S898-R902 WeakPolarHBondContact O-CB 3.44Å; S898-R902 PolarHBondContact O-N 3.09Å; S898-R902 VanDerWaalsContact O-N 3.16Å; S898-R902 PolarHBondContact O-NE 2.99Å; S898-R902 PolarHBondContact O-NH2 2.93Å; E899-R902 PolarHBondContact O-N 3.06Å; E899-R902 IonicContact OE2-CZ 3.2Å; E899-R902 IonicContact OE2-NH1 2.61Å; E899-R902 IonicContact OE2-NH2 3.82Å; E899-R902 PolarHBondContact OE2-NH2 3.18Å; E900-R902 PolarHBondContact O-N 2.99Å; R902-S905 PolarHBondContact O-N 3Å; R902-M906 WeakPolarHBondContact O-CB 3.48Å; R902-M906 PolarHBondContact O-N 3.35Å
903	R	58.9	Low	51.8	Low	140 Å²	140	93 Å²	93	53%	0.528	49%	0.493	S	S	.	.	H	α-helix	trans	-59.9	-46.8	171.5	-75.5	174.2	-176.4	-178.2	0.5	111.3	E899 E900 S905 M906 Q907	E899-R903 WeakPolarHBondContact O-CG 3.4Å; E899-R903 PolarHBondContact O-N 3.09Å; E899-R903 IonicContact OE1-NH2 3.45Å; E900-R903 PolarHBondContact O-N 2.85Å; R903-S905 PolarHBondContact O-N 3.1Å; R903-M906 PolarHBondContact O-N 3.28Å; R903-Q907 WeakPolarHBondContact O-CB 3.48Å; R903-Q907 PolarHBondContact O-N 2.83Å
904	Q	60.2	Low	53.1	Low	83 Å²	83	90 Å²	90	39%	0.388	47%	0.471	S	S	.	.	H	α-helix	trans	-63	-40	177.2	-70.3	170.3	8.8	0	0	112.3	E900 R901 S908	E900-Q904 WeakPolarHBondContact O-CB 3.49Å; E900-Q904 VanDerWaalsContact O-CG 3.28Å; E900-Q904 WeakPolarHBondContact O-CG 3.45Å; E900-Q904 PolarHBondContact O-N 3.13Å; E900-Q904 PolarHBondContact OE1-NE2 3.45Å; R901-Q904 PolarHBondContact O-N 2.98Å; Q904-S908 WeakPolarHBondContact O-CB 3.27Å; Q904-S908 PolarHBondContact O-N 3.29Å; Q904-S908 PolarHBondContact O-OG 2.88Å
905	S	61.2	Low	54.4	Low	77 Å²	77	86.9 Å²	86.9	54%	0.538	45%	0.452	S	S	.	.	H	α-helix	trans	-64.3	-51.9	173.7	172.6	0	0	0	0	112.2	R901 R902 R903 Q907 S908 G909	R901-S905 WeakPolarHBondContact O-CB 3.43Å; R901-S905 PolarHBondContact O-N 3.43Å; R902-S905 PolarHBondContact O-N 3Å; R903-S905 PolarHBondContact O-N 3.1Å; S905-Q907 VanDerWaalsContact C-N 3.29Å; S905-Q907 PolarHBondContact O-N 3.45Å; S905-S908 WeakPolarHBondContact CA-OG 3.46Å; S905-S908 WeakPolarHBondContact O-CA 3.27Å; S905-S908 PolarHBondContact O-N 3.47Å; S905-S908 PolarHBondContact O-OG 2.94Å; S905-G909 PolarHBondContact O-N 3.3Å
906	M	54.2	Low	55.5	Low	125 Å²	125	88 Å²	88	62%	0.616	44%	0.444	S	S	*	.	H	α-helix	trans	-59.1	-40.6	176.1	-170.4	-160.1	-51.2	0	0	111.9	R902 R903 G909 L910	R902-M906 WeakPolarHBondContact O-CB 3.48Å; R902-M906 PolarHBondContact O-N 3.35Å; R903-M906 PolarHBondContact O-N 3.28Å; M906-G909 PolarHBondContact O-N 3.4Å; M906-L910 HydrophobicContact CG-CD1 4.32Å; M906-L910 WeakPolarHBondContact O-CB 3.31Å; M906-L910 WeakPolarHBondContact O-CG 3.32Å; M906-L910 PolarHBondContact O-N 3.11Å
907	Q	60.1	Low	56.4	Low	112 Å²	112	84.3 Å²	84.3	52%	0.523	43%	0.425	S	S	.	.	H	α-helix	trans	-65.1	-37.4	175	-178.3	173.8	-12.5	0	0	111.7	R903 S905 Q911	R903-Q907 WeakPolarHBondContact O-CB 3.48Å; R903-Q907 PolarHBondContact O-N 2.83Å; S905-Q907 VanDerWaalsContact C-N 3.29Å; S905-Q907 PolarHBondContact O-N 3.45Å; Q907-Q911 WeakPolarHBondContact O-CB 3.34Å; Q907-Q911 PolarHBondContact O-N 2.9Å
908	S	58	Low	56.7	Low	61 Å²	61	84.7 Å²	84.7	43%	0.427	42%	0.418	S	S	.	.	H	α-helix	trans	-67.7	-41.1	173.3	69.9	0	0	0	0	112.5	Q904 S905 Q911 T912	Q904-S908 WeakPolarHBondContact O-CB 3.27Å; Q904-S908 PolarHBondContact O-N 3.29Å; Q904-S908 PolarHBondContact O-OG 2.88Å; S905-S908 WeakPolarHBondContact CA-OG 3.46Å; S905-S908 WeakPolarHBondContact O-CA 3.27Å; S905-S908 PolarHBondContact O-N 3.47Å; S905-S908 PolarHBondContact O-OG 2.94Å; S908-Q911 CarbonylContact O-C 3.43Å; S908-Q911 WeakPolarHBondContact O-CA 3.3Å; S908-Q911 WeakPolarHBondContact O-CB 3.4Å; S908-Q911 PolarHBondContact O-N 2.97Å; S908-T912 PolarHBondContact O-N 2.89Å; S908-T912 PolarHBondContact O-OG1 3.14Å
909	G	60.8	Low	57	Low	41 Å²	41	85.6 Å²	85.6	42%	0.423	42%	0.419	S	S	.	.	H	α-helix	trans	-61.7	-47	173.5	0	0	0	0	0	112	S905 M906 Q911 T912 L913	S905-G909 PolarHBondContact O-N 3.3Å; M906-G909 PolarHBondContact O-N 3.4Å; G909-Q911 PolarHBondContact O-N 2.64Å; G909-T912 PolarHBondContact O-N 3Å; G909-L913 PolarHBondContact O-N 3.26Å
910	L	59.8	Low	57	Low	57 Å²	57	85.8 Å²	85.8	30%	0.298	42%	0.42	S	S	.	.	H	α-helix	trans	-63.9	-26.4	172.3	-69.6	170.4	0	0	0	112.9	M906 R914 L1113	M906-L910 HydrophobicContact CG-CD1 4.32Å; M906-L910 WeakPolarHBondContact O-CB 3.31Å; M906-L910 WeakPolarHBondContact O-CG 3.32Å; M906-L910 PolarHBondContact O-N 3.11Å; L910-R914 WeakPolarHBondContact O-CB 3.48Å; L910-R914 VanDerWaalsContact O-CD 3.27Å; L910-R914 WeakPolarHBondContact O-CD 3.09Å; L910-R914 WeakPolarHBondContact O-CG 3.17Å; L910-R914 PolarHBondContact O-N 3.32Å; L910-L1113 HydrophobicContact CD2-CD2 4.09Å
911	Q	60	Low	56.8	Low	117 Å²	117	84 Å²	84	55%	0.547	42%	0.415	S	S	.	.	H	α-helix	trans	-78.2	-36.9	174.5	-175.5	169.9	-20.1	0	0	111.7	Q907 S908 G909 R914 Q915	Q907-Q911 WeakPolarHBondContact O-CB 3.34Å; Q907-Q911 PolarHBondContact O-N 2.9Å; S908-Q911 CarbonylContact O-C 3.43Å; S908-Q911 WeakPolarHBondContact O-CA 3.3Å; S908-Q911 WeakPolarHBondContact O-CB 3.4Å; S908-Q911 PolarHBondContact O-N 2.97Å; G909-Q911 PolarHBondContact O-N 2.64Å; Q911-R914 PolarHBondContact O-N 3.45Å; Q911-Q915 WeakPolarHBondContact O-CB 3.44Å; Q911-Q915 PolarHBondContact O-N 3.36Å
912	T	63.8	Low	56.5	Low	82 Å²	82	80.9 Å²	80.9	50%	0.503	41%	0.41	S	S	.	.	H	α-helix	trans	-63.5	-46.6	169.7	-60.3	0	0	0	0	110.6	S908 G909 R914 Q915 L916	S908-T912 PolarHBondContact O-N 2.89Å; S908-T912 PolarHBondContact O-OG1 3.14Å; G909-T912 PolarHBondContact O-N 3Å; T912-R914 VanDerWaalsContact C-N 3.33Å; T912-R914 PolarHBondContact O-N 2.85Å; T912-Q915 CarbonylContact O-C 3.51Å; T912-Q915 WeakPolarHBondContact O-CA 3.3Å; T912-Q915 WeakPolarHBondContact O-CB 3.37Å; T912-Q915 PolarHBondContact O-N 2.91Å; T912-L916 HydrophobicContact CG2-CD1 4.1Å; T912-L916 HydrophobicContact CG2-CG 4.43Å; T912-L916 WeakPolarHBondContact O-CG 3.41Å; T912-L916 PolarHBondContact O-N 3.5Å
913	L	53.7	Low	56.1	Low	60 Å²	60	81.8 Å²	81.8	31%	0.314	42%	0.421	S	S	.	.	H	α-helix	trans	-57.4	-45.1	173.7	-167.7	80.4	0	0	0	111.4	G909 Q915 L916 L917	G909-L913 PolarHBondContact O-N 3.26Å; L913-Q915 VanDerWaalsContact C-N 3.31Å; L913-Q915 PolarHBondContact O-N 3.36Å; L913-L916 PolarHBondContact O-N 2.89Å; L913-L917 HydrophobicContact CD2-CD1 4.49Å; L913-L917 HydrophobicContact CG-CD1 4.14Å; L913-L917 WeakPolarHBondContact O-CB 3.43Å; L913-L917 VanDerWaalsContact O-CG 3.3Å; L913-L917 WeakPolarHBondContact O-CG 3Å; L913-L917 PolarHBondContact O-N 3.41Å
914	R	59.2	Low	55.3	Low	104 Å²	104	79.6 Å²	79.6	39%	0.392	42%	0.419	S	S	.	.	H	α-helix	trans	-61.4	-38	173.4	-76.2	163.7	-177.2	134.1	0.4	112.4	L910 Q911 T912 K918 Y1110	L910-R914 WeakPolarHBondContact O-CB 3.48Å; L910-R914 VanDerWaalsContact O-CD 3.27Å; L910-R914 WeakPolarHBondContact O-CD 3.09Å; L910-R914 WeakPolarHBondContact O-CG 3.17Å; L910-R914 PolarHBondContact O-N 3.32Å; Q911-R914 PolarHBondContact O-N 3.45Å; T912-R914 VanDerWaalsContact C-N 3.33Å; T912-R914 PolarHBondContact O-N 2.85Å; R914-K918 WeakPolarHBondContact O-CB 3.39Å; R914-K918 PolarHBondContact O-N 2.74Å; R914-Y1110 WeakPolarHBondContact CA-OH 3.44Å; R914-Y1110 HydrophobicContact CG-CE1 3.83Å; R914-Y1110 WeakPolarHBondContact CG-OH 3.34Å
915	Q	60.1	Low	54.3	Low	114 Å²	114	81.4 Å²	81.4	53%	0.533	43%	0.432	S	S	.	.	H	α-helix	trans	-68.3	-45.8	178.5	-166.4	73.5	3.5	0	0	111.1	Q911 T912 L913 K918 L919	Q911-Q915 WeakPolarHBondContact O-CB 3.44Å; Q911-Q915 PolarHBondContact O-N 3.36Å; T912-Q915 CarbonylContact O-C 3.51Å; T912-Q915 WeakPolarHBondContact O-CA 3.3Å; T912-Q915 WeakPolarHBondContact O-CB 3.37Å; T912-Q915 PolarHBondContact O-N 2.91Å; L913-Q915 VanDerWaalsContact C-N 3.31Å; L913-Q915 PolarHBondContact O-N 3.36Å; Q915-K918 CarbonylContact O-C 3.51Å; Q915-K918 PolarHBondContact O-N 3.23Å; Q915-L919 HydrophobicContact CG-CD1 4.48Å; Q915-L919 WeakPolarHBondContact O-CG 3.32Å; Q915-L919 PolarHBondContact O-N 3.04Å
916	L	57	Low	53.4	Low	78 Å²	78	83.3 Å²	83.3	41%	0.408	44%	0.436	S	S	.	.	H	α-helix	trans	-61.6	-50.3	176.1	-70.1	168.9	0	0	0	111.5	T912 L913 K918 L919 H920	T912-L916 HydrophobicContact CG2-CD1 4.1Å; T912-L916 HydrophobicContact CG2-CG 4.43Å; T912-L916 WeakPolarHBondContact O-CG 3.41Å; T912-L916 PolarHBondContact O-N 3.5Å; L913-L916 PolarHBondContact O-N 2.89Å; L916-K918 PolarHBondContact O-N 3.26Å; L916-L919 WeakPolarHBondContact O-CB 3.37Å; L916-L919 PolarHBondContact O-N 3.13Å; L916-H920 PolarHBondContact O-CD2 3.17Å; L916-H920 VanDerWaalsContact O-CD2 3.26Å; L916-H920 PolarHBondContact O-N 2.85Å
917	L	57	Low	52.3	Low	22 Å²	22	80.9 Å²	80.9	12%	0.115	44%	0.442	C	S	.	.	H	α-helix	trans	-58.6	-35.9	174.9	-71.4	169.2	0	0	0	112	L913 S921 Y1110	L913-L917 HydrophobicContact CD2-CD1 4.49Å; L913-L917 HydrophobicContact CG-CD1 4.14Å; L913-L917 WeakPolarHBondContact O-CB 3.43Å; L913-L917 VanDerWaalsContact O-CG 3.3Å; L913-L917 WeakPolarHBondContact O-CG 3Å; L913-L917 PolarHBondContact O-N 3.41Å; L917-S921 PolarHBondContact O-N 3.19Å; L917-Y1110 HydrophobicContact CD1-CE1 4.15Å; L917-Y1110 HydrophobicContact CD1-CE2 4.47Å; L917-Y1110 WeakPolarHBondContact CD1-OH 3.22Å
918	K	58.6	Low	51	Low	73 Å²	73	78.9 Å²	78.9	32%	0.317	45%	0.451	S	S	.	.	H	α-helix	trans	-78.5	-19	176.3	-159.9	174.7	-161.6	73.2	0	113.6	E857 R914 Q915 L916 S921 N922	E857-K918 IonicContact OE1-NZ 3.52Å; E857-K918 IonicContact OE2-NZ 3.8Å; E857-K918 PolarHBondContact OE2-NZ 3.05Å; R914-K918 WeakPolarHBondContact O-CB 3.39Å; R914-K918 PolarHBondContact O-N 2.74Å; Q915-K918 CarbonylContact O-C 3.51Å; Q915-K918 PolarHBondContact O-N 3.23Å; L916-K918 PolarHBondContact O-N 3.26Å; K918-S921 PolarHBondContact O-OG 3.5Å; K918-N922 PolarHBondContact O-ND2 3Å
919	L	53.3	Low	49.8	Very low	63 Å²	63	80.9 Å²	80.9	33%	0.33	47%	0.465	S	S	.	.	H	α-helix	trans	-77.2	-45.9	168.5	-73.5	165.5	0	0	0	110	Q915 L916 S921 N922 L923	Q915-L919 HydrophobicContact CG-CD1 4.48Å; Q915-L919 WeakPolarHBondContact O-CG 3.32Å; Q915-L919 PolarHBondContact O-N 3.04Å; L916-L919 WeakPolarHBondContact O-CB 3.37Å; L916-L919 PolarHBondContact O-N 3.13Å; L919-S921 PolarHBondContact O-N 2.88Å; L919-N922 PolarHBondContact O-N 2.96Å; L919-L923 PolarHBondContact O-N 3.33Å
920	H	46.7	Very low	48.5	Very low	83 Å²	83	86.5 Å²	86.5	38%	0.384	49%	0.486	S	S	.	.	H	α-helix	trans	-62	-27.8	174.3	-73.5	-63	0	0	0	113.8	L916 N922 R1102	L916-H920 PolarHBondContact O-CD2 3.17Å; L916-H920 VanDerWaalsContact O-CD2 3.26Å; L916-H920 PolarHBondContact O-N 2.85Å; H920-N922 VanDerWaalsContact C-N 3.31Å; H920-R1102 PolarHBondContact O-NH2 3.48Å
921	S	47.2	Very low	47	Very low	34 Å²	34	95 Å²	95	24%	0.238	51%	0.514	C	S	.	.	H	α-helix	trans	-80.1	-6.7	172.1	78.8	0	0	0	0	114.4	L917 K918 L919	L917-S921 PolarHBondContact O-N 3.19Å; K918-S921 PolarHBondContact O-OG 3.5Å; L919-S921 PolarHBondContact O-N 2.88Å
922	N	43	Very low	45.5	Very low	86 Å²	86	97.9 Å²	97.9	46%	0.46	53%	0.532	S	S	.	.	H	α-helix	trans	-107.2	-22	-178.5	-87.3	-63.4	0	0	0	113.7	K918 L919 H920 D924 N925	K918-N922 PolarHBondContact O-ND2 3Å; L919-N922 PolarHBondContact O-N 2.96Å; H920-N922 VanDerWaalsContact C-N 3.31Å; N922-D924 PolarHBondContact O-N 3.42Å; N922-N925 PolarHBondContact O-N 3.39Å
923	L	44.4	Very low	43.9	Very low	106 Å²	106	98.9 Å²	98.9	56%	0.555	55%	0.549	S	S	*	.	H	α-helix	trans	-58.1	-37.1	173	-105.4	64	0	0	0	112.5	L919 N925 L926	L919-L923 PolarHBondContact O-N 3.33Å; L923-N925 PolarHBondContact O-N 2.99Å; L923-L926 PolarHBondContact O-N 3.41Å; L923-L926 VanDerWaalsContact O-N 3.09Å
924	D	43.4	Very low	42.6	Very low	93 Å²	93	100.9 Å²	100.9	50%	0.497	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.9	-14.5	-177.2	-58.7	-30.2	0	0	0	112.8	N922 R1102	N922-D924 PolarHBondContact O-N 3.42Å; D924-R1102 IonicContact OD1-NH2 2.66Å; D924-R1102 PolarHBondContact OD1-NH2 2.67Å; D924-R1102 IonicContact OD2-CZ 2.71Å; D924-R1102 IonicContact OD2-NE 2.72Å; D924-R1102 PolarHBondContact OD2-NE 3.47Å; D924-R1102 IonicContact OD2-NH2 3.67Å; D924-R1102 PolarHBondContact OD2-NH2 3.15Å
925	N	38.7	Very low	41.2	Very low	122 Å²	122	106.9 Å²	106.9	65%	0.652	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-5.9	176.3	-76.6	-63.5	0	0	0	115.4	N922 L923	N922-N925 PolarHBondContact O-N 3.39Å; L923-N925 PolarHBondContact O-N 2.99Å
926	L	42	Very low	39.8	Very low	117 Å²	117	112 Å²	112	61%	0.613	61%	0.611	S	S	*	*	S	Bend	trans	-88.9	-17.9	174.2	-92.2	75.4	0	0	0	113.7	L923 G928	L923-L926 PolarHBondContact O-N 3.41Å; L923-L926 VanDerWaalsContact O-N 3.09Å; L926-G928 PolarHBondContact O-N 2.85Å
927	G	32	Very low	38.4	Very low	73 Å²	73	116 Å²	116	75%	0.753	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-8.7	-176.6	0	0	0	0	0	116.1
928	G	32	Very low	37.1	Very low	70 Å²	70	121.8 Å²	121.8	72%	0.722	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-7.9	-171.5	0	0	0	0	0	117.3	L926	L926-G928 PolarHBondContact O-N 2.85Å
929	S	34	Very low	35.7	Very low	103 Å²	103	122.9 Å²	122.9	72%	0.72	67%	0.674	S	S	*	*	S	Bend	trans	-102.5	-14.1	-165.5	-61.6	0	0	0	0	116.6	R931	S929-R931 VanDerWaalsContact C-N 3.31Å; S929-R931 PolarHBondContact O-N 2.86Å; S929-R931 VanDerWaalsContact O-N 3.1Å
930	N	32.3	Very low	34.5	Very low	159 Å²	159	127.9 Å²	127.9	85%	0.85	70%	0.701	S	S	*	*			trans	-89.7	39.5	-169.5	-68.6	1.1	0	0	0	114.4
931	R	29.1	Very low	33.6	Very low	237 Å²	237	130.9 Å²	130.9	89%	0.894	72%	0.719	S	S	*	*			trans	-105.7	36.6	-178	-98	-166.5	175.9	-143.3	0.1	115.2	S929	S929-R931 VanDerWaalsContact C-N 3.31Å; S929-R931 PolarHBondContact O-N 2.86Å; S929-R931 VanDerWaalsContact O-N 3.1Å
932	L	28.1	Very low	32.8	Very low	177 Å²	177	138.1 Å²	138.1	93%	0.927	75%	0.749	S	S	*	*			trans	-140.2	63.4	173.9	-75.3	180	0	0	0	113.8
933	A	29.3	Very low	32.1	Very low	103 Å²	103	142.4 Å²	142.4	85%	0.851	77%	0.769	S	S	*	*			trans	-151.9	43.1	170.7	0	0	0	0	0	113.7
934	A	27	Very low	31.3	Very low	101 Å²	101	142.7 Å²	142.7	84%	0.835	78%	0.777	S	S	*	*			trans	-130.4	70.5	-176.6	0	0	0	0	0	113.6
935	R	30.1	Very low	30.4	Very low	231 Å²	231	142.5 Å²	142.5	87%	0.872	79%	0.789	S	S	*	*			trans	-118	126.4	156.4	-91.3	-174.4	167.6	-155	-1.3	105.7
936	R	29.8	Very low	29.9	Very low	222 Å²	222	144.6 Å²	144.6	84%	0.838	80%	0.798	S	S	*	*				50.4	119.6	78	-59.4	-176.5	-175.9	155.4	1.3	110.7
937	H	29.3	Very low	29	Very low	161 Å²	161	144.2 Å²	144.2	75%	0.745	81%	0.805	S	S	*	*			cis	-164.6	165.4	12.8	-140.9	-122.4	0	0	0	109.6
938	L	28.3	Very low	28.7	Very low	144 Å²	144	146.6 Å²	146.6	75%	0.754	81%	0.805	S	S	*	*			trans	65.1	129.5	154.9	-79.6	157.7	0	0	0	121.8
939	S	29.2	Very low	28.4	Very low	95 Å²	95	148.7 Å²	148.7	66%	0.664	80%	0.803	S	S	*	*			trans	45.1	113.7	142.4	60.3	0	0	0	0	121.4	L941	S939-L941 PolarHBondContact O-N 3.26Å
940	N	27.7	Very low	28	Very low	169 Å²	169	153.6 Å²	153.6	90%	0.904	81%	0.808	S	S	*	*			trans	-71.3	106.2	147.3	-69.7	-22.7	0	0	0	109.5
941	L	29.2	Very low	27.6	Very low	146 Å²	146	151.1 Å²	151.1	76%	0.764	80%	0.803	S	S	*	*			trans	-160.9	115.6	158.6	-114.9	151.7	0	0	0	110.3	S939	S939-L941 PolarHBondContact O-N 3.26Å
942	E	28.8	Very low	27.5	Very low	186 Å²	186	149.9 Å²	149.9	87%	0.869	80%	0.804	S	S	*	*			trans	62.2	157.6	172.7	-72.4	178.9	105	0	0	120.4
943	M	28.6	Very low	27.6	Very low	176 Å²	176	144.8 Å²	144.8	87%	0.867	80%	0.795	S	S	*	*			trans	-117.7	-179.8	-170.1	-74.3	-102.9	-75.4	0	0	108.9
944	P	29	Very low	27.6	Very low	111 Å²	111	146.9 Å²	146.9	72%	0.721	79%	0.792	S	S	*	*			cis	-128	-171.9	-4.9	21.9	3.7	0	0	0	114.2
945	A	24.5	Very low	28	Very low	90 Å²	90	148.2 Å²	148.2	74%	0.744	79%	0.789	S	S	*	*			trans	1.7	146.5	156.4	0	0	0	0	0	120.2
946	I	27.7	Very low	27.9	Very low	166 Å²	166	143.9 Å²	143.9	85%	0.851	78%	0.783	S	S	*	*				-158.3	157.6	67	-79.1	158.8	0	0	0	111.7
947	S	23.5	Very low	27.9	Very low	108 Å²	108	141.1 Å²	141.1	76%	0.755	78%	0.782	S	S	*	*			trans	-89.7	-162	-178.2	-50.6	0	0	0	0	115
948	V	25	Very low	27.9	Very low	124 Å²	124	139 Å²	139	75%	0.752	78%	0.783	S	S	*	*			trans	86.1	104.7	172.4	-170.8	0	0	0	0	112.4
949	T	25.6	Very low	27.9	Very low	113 Å²	113	137.9 Å²	137.9	69%	0.693	79%	0.787	S	S	*	*				56.6	146.5	78	67.7	0	0	0	0	113.8
950	Y	25.4	Very low	27.9	Very low	207 Å²	207	142.5 Å²	142.5	81%	0.812	80%	0.798	S	S	*	*			cis	-162.5	173.9	39.9	-127.4	-77	0	0	0	112.7
951	S	25.5	Very low	28	Very low	106 Å²	106	143.5 Å²	143.5	74%	0.741	80%	0.8	S	S	*	*			trans	81.9	140.1	146.8	-68	0	0	0	0	122.6
952	F	26.3	Very low	27.9	Very low	211 Å²	211	144.5 Å²	144.5	93%	0.925	81%	0.805	S	S	*	*			trans	-76	161.5	166.4	-81.5	-127.3	0	0	0	111.7
953	G	30.9	Very low	28	Very low	71 Å²	71	141.9 Å²	141.9	73%	0.732	81%	0.807	S	S	*	*			trans	-155.6	132.8	158	0	0	0	0	0	109.2
954	D	28.9	Very low	28	Very low	147 Å²	147	140.6 Å²	140.6	79%	0.786	81%	0.809	S	S	*	*			trans	-78.6	149.8	-168.6	-50.9	-86.8	0	0	0	113.9
955	T	34.2	Very low	28	Very low	128 Å²	128	138.8 Å²	138.8	79%	0.785	81%	0.81	S	S	*	*				-174.9	111.5	122.3	18.3	0	0	0	0	113.2
956	D	28.9	Very low	28.2	Very low	140 Å²	140	143 Å²	143	75%	0.749	82%	0.819	S	S	*	*			trans	55.6	138.1	133.4	-75.4	-38.4	0	0	0	125.3
957	M	29.3	Very low	28.3	Very low	165 Å²	165	146.6 Å²	146.6	81%	0.813	82%	0.822	S	S	*	*			trans	72.3	142.9	160.3	-59.6	-60.4	162.3	0	0	120.1
958	P	29.7	Very low	28.9	Very low	116 Å²	116	146.8 Å²	146.8	75%	0.753	82%	0.82	S	S	*	*			cis	-132	167	-45.1	34.5	-18.7	0	0	0	113.1
959	S	28.1	Very low	29.1	Very low	120 Å²	120	145.7 Å²	145.7	84%	0.839	82%	0.819	S	S	*	*			trans	-85.4	124.4	177	-62.4	0	0	0	0	112.5
960	E	28.9	Very low	29.3	Very low	193 Å²	193	148.1 Å²	148.1	90%	0.902	83%	0.827	S	S	*	*			trans	-166.6	106.3	146.1	-119.5	175.7	-138.9	0	0	113.5
961	M	30.6	Very low	29.5	Very low	190 Å²	190	141.7 Å²	141.7	94%	0.936	82%	0.824	S	S	*	*			trans	-165.9	58.2	148.6	-90.8	-138.3	88.4	0	0	110.1
962	L	27.7	Very low	29.8	Very low	167 Å²	167	144.2 Å²	144.2	87%	0.874	83%	0.828	S	S	*	*			trans	-132.1	103.3	160.4	-82.3	179.9	0	0	0	109
963	S	30.3	Very low	30	Very low	130 Å²	130	141.4 Å²	141.4	91%	0.909	82%	0.823	S	S	*	*			trans	-158.2	137	154.8	-90.5	0	0	0	0	112.5
964	V	27.6	Very low	30.2	Very low	150 Å²	150	146.6 Å²	146.6	91%	0.909	83%	0.826	S	S	*	*			trans	-83.8	135.4	170.6	173.8	0	0	0	0	108.1
965	G	28.6	Very low	30.5	Very low	72 Å²	72	145.3 Å²	145.3	74%	0.742	82%	0.823	S	S	*	*			trans	-152.1	95.1	-177.5	0	0	0	0	0	114.7
966	L	30.4	Very low	30.8	Very low	179 Å²	179	144.6 Å²	144.6	94%	0.937	82%	0.823	S	S	*	*			trans	-88.7	99.4	163.7	-80	171.8	0	0	0	110.2
967	R	29.7	Very low	31.2	Very low	241 Å²	241	145.6 Å²	145.6	91%	0.909	83%	0.829	S	S	*	*			trans	-163.4	143.7	151.6	-122.7	-174	160.7	146.4	-1.3	112.3
968	P	34.9	Very low	31.8	Very low	112 Å²	112	146.9 Å²	146.9	73%	0.727	83%	0.833	S	S	*	*			trans	-100.1	150.9	179.3	37.2	-32.2	0	0	0	112.9
969	S	30.8	Very low	32.2	Very low	102 Å²	102	150 Å²	150	71%	0.713	84%	0.837	S	S	*	*			trans	-175.3	128.3	144.6	-81.3	0	0	0	0	111.4
970	N	28	Very low	32.7	Very low	163 Å²	163	152.7 Å²	152.7	87%	0.872	84%	0.839	S	S	*	*			trans	54.6	150.8	142	-50.2	-17.3	0	0	0	121.5
971	G	30.1	Very low	33.3	Very low	72 Å²	72	151.8 Å²	151.8	74%	0.742	84%	0.838	S	S	*	*			trans	105.1	83.1	158.1	0	0	0	0	0	115.6
972	L	32.9	Very low	33.6	Very low	159 Å²	159	147.9 Å²	147.9	83%	0.832	83%	0.829	S	S	*	*			trans	-90.5	98.6	155	-79.5	170.2	0	0	0	108	F974	L972-F974 HydrophobicContact CD2-CE2 4.2Å
973	D	30.1	Very low	34	Very low	152 Å²	152	145.6 Å²	145.6	81%	0.813	83%	0.828	S	S	*	*			trans	-113.8	113.6	162.7	-90.7	-49.2	0	0	0	108.7
974	F	33.8	Very low	34.2	Very low	181 Å²	181	142.8 Å²	142.8	79%	0.794	82%	0.819	S	S	*	*			trans	-105.7	99.3	170.3	-91.1	-85.1	0	0	0	108.5	L972	L972-F974 HydrophobicContact CD2-CE2 4.2Å
975	T	36.1	Very low	34.9	Very low	119 Å²	119	141.7 Å²	141.7	73%	0.73	81%	0.813	S	S	*	*			trans	-116.6	100.9	165.2	53.9	0	0	0	0	108.7
976	S	39.3	Very low	35.4	Very low	113 Å²	113	146.3 Å²	146.3	79%	0.79	82%	0.815	S	S	*	*			trans	-86.2	119.3	164.6	-60.4	0	0	0	0	108.2	E978	S976-E978 PolarHBondContact O-N 3.27Å
977	D	38.4	Very low	35.9	Very low	162 Å²	162	144.4 Å²	144.4	87%	0.866	81%	0.811	S	S	*	*			trans	-69.5	117.9	170.8	-70.6	-58.9	0	0	0	109.9
978	E	40.9	Very low	35.9	Very low	192 Å²	192	136.8 Å²	136.8	90%	0.897	81%	0.808	S	S	*	*			trans	-121.5	108.9	161.5	-162.8	165.3	-167	0	0	107.3	S976	S976-E978 PolarHBondContact O-N 3.27Å
979	Q	38.9	Very low	36.2	Very low	181 Å²	181	134.8 Å²	134.8	85%	0.846	81%	0.807	S	S	*	*			trans	-124	155.9	-174.4	-167	179.1	72.5	0	0	109.3
980	M	39.5	Very low	36.6	Very low	176 Å²	176	137.2 Å²	137.2	87%	0.867	82%	0.818	S	S	*	*			trans	77.9	144.3	-156.8	-50.7	-169.3	175.3	0	0	111
981	I	41.6	Very low	37.4	Very low	174 Å²	174	133.7 Å²	133.7	89%	0.892	81%	0.812	S	S	*	*			cis	-120	154.9	22.4	-54.6	166.1	0	0	0	111.8
982	S	35.6	Very low	38.6	Very low	108 Å²	108	141.5 Å²	141.5	76%	0.755	82%	0.818	S	S	*	*			trans	-80.9	140.2	-176.2	178.9	0	0	0	0	114.5
983	S	36.4	Very low	39.9	Very low	120 Å²	120	137.4 Å²	137.4	84%	0.839	81%	0.808	S	S	*	*				163	163.8	125.6	51.8	0	0	0	0	111.4
984	G	35.3	Very low	41.6	Very low	71 Å²	71	133.7 Å²	133.7	73%	0.732	79%	0.794	S	S	*	*			trans	110.4	59.8	170.8	0	0	0	0	0	116.9
985	T	40.9	Very low	44	Very low	127 Å²	127	133.7 Å²	133.7	78%	0.779	79%	0.793	S	S	*	*			trans	15.5	142.5	142.8	-12.1	0	0	0	0	122.2
986	E	40.5	Very low	46.3	Very low	168 Å²	168	130 Å²	130	79%	0.785	78%	0.775	S	S	*	*			trans	96	108.1	151.7	-57	-170.6	-140.2	0	0	121.9
987	V	39.7	Very low	48.5	Very low	139 Å²	139	126.6 Å²	126.6	84%	0.842	75%	0.754	S	S	*	*			trans	52.8	103.6	131.8	-168.8	0	0	0	0	119.6
988	G	31.3	Very low	50.8	Low	82 Å²	82	122.8 Å²	122.8	85%	0.845	74%	0.737	S	S	*	*				79.5	84.2	124.9	0	0	0	0	0	118.4
989	G	39.8	Very low	53.1	Low	69 Å²	69	119.5 Å²	119.5	71%	0.711	72%	0.724	S	S	*	*			trans	-163.5	108.4	165.2	0	0	0	0	0	114.1	A991	G989-A991 PolarHBondContact O-N 3.19Å
990	T	39.1	Very low	55.6	Low	153 Å²	153	119.3 Å²	119.3	94%	0.939	72%	0.716	S	S	*	*			trans	-76.2	50.1	164.8	45.1	0	0	0	0	111	R992	T990-R992 VanDerWaalsContact C-N 3.31Å; T990-R992 PolarHBondContact O-N 2.94Å
991	A	45.6	Very low	57.8	Low	90 Å²	90	114.9 Å²	114.9	74%	0.744	70%	0.702	S	S	*	*			trans	-68.7	87.3	179.7	0	0	0	0	0	109.6	G989 A993	G989-A991 PolarHBondContact O-N 3.19Å; A991-A993 PolarHBondContact O-N 3.22Å
992	R	54.5	Low	60.2	Low	235 Å²	235	108.6 Å²	108.6	89%	0.887	68%	0.676	S	S	*	*			trans	-41.1	115	163.5	-70	173.3	172.5	150.5	-3.4	107.6	T990 S994	T990-R992 VanDerWaalsContact C-N 3.31Å; T990-R992 PolarHBondContact O-N 2.94Å; R992-S994 PolarHBondContact O-N 2.94Å
993	A	61.7	Low	63	Low	74 Å²	74	106.2 Å²	106.2	61%	0.612	66%	0.663	S	S	*	*			trans	-50.1	113.2	173	0	0	0	0	0	107.1	A991 K995	A991-A993 PolarHBondContact O-N 3.22Å; A993-K995 PolarHBondContact O-N 3.05Å
994	S	64.2	Low	65.7	Low	73 Å²	73	105.1 Å²	105.1	51%	0.51	65%	0.645	S	S	.	*			trans	-56.7	144.7	-168.5	175.8	0	0	0	0	108.8	R992 A996 A997 T998	R992-S994 PolarHBondContact O-N 2.94Å; S994-A996 CarbonylContact O-C 3.54Å; S994-A996 PolarHBondContact O-N 3.29Å; S994-A997 WeakPolarHBondContact O-CA 3.45Å; S994-A997 WeakPolarHBondContact O-CB 3.39Å; S994-A997 PolarHBondContact O-N 3.35Å; S994-T998 PolarHBondContact O-N 3.09Å; S994-T998 VanDerWaalsContact O-N 3.08Å
995	K	83.8	Confident	68.4	Low	181 Å²	181	106.5 Å²	106.5	79%	0.787	64%	0.635	S	S	*	*	H	α-helix	trans	-51.8	-33.1	178.9	-66.9	-174.5	177.5	-176.3	0	111.3	A993 L999	A993-K995 PolarHBondContact O-N 3.05Å; K995-L999 VanDerWaalsContact O-CB 3.27Å; K995-L999 WeakPolarHBondContact O-CB 3.34Å; K995-L999 WeakPolarHBondContact O-CD1 3.36Å; K995-L999 WeakPolarHBondContact O-CG 3.48Å; K995-L999 PolarHBondContact O-N 2.93Å
996	A	85.1	Confident	70.9	Confident	41 Å²	41	104.6 Å²	104.6	34%	0.339	62%	0.619	S	S	.	*	H	α-helix	trans	-67.1	-33.5	172.6	0	0	0	0	0	114.7	S994 R1000	S994-A996 CarbonylContact O-C 3.54Å; S994-A996 PolarHBondContact O-N 3.29Å; A996-R1000 WeakPolarHBondContact O-CB 3.32Å; A996-R1000 WeakPolarHBondContact O-CG 3.44Å; A996-R1000 PolarHBondContact O-N 2.86Å
997	A	85.4	Confident	73.5	Confident	43 Å²	43	102.6 Å²	102.6	36%	0.355	60%	0.604	S	S	.	*	H	α-helix	trans	-71.7	-46.1	174.8	0	0	0	0	0	111.5	S994 L999 R1000 S1001	S994-A997 WeakPolarHBondContact O-CA 3.45Å; S994-A997 WeakPolarHBondContact O-CB 3.39Å; S994-A997 PolarHBondContact O-N 3.35Å; A997-L999 VanDerWaalsContact C-N 3.33Å; A997-L999 PolarHBondContact O-N 3.25Å; A997-R1000 PolarHBondContact O-N 3.41Å; A997-S1001 PolarHBondContact O-N 3.16Å
998	T	86.4	Confident	76.1	Confident	82 Å²	82	102.7 Å²	102.7	50%	0.503	59%	0.593	S	S	.	*	H	α-helix	trans	-61.4	-41.9	174.6	-47.9	0	0	0	0	111.5	S994 S1001 A1002	S994-T998 PolarHBondContact O-N 3.09Å; S994-T998 VanDerWaalsContact O-N 3.08Å; T998-S1001 PolarHBondContact O-N 2.76Å; T998-A1002 WeakPolarHBondContact O-CB 3.41Å; T998-A1002 PolarHBondContact O-N 3.28Å
999	L	90.4	Very high	79.1	Confident	122 Å²	122	103.4 Å²	103.4	64%	0.639	58%	0.577	S	S	*	*	H	α-helix	trans	-66.7	-34.5	175.8	-73.7	169.2	0	0	0	113.2	K995 A997 A1003	K995-L999 VanDerWaalsContact O-CB 3.27Å; K995-L999 WeakPolarHBondContact O-CB 3.34Å; K995-L999 WeakPolarHBondContact O-CD1 3.36Å; K995-L999 WeakPolarHBondContact O-CG 3.48Å; K995-L999 PolarHBondContact O-N 2.93Å; A997-L999 VanDerWaalsContact C-N 3.33Å; A997-L999 PolarHBondContact O-N 3.25Å; L999-A1003 VanDerWaalsContact O-CB 3.27Å; L999-A1003 WeakPolarHBondContact O-CB 3.3Å; L999-A1003 PolarHBondContact O-N 2.66Å
1000	R	90.2	Very high	81.7	Confident	177 Å²	177	107.7 Å²	107.7	67%	0.668	57%	0.572	S	S	*	*	H	α-helix	trans	-65.4	-44.8	171.6	-76.9	171.3	-166.3	128.4	-2.4	111.7	A996 A997 A1003 E1004	A996-R1000 WeakPolarHBondContact O-CB 3.32Å; A996-R1000 WeakPolarHBondContact O-CG 3.44Å; A996-R1000 PolarHBondContact O-N 2.86Å; A997-R1000 PolarHBondContact O-N 3.41Å; R1000-A1003 PolarHBondContact O-N 3.17Å; R1000-E1004 WeakPolarHBondContact O-CB 3.38Å; R1000-E1004 PolarHBondContact O-N 3.47Å
1001	S	87.1	Confident	84.3	Confident	84 Å²	84	103.7 Å²	103.7	59%	0.587	55%	0.545	S	S	*	.	H	α-helix	trans	-60.5	-45.3	175.6	-176.9	0	0	0	0	111.6	A997 T998 A1003 E1004 L1005	A997-S1001 PolarHBondContact O-N 3.16Å; T998-S1001 PolarHBondContact O-N 2.76Å; S1001-A1003 PolarHBondContact O-N 3.4Å; S1001-E1004 PolarHBondContact O-N 2.91Å; S1001-L1005 WeakPolarHBondContact O-CB 3.38Å; S1001-L1005 PolarHBondContact O-N 2.98Å
1002	A	91.1	Very high	86.5	Confident	42 Å²	42	104.2 Å²	104.2	35%	0.347	53%	0.532	S	S	.	.	H	α-helix	trans	-63.7	-39.9	175.2	0	0	0	0	0	112.9	T998 L1005 I1006	T998-A1002 WeakPolarHBondContact O-CB 3.41Å; T998-A1002 PolarHBondContact O-N 3.28Å; A1002-L1005 PolarHBondContact O-N 3.3Å; A1002-I1006 WeakPolarHBondContact O-CB 3.46Å; A1002-I1006 WeakPolarHBondContact O-CD1 3.35Å; A1002-I1006 VanDerWaalsContact O-CG1 3.22Å; A1002-I1006 WeakPolarHBondContact O-CG1 3.48Å; A1002-I1006 PolarHBondContact O-N 3.24Å
1003	A	94.3	Very high	88.4	Confident	57 Å²	57	99.7 Å²	99.7	47%	0.471	52%	0.515	S	S	.	.	H	α-helix	trans	-65	-39	175.6	0	0	0	0	0	112.2	L999 R1000 S1001 I1006 R1007	L999-A1003 VanDerWaalsContact O-CB 3.27Å; L999-A1003 WeakPolarHBondContact O-CB 3.3Å; L999-A1003 PolarHBondContact O-N 2.66Å; R1000-A1003 PolarHBondContact O-N 3.17Å; S1001-A1003 PolarHBondContact O-N 3.4Å; A1003-I1006 PolarHBondContact O-N 3.44Å; A1003-R1007 PolarHBondContact O-N 2.85Å
1004	E	92.6	Very high	89.9	Confident	98 Å²	98	99.6 Å²	99.6	46%	0.458	50%	0.504	S	S	.	.	H	α-helix	trans	-71.1	-36.8	176.9	-171.9	67.5	170.5	0	0	112	R1000 S1001 R1007 K1008	R1000-E1004 WeakPolarHBondContact O-CB 3.38Å; R1000-E1004 PolarHBondContact O-N 3.47Å; S1001-E1004 PolarHBondContact O-N 2.91Å; E1004-R1007 WeakPolarHBondContact O-CB 3.4Å; E1004-R1007 PolarHBondContact O-N 3.28Å; E1004-R1007 IonicContact OE1-CZ 3.55Å; E1004-R1007 IonicContact OE1-NE 2.79Å; E1004-R1007 IonicContact OE1-NH2 2.67Å; E1004-R1007 PolarHBondContact OE1-NH2 3.32Å; E1004-R1007 IonicContact OE2-CZ 3Å; E1004-R1007 IonicContact OE2-NE 3.5Å; E1004-R1007 PolarHBondContact OE2-NE 3.17Å; E1004-R1007 IonicContact OE2-NH2 3.93Å; E1004-R1007 PolarHBondContact OE2-NH2 3.44Å; E1004-K1008 PolarHBondContact O-N 3.45Å
1005	L	92.6	Very high	91.3	Very high	100 Å²	100	100.8 Å²	100.8	52%	0.524	51%	0.508	S	S	.	.	H	α-helix	trans	-63.2	-43.1	170.2	-178.7	62.9	0	0	0	111.6	S1001 A1002 R1007 K1008 L1009	S1001-L1005 WeakPolarHBondContact O-CB 3.38Å; S1001-L1005 PolarHBondContact O-N 2.98Å; A1002-L1005 PolarHBondContact O-N 3.3Å; L1005-R1007 VanDerWaalsContact C-N 3.27Å; L1005-R1007 PolarHBondContact O-N 2.93Å; L1005-K1008 PolarHBondContact O-N 3.11Å; L1005-L1009 HydrophobicContact CD1-CD1 4.26Å; L1005-L1009 HydrophobicContact CD1-CG 4.35Å; L1005-L1009 HydrophobicContact CG-CD1 4.06Å; L1005-L1009 WeakPolarHBondContact O-CB 3.25Å; L1005-L1009 WeakPolarHBondContact O-CG 3.42Å; L1005-L1009 PolarHBondContact O-N 2.85Å
1006	I	93.6	Very high	91.7	Very high	87 Å²	87	96.4 Å²	96.4	45%	0.446	49%	0.492	S	S	.	.	H	α-helix	trans	-62.7	-35.3	173.9	-71.3	163.9	0	0	0	111	A1002 A1003 R1010	A1002-I1006 WeakPolarHBondContact O-CB 3.46Å; A1002-I1006 WeakPolarHBondContact O-CD1 3.35Å; A1002-I1006 VanDerWaalsContact O-CG1 3.22Å; A1002-I1006 WeakPolarHBondContact O-CG1 3.48Å; A1002-I1006 PolarHBondContact O-N 3.24Å; A1003-I1006 PolarHBondContact O-N 3.44Å; I1006-R1010 WeakPolarHBondContact O-CB 3.48Å; I1006-R1010 WeakPolarHBondContact O-CD 3.46Å; I1006-R1010 WeakPolarHBondContact O-CG 3.38Å; I1006-R1010 PolarHBondContact O-N 3.02Å; I1006-R1010 VanDerWaalsContact O-N 3.1Å
1007	R	94.4	Very high	92.1	Very high	125 Å²	125	99 Å²	99	47%	0.472	50%	0.498	S	S	.	.	H	α-helix	trans	-65.6	-52.6	173.7	-166.7	178.1	69.9	82.4	-13.7	110.8	A1003 E1004 L1005 L1009 R1010 D1011	A1003-R1007 PolarHBondContact O-N 2.85Å; E1004-R1007 WeakPolarHBondContact O-CB 3.4Å; E1004-R1007 PolarHBondContact O-N 3.28Å; E1004-R1007 IonicContact OE1-CZ 3.55Å; E1004-R1007 IonicContact OE1-NE 2.79Å; E1004-R1007 IonicContact OE1-NH2 2.67Å; E1004-R1007 PolarHBondContact OE1-NH2 3.32Å; E1004-R1007 IonicContact OE2-CZ 3Å; E1004-R1007 IonicContact OE2-NE 3.5Å; E1004-R1007 PolarHBondContact OE2-NE 3.17Å; E1004-R1007 IonicContact OE2-NH2 3.93Å; E1004-R1007 PolarHBondContact OE2-NH2 3.44Å; L1005-R1007 VanDerWaalsContact C-N 3.27Å; L1005-R1007 PolarHBondContact O-N 2.93Å; R1007-L1009 VanDerWaalsContact C-N 3.34Å; R1007-L1009 PolarHBondContact O-N 3.13Å; R1007-R1010 WeakPolarHBondContact O-CB 3.44Å; R1007-R1010 PolarHBondContact O-N 2.94Å; R1007-D1011 IonicContact NH1-OD2 2.75Å; R1007-D1011 PolarHBondContact NH1-OD2 3.43Å; R1007-D1011 VanDerWaalsContact O-CG 3.25Å; R1007-D1011 PolarHBondContact O-N 3.32Å
1008	K	94	Very high	92.4	Very high	142 Å²	142	101.4 Å²	101.4	62%	0.617	51%	0.508	S	S	*	.	H	α-helix	trans	-53.9	-46.5	176.5	-175.4	179.4	177.1	-177.9	0	112.4	E1004 L1005 R1010 D1011 E1012	E1004-K1008 PolarHBondContact O-N 3.45Å; L1005-K1008 PolarHBondContact O-N 3.11Å; K1008-R1010 VanDerWaalsContact C-N 3.33Å; K1008-R1010 PolarHBondContact O-N 2.89Å; K1008-D1011 PolarHBondContact O-N 3.23Å; K1008-E1012 WeakPolarHBondContact O-CB 3.49Å; K1008-E1012 PolarHBondContact O-N 3.24Å
1009	L	94.5	Very high	92.7	Very high	96 Å²	96	102.7 Å²	102.7	50%	0.503	51%	0.508	S	S	.	.	H	α-helix	trans	-68.1	-28.6	178.8	-70.2	170.5	0	0	0	113.2	L1005 R1007 R1013	L1005-L1009 HydrophobicContact CD1-CD1 4.26Å; L1005-L1009 HydrophobicContact CD1-CG 4.35Å; L1005-L1009 HydrophobicContact CG-CD1 4.06Å; L1005-L1009 WeakPolarHBondContact O-CB 3.25Å; L1005-L1009 WeakPolarHBondContact O-CG 3.42Å; L1005-L1009 PolarHBondContact O-N 2.85Å; R1007-L1009 VanDerWaalsContact C-N 3.34Å; R1007-L1009 PolarHBondContact O-N 3.13Å; L1009-R1013 WeakPolarHBondContact O-CB 3.32Å; L1009-R1013 PolarHBondContact O-N 3.29Å
1010	R	94.6	Very high	92.6	Very high	159 Å²	159	100.1 Å²	100.1	60%	0.6	50%	0.5	S	S	*	.	H	α-helix	trans	-72.2	-45.1	170.8	-74.9	168.1	179.1	-166.5	0.2	111.2	I1006 R1007 K1008 E1012 R1013 N1014	I1006-R1010 WeakPolarHBondContact O-CB 3.48Å; I1006-R1010 WeakPolarHBondContact O-CD 3.46Å; I1006-R1010 WeakPolarHBondContact O-CG 3.38Å; I1006-R1010 PolarHBondContact O-N 3.02Å; I1006-R1010 VanDerWaalsContact O-N 3.1Å; R1007-R1010 WeakPolarHBondContact O-CB 3.44Å; R1007-R1010 PolarHBondContact O-N 2.94Å; K1008-R1010 VanDerWaalsContact C-N 3.33Å; K1008-R1010 PolarHBondContact O-N 2.89Å; R1010-E1012 VanDerWaalsContact C-N 3.32Å; R1010-E1012 PolarHBondContact O-N 3.23Å; R1010-R1013 PolarHBondContact O-N 3.04Å; R1010-N1014 WeakPolarHBondContact O-CB 3.33Å; R1010-N1014 PolarHBondContact O-N 3.21Å; R1010-N1014 PolarHBondContact O-ND2 3.23Å; R1010-N1014 PolarHBondContact O-OD1 3.31Å
1011	D	94.2	Very high	92.7	Very high	69 Å²	69	95.8 Å²	95.8	37%	0.369	49%	0.493	S	S	.	.	H	α-helix	trans	-61.8	-42.8	178.6	-63.1	-21.5	0	0	0	110.1	R1007 K1008 N1014 V1015	R1007-D1011 IonicContact NH1-OD2 2.75Å; R1007-D1011 PolarHBondContact NH1-OD2 3.43Å; R1007-D1011 VanDerWaalsContact O-CG 3.25Å; R1007-D1011 PolarHBondContact O-N 3.32Å; K1008-D1011 PolarHBondContact O-N 3.23Å; D1011-N1014 PolarHBondContact O-N 3.09Å; D1011-V1015 WeakPolarHBondContact O-CG2 3.21Å; D1011-V1015 PolarHBondContact O-N 3.44Å
1012	E	92.7	Very high	93	Very high	101 Å²	101	97.4 Å²	97.4	47%	0.472	50%	0.495	S	S	.	.	H	α-helix	trans	-61.9	-45.2	172.6	-172.7	176.3	167.5	0	0	112.7	K1008 R1010 N1014 V1015 L1016	K1008-E1012 WeakPolarHBondContact O-CB 3.49Å; K1008-E1012 PolarHBondContact O-N 3.24Å; R1010-E1012 VanDerWaalsContact C-N 3.32Å; R1010-E1012 PolarHBondContact O-N 3.23Å; E1012-N1014 VanDerWaalsContact C-N 3.31Å; E1012-N1014 PolarHBondContact O-N 3.35Å; E1012-V1015 PolarHBondContact O-N 2.84Å; E1012-L1016 HydrophobicContact CG-CD1 4.3Å; E1012-L1016 WeakPolarHBondContact O-CG 3.14Å; E1012-L1016 PolarHBondContact O-N 3.47Å
1013	R	92.8	Very high	93	Very high	141 Å²	141	99.4 Å²	99.4	53%	0.532	50%	0.5	S	S	.	.	H	α-helix	trans	-59.7	-42.2	173.9	-174.2	-89.7	-75.2	-165.1	-4.3	111.7	L1009 R1010 V1015 L1016 E1017	L1009-R1013 WeakPolarHBondContact O-CB 3.32Å; L1009-R1013 PolarHBondContact O-N 3.29Å; R1010-R1013 PolarHBondContact O-N 3.04Å; R1013-V1015 VanDerWaalsContact C-N 3.33Å; R1013-V1015 PolarHBondContact O-N 3.23Å; R1013-L1016 PolarHBondContact O-N 3.34Å; R1013-E1017 WeakPolarHBondContact CD-OE2 3.39Å; R1013-E1017 IonicContact CZ-OE2 3.55Å; R1013-E1017 IonicContact NE-OE2 3.65Å; R1013-E1017 IonicContact NH1-OE1 2.69Å; R1013-E1017 IonicContact NH1-OE2 3.47Å; R1013-E1017 PolarHBondContact NH1-OE2 3.42Å; R1013-E1017 VanDerWaalsContact O-CB 3.28Å; R1013-E1017 WeakPolarHBondContact O-CB 3.43Å; R1013-E1017 PolarHBondContact O-N 3.19Å
1014	N	94	Very high	92.9	Very high	72 Å²	72	104 Å²	104	39%	0.385	51%	0.509	S	S	.	.	H	α-helix	trans	-64.5	-38.3	-179.9	-63.8	-21.8	0	0	0	111.2	R1010 D1011 E1012 T1018	R1010-N1014 WeakPolarHBondContact O-CB 3.33Å; R1010-N1014 PolarHBondContact O-N 3.21Å; R1010-N1014 PolarHBondContact O-ND2 3.23Å; R1010-N1014 PolarHBondContact O-OD1 3.31Å; D1011-N1014 PolarHBondContact O-N 3.09Å; E1012-N1014 VanDerWaalsContact C-N 3.31Å; E1012-N1014 PolarHBondContact O-N 3.35Å; N1014-T1018 WeakPolarHBondContact O-CB 3.21Å; N1014-T1018 PolarHBondContact O-N 3.5Å; N1014-T1018 PolarHBondContact O-OG1 3.46Å
1015	V	93.3	Very high	92.9	Very high	97 Å²	97	101.2 Å²	101.2	59%	0.588	51%	0.506	S	S	*	.	H	α-helix	trans	-64.6	-48.9	173.4	171	0	0	0	0	111.2	D1011 E1012 R1013 E1017 T1018 Q1019	D1011-V1015 WeakPolarHBondContact O-CG2 3.21Å; D1011-V1015 PolarHBondContact O-N 3.44Å; E1012-V1015 PolarHBondContact O-N 2.84Å; R1013-V1015 VanDerWaalsContact C-N 3.33Å; R1013-V1015 PolarHBondContact O-N 3.23Å; V1015-E1017 VanDerWaalsContact C-N 3.33Å; V1015-E1017 PolarHBondContact O-N 3.29Å; V1015-T1018 WeakPolarHBondContact O-CB 3.45Å; V1015-T1018 PolarHBondContact O-N 2.75Å; V1015-Q1019 PolarHBondContact O-N 2.84Å
1016	L	93.1	Very high	92.9	Very high	89 Å²	89	101.4 Å²	101.4	47%	0.466	50%	0.504	S	S	.	.	H	α-helix	trans	-62.5	-38.3	178.5	-70.8	170.8	0	0	0	112.3	E1012 R1013 Q1019 C1020	E1012-L1016 HydrophobicContact CG-CD1 4.3Å; E1012-L1016 WeakPolarHBondContact O-CG 3.14Å; E1012-L1016 PolarHBondContact O-N 3.47Å; R1013-L1016 PolarHBondContact O-N 3.34Å; L1016-Q1019 PolarHBondContact O-N 3.35Å; L1016-C1020 WeakPolarHBondContact O-CB 3.44Å; L1016-C1020 PolarHBondContact O-N 3Å; L1016-C1020 PolarHBondContact O-SG 2.95Å; L1016-C1020 VanDerWaalsContact O-SG 3.32Å
1017	E	92.9	Very high	92.6	Very high	96 Å²	96	102 Å²	102	45%	0.449	51%	0.512	S	S	.	.	H	α-helix	trans	-68.4	-35.9	175.9	-172.6	167.3	-151.7	0	0	112.3	R1013 V1015 C1020 T1021	R1013-E1017 WeakPolarHBondContact CD-OE2 3.39Å; R1013-E1017 IonicContact CZ-OE2 3.55Å; R1013-E1017 IonicContact NE-OE2 3.65Å; R1013-E1017 IonicContact NH1-OE1 2.69Å; R1013-E1017 IonicContact NH1-OE2 3.47Å; R1013-E1017 PolarHBondContact NH1-OE2 3.42Å; R1013-E1017 VanDerWaalsContact O-CB 3.28Å; R1013-E1017 WeakPolarHBondContact O-CB 3.43Å; R1013-E1017 PolarHBondContact O-N 3.19Å; V1015-E1017 VanDerWaalsContact C-N 3.33Å; V1015-E1017 PolarHBondContact O-N 3.29Å; E1017-C1020 PolarHBondContact O-N 2.76Å; E1017-T1021 WeakPolarHBondContact O-CB 3.27Å; E1017-T1021 WeakPolarHBondContact O-CG2 3.48Å; E1017-T1021 PolarHBondContact O-N 2.84Å; E1017-T1021 PolarHBondContact O-OG1 2.88Å
1018	T	92.6	Very high	92.4	Very high	93 Å²	93	102.2 Å²	102.2	57%	0.571	52%	0.516	S	S	*	.	H	α-helix	trans	-64	-40.2	170.7	-55.8	0	0	0	0	111.1	N1014 V1015 T1021 N1022	N1014-T1018 WeakPolarHBondContact O-CB 3.21Å; N1014-T1018 PolarHBondContact O-N 3.5Å; N1014-T1018 PolarHBondContact O-OG1 3.46Å; V1015-T1018 WeakPolarHBondContact O-CB 3.45Å; V1015-T1018 PolarHBondContact O-N 2.75Å; T1018-T1021 WeakPolarHBondContact CA-OG1 3.37Å; T1018-T1021 PolarHBondContact O-OG1 3.12Å; T1018-N1022 WeakPolarHBondContact O-CB 3.4Å; T1018-N1022 PolarHBondContact O-N 3.33Å; T1018-N1022 VanDerWaalsContact O-N 3.09Å
1019	Q	91.3	Very high	92.2	Very high	109 Å²	109	98.4 Å²	98.4	51%	0.509	51%	0.511	S	S	.	.	H	α-helix	trans	-67.3	-44.4	175	-168.7	178.3	7.9	0	0	111.9	V1015 L1016 T1021 N1022 L1023	V1015-Q1019 PolarHBondContact O-N 2.84Å; L1016-Q1019 PolarHBondContact O-N 3.35Å; Q1019-T1021 VanDerWaalsContact C-N 3.35Å; Q1019-T1021 PolarHBondContact O-N 3.31Å; Q1019-N1022 PolarHBondContact O-N 2.88Å; Q1019-L1023 HydrophobicContact CG-CD1 4.15Å; Q1019-L1023 WeakPolarHBondContact O-CG 3.49Å; Q1019-L1023 PolarHBondContact O-N 3Å
1020	C	88.9	Confident	92	Very high	68 Å²	68	98.4 Å²	98.4	46%	0.459	51%	0.511	S	S	.	.	H	α-helix	trans	-65.1	-34	177.5	-73.1	0	0	0	0	113.3	L1016 E1017 K1024	L1016-C1020 WeakPolarHBondContact O-CB 3.44Å; L1016-C1020 PolarHBondContact O-N 3Å; L1016-C1020 PolarHBondContact O-SG 2.95Å; L1016-C1020 VanDerWaalsContact O-SG 3.32Å; E1017-C1020 PolarHBondContact O-N 2.76Å; C1020-K1024 WeakPolarHBondContact O-CB 3.29Å; C1020-K1024 VanDerWaalsContact O-CG 3.26Å; C1020-K1024 WeakPolarHBondContact O-CG 3.42Å; C1020-K1024 PolarHBondContact O-N 2.91Å; C1020-K1024 VanDerWaalsContact O-N 3.16Å
1021	T	91.8	Very high	91.8	Very high	86 Å²	86	93.5 Å²	93.5	53%	0.528	49%	0.494	S	S	.	.	H	α-helix	trans	-72.4	-39.5	174.9	45.2	0	0	0	0	111.7	E1017 T1018 Q1019 K1024 G1025	E1017-T1021 WeakPolarHBondContact O-CB 3.27Å; E1017-T1021 WeakPolarHBondContact O-CG2 3.48Å; E1017-T1021 PolarHBondContact O-N 2.84Å; E1017-T1021 PolarHBondContact O-OG1 2.88Å; T1018-T1021 WeakPolarHBondContact CA-OG1 3.37Å; T1018-T1021 PolarHBondContact O-OG1 3.12Å; Q1019-T1021 VanDerWaalsContact C-N 3.35Å; Q1019-T1021 PolarHBondContact O-N 3.31Å; T1021-K1024 PolarHBondContact O-N 3.32Å; T1021-G1025 PolarHBondContact O-N 3.19Å; T1021-G1025 VanDerWaalsContact O-N 3.11Å
1022	N	93.2	Very high	91.5	Very high	118 Å²	118	93.6 Å²	93.6	63%	0.631	50%	0.5	S	S	*	.	H	α-helix	trans	-61.1	-50.7	173.6	-167.5	13.5	0	0	0	112	T1018 Q1019 K1024 G1025 E1026	T1018-N1022 WeakPolarHBondContact O-CB 3.4Å; T1018-N1022 PolarHBondContact O-N 3.33Å; T1018-N1022 VanDerWaalsContact O-N 3.09Å; Q1019-N1022 PolarHBondContact O-N 2.88Å; N1022-K1024 VanDerWaalsContact C-N 3.31Å; N1022-K1024 PolarHBondContact O-N 3.43Å; N1022-G1025 WeakPolarHBondContact O-CA 3.47Å; N1022-G1025 PolarHBondContact O-N 3.25Å; N1022-E1026 PolarHBondContact O-N 3.47Å
1023	L	92.3	Very high	91.2	Very high	85 Å²	85	90.7 Å²	90.7	45%	0.445	49%	0.494	S	S	.	.	H	α-helix	trans	-60.6	-35.9	177.9	-71.5	169.3	0	0	0	113	Q1019 G1025 E1026 V1027	Q1019-L1023 HydrophobicContact CG-CD1 4.15Å; Q1019-L1023 WeakPolarHBondContact O-CG 3.49Å; Q1019-L1023 PolarHBondContact O-N 3Å; L1023-G1025 VanDerWaalsContact C-N 3.3Å; L1023-G1025 PolarHBondContact O-N 2.94Å; L1023-E1026 PolarHBondContact O-N 3.42Å; L1023-V1027 WeakPolarHBondContact O-CG2 3.29Å; L1023-V1027 PolarHBondContact O-N 3.03Å
1024	K	92.1	Very high	90.7	Very high	154 Å²	154	88.9 Å²	88.9	67%	0.67	49%	0.493	S	S	*	.	H	α-helix	trans	-65.1	-33.5	171.9	-77.4	173.1	179.9	179.2	0	112.4	C1020 T1021 N1022 K1028	C1020-K1024 WeakPolarHBondContact O-CB 3.29Å; C1020-K1024 VanDerWaalsContact O-CG 3.26Å; C1020-K1024 WeakPolarHBondContact O-CG 3.42Å; C1020-K1024 PolarHBondContact O-N 2.91Å; C1020-K1024 VanDerWaalsContact O-N 3.16Å; T1021-K1024 PolarHBondContact O-N 3.32Å; N1022-K1024 VanDerWaalsContact C-N 3.31Å; N1022-K1024 PolarHBondContact O-N 3.43Å; K1024-K1028 WeakPolarHBondContact O-CB 3.39Å; K1024-K1028 PolarHBondContact O-N 3.39Å; K1024-K1028 VanDerWaalsContact O-N 3.13Å
1025	G	92.5	Very high	90.2	Very high	38 Å²	38	89.1 Å²	89.1	39%	0.392	50%	0.495	S	S	.	.	H	α-helix	trans	-64.2	-47.7	171.4	0	0	0	0	0	112.3	T1021 N1022 L1023 K1028 A1029	T1021-G1025 PolarHBondContact O-N 3.19Å; T1021-G1025 VanDerWaalsContact O-N 3.11Å; N1022-G1025 WeakPolarHBondContact O-CA 3.47Å; N1022-G1025 PolarHBondContact O-N 3.25Å; L1023-G1025 VanDerWaalsContact C-N 3.3Å; L1023-G1025 PolarHBondContact O-N 2.94Å; G1025-K1028 WeakPolarHBondContact O-CB 3.33Å; G1025-K1028 PolarHBondContact O-N 2.93Å; G1025-A1029 PolarHBondContact O-N 3.09Å
1026	E	91.5	Very high	89.8	Confident	104 Å²	104	88.6 Å²	88.6	49%	0.486	49%	0.488	S	S	.	.	H	α-helix	trans	-60.7	-47.1	177	-171.9	179.4	-176.2	0	0	112	N1022 L1023 K1028 A1029 L1030	N1022-E1026 PolarHBondContact O-N 3.47Å; L1023-E1026 PolarHBondContact O-N 3.42Å; E1026-K1028 VanDerWaalsContact C-N 3.27Å; E1026-K1028 PolarHBondContact O-N 2.96Å; E1026-A1029 PolarHBondContact O-N 2.94Å; E1026-A1029 VanDerWaalsContact O-N 3.11Å; E1026-L1030 HydrophobicContact CG-CD1 4.05Å; E1026-L1030 HydrophobicContact CG-CG 4.43Å; E1026-L1030 WeakPolarHBondContact O-CB 3.5Å; E1026-L1030 WeakPolarHBondContact O-CG 3.49Å; E1026-L1030 PolarHBondContact O-N 2.83Å
1027	V	88.5	Confident	89.2	Confident	99 Å²	99	90.9 Å²	90.9	60%	0.6	49%	0.494	S	S	*	.	H	α-helix	trans	-58.5	-38.3	175	169.7	0	0	0	0	111.7	L1023 K1031	L1023-V1027 WeakPolarHBondContact O-CG2 3.29Å; L1023-V1027 PolarHBondContact O-N 3.03Å; V1027-K1031 VanDerWaalsContact O-CB 3.29Å; V1027-K1031 WeakPolarHBondContact O-CB 3.11Å; V1027-K1031 PolarHBondContact O-N 3.43Å
1028	K	90.5	Very high	88.4	Confident	131 Å²	131	89.9 Å²	89.9	57%	0.57	50%	0.497	S	S	*	.	H	α-helix	trans	-67.9	-39.8	175.8	-171.7	178.3	179.3	-178.5	0	112.1	K1024 G1025 E1026 S1032	K1024-K1028 WeakPolarHBondContact O-CB 3.39Å; K1024-K1028 PolarHBondContact O-N 3.39Å; K1024-K1028 VanDerWaalsContact O-N 3.13Å; G1025-K1028 WeakPolarHBondContact O-CB 3.33Å; G1025-K1028 PolarHBondContact O-N 2.93Å; E1026-K1028 VanDerWaalsContact C-N 3.27Å; E1026-K1028 PolarHBondContact O-N 2.96Å; K1028-S1032 WeakPolarHBondContact O-CB 3.35Å; K1028-S1032 PolarHBondContact O-N 3.34Å; K1028-S1032 PolarHBondContact O-OG 3.38Å
1029	A	89.7	Confident	87.7	Confident	62 Å²	62	92.5 Å²	92.5	51%	0.512	50%	0.503	S	S	.	.	H	α-helix	trans	-66.1	-47.9	176	0	0	0	0	0	111.7	G1025 E1026 K1031 S1032 A1033	G1025-A1029 PolarHBondContact O-N 3.09Å; E1026-A1029 PolarHBondContact O-N 2.94Å; E1026-A1029 VanDerWaalsContact O-N 3.11Å; A1029-K1031 PolarHBondContact O-N 3.2Å; A1029-S1032 WeakPolarHBondContact O-CB 3.43Å; A1029-S1032 PolarHBondContact O-N 2.87Å; A1029-S1032 VanDerWaalsContact O-N 3.16Å; A1029-A1033 PolarHBondContact O-N 3.43Å
1030	L	90.3	Very high	87.1	Confident	96 Å²	96	94.2 Å²	94.2	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-59.6	-43.8	175.5	-72.3	171	0	0	0	111.8	E1026 S1032 A1033 I1034	E1026-L1030 HydrophobicContact CG-CD1 4.05Å; E1026-L1030 HydrophobicContact CG-CG 4.43Å; E1026-L1030 WeakPolarHBondContact O-CB 3.5Å; E1026-L1030 WeakPolarHBondContact O-CG 3.49Å; E1026-L1030 PolarHBondContact O-N 2.83Å; L1030-S1032 VanDerWaalsContact C-N 3.32Å; L1030-S1032 PolarHBondContact O-N 2.83Å; L1030-A1033 PolarHBondContact O-N 3.38Å; L1030-I1034 VanDerWaalsContact O-CG1 3.29Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.27Å; L1030-I1034 PolarHBondContact O-N 2.95Å
1031	K	89.2	Confident	85.7	Confident	56 Å²	56	96.3 Å²	96.3	24%	0.243	52%	0.515	C	S	.	.	H	α-helix	trans	-62.2	-39.2	175.4	-170	-178.7	179.5	-169.4	0	112.2	Q844 V1027 A1029 I1034 N1035	Q844-K1031 PolarHBondContact O-NZ 3.02Å; V1027-K1031 VanDerWaalsContact O-CB 3.29Å; V1027-K1031 WeakPolarHBondContact O-CB 3.11Å; V1027-K1031 PolarHBondContact O-N 3.43Å; A1029-K1031 PolarHBondContact O-N 3.2Å; K1031-I1034 PolarHBondContact O-N 2.84Å; K1031-N1035 PolarHBondContact O-N 3.47Å; K1031-N1035 PolarHBondContact O-OD1 2.92Å
1032	S	87.6	Confident	84.1	Confident	70 Å²	70	96.7 Å²	96.7	49%	0.49	52%	0.519	S	S	.	.	H	α-helix	trans	-66	-39.8	176.4	-55.1	0	0	0	0	111.8	K1028 A1029 L1030 N1035 L1036	K1028-S1032 WeakPolarHBondContact O-CB 3.35Å; K1028-S1032 PolarHBondContact O-N 3.34Å; K1028-S1032 PolarHBondContact O-OG 3.38Å; A1029-S1032 WeakPolarHBondContact O-CB 3.43Å; A1029-S1032 PolarHBondContact O-N 2.87Å; A1029-S1032 VanDerWaalsContact O-N 3.16Å; L1030-S1032 VanDerWaalsContact C-N 3.32Å; L1030-S1032 PolarHBondContact O-N 2.83Å; S1032-N1035 PolarHBondContact O-N 3.37Å; S1032-L1036 PolarHBondContact O-N 3.4Å; S1032-L1036 VanDerWaalsContact O-N 3.08Å
1033	A	87.8	Confident	82	Confident	41 Å²	41	97.4 Å²	97.4	34%	0.339	53%	0.53	S	S	.	.	H	α-helix	trans	-65.9	-43	174.2	0	0	0	0	0	112.2	A1029 L1030 L1036 F1037	A1029-A1033 PolarHBondContact O-N 3.43Å; L1030-A1033 PolarHBondContact O-N 3.38Å; A1033-L1036 PolarHBondContact O-N 3.38Å; A1033-F1037 WeakPolarHBondContact O-CD2 3.2Å; A1033-F1037 PolarHBondContact O-N 3.22Å
1034	I	81.8	Confident	79.5	Confident	103 Å²	103	97.9 Å²	97.9	53%	0.528	54%	0.54	S	S	.	.	H	α-helix	trans	-59.7	-46.9	175.3	-70.5	164.1	0	0	0	110.6	L1030 K1031 L1036 F1037 C1038	L1030-I1034 VanDerWaalsContact O-CG1 3.29Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.27Å; L1030-I1034 PolarHBondContact O-N 2.95Å; K1031-I1034 PolarHBondContact O-N 2.84Å; I1034-L1036 VanDerWaalsContact C-N 3.34Å; I1034-L1036 PolarHBondContact O-N 3.49Å; I1034-F1037 PolarHBondContact O-N 3.02Å; I1034-F1037 VanDerWaalsContact O-N 3.11Å; I1034-C1038 PolarHBondContact O-N 2.65Å; I1034-C1038 PolarHBondContact O-SG 3.23Å; I1034-C1038 VanDerWaalsContact O-SG 3.36Å
1035	N	83.9	Confident	77.1	Confident	77 Å²	77	98.2 Å²	98.2	41%	0.412	55%	0.55	S	S	.	.	H	α-helix	trans	-57.1	-46.1	175.6	-75.9	12.7	0	0	0	111.8	K1031 S1032 F1037 C1038 E1039	K1031-N1035 PolarHBondContact O-N 3.47Å; K1031-N1035 PolarHBondContact O-OD1 2.92Å; S1032-N1035 PolarHBondContact O-N 3.37Å; N1035-F1037 VanDerWaalsContact C-N 3.26Å; N1035-F1037 PolarHBondContact O-N 3.07Å; N1035-C1038 CarbonylContact O-C 3.59Å; N1035-C1038 WeakPolarHBondContact O-CA 3.38Å; N1035-C1038 WeakPolarHBondContact O-CB 3.33Å; N1035-C1038 PolarHBondContact O-N 3.35Å; N1035-E1039 WeakPolarHBondContact O-CG 3.33Å; N1035-E1039 PolarHBondContact O-N 3.19Å
1036	L	83.8	Confident	74.6	Confident	85 Å²	85	100.9 Å²	100.9	45%	0.445	56%	0.562	S	S	.	*	H	α-helix	trans	-62.5	-30	177.3	-177.3	65.7	0	0	0	113.1	S1032 A1033 I1034 K1040	S1032-L1036 PolarHBondContact O-N 3.4Å; S1032-L1036 VanDerWaalsContact O-N 3.08Å; A1033-L1036 PolarHBondContact O-N 3.38Å; I1034-L1036 VanDerWaalsContact C-N 3.34Å; I1034-L1036 PolarHBondContact O-N 3.49Å; L1036-K1040 WeakPolarHBondContact O-CD 3.42Å; L1036-K1040 VanDerWaalsContact O-CG 3.29Å; L1036-K1040 WeakPolarHBondContact O-CG 3.39Å; L1036-K1040 PolarHBondContact O-N 3.26Å
1037	F	82	Confident	72	Confident	137 Å²	137	99.4 Å²	99.4	60%	0.601	56%	0.563	S	S	*	*	H	α-helix	trans	-76.6	-36.5	170.8	-76.2	-65.3	0	0	0	112.3	A1033 I1034 N1035 K1040 L1041	A1033-F1037 WeakPolarHBondContact O-CD2 3.2Å; A1033-F1037 PolarHBondContact O-N 3.22Å; I1034-F1037 PolarHBondContact O-N 3.02Å; I1034-F1037 VanDerWaalsContact O-N 3.11Å; N1035-F1037 VanDerWaalsContact C-N 3.26Å; N1035-F1037 PolarHBondContact O-N 3.07Å; F1037-K1040 PolarHBondContact O-N 3.26Å; F1037-L1041 WeakPolarHBondContact O-CG 3.38Å; F1037-L1041 PolarHBondContact O-N 3.39Å; F1037-L1041 VanDerWaalsContact O-N 3.16Å
1038	C	75.4	Confident	69.6	Low	76 Å²	76	98.1 Å²	98.1	51%	0.514	56%	0.558	S	S	.	*	H	α-helix	trans	-64.3	-37.1	173	-68	0	0	0	0	112.7	I1034 N1035 K1040 L1041	I1034-C1038 PolarHBondContact O-N 2.65Å; I1034-C1038 PolarHBondContact O-SG 3.23Å; I1034-C1038 VanDerWaalsContact O-SG 3.36Å; N1035-C1038 CarbonylContact O-C 3.59Å; N1035-C1038 WeakPolarHBondContact O-CA 3.38Å; N1035-C1038 WeakPolarHBondContact O-CB 3.33Å; N1035-C1038 PolarHBondContact O-N 3.35Å; C1038-K1040 VanDerWaalsContact C-N 3.29Å; C1038-K1040 PolarHBondContact O-N 3.44Å; C1038-L1041 PolarHBondContact O-N 2.89Å
1039	E	78.7	Confident	67.2	Low	148 Å²	148	96.3 Å²	96.3	69%	0.692	56%	0.559	S	S	*	*	H	α-helix	trans	-68.4	-26.3	174	-72.4	166.2	-169.5	0	0	113	N1035	N1035-E1039 WeakPolarHBondContact O-CG 3.33Å; N1035-E1039 PolarHBondContact O-N 3.19Å
1040	K	77.2	Confident	64.8	Low	145 Å²	145	101.3 Å²	101.3	63%	0.63	56%	0.564	S	S	*	*	H	α-helix	trans	-85.7	-10.4	175.1	-73.6	173.8	-177.8	179.1	0	113.7	L1036 F1037 C1038	L1036-K1040 WeakPolarHBondContact O-CD 3.42Å; L1036-K1040 VanDerWaalsContact O-CG 3.29Å; L1036-K1040 WeakPolarHBondContact O-CG 3.39Å; L1036-K1040 PolarHBondContact O-N 3.26Å; F1037-K1040 PolarHBondContact O-N 3.26Å; C1038-K1040 VanDerWaalsContact C-N 3.29Å; C1038-K1040 PolarHBondContact O-N 3.44Å
1041	L	60.4	Low	62.5	Low	112 Å²	112	100.4 Å²	100.4	59%	0.586	57%	0.566	S	S	*	*	S	Bend	trans	-88	140.1	171.7	-72.3	166.4	0	0	0	109.1	F1037 C1038	F1037-L1041 WeakPolarHBondContact O-CG 3.38Å; F1037-L1041 PolarHBondContact O-N 3.39Å; F1037-L1041 VanDerWaalsContact O-N 3.16Å; C1038-L1041 PolarHBondContact O-N 2.89Å
1042	P	58	Low	60.5	Low	93 Å²	93	98.9 Å²	98.9	60%	0.604	56%	0.56	S	S	*	*			trans	-60.5	145.9	169.4	27.9	-34.2	0	0	0	109.6	S1044	P1042-S1044 VanDerWaalsContact O-CB 3.3Å; P1042-S1044 WeakPolarHBondContact O-CB 3.49Å; P1042-S1044 PolarHBondContact O-N 2.98Å
1043	P	49.3	Very low	58.5	Low	134 Å²	134	99.6 Å²	99.6	87%	0.87	57%	0.565	S	S	*	*	S	Bend	trans	-66.1	93.6	-173.9	26.4	-34.9	0	0	0	111.2
1044	S	39.7	Very low	56.5	Low	94 Å²	94	101 Å²	101	66%	0.657	57%	0.567	S	S	*	*			trans	-135.8	46.4	-163.6	-177.1	0	0	0	0	112	P1042	P1042-S1044 VanDerWaalsContact O-CB 3.3Å; P1042-S1044 WeakPolarHBondContact O-CB 3.49Å; P1042-S1044 PolarHBondContact O-N 2.98Å
1045	N	41.3	Very low	55.3	Low	162 Å²	162	103.8 Å²	103.8	87%	0.866	58%	0.578	S	S	*	*			trans	-114.4	2.7	-178.4	-65.1	64.8	0	0	0	113.2
1046	S	40.6	Very low	54	Low	94 Å²	94	106.6 Å²	106.6	66%	0.657	59%	0.593	S	S	*	*	S	Bend	trans	-122.2	79	-175	56.9	0	0	0	0	111.8
1047	S	36.7	Very low	52.9	Low	72 Å²	72	105.3 Å²	105.3	50%	0.503	59%	0.586	S	S	.	*			trans	66.4	148.1	180	-55.2	0	0	0	0	115.8	T1049	S1047-T1049 PolarHBondContact O-N 3.23Å
1048	S	38.3	Very low	52.1	Low	72 Å²	72	100.3 Å²	100.3	50%	0.503	57%	0.566	S	S	.	*			trans	-79.1	48.7	163.4	-62.4	0	0	0	0	111.7	R1050 S1100	S1048-R1050 PolarHBondContact O-N 3.24Å; S1048-S1100 PolarHBondContact N-OG 3.25Å; S1048-S1100 VanDerWaalsContact N-OG 3.08Å
1049	T	39.1	Very low	51.9	Low	94 Å²	94	99.2 Å²	99.2	58%	0.577	56%	0.559	S	S	*	*			trans	-68.2	77.7	148.5	33.8	0	0	0	0	107.6	S1047 S1051	S1047-T1049 PolarHBondContact O-N 3.23Å; T1049-S1051 VanDerWaalsContact C-N 3.33Å; T1049-S1051 PolarHBondContact O-N 2.77Å
1050	R	40.4	Very low	51.8	Low	166 Å²	166	98 Å²	98	63%	0.626	55%	0.549	S	S	*	.			trans	-56.2	108.3	146.9	-86	-165.8	-179.4	-152	6.6	105	S1048 I1052 D1054 I1098	S1048-R1050 PolarHBondContact O-N 3.24Å; R1050-I1052 PolarHBondContact O-N 3.32Å; R1050-D1054 IonicContact CZ-OD2 2.73Å; R1050-D1054 IonicContact NH1-OD2 4Å; R1050-D1054 PolarHBondContact NH1-OD2 2.98Å; R1050-I1098 WeakPolarHBondContact O-CD1 3.16Å
1051	S	40.1	Very low	51.8	Low	77 Å²	77	92.8 Å²	92.8	54%	0.538	53%	0.526	S	S	.	.			trans	-55	139.5	158.9	44.2	0	0	0	0	107.9	T1049 S1053	T1049-S1051 VanDerWaalsContact C-N 3.33Å; T1049-S1051 PolarHBondContact O-N 2.77Å; S1051-S1053 PolarHBondContact O-N 2.86Å; S1051-S1053 PolarHBondContact O-OG 3.33Å; S1051-S1053 PolarHBondContact OG-OG 3.29Å
1052	I	47.9	Very low	52.7	Low	24 Å²	24	89.3 Å²	89.3	12%	0.123	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	55.9	168.2	-44.2	-170.1	0	0	0	110	R1050 D1054 L1057 N1058 C1094 I1098	R1050-I1052 PolarHBondContact O-N 3.32Å; I1052-D1054 VanDerWaalsContact C-N 3.34Å; I1052-D1054 WeakPolarHBondContact CG2-O 3.45Å; I1052-L1057 HydrophobicContact CD1-CD2 4.39Å; I1052-L1057 HydrophobicContact CG2-CB 4.02Å; I1052-N1058 WeakPolarHBondContact CB-ND2 3.41Å; I1052-N1058 HydrophobicContact CG2-CB 3.57Å; I1052-N1058 VanDerWaalsContact CG2-CG 3.49Å; I1052-N1058 VanDerWaalsContact CG2-ND2 3.27Å; I1052-N1058 WeakPolarHBondContact CG2-ND2 3.36Å; I1052-N1058 PolarHBondContact O-ND2 3.14Å; I1052-C1094 HydrophobicContact CD1-CB 4.49Å; I1052-C1094 WeakPolarHBondContact CD1-O 3.14Å; I1052-I1098 HydrophobicContact CD1-CD1 3.88Å; I1052-I1098 HydrophobicContact CG1-CD1 3.47Å; I1052-I1098 VanDerWaalsContact CG1-CD1 3.47Å
1053	S	45.7	Very low	53.7	Low	86 Å²	86	90.1 Å²	90.1	60%	0.601	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-12.2	157.7	49.7	0	0	0	0	111.4	S1051 Q1055	S1051-S1053 PolarHBondContact O-N 2.86Å; S1051-S1053 PolarHBondContact O-OG 3.33Å; S1051-S1053 PolarHBondContact OG-OG 3.29Å; S1053-Q1055 PolarHBondContact O-N 2.97Å
1054	D	46.8	Very low	55.4	Low	69 Å²	69	86 Å²	86	37%	0.369	47%	0.473	S	S	.	.			trans	-61.8	89.2	155.4	-97.4	-33.2	0	0	0	108.3	R1050 I1052 N1056 L1057 N1058	R1050-D1054 IonicContact CZ-OD2 2.73Å; R1050-D1054 IonicContact NH1-OD2 4Å; R1050-D1054 PolarHBondContact NH1-OD2 2.98Å; I1052-D1054 VanDerWaalsContact C-N 3.34Å; I1052-D1054 WeakPolarHBondContact CG2-O 3.45Å; D1054-N1056 PolarHBondContact O-N 2.87Å; D1054-L1057 HydrophobicContact CB-CB 4.05Å; D1054-L1057 PolarHBondContact O-N 2.79Å; D1054-N1058 PolarHBondContact O-N 2.65Å
1055	Q	55.2	Low	57.6	Low	163 Å²	163	82.8 Å²	82.8	76%	0.762	45%	0.448	S	S	*	.	H	α-helix	trans	-54.3	-38.6	-178	-65.4	178.9	-4.5	0	0	111.4	S1053 L1057 N1058 S1059	S1053-Q1055 PolarHBondContact O-N 2.97Å; Q1055-L1057 VanDerWaalsContact C-N 3.29Å; Q1055-L1057 PolarHBondContact O-N 3.42Å; Q1055-N1058 PolarHBondContact O-N 2.91Å; Q1055-S1059 WeakPolarHBondContact O-CB 3.37Å; Q1055-S1059 PolarHBondContact O-N 2.81Å
1056	N	56.9	Low	59.6	Low	136 Å²	136	80.8 Å²	80.8	73%	0.727	43%	0.428	S	S	*	.	H	α-helix	trans	-56.5	-37.8	175.6	-65.1	-15.5	0	0	0	113.4	D1054 Y1060	D1054-N1056 PolarHBondContact O-N 2.87Å; N1056-Y1060 WeakPolarHBondContact O-CB 3.41Å; N1056-Y1060 PolarHBondContact O-N 3.49Å
1057	L	61.2	Low	61.6	Low	57 Å²	57	79 Å²	79	30%	0.298	42%	0.418	S	S	.	.	H	α-helix	trans	-77	-37.4	-177.4	-151.7	87.3	0	0	0	111.1	I1052 D1054 Q1055 S1059 Y1061	I1052-L1057 HydrophobicContact CD1-CD2 4.39Å; I1052-L1057 HydrophobicContact CG2-CB 4.02Å; D1054-L1057 HydrophobicContact CB-CB 4.05Å; D1054-L1057 PolarHBondContact O-N 2.79Å; Q1055-L1057 VanDerWaalsContact C-N 3.29Å; Q1055-L1057 PolarHBondContact O-N 3.42Å; L1057-S1059 VanDerWaalsContact C-N 3.35Å; L1057-Y1061 HydrophobicContact CD2-CE2 4.01Å; L1057-Y1061 HydrophobicContact CG-CD2 4.43Å; L1057-Y1061 HydrophobicContact CG-CE2 3.91Å; L1057-Y1061 WeakPolarHBondContact O-CD2 3.33Å; L1057-Y1061 PolarHBondContact O-N 3.25Å
1058	N	64.9	Low	63.9	Low	32 Å²	32	76.2 Å²	76.2	17%	0.171	40%	0.397	C	S	.	.	H	α-helix	trans	-68.7	-34.3	172.4	-119.9	-39.7	0	0	0	111.4	I1052 D1054 Q1055 S1062 N1095	I1052-N1058 WeakPolarHBondContact CB-ND2 3.41Å; I1052-N1058 HydrophobicContact CG2-CB 3.57Å; I1052-N1058 VanDerWaalsContact CG2-CG 3.49Å; I1052-N1058 VanDerWaalsContact CG2-ND2 3.27Å; I1052-N1058 WeakPolarHBondContact CG2-ND2 3.36Å; I1052-N1058 PolarHBondContact O-ND2 3.14Å; D1054-N1058 PolarHBondContact O-N 2.65Å; Q1055-N1058 PolarHBondContact O-N 2.91Å; N1058-S1062 VanDerWaalsContact O-CB 3.31Å; N1058-S1062 WeakPolarHBondContact O-CB 3.2Å; N1058-S1062 PolarHBondContact O-N 2.9Å; N1058-S1062 VanDerWaalsContact O-N 3.13Å; N1058-S1062 PolarHBondContact O-OG 2.92Å; N1058-N1095 PolarHBondContact ND2-OD1 3.48Å
1059	S	70.5	Confident	66.2	Low	54 Å²	54	73.3 Å²	73.3	38%	0.378	38%	0.376	S	S	.	.	H	α-helix	trans	-63	-52.3	172.6	-149.6	0	0	0	0	110.7	Q1055 L1057 Y1061 S1062 E1063	Q1055-S1059 WeakPolarHBondContact O-CB 3.37Å; Q1055-S1059 PolarHBondContact O-N 2.81Å; L1057-S1059 VanDerWaalsContact C-N 3.35Å; S1059-Y1061 PolarHBondContact O-N 3.48Å; S1059-S1062 CarbonylContact O-C 3.36Å; S1059-S1062 WeakPolarHBondContact O-CA 3.29Å; S1059-S1062 WeakPolarHBondContact O-CB 3.49Å; S1059-S1062 PolarHBondContact O-N 3.36Å; S1059-E1063 WeakPolarHBondContact CB-OE1 3.44Å; S1059-E1063 WeakPolarHBondContact O-CG 3.44Å; S1059-E1063 PolarHBondContact O-N 3.1Å; S1059-E1063 PolarHBondContact OG-OE1 2.98Å
1060	Y	77.3	Confident	68.3	Low	123 Å²	123	71 Å²	71	48%	0.482	36%	0.36	S	S	.	.	H	α-helix	trans	-53.4	-49.5	179.7	178.3	-101.8	0	0	0	113.3	N1056 S1062 E1063 W1064	N1056-Y1060 WeakPolarHBondContact O-CB 3.41Å; N1056-Y1060 PolarHBondContact O-N 3.49Å; Y1060-S1062 VanDerWaalsContact C-N 3.32Å; Y1060-S1062 PolarHBondContact O-N 3.13Å; Y1060-E1063 PolarHBondContact O-N 3.4Å; Y1060-W1064 WeakPolarHBondContact O-CB 3.33Å; Y1060-W1064 PolarHBondContact O-N 3.45Å
1061	Y	77.3	Confident	70.4	Confident	35 Å²	35	69.1 Å²	69.1	14%	0.137	36%	0.356	C	S	.	.	H	α-helix	trans	-68.4	-30.2	177.1	-67.5	-58.2	0	0	0	113	L1057 S1059 F1065	L1057-Y1061 HydrophobicContact CD2-CE2 4.01Å; L1057-Y1061 HydrophobicContact CG-CD2 4.43Å; L1057-Y1061 HydrophobicContact CG-CE2 3.91Å; L1057-Y1061 WeakPolarHBondContact O-CD2 3.33Å; L1057-Y1061 PolarHBondContact O-N 3.25Å; S1059-Y1061 PolarHBondContact O-N 3.48Å; Y1061-F1065 VanDerWaalsContact O-CB 3.27Å; Y1061-F1065 WeakPolarHBondContact O-CB 3.18Å; Y1061-F1065 PolarHBondContact O-N 3.08Å
1062	S	79.1	Confident	72.4	Confident	39 Å²	39	66.8 Å²	66.8	27%	0.273	34%	0.337	S	S	.	.	H	α-helix	trans	-72.7	-35.1	175.3	-59.6	0	0	0	0	112.6	N1058 S1059 Y1060 R1066	N1058-S1062 VanDerWaalsContact O-CB 3.31Å; N1058-S1062 WeakPolarHBondContact O-CB 3.2Å; N1058-S1062 PolarHBondContact O-N 2.9Å; N1058-S1062 VanDerWaalsContact O-N 3.13Å; N1058-S1062 PolarHBondContact O-OG 2.92Å; S1059-S1062 CarbonylContact O-C 3.36Å; S1059-S1062 WeakPolarHBondContact O-CA 3.29Å; S1059-S1062 WeakPolarHBondContact O-CB 3.49Å; S1059-S1062 PolarHBondContact O-N 3.36Å; Y1060-S1062 VanDerWaalsContact C-N 3.32Å; Y1060-S1062 PolarHBondContact O-N 3.13Å; S1062-R1066 WeakPolarHBondContact O-CB 3.37Å; S1062-R1066 WeakPolarHBondContact O-CG 2.91Å; S1062-R1066 PolarHBondContact O-N 2.89Å; S1062-R1066 VanDerWaalsContact O-N 3.11Å
1063	E	79.5	Confident	74.2	Confident	109 Å²	109	65.7 Å²	65.7	51%	0.509	33%	0.332	S	S	.	.	H	α-helix	trans	-71.7	-45.8	174.7	-73.2	160.2	-133.6	0	0	111.1	S1059 Y1060 F1065 R1066 A1067	S1059-E1063 WeakPolarHBondContact CB-OE1 3.44Å; S1059-E1063 WeakPolarHBondContact O-CG 3.44Å; S1059-E1063 PolarHBondContact O-N 3.1Å; S1059-E1063 PolarHBondContact OG-OE1 2.98Å; Y1060-E1063 PolarHBondContact O-N 3.4Å; E1063-F1065 PolarHBondContact O-N 3.31Å; E1063-R1066 PolarHBondContact O-N 2.87Å; E1063-A1067 WeakPolarHBondContact O-CB 3.43Å; E1063-A1067 PolarHBondContact O-N 3.28Å
1064	W	84.8	Confident	75.9	Confident	47 Å²	47	67.1 Å²	67.1	18%	0.178	33%	0.329	C	S	.	.	H	α-helix	trans	-58.1	-47.3	173.9	179.5	86.8	0	0	0	111.7	M201 E202 M205 Y1060 R1066 A1067 Y1068 F1090	M201-W1064 HydrophobicContact CB-CH2 4.13Å; M201-W1064 HydrophobicContact CB-CZ3 4.47Å; E202-W1064 HydrophobicContact CB-CZ2 4.34Å; M205-W1064 HydrophobicContact SD-CH2 3.78Å; M205-W1064 HydrophobicContact SD-CZ3 3.94Å; Y1060-W1064 WeakPolarHBondContact O-CB 3.33Å; Y1060-W1064 PolarHBondContact O-N 3.45Å; W1064-R1066 PolarHBondContact O-N 2.66Å; W1064-A1067 PolarHBondContact O-N 2.89Å; W1064-Y1068 HydrophobicContact CH2-CD2 4.1Å; W1064-Y1068 AromaticContact CZ2-CD2 3.99Å; W1064-Y1068 HydrophobicContact CZ2-CD2 3.99Å; W1064-Y1068 PolarHBondContact O-N 2.84Å; W1064-F1090 HydrophobicContact CE3-CZ 4.12Å; W1064-F1090 HydrophobicContact CZ3-CE2 4.13Å; W1064-F1090 HydrophobicContact CZ3-CZ 4.17Å
1065	F	85.5	Confident	77.5	Confident	27 Å²	27	69.1 Å²	69.1	12%	0.118	34%	0.343	C	S	.	.	H	α-helix	trans	-62.4	-40.9	177.8	-178.2	-96.7	0	0	0	112.1	M205 Y1061 E1063 Y1068 V1069 I1086 F1090	M205-F1065 HydrophobicContact CE-CD2 4.14Å; M205-F1065 HydrophobicContact CE-CE2 4.03Å; Y1061-F1065 VanDerWaalsContact O-CB 3.27Å; Y1061-F1065 WeakPolarHBondContact O-CB 3.18Å; Y1061-F1065 PolarHBondContact O-N 3.08Å; E1063-F1065 PolarHBondContact O-N 3.31Å; F1065-Y1068 PolarHBondContact O-N 3.2Å; F1065-V1069 HydrophobicContact CD1-CG2 4.07Å; F1065-V1069 HydrophobicContact CE1-CG2 3.71Å; F1065-V1069 HydrophobicContact CE2-CG2 4.29Å; F1065-V1069 HydrophobicContact CZ-CG2 3.82Å; F1065-V1069 WeakPolarHBondContact O-CB 3.39Å; F1065-V1069 WeakPolarHBondContact O-CG2 3.34Å; F1065-V1069 PolarHBondContact O-N 3.08Å; F1065-I1086 HydrophobicContact CE2-CG2 4.1Å; F1065-I1086 HydrophobicContact CZ-CG2 3.93Å; F1065-F1090 HydrophobicContact CB-CD1 4.07Å; F1065-F1090 HydrophobicContact CB-CE1 3.59Å; F1065-F1090 HydrophobicContact CB-CZ 4.09Å; F1065-F1090 HydrophobicContact CD2-CB 4.41Å; F1065-F1090 AromaticContact CD2-CD1 3.67Å; F1065-F1090 HydrophobicContact CD2-CD1 3.67Å; F1065-F1090 HydrophobicContact CD2-CD2 4.18Å; F1065-F1090 AromaticContact CD2-CE1 3.91Å; F1065-F1090 HydrophobicContact CD2-CE1 3.91Å; F1065-F1090 HydrophobicContact CD2-CE2 4.37Å; F1065-F1090 AromaticContact CD2-CG 3.82Å; F1065-F1090 HydrophobicContact CD2-CG 3.82Å; F1065-F1090 HydrophobicContact CD2-CZ 4.25Å; F1065-F1090 HydrophobicContact CE2-CB 4.2Å; F1065-F1090 HydrophobicContact CE2-CD1 4.27Å; F1065-F1090 HydrophobicContact CE2-CG 4.1Å; F1065-F1090 AromaticContact CG-CD1 3.85Å; F1065-F1090 HydrophobicContact CG-CD1 3.85Å; F1065-F1090 AromaticContact CG-CE1 3.9Å; F1065-F1090 HydrophobicContact CG-CE1 3.9Å; F1065-F1090 HydrophobicContact CG-CG 4.45Å
1066	R	84.6	Confident	78.8	Confident	121 Å²	121	62.3 Å²	62.3	46%	0.457	31%	0.312	S	S	.	.	H	α-helix	trans	-60.5	-46.5	172.9	-84.6	179	164.7	116.7	-11.5	112.5	S1062 E1063 W1064 Y1068 V1069 L1070 N1157 L1158	S1062-R1066 WeakPolarHBondContact O-CB 3.37Å; S1062-R1066 WeakPolarHBondContact O-CG 2.91Å; S1062-R1066 PolarHBondContact O-N 2.89Å; S1062-R1066 VanDerWaalsContact O-N 3.11Å; E1063-R1066 PolarHBondContact O-N 2.87Å; W1064-R1066 PolarHBondContact O-N 2.66Å; R1066-Y1068 VanDerWaalsContact C-N 3.34Å; R1066-V1069 PolarHBondContact O-N 3.38Å; R1066-L1070 PolarHBondContact O-N 3.08Å; R1066-N1157 PolarHBondContact NE-O 3.46Å; R1066-L1158 HydrophobicContact CB-CG 4.44Å
1067	A	82.8	Confident	80	Confident	55 Å²	55	58.6 Å²	58.6	46%	0.455	29%	0.288	S	S	.	.	H	α-helix	trans	-65	-38	179.8	0	0	0	0	0	112.1	E1063 W1064 K1071	E1063-A1067 WeakPolarHBondContact O-CB 3.43Å; E1063-A1067 PolarHBondContact O-N 3.28Å; W1064-A1067 PolarHBondContact O-N 2.89Å; A1067-K1071 PolarHBondContact O-N 3.36Å; A1067-K1071 VanDerWaalsContact O-N 3.11Å
1068	Y	84.9	Confident	81.1	Confident	15 Å²	15	56.3 Å²	56.3	6%	0.059	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-49.4	172.3	-167.9	-73.4	0	0	0	111.1	E202 M205 D209 W1064 F1065 R1066 L1070 K1071 Q1072 F1079	E202-Y1068 HydrophobicContact CG-CE2 4.27Å; M205-Y1068 HydrophobicContact CB-CE1 3.98Å; M205-Y1068 HydrophobicContact CB-CE2 4.34Å; M205-Y1068 WeakPolarHBondContact CB-OH 3.39Å; M205-Y1068 HydrophobicContact CE-CD1 3.38Å; M205-Y1068 HydrophobicContact CE-CD2 4.44Å; M205-Y1068 HydrophobicContact CE-CE1 3.6Å; M205-Y1068 HydrophobicContact CE-CG 3.85Å; D209-Y1068 PolarHBondContact OD2-OH 3.14Å; W1064-Y1068 HydrophobicContact CH2-CD2 4.1Å; W1064-Y1068 AromaticContact CZ2-CD2 3.99Å; W1064-Y1068 HydrophobicContact CZ2-CD2 3.99Å; W1064-Y1068 PolarHBondContact O-N 2.84Å; F1065-Y1068 PolarHBondContact O-N 3.2Å; R1066-Y1068 VanDerWaalsContact C-N 3.34Å; Y1068-L1070 VanDerWaalsContact C-N 3.27Å; Y1068-L1070 PolarHBondContact O-N 2.78Å; Y1068-K1071 PolarHBondContact O-N 3.29Å; Y1068-Q1072 HydrophobicContact CD1-CB 4.13Å; Y1068-Q1072 HydrophobicContact CE1-CB 3.93Å; Y1068-Q1072 HydrophobicContact CE1-CG 4.05Å; Y1068-Q1072 VanDerWaalsContact O-CB 3.29Å; Y1068-Q1072 WeakPolarHBondContact O-CB 3.24Å; Y1068-Q1072 PolarHBondContact O-N 3.45Å; Y1068-F1079 AromaticContact CD1-CE1 3.9Å; Y1068-F1079 HydrophobicContact CD1-CE1 3.9Å; Y1068-F1079 AromaticContact CD1-CZ 3.87Å; Y1068-F1079 HydrophobicContact CD1-CZ 3.87Å; Y1068-F1079 HydrophobicContact CE1-CE1 4.07Å; Y1068-F1079 HydrophobicContact CE1-CE2 4.29Å; Y1068-F1079 AromaticContact CE1-CZ 3.65Å; Y1068-F1079 HydrophobicContact CE1-CZ 3.65Å
1069	V	85.3	Confident	82	Confident	11 Å²	11	54.8 Å²	54.8	7%	0.067	27%	0.267	C	S	.	.	H	α-helix	trans	-57.9	-39.1	178	171.5	0	0	0	0	111.7	F1065 R1066 T1073 F1079	F1065-V1069 HydrophobicContact CD1-CG2 4.07Å; F1065-V1069 HydrophobicContact CE1-CG2 3.71Å; F1065-V1069 HydrophobicContact CE2-CG2 4.29Å; F1065-V1069 HydrophobicContact CZ-CG2 3.82Å; F1065-V1069 WeakPolarHBondContact O-CB 3.39Å; F1065-V1069 WeakPolarHBondContact O-CG2 3.34Å; F1065-V1069 PolarHBondContact O-N 3.08Å; R1066-V1069 PolarHBondContact O-N 3.38Å; V1069-T1073 WeakPolarHBondContact O-CB 3.44Å; V1069-T1073 PolarHBondContact O-N 2.94Å; V1069-T1073 PolarHBondContact O-OG1 3.27Å; V1069-F1079 HydrophobicContact CB-CE1 4.28Å; V1069-F1079 HydrophobicContact CG1-CD1 4.49Å; V1069-F1079 HydrophobicContact CG2-CD1 4.39Å; V1069-F1079 HydrophobicContact CG2-CE1 3.78Å
1070	L	84.7	Confident	82.7	Confident	45 Å²	45	52.7 Å²	52.7	24%	0.236	25%	0.251	C	S	.	.	H	α-helix	trans	-59.4	-62.9	172.9	-175.4	80.8	0	0	0	111.5	R1066 Y1068 Q1072 T1073 E1074 S1154 I1155 L1158	R1066-L1070 PolarHBondContact O-N 3.08Å; Y1068-L1070 VanDerWaalsContact C-N 3.27Å; Y1068-L1070 PolarHBondContact O-N 2.78Å; L1070-Q1072 PolarHBondContact O-N 3.44Å; L1070-Q1072 VanDerWaalsContact O-N 3.13Å; L1070-T1073 PolarHBondContact O-N 2.88Å; L1070-T1073 VanDerWaalsContact O-N 3.14Å; L1070-E1074 PolarHBondContact O-N 3.35Å; L1070-E1074 VanDerWaalsContact O-N 3.08Å; L1070-S1154 WeakPolarHBondContact CA-OG 3.44Å; L1070-I1155 HydrophobicContact CD1-CB 4.48Å; L1070-I1155 HydrophobicContact CD1-CG1 3.67Å; L1070-L1158 HydrophobicContact CB-CD1 4.01Å; L1070-L1158 HydrophobicContact CD1-CD1 4.17Å; L1070-L1158 HydrophobicContact CD2-CD1 3.91Å; L1070-L1158 HydrophobicContact CG-CD1 4.25Å
1071	K	83.4	Confident	83.1	Confident	126 Å²	126	48.1 Å²	48.1	55%	0.548	24%	0.235	S	C	.	.	H	α-helix	trans	-50.6	-41.6	-178.3	179.9	-168.4	172.9	-161.1	0	111.7	A1067 Y1068	A1067-K1071 PolarHBondContact O-N 3.36Å; A1067-K1071 VanDerWaalsContact O-N 3.11Å; Y1068-K1071 PolarHBondContact O-N 3.29Å
1072	Q	82.1	Confident	83.3	Confident	29 Å²	29	48.1 Å²	48.1	14%	0.136	24%	0.236	C	C	.	.	H	α-helix	trans	-84.3	-29	-174.7	-164.1	58.4	16.8	0	0	113.5	D209 Y1068 L1070 E1074 V1075 N1076 F1079	D209-Q1072 VanDerWaalsContact CG-CD 3.42Å; D209-Q1072 VanDerWaalsContact CG-CG 3.5Å; D209-Q1072 VanDerWaalsContact OD1-CD 3.29Å; D209-Q1072 WeakPolarHBondContact OD1-CG 3.48Å; D209-Q1072 PolarHBondContact OD1-NE2 3.32Å; D209-Q1072 WeakPolarHBondContact OD2-CG 3.16Å; D209-Q1072 PolarHBondContact OD2-NE2 3.06Å; Y1068-Q1072 HydrophobicContact CD1-CB 4.13Å; Y1068-Q1072 HydrophobicContact CE1-CB 3.93Å; Y1068-Q1072 HydrophobicContact CE1-CG 4.05Å; Y1068-Q1072 VanDerWaalsContact O-CB 3.29Å; Y1068-Q1072 WeakPolarHBondContact O-CB 3.24Å; Y1068-Q1072 PolarHBondContact O-N 3.45Å; L1070-Q1072 PolarHBondContact O-N 3.44Å; L1070-Q1072 VanDerWaalsContact O-N 3.13Å; Q1072-E1074 VanDerWaalsContact C-N 3.31Å; Q1072-V1075 PolarHBondContact O-N 3Å; Q1072-N1076 PolarHBondContact O-N 3.45Å; Q1072-F1079 HydrophobicContact CB-CB 4.44Å; Q1072-F1079 HydrophobicContact CB-CD1 3.71Å; Q1072-F1079 HydrophobicContact CB-CD2 4.47Å; Q1072-F1079 HydrophobicContact CB-CE1 4.02Å; Q1072-F1079 HydrophobicContact CB-CG 3.95Å; Q1072-F1079 HydrophobicContact CG-CB 4.02Å; Q1072-F1079 HydrophobicContact CG-CD1 3.85Å; Q1072-F1079 HydrophobicContact CG-CD2 3.7Å; Q1072-F1079 HydrophobicContact CG-CE1 4.2Å; Q1072-F1079 HydrophobicContact CG-CE2 4.05Å; Q1072-F1079 HydrophobicContact CG-CG 3.57Å; Q1072-F1079 HydrophobicContact CG-CZ 4.3Å
1073	T	85.3	Confident	83.7	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-70.9	-26.9	171.8	-58.2	0	0	0	0	112.1	V1069 L1070 N1076 W1077 R1151	V1069-T1073 WeakPolarHBondContact O-CB 3.44Å; V1069-T1073 PolarHBondContact O-N 2.94Å; V1069-T1073 PolarHBondContact O-OG1 3.27Å; L1070-T1073 PolarHBondContact O-N 2.88Å; L1070-T1073 VanDerWaalsContact O-N 3.14Å; T1073-N1076 CarbonylContact O-C 3.48Å; T1073-W1077 WeakPolarHBondContact O-CA 3.43Å; T1073-W1077 PolarHBondContact O-N 2.94Å; T1073-R1151 HydrophobicContact CG2-CG 4.17Å
1074	E	81.3	Confident	84	Confident	116 Å²	116	43.1 Å²	43.1	54%	0.542	21%	0.21	S	C	.	.	H	α-helix	trans	-62	-50.1	170.1	-71.5	178.9	168.9	0	0	111.1	L1070 Q1072 R1151	L1070-E1074 PolarHBondContact O-N 3.35Å; L1070-E1074 VanDerWaalsContact O-N 3.08Å; Q1072-E1074 VanDerWaalsContact C-N 3.31Å; E1074-R1151 PolarHBondContact O-NE 3.21Å
1075	V	81.1	Confident	83.9	Confident	110 Å²	110	42.6 Å²	42.6	67%	0.667	21%	0.211	S	C	*	.	H	α-helix	trans	-63.6	-59.3	177.1	178.7	0	0	0	0	111.2	Q1072	Q1072-V1075 PolarHBondContact O-N 3Å
1076	N	82.9	Confident	83.8	Confident	21 Å²	21	43 Å²	43	11%	0.112	21%	0.214	C	C	.	.			trans	-129.4	108.6	177.6	-166.7	-19.2	0	0	0	110.9	D213 Q1072 T1073 K1078 F1079	D213-N1076 PolarHBondContact OD1-ND2 3.24Å; D213-N1076 PolarHBondContact OD2-ND2 3.36Å; Q1072-N1076 PolarHBondContact O-N 3.45Å; T1073-N1076 CarbonylContact O-C 3.48Å; N1076-K1078 PolarHBondContact O-N 3.47Å; N1076-K1078 VanDerWaalsContact OD1-CB 3.3Å; N1076-K1078 WeakPolarHBondContact OD1-CB 3.15Å; N1076-K1078 WeakPolarHBondContact OD1-CD 3.4Å; N1076-K1078 WeakPolarHBondContact OD1-CG 3.29Å; N1076-K1078 PolarHBondContact OD1-N 2.79Å; N1076-K1078 VanDerWaalsContact OD1-N 3.13Å; N1076-F1079 VanDerWaalsContact O-CB 3.3Å; N1076-F1079 WeakPolarHBondContact O-CB 3.42Å; N1076-F1079 PolarHBondContact O-N 3.37Å
1077	W	82.6	Confident	83.7	Confident	58 Å²	58	38.3 Å²	38.3	22%	0.22	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-25.4	-178.9	69.9	-89.3	0	0	0	113.5	T1073 F1079 Y1080 I1081 L1146 P1147	T1073-W1077 WeakPolarHBondContact O-CA 3.43Å; T1073-W1077 PolarHBondContact O-N 2.94Å; W1077-F1079 PolarHBondContact O-N 2.87Å; W1077-Y1080 WeakPolarHBondContact O-CB 3.47Å; W1077-Y1080 PolarHBondContact O-N 2.92Å; W1077-I1081 HydrophobicContact CH2-CD1 4.49Å; W1077-I1081 HydrophobicContact CZ3-CD1 3.8Å; W1077-L1146 HydrophobicContact CE3-CG 4.33Å; W1077-L1146 HydrophobicContact CH2-CD2 4.04Å; W1077-L1146 HydrophobicContact CH2-CG 4.33Å; W1077-L1146 HydrophobicContact CZ3-CB 4.38Å; W1077-L1146 HydrophobicContact CZ3-CD2 3.7Å; W1077-L1146 HydrophobicContact CZ3-CG 3.65Å; W1077-P1147 HydrophobicContact CB-CB 4.17Å; W1077-P1147 HydrophobicContact CD2-CB 3.8Å; W1077-P1147 HydrophobicContact CD2-CG 3.92Å; W1077-P1147 HydrophobicContact CE3-CB 4.44Å; W1077-P1147 HydrophobicContact CE3-CG 4.42Å; W1077-P1147 HydrophobicContact CG-CB 3.63Å; W1077-P1147 HydrophobicContact CG-CG 4.24Å; W1077-P1147 HydrophobicContact CZ2-CG 4.16Å
1078	K	84	Confident	83.5	Confident	9 Å²	9	40.6 Å²	40.6	4%	0.039	20%	0.2	C	C	.	.	H	α-helix	trans	-61.5	-24.5	175.6	-63.8	168.4	179.3	170.8	0	112.2	L212 D213 L216 D217 N1076 Y1080 I1081 F1082	L212-K1078 HydrophobicContact CD2-CB 3.79Å; L212-K1078 HydrophobicContact CG-CB 4.1Å; D213-K1078 VanDerWaalsContact OD1-CD 3.27Å; D213-K1078 WeakPolarHBondContact OD1-CD 3.25Å; D213-K1078 WeakPolarHBondContact OD1-CE 3.34Å; D213-K1078 IonicContact OD1-NZ 2.64Å; D213-K1078 PolarHBondContact OD1-NZ 3.42Å; L216-K1078 HydrophobicContact CB-CD 4.04Å; L216-K1078 HydrophobicContact CB-CG 4.48Å; L216-K1078 HydrophobicContact CD1-CB 4.29Å; L216-K1078 HydrophobicContact CD2-CB 4.1Å; L216-K1078 HydrophobicContact CD2-CG 4.13Å; D217-K1078 WeakPolarHBondContact OD1-CE 3.45Å; D217-K1078 IonicContact OD1-NZ 3.44Å; D217-K1078 PolarHBondContact OD1-NZ 3.33Å; D217-K1078 IonicContact OD2-NZ 3.49Å; D217-K1078 PolarHBondContact OD2-NZ 2.93Å; N1076-K1078 PolarHBondContact O-N 3.47Å; N1076-K1078 VanDerWaalsContact OD1-CB 3.3Å; N1076-K1078 WeakPolarHBondContact OD1-CB 3.15Å; N1076-K1078 WeakPolarHBondContact OD1-CD 3.4Å; N1076-K1078 WeakPolarHBondContact OD1-CG 3.29Å; N1076-K1078 PolarHBondContact OD1-N 2.79Å; N1076-K1078 VanDerWaalsContact OD1-N 3.13Å; K1078-Y1080 PolarHBondContact O-N 3.04Å; K1078-I1081 WeakPolarHBondContact O-CB 3.47Å; K1078-I1081 PolarHBondContact O-N 2.82Å; K1078-F1082 PolarHBondContact O-N 2.84Å
1079	F	84	Confident	83.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.1	-29	179.1	-166.5	-100.5	0	0	0	112	M205 D209 L212 Y1068 V1069 Q1072 N1076 W1077 I1081 F1082 S1083	M205-F1079 HydrophobicContact CE-CZ 3.9Å; D209-F1079 WeakPolarHBondContact OD1-CD2 3.5Å; D209-F1079 WeakPolarHBondContact OD1-CE2 3.38Å; L212-F1079 HydrophobicContact CD2-CB 3.97Å; L212-F1079 HydrophobicContact CD2-CD2 4.12Å; Y1068-F1079 AromaticContact CD1-CE1 3.9Å; Y1068-F1079 HydrophobicContact CD1-CE1 3.9Å; Y1068-F1079 AromaticContact CD1-CZ 3.87Å; Y1068-F1079 HydrophobicContact CD1-CZ 3.87Å; Y1068-F1079 HydrophobicContact CE1-CE1 4.07Å; Y1068-F1079 HydrophobicContact CE1-CE2 4.29Å; Y1068-F1079 AromaticContact CE1-CZ 3.65Å; Y1068-F1079 HydrophobicContact CE1-CZ 3.65Å; V1069-F1079 HydrophobicContact CB-CE1 4.28Å; V1069-F1079 HydrophobicContact CG1-CD1 4.49Å; V1069-F1079 HydrophobicContact CG2-CD1 4.39Å; V1069-F1079 HydrophobicContact CG2-CE1 3.78Å; Q1072-F1079 HydrophobicContact CB-CB 4.44Å; Q1072-F1079 HydrophobicContact CB-CD1 3.71Å; Q1072-F1079 HydrophobicContact CB-CD2 4.47Å; Q1072-F1079 HydrophobicContact CB-CE1 4.02Å; Q1072-F1079 HydrophobicContact CB-CG 3.95Å; Q1072-F1079 HydrophobicContact CG-CB 4.02Å; Q1072-F1079 HydrophobicContact CG-CD1 3.85Å; Q1072-F1079 HydrophobicContact CG-CD2 3.7Å; Q1072-F1079 HydrophobicContact CG-CE1 4.2Å; Q1072-F1079 HydrophobicContact CG-CE2 4.05Å; Q1072-F1079 HydrophobicContact CG-CG 3.57Å; Q1072-F1079 HydrophobicContact CG-CZ 4.3Å; N1076-F1079 VanDerWaalsContact O-CB 3.3Å; N1076-F1079 WeakPolarHBondContact O-CB 3.42Å; N1076-F1079 PolarHBondContact O-N 3.37Å; W1077-F1079 PolarHBondContact O-N 2.87Å; F1079-I1081 VanDerWaalsContact C-N 3.31Å; F1079-I1081 PolarHBondContact O-N 3.3Å; F1079-F1082 HydrophobicContact CD2-CD1 4Å; F1079-F1082 AromaticContact CE2-CD1 3.57Å; F1079-F1082 HydrophobicContact CE2-CD1 3.57Å; F1079-F1082 HydrophobicContact CE2-CE1 4.09Å; F1079-F1082 HydrophobicContact CZ-CD1 4.11Å; F1079-F1082 PolarHBondContact O-N 2.82Å; F1079-S1083 WeakPolarHBondContact O-CB 3.45Å; F1079-S1083 PolarHBondContact O-N 2.65Å
1080	Y	85.1	Confident	83.2	Confident	9 Å²	9	40.9 Å²	40.9	4%	0.035	20%	0.201	C	C	.	.	H	α-helix	trans	-58.2	-43	171.6	-175.7	-109.9	0	0	0	112	W1077 K1078 S1083 L1084 L1133 L1153	W1077-Y1080 WeakPolarHBondContact O-CB 3.47Å; W1077-Y1080 PolarHBondContact O-N 2.92Å; K1078-Y1080 PolarHBondContact O-N 3.04Å; Y1080-S1083 WeakPolarHBondContact O-CB 3.46Å; Y1080-S1083 PolarHBondContact O-N 3.07Å; Y1080-S1083 PolarHBondContact O-OG 3.22Å; Y1080-L1084 HydrophobicContact CE1-CD1 4.05Å; Y1080-L1084 WeakPolarHBondContact O-CG 3.29Å; Y1080-L1084 PolarHBondContact O-N 3.12Å; Y1080-L1133 HydrophobicContact CD1-CD1 4.26Å; Y1080-L1133 HydrophobicContact CE1-CD1 4.09Å; Y1080-L1153 HydrophobicContact CE1-CB 4.15Å; Y1080-L1153 HydrophobicContact CE1-CD1 3.88Å; Y1080-L1153 HydrophobicContact CE2-CB 4.03Å
1081	I	83.9	Confident	83	Confident	27 Å²	27	44.7 Å²	44.7	14%	0.138	22%	0.216	C	C	.	.	H	α-helix	trans	-65.4	-42.7	177.5	-60.6	176.5	0	0	0	110.6	L216 W1077 K1078 F1079 S1083 L1084 L1133 L1146	L216-I1081 HydrophobicContact CD2-CB 4.32Å; L216-I1081 HydrophobicContact CD2-CD1 3.85Å; L216-I1081 HydrophobicContact CD2-CG2 4.32Å; W1077-I1081 HydrophobicContact CH2-CD1 4.49Å; W1077-I1081 HydrophobicContact CZ3-CD1 3.8Å; K1078-I1081 WeakPolarHBondContact O-CB 3.47Å; K1078-I1081 PolarHBondContact O-N 2.82Å; F1079-I1081 VanDerWaalsContact C-N 3.31Å; F1079-I1081 PolarHBondContact O-N 3.3Å; I1081-S1083 VanDerWaalsContact C-N 3.34Å; I1081-S1083 PolarHBondContact O-N 3.18Å; I1081-L1084 PolarHBondContact O-N 2.79Å; I1081-L1133 HydrophobicContact CD1-CD2 4.06Å; I1081-L1133 HydrophobicContact CG1-CD1 4.19Å; I1081-L1133 HydrophobicContact CG1-CD2 4.12Å; I1081-L1146 HydrophobicContact CD1-CD2 4.23Å
1082	F	83.4	Confident	82.9	Confident	35 Å²	35	40.5 Å²	40.5	15%	0.154	20%	0.202	C	C	.	.	H	α-helix	trans	-62.4	-40.7	174.2	-179.8	-109.5	0	0	0	111.9	I208 L212 K1078 F1079 L1084 I1085 I1086	I208-F1082 HydrophobicContact CD1-CZ 3.99Å; I208-F1082 HydrophobicContact CG2-CD1 4.47Å; I208-F1082 HydrophobicContact CG2-CD2 4.47Å; I208-F1082 HydrophobicContact CG2-CE1 3.93Å; I208-F1082 HydrophobicContact CG2-CE2 3.94Å; I208-F1082 HydrophobicContact CG2-CZ 3.65Å; L212-F1082 HydrophobicContact CD1-CB 4.01Å; L212-F1082 HydrophobicContact CD1-CG 4.4Å; K1078-F1082 PolarHBondContact O-N 2.84Å; F1079-F1082 HydrophobicContact CD2-CD1 4Å; F1079-F1082 AromaticContact CE2-CD1 3.57Å; F1079-F1082 HydrophobicContact CE2-CD1 3.57Å; F1079-F1082 HydrophobicContact CE2-CE1 4.09Å; F1079-F1082 HydrophobicContact CZ-CD1 4.11Å; F1079-F1082 PolarHBondContact O-N 2.82Å; F1082-L1084 VanDerWaalsContact C-N 3.27Å; F1082-L1084 PolarHBondContact O-N 3.39Å; F1082-I1085 PolarHBondContact O-N 3.4Å; F1082-I1086 HydrophobicContact CD1-CB 4.32Å; F1082-I1086 HydrophobicContact CD1-CG2 3.9Å; F1082-I1086 HydrophobicContact CE1-CB 3.82Å; F1082-I1086 HydrophobicContact CE1-CG1 4.02Å; F1082-I1086 HydrophobicContact CE1-CG2 3.66Å; F1082-I1086 HydrophobicContact CE2-CB 4.17Å; F1082-I1086 HydrophobicContact CE2-CD1 4.47Å; F1082-I1086 HydrophobicContact CZ-CB 3.71Å; F1082-I1086 HydrophobicContact CZ-CD1 3.9Å; F1082-I1086 HydrophobicContact CZ-CG1 3.77Å; F1082-I1086 HydrophobicContact CZ-CG2 4.11Å; F1082-I1086 WeakPolarHBondContact O-CG2 3.41Å; F1082-I1086 PolarHBondContact O-N 3.1Å
1083	S	87	Confident	82.8	Confident	12 Å²	12	40.1 Å²	40.1	8%	0.084	20%	0.199	C	C	.	.	H	α-helix	trans	-56.9	-37.1	178.4	85.9	0	0	0	0	112.8	F1079 Y1080 I1081 I1085 G1087	F1079-S1083 WeakPolarHBondContact O-CB 3.45Å; F1079-S1083 PolarHBondContact O-N 2.65Å; Y1080-S1083 WeakPolarHBondContact O-CB 3.46Å; Y1080-S1083 PolarHBondContact O-N 3.07Å; Y1080-S1083 PolarHBondContact O-OG 3.22Å; I1081-S1083 VanDerWaalsContact C-N 3.34Å; I1081-S1083 PolarHBondContact O-N 3.18Å; S1083-I1085 VanDerWaalsContact C-N 3.28Å; S1083-I1085 PolarHBondContact O-N 3.25Å; S1083-G1087 WeakPolarHBondContact O-CA 3.21Å; S1083-G1087 PolarHBondContact O-N 3.35Å
1084	L	84.9	Confident	82.5	Confident	32 Å²	32	40.7 Å²	40.7	17%	0.168	20%	0.203	C	C	.	.	H	α-helix	trans	-68.3	-25.1	177.6	-65.7	176	0	0	0	113.2	Y1080 I1081 F1082 R1088 A1129 T1132 L1133	Y1080-L1084 HydrophobicContact CE1-CD1 4.05Å; Y1080-L1084 WeakPolarHBondContact O-CG 3.29Å; Y1080-L1084 PolarHBondContact O-N 3.12Å; I1081-L1084 PolarHBondContact O-N 2.79Å; F1082-L1084 VanDerWaalsContact C-N 3.27Å; F1082-L1084 PolarHBondContact O-N 3.39Å; L1084-R1088 PolarHBondContact O-NH1 3.42Å; L1084-A1129 HydrophobicContact CB-CB 3.75Å; L1084-T1132 HydrophobicContact CD1-CG2 4.33Å; L1084-T1132 HydrophobicContact CD2-CG2 3.96Å; L1084-L1133 HydrophobicContact CD1-CB 4.42Å; L1084-L1133 HydrophobicContact CD1-CD1 4.06Å
1085	I	83.1	Confident	82.2	Confident	36 Å²	36	38.3 Å²	38.3	19%	0.185	20%	0.195	C	C	.	.	H	α-helix	trans	-88.3	-56.7	176.9	-57.1	164.7	0	0	0	109.2	F1082 S1083 G1087 V1126 A1129	F1082-I1085 PolarHBondContact O-N 3.4Å; S1083-I1085 VanDerWaalsContact C-N 3.28Å; S1083-I1085 PolarHBondContact O-N 3.25Å; I1085-G1087 VanDerWaalsContact C-N 3.34Å; I1085-G1087 PolarHBondContact O-N 2.89Å; I1085-V1126 HydrophobicContact CD1-CG2 4.14Å; I1085-V1126 HydrophobicContact CG1-CG2 4.35Å; I1085-V1126 HydrophobicContact CG2-CG2 4.08Å; I1085-A1129 HydrophobicContact CG1-CB 3.63Å
1086	I	82.6	Confident	81.8	Confident	36 Å²	36	36.8 Å²	36.8	19%	0.185	19%	0.186	C	C	.	.	H	α-helix	trans	-70.5	-26.4	-174.7	-158.8	69	0	0	0	112.5	F1065 F1082 R1088 I1089 F1090	F1065-I1086 HydrophobicContact CE2-CG2 4.1Å; F1065-I1086 HydrophobicContact CZ-CG2 3.93Å; F1082-I1086 HydrophobicContact CD1-CB 4.32Å; F1082-I1086 HydrophobicContact CD1-CG2 3.9Å; F1082-I1086 HydrophobicContact CE1-CB 3.82Å; F1082-I1086 HydrophobicContact CE1-CG1 4.02Å; F1082-I1086 HydrophobicContact CE1-CG2 3.66Å; F1082-I1086 HydrophobicContact CE2-CB 4.17Å; F1082-I1086 HydrophobicContact CE2-CD1 4.47Å; F1082-I1086 HydrophobicContact CZ-CB 3.71Å; F1082-I1086 HydrophobicContact CZ-CD1 3.9Å; F1082-I1086 HydrophobicContact CZ-CG1 3.77Å; F1082-I1086 HydrophobicContact CZ-CG2 4.11Å; F1082-I1086 WeakPolarHBondContact O-CG2 3.41Å; F1082-I1086 PolarHBondContact O-N 3.1Å; I1086-R1088 VanDerWaalsContact C-N 3.29Å; I1086-R1088 PolarHBondContact O-N 3.26Å; I1086-I1089 HydrophobicContact CD1-CB 4.09Å; I1086-I1089 HydrophobicContact CD1-CD1 4.17Å; I1086-I1089 HydrophobicContact CD1-CG2 4.07Å; I1086-I1089 CarbonylContact O-C 3.57Å; I1086-I1089 WeakPolarHBondContact O-CA 3.39Å; I1086-I1089 WeakPolarHBondContact O-CB 3.28Å; I1086-I1089 PolarHBondContact O-N 3.29Å; I1086-F1090 WeakPolarHBondContact O-CB 3.43Å; I1086-F1090 PolarHBondContact O-N 2.86Å
1087	G	83	Confident	81	Confident	22 Å²	22	36.3 Å²	36.3	23%	0.227	18%	0.183	C	C	.	.	H	α-helix	trans	-60.1	-32.4	-175.8	0	0	0	0	0	114.6	S1083 I1085 K1091	S1083-G1087 WeakPolarHBondContact O-CA 3.21Å; S1083-G1087 PolarHBondContact O-N 3.35Å; I1085-G1087 VanDerWaalsContact C-N 3.34Å; I1085-G1087 PolarHBondContact O-N 2.89Å; G1087-K1091 WeakPolarHBondContact O-CB 3.4Å; G1087-K1091 PolarHBondContact O-N 3.46Å; G1087-K1091 VanDerWaalsContact O-N 3.14Å
1088	R	78.8	Confident	80.1	Confident	102 Å²	102	35.8 Å²	35.8	39%	0.385	18%	0.184	S	C	.	.	H	α-helix	trans	-71.5	-37.6	171.2	-69	-171.1	-173.3	74.3	8.9	112.2	L1084 I1086 S1092 Q1128	L1084-R1088 PolarHBondContact O-NH1 3.42Å; I1086-R1088 VanDerWaalsContact C-N 3.29Å; I1086-R1088 PolarHBondContact O-N 3.26Å; R1088-S1092 WeakPolarHBondContact O-CB 3.07Å; R1088-S1092 PolarHBondContact O-N 3.44Å; R1088-Q1128 VanDerWaalsContact NE-OE1 3.08Å
1089	I	81.8	Confident	79	Confident	17 Å²	17	37 Å²	37	9%	0.087	19%	0.194	C	C	.	.	H	α-helix	trans	-69.5	-48.9	-179.1	-60.8	171	0	0	0	109.3	I1086 K1091 S1092 Y1093 W1112 L1122	I1086-I1089 HydrophobicContact CD1-CB 4.09Å; I1086-I1089 HydrophobicContact CD1-CD1 4.17Å; I1086-I1089 HydrophobicContact CD1-CG2 4.07Å; I1086-I1089 CarbonylContact O-C 3.57Å; I1086-I1089 WeakPolarHBondContact O-CA 3.39Å; I1086-I1089 WeakPolarHBondContact O-CB 3.28Å; I1086-I1089 PolarHBondContact O-N 3.29Å; I1089-K1091 PolarHBondContact O-N 3Å; I1089-S1092 CarbonylContact O-C 3.49Å; I1089-S1092 WeakPolarHBondContact O-CA 3.36Å; I1089-S1092 WeakPolarHBondContact O-CB 3.35Å; I1089-S1092 PolarHBondContact O-N 3.38Å; I1089-Y1093 PolarHBondContact O-N 3.24Å; I1089-W1112 HydrophobicContact CG2-CH2 3.51Å; I1089-W1112 HydrophobicContact CG2-CZ2 3.57Å; I1089-W1112 WeakPolarHBondContact O-CZ2 3.42Å; I1089-L1122 HydrophobicContact CD1-CD2 3.47Å; I1089-L1122 VanDerWaalsContact CD1-CD2 3.47Å
1090	F	82.7	Confident	78.1	Confident	16 Å²	16	39.9 Å²	39.9	7%	0.07	21%	0.214	C	C	.	.	H	α-helix	trans	-55	-47.6	172.5	-179.8	-100	0	0	0	112	M201 W1064 F1065 I1086 S1092 Y1093 C1094	M201-F1090 HydrophobicContact CE-CD2 3.82Å; M201-F1090 HydrophobicContact CE-CE2 4.05Å; M201-F1090 HydrophobicContact CG-CE2 4.31Å; M201-F1090 HydrophobicContact SD-CD2 4.35Å; M201-F1090 HydrophobicContact SD-CE2 4.43Å; W1064-F1090 HydrophobicContact CE3-CZ 4.12Å; W1064-F1090 HydrophobicContact CZ3-CE2 4.13Å; W1064-F1090 HydrophobicContact CZ3-CZ 4.17Å; F1065-F1090 HydrophobicContact CB-CD1 4.07Å; F1065-F1090 HydrophobicContact CB-CE1 3.59Å; F1065-F1090 HydrophobicContact CB-CZ 4.09Å; F1065-F1090 HydrophobicContact CD2-CB 4.41Å; F1065-F1090 AromaticContact CD2-CD1 3.67Å; F1065-F1090 HydrophobicContact CD2-CD1 3.67Å; F1065-F1090 HydrophobicContact CD2-CD2 4.18Å; F1065-F1090 AromaticContact CD2-CE1 3.91Å; F1065-F1090 HydrophobicContact CD2-CE1 3.91Å; F1065-F1090 HydrophobicContact CD2-CE2 4.37Å; F1065-F1090 AromaticContact CD2-CG 3.82Å; F1065-F1090 HydrophobicContact CD2-CG 3.82Å; F1065-F1090 HydrophobicContact CD2-CZ 4.25Å; F1065-F1090 HydrophobicContact CE2-CB 4.2Å; F1065-F1090 HydrophobicContact CE2-CD1 4.27Å; F1065-F1090 HydrophobicContact CE2-CG 4.1Å; F1065-F1090 AromaticContact CG-CD1 3.85Å; F1065-F1090 HydrophobicContact CG-CD1 3.85Å; F1065-F1090 AromaticContact CG-CE1 3.9Å; F1065-F1090 HydrophobicContact CG-CE1 3.9Å; F1065-F1090 HydrophobicContact CG-CG 4.45Å; I1086-F1090 WeakPolarHBondContact O-CB 3.43Å; I1086-F1090 PolarHBondContact O-N 2.86Å; F1090-S1092 VanDerWaalsContact C-N 3.29Å; F1090-S1092 PolarHBondContact O-N 3.03Å; F1090-Y1093 WeakPolarHBondContact O-CB 3.46Å; F1090-Y1093 PolarHBondContact O-N 2.9Å; F1090-C1094 PolarHBondContact O-N 2.84Å; F1090-C1094 PolarHBondContact O-SG 3.02Å; F1090-C1094 VanDerWaalsContact O-SG 3.38Å
1091	K	80.3	Confident	76.7	Confident	125 Å²	125	42 Å²	42	54%	0.543	23%	0.23	S	C	.	.	H	α-helix	trans	-63.8	-33.6	175.1	-170.5	167.1	-175.9	170.8	0	112.6	G1087 I1089 N1095	G1087-K1091 WeakPolarHBondContact O-CB 3.4Å; G1087-K1091 PolarHBondContact O-N 3.46Å; G1087-K1091 VanDerWaalsContact O-N 3.14Å; I1089-K1091 PolarHBondContact O-N 3Å; K1091-N1095 PolarHBondContact O-N 3.14Å; K1091-N1095 PolarHBondContact O-ND2 3.1Å
1092	S	81	Confident	75.9	Confident	37 Å²	37	45.3 Å²	45.3	26%	0.259	24%	0.241	S	C	.	.	H	α-helix	trans	-67.1	-45.5	172.4	-179.2	0	0	0	0	111.7	R1088 I1089 F1090 N1095 T1096 W1112 S1116	R1088-S1092 WeakPolarHBondContact O-CB 3.07Å; R1088-S1092 PolarHBondContact O-N 3.44Å; I1089-S1092 CarbonylContact O-C 3.49Å; I1089-S1092 WeakPolarHBondContact O-CA 3.36Å; I1089-S1092 WeakPolarHBondContact O-CB 3.35Å; I1089-S1092 PolarHBondContact O-N 3.38Å; F1090-S1092 VanDerWaalsContact C-N 3.29Å; F1090-S1092 PolarHBondContact O-N 3.03Å; S1092-N1095 PolarHBondContact O-N 3.06Å; S1092-T1096 VanDerWaalsContact O-CB 3.26Å; S1092-T1096 WeakPolarHBondContact O-CB 3.49Å; S1092-T1096 PolarHBondContact O-N 2.99Å; S1092-T1096 VanDerWaalsContact O-N 3.09Å; S1092-T1096 PolarHBondContact O-OG1 2.91Å; S1092-W1112 PolarHBondContact OG-NE1 2.81Å; S1092-S1116 PolarHBondContact OG-OG 2.83Å
1093	Y	80.7	Confident	75.2	Confident	21 Å²	21	48.3 Å²	48.3	8%	0.082	26%	0.258	C	S	.	.	H	α-helix	trans	-54.3	-60.4	175.9	174.1	-95.3	0	0	0	110.6	M201 I1089 F1090 N1095 T1096 T1097 F1105 V1109 W1112	M201-Y1093 HydrophobicContact CG-CE1 4.45Å; M201-Y1093 HydrophobicContact SD-CE1 4.42Å; I1089-Y1093 PolarHBondContact O-N 3.24Å; F1090-Y1093 WeakPolarHBondContact O-CB 3.46Å; F1090-Y1093 PolarHBondContact O-N 2.9Å; Y1093-N1095 VanDerWaalsContact C-N 3.28Å; Y1093-N1095 PolarHBondContact O-N 3.2Å; Y1093-N1095 VanDerWaalsContact O-N 3.16Å; Y1093-T1096 PolarHBondContact O-N 3.21Å; Y1093-T1097 HydrophobicContact CD2-CG2 3.93Å; Y1093-T1097 VanDerWaalsContact CD2-OG1 3.23Å; Y1093-T1097 WeakPolarHBondContact CD2-OG1 3.45Å; Y1093-T1097 HydrophobicContact CE2-CG2 4.18Å; Y1093-T1097 WeakPolarHBondContact CE2-OG1 3.45Å; Y1093-T1097 PolarHBondContact O-N 2.87Å; Y1093-T1097 PolarHBondContact O-OG1 3.38Å; Y1093-F1105 WeakPolarHBondContact OH-CZ 3.26Å; Y1093-V1109 HydrophobicContact CE2-CG2 4.09Å; Y1093-W1112 HydrophobicContact CD2-CD2 4.33Å; Y1093-W1112 AromaticContact CD2-CE3 3.99Å; Y1093-W1112 HydrophobicContact CD2-CE3 3.99Å; Y1093-W1112 HydrophobicContact CD2-CH2 4.18Å; Y1093-W1112 AromaticContact CD2-CZ3 3.9Å; Y1093-W1112 HydrophobicContact CD2-CZ3 3.9Å
1094	C	78.8	Confident	74.3	Confident	13 Å²	13	51 Å²	51	9%	0.088	27%	0.27	C	S	.	.	H	α-helix	trans	-52.7	-43.7	-178.5	-65.1	0	0	0	0	112.8	I1052 F1090 T1096	I1052-C1094 HydrophobicContact CD1-CB 4.49Å; I1052-C1094 WeakPolarHBondContact CD1-O 3.14Å; F1090-C1094 PolarHBondContact O-N 2.84Å; F1090-C1094 PolarHBondContact O-SG 3.02Å; F1090-C1094 VanDerWaalsContact O-SG 3.38Å; C1094-T1096 VanDerWaalsContact C-N 3.33Å; C1094-T1096 PolarHBondContact O-N 3.07Å
1095	N	73.5	Confident	73.8	Confident	67 Å²	67	51.9 Å²	51.9	36%	0.358	27%	0.272	S	S	.	.	H	α-helix	trans	-76.6	-15	-178.8	-71.6	-63.4	0	0	0	114.3	N1058 K1091 S1092 Y1093	N1058-N1095 PolarHBondContact ND2-OD1 3.48Å; K1091-N1095 PolarHBondContact O-N 3.14Å; K1091-N1095 PolarHBondContact O-ND2 3.1Å; S1092-N1095 PolarHBondContact O-N 3.06Å; Y1093-N1095 VanDerWaalsContact C-N 3.28Å; Y1093-N1095 PolarHBondContact O-N 3.2Å; Y1093-N1095 VanDerWaalsContact O-N 3.16Å
1096	T	72.6	Confident	73.3	Confident	78 Å²	78	51.2 Å²	51.2	48%	0.479	27%	0.269	S	S	.	.	H	α-helix	trans	-113.4	-41.7	-171.8	-47.4	0	0	0	0	113.7	S1092 Y1093 C1094 I1098 W1112	S1092-T1096 VanDerWaalsContact O-CB 3.26Å; S1092-T1096 WeakPolarHBondContact O-CB 3.49Å; S1092-T1096 PolarHBondContact O-N 2.99Å; S1092-T1096 VanDerWaalsContact O-N 3.09Å; S1092-T1096 PolarHBondContact O-OG1 2.91Å; Y1093-T1096 PolarHBondContact O-N 3.21Å; C1094-T1096 VanDerWaalsContact C-N 3.33Å; C1094-T1096 PolarHBondContact O-N 3.07Å; T1096-I1098 PolarHBondContact O-N 3.23Å; T1096-W1112 HydrophobicContact CG2-CB 4.41Å; T1096-W1112 HydrophobicContact CG2-CG 4.48Å
1097	T	67.6	Low	72.9	Confident	11 Å²	11	57.6 Å²	57.6	7%	0.067	29%	0.291	C	S	.	.			trans	-95.2	69	-169.9	60	0	0	0	0	111.7	Y1093 V1109 W1112	Y1093-T1097 HydrophobicContact CD2-CG2 3.93Å; Y1093-T1097 VanDerWaalsContact CD2-OG1 3.23Å; Y1093-T1097 WeakPolarHBondContact CD2-OG1 3.45Å; Y1093-T1097 HydrophobicContact CE2-CG2 4.18Å; Y1093-T1097 WeakPolarHBondContact CE2-OG1 3.45Å; Y1093-T1097 PolarHBondContact O-N 2.87Å; Y1093-T1097 PolarHBondContact O-OG1 3.38Å; T1097-V1109 HydrophobicContact CG2-CG2 3.98Å; T1097-W1112 HydrophobicContact CG2-CB 3.58Å; T1097-W1112 HydrophobicContact CG2-CD2 4.08Å; T1097-W1112 HydrophobicContact CG2-CE3 4.41Å; T1097-W1112 HydrophobicContact CG2-CG 3.69Å
1098	I	63.2	Low	72.6	Confident	46 Å²	46	58 Å²	58	24%	0.236	29%	0.29	C	S	.	.			trans	-118.2	137.3	-178.3	-51.5	165.9	0	0	0	108.2	R1050 I1052 T1096	R1050-I1098 WeakPolarHBondContact O-CD1 3.16Å; I1052-I1098 HydrophobicContact CD1-CD1 3.88Å; I1052-I1098 HydrophobicContact CG1-CD1 3.47Å; I1052-I1098 VanDerWaalsContact CG1-CD1 3.47Å; T1096-I1098 PolarHBondContact O-N 3.23Å
1099	S	62.1	Low	72.5	Confident	36 Å²	36	54.2 Å²	54.2	25%	0.252	28%	0.278	S	S	.	.			trans	-151.5	142.8	-165.9	-177.2	0	0	0	0	115.3	S1101 Q1104 F1105	S1099-S1101 PolarHBondContact OG-N 2.94Å; S1099-S1101 PolarHBondContact OG-O 3.34Å; S1099-Q1104 WeakPolarHBondContact OG-CB 3.26Å; S1099-F1105 PolarHBondContact OG-N 3.38Å
1100	S	63.3	Low	72.3	Confident	60 Å²	60	56.3 Å²	56.3	42%	0.42	29%	0.286	S	S	.	.	S	Bend	trans	-78.9	-13.7	168.2	8	0	0	0	0	114.4	S1048 Q1104	S1048-S1100 PolarHBondContact N-OG 3.25Å; S1048-S1100 VanDerWaalsContact N-OG 3.08Å; S1100-Q1104 PolarHBondContact OG-OE1 2.68Å
1101	S	57.1	Low	72.1	Confident	52 Å²	52	57.7 Å²	57.7	36%	0.364	31%	0.305	S	S	.	.	S	Bend	trans	-152.8	162.1	-178.5	76.5	0	0	0	0	114.6	S1099 D1103 Q1104 F1105	S1099-S1101 PolarHBondContact OG-N 2.94Å; S1099-S1101 PolarHBondContact OG-O 3.34Å; S1101-D1103 VanDerWaalsContact C-N 3.33Å; S1101-D1103 PolarHBondContact O-N 2.87Å; S1101-Q1104 PolarHBondContact O-N 3.39Å; S1101-Q1104 PolarHBondContact OG-N 2.9Å; S1101-F1105 WeakPolarHBondContact O-CB 3.32Å; S1101-F1105 PolarHBondContact O-N 3.02Å
1102	R	66.8	Low	72.5	Confident	98 Å²	98	52.9 Å²	52.9	37%	0.37	28%	0.283	S	S	.	.	H	α-helix	trans	-54.2	-47.2	175.2	-175.7	86.9	92.8	173.6	3.6	111.7	H920 D924 Q1104 F1105 I1106	H920-R1102 PolarHBondContact O-NH2 3.48Å; D924-R1102 IonicContact OD1-NH2 2.66Å; D924-R1102 PolarHBondContact OD1-NH2 2.67Å; D924-R1102 IonicContact OD2-CZ 2.71Å; D924-R1102 IonicContact OD2-NE 2.72Å; D924-R1102 PolarHBondContact OD2-NE 3.47Å; D924-R1102 IonicContact OD2-NH2 3.67Å; D924-R1102 PolarHBondContact OD2-NH2 3.15Å; R1102-Q1104 PolarHBondContact O-N 3.15Å; R1102-F1105 WeakPolarHBondContact O-CB 3.33Å; R1102-F1105 PolarHBondContact O-N 3.13Å; R1102-I1106 HydrophobicContact CG-CD1 3.87Å; R1102-I1106 WeakPolarHBondContact O-CG1 3.29Å; R1102-I1106 PolarHBondContact O-N 2.87Å
1103	D	68.4	Low	72.5	Confident	97 Å²	97	52.9 Å²	52.9	52%	0.519	28%	0.28	S	S	.	.	H	α-helix	trans	-71.3	-31.9	-176.9	-58.3	-42.8	0	0	0	113.6	S1101 R1107	S1101-D1103 VanDerWaalsContact C-N 3.33Å; S1101-D1103 PolarHBondContact O-N 2.87Å; D1103-R1107 WeakPolarHBondContact O-CB 3.37Å; D1103-R1107 WeakPolarHBondContact O-CG 3.08Å; D1103-R1107 PolarHBondContact O-N 2.73Å; D1103-R1107 PolarHBondContact O-NE 3.45Å
1104	Q	67.6	Low	72.4	Confident	70 Å²	70	57.3 Å²	57.3	33%	0.327	31%	0.305	S	S	.	.	H	α-helix	trans	-71	-37.4	171.5	-82.7	-178.9	-23.3	0	0	110.4	S1099 S1100 S1101 R1102 S1108	S1099-Q1104 WeakPolarHBondContact OG-CB 3.26Å; S1100-Q1104 PolarHBondContact OG-OE1 2.68Å; S1101-Q1104 PolarHBondContact O-N 3.39Å; S1101-Q1104 PolarHBondContact OG-N 2.9Å; R1102-Q1104 PolarHBondContact O-N 3.15Å; Q1104-S1108 WeakPolarHBondContact O-CB 3.14Å; Q1104-S1108 PolarHBondContact O-N 2.84Å; Q1104-S1108 PolarHBondContact O-OG 3.3Å
1105	F	75.3	Confident	72.4	Confident	49 Å²	49	59.3 Å²	59.3	22%	0.215	32%	0.323	C	S	.	.	H	α-helix	trans	-64	-55.9	178.2	175.2	-106.2	0	0	0	110.4	Y1093 S1099 S1101 R1102 R1107 S1108 V1109	Y1093-F1105 WeakPolarHBondContact OH-CZ 3.26Å; S1099-F1105 PolarHBondContact OG-N 3.38Å; S1101-F1105 WeakPolarHBondContact O-CB 3.32Å; S1101-F1105 PolarHBondContact O-N 3.02Å; R1102-F1105 WeakPolarHBondContact O-CB 3.33Å; R1102-F1105 PolarHBondContact O-N 3.13Å; F1105-R1107 VanDerWaalsContact C-N 3.28Å; F1105-R1107 PolarHBondContact O-N 3.37Å; F1105-S1108 PolarHBondContact O-N 3.06Å; F1105-S1108 PolarHBondContact O-OG 3.43Å; F1105-V1109 HydrophobicContact CD1-CG2 4.37Å; F1105-V1109 HydrophobicContact CD2-CG2 4.04Å; F1105-V1109 HydrophobicContact CE1-CG2 4.04Å; F1105-V1109 HydrophobicContact CE2-CG2 3.67Å; F1105-V1109 HydrophobicContact CG-CG2 4.38Å; F1105-V1109 HydrophobicContact CZ-CG2 3.68Å; F1105-V1109 WeakPolarHBondContact O-CG2 3.39Å; F1105-V1109 PolarHBondContact O-N 2.95Å
1106	I	72.1	Confident	72.5	Confident	23 Å²	23	57.4 Å²	57.4	12%	0.118	31%	0.314	C	S	.	.	H	α-helix	trans	-56.6	-41.9	179.8	-67.4	173.7	0	0	0	111.1	R1102 Y1110	R1102-I1106 HydrophobicContact CG-CD1 3.87Å; R1102-I1106 WeakPolarHBondContact O-CG1 3.29Å; R1102-I1106 PolarHBondContact O-N 2.87Å; I1106-Y1110 HydrophobicContact CG2-CD2 3.76Å; I1106-Y1110 HydrophobicContact CG2-CE2 3.41Å; I1106-Y1110 VanDerWaalsContact CG2-CE2 3.41Å; I1106-Y1110 WeakPolarHBondContact O-CD2 3.42Å; I1106-Y1110 PolarHBondContact O-N 3.42Å
1107	R	74.5	Confident	72.7	Confident	169 Å²	169	55.4 Å²	55.4	64%	0.638	30%	0.304	S	S	*	.	H	α-helix	trans	-67.6	-40.3	175.4	-78.5	179.3	-79	176.6	-11	113.3	D1103 F1105 G1111	D1103-R1107 WeakPolarHBondContact O-CB 3.37Å; D1103-R1107 WeakPolarHBondContact O-CG 3.08Å; D1103-R1107 PolarHBondContact O-N 2.73Å; D1103-R1107 PolarHBondContact O-NE 3.45Å; F1105-R1107 VanDerWaalsContact C-N 3.28Å; F1105-R1107 PolarHBondContact O-N 3.37Å; R1107-G1111 PolarHBondContact O-N 3.39Å
1108	S	76.2	Confident	73.3	Confident	32 Å²	32	56.7 Å²	56.7	22%	0.224	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-39.1	176.3	71.7	0	0	0	0	111.8	Q1104 F1105 W1112	Q1104-S1108 WeakPolarHBondContact O-CB 3.14Å; Q1104-S1108 PolarHBondContact O-N 2.84Å; Q1104-S1108 PolarHBondContact O-OG 3.3Å; F1105-S1108 PolarHBondContact O-N 3.06Å; F1105-S1108 PolarHBondContact O-OG 3.43Å; S1108-W1112 WeakPolarHBondContact O-CB 3.3Å; S1108-W1112 PolarHBondContact O-N 3.14Å
1109	V	77.5	Confident	74	Confident	22 Å²	22	60 Å²	60	13%	0.133	33%	0.331	C	S	.	.	H	α-helix	trans	-66.5	-44.7	177.4	173.1	0	0	0	0	111.2	Y1093 T1097 F1105 W1112 L1113	Y1093-V1109 HydrophobicContact CE2-CG2 4.09Å; T1097-V1109 HydrophobicContact CG2-CG2 3.98Å; F1105-V1109 HydrophobicContact CD1-CG2 4.37Å; F1105-V1109 HydrophobicContact CD2-CG2 4.04Å; F1105-V1109 HydrophobicContact CE1-CG2 4.04Å; F1105-V1109 HydrophobicContact CE2-CG2 3.67Å; F1105-V1109 HydrophobicContact CG-CG2 4.38Å; F1105-V1109 HydrophobicContact CZ-CG2 3.68Å; F1105-V1109 WeakPolarHBondContact O-CG2 3.39Å; F1105-V1109 PolarHBondContact O-N 2.95Å; V1109-W1112 PolarHBondContact O-N 2.91Å; V1109-L1113 VanDerWaalsContact O-CB 3.22Å; V1109-L1113 WeakPolarHBondContact O-CB 3.32Å; V1109-L1113 PolarHBondContact O-N 2.75Å
1110	Y	77.9	Confident	74.9	Confident	60 Å²	60	63.2 Å²	63.2	24%	0.235	35%	0.348	C	S	.	.	H	α-helix	trans	-63.4	-47.6	174.8	-75.3	-56.2	0	0	0	112.5	R914 L917 I1106 W1112 L1113 D1114	R914-Y1110 WeakPolarHBondContact CA-OH 3.44Å; R914-Y1110 HydrophobicContact CG-CE1 3.83Å; R914-Y1110 WeakPolarHBondContact CG-OH 3.34Å; L917-Y1110 HydrophobicContact CD1-CE1 4.15Å; L917-Y1110 HydrophobicContact CD1-CE2 4.47Å; L917-Y1110 WeakPolarHBondContact CD1-OH 3.22Å; I1106-Y1110 HydrophobicContact CG2-CD2 3.76Å; I1106-Y1110 HydrophobicContact CG2-CE2 3.41Å; I1106-Y1110 VanDerWaalsContact CG2-CE2 3.41Å; I1106-Y1110 WeakPolarHBondContact O-CD2 3.42Å; I1106-Y1110 PolarHBondContact O-N 3.42Å; Y1110-W1112 VanDerWaalsContact C-N 3.3Å; Y1110-W1112 PolarHBondContact O-N 2.79Å; Y1110-L1113 PolarHBondContact O-N 2.94Å; Y1110-D1114 PolarHBondContact O-N 2.71Å
1111	G	78.9	Confident	75.4	Confident	46 Å²	46	65.6 Å²	65.6	47%	0.474	35%	0.353	S	S	.	.	H	α-helix	trans	-62.8	-36.5	178.5	0	0	0	0	0	112.9	R1107 A1115	R1107-G1111 PolarHBondContact O-N 3.39Å; G1111-A1115 WeakPolarHBondContact O-CB 3.26Å; G1111-A1115 PolarHBondContact O-N 3.48Å
1112	W	86.9	Confident	76.5	Confident	23 Å²	23	65.6 Å²	65.6	9%	0.087	35%	0.349	C	S	.	.	H	α-helix	trans	-69.5	-39	173.4	170.8	85.5	0	0	0	112.5	I1089 S1092 Y1093 T1096 T1097 S1108 V1109 Y1110 A1115 S1116	I1089-W1112 HydrophobicContact CG2-CH2 3.51Å; I1089-W1112 HydrophobicContact CG2-CZ2 3.57Å; I1089-W1112 WeakPolarHBondContact O-CZ2 3.42Å; S1092-W1112 PolarHBondContact OG-NE1 2.81Å; Y1093-W1112 HydrophobicContact CD2-CD2 4.33Å; Y1093-W1112 AromaticContact CD2-CE3 3.99Å; Y1093-W1112 HydrophobicContact CD2-CE3 3.99Å; Y1093-W1112 HydrophobicContact CD2-CH2 4.18Å; Y1093-W1112 AromaticContact CD2-CZ3 3.9Å; Y1093-W1112 HydrophobicContact CD2-CZ3 3.9Å; T1096-W1112 HydrophobicContact CG2-CB 4.41Å; T1096-W1112 HydrophobicContact CG2-CG 4.48Å; T1097-W1112 HydrophobicContact CG2-CB 3.58Å; T1097-W1112 HydrophobicContact CG2-CD2 4.08Å; T1097-W1112 HydrophobicContact CG2-CE3 4.41Å; T1097-W1112 HydrophobicContact CG2-CG 3.69Å; S1108-W1112 WeakPolarHBondContact O-CB 3.3Å; S1108-W1112 PolarHBondContact O-N 3.14Å; V1109-W1112 PolarHBondContact O-N 2.91Å; Y1110-W1112 VanDerWaalsContact C-N 3.3Å; Y1110-W1112 PolarHBondContact O-N 2.79Å; W1112-A1115 PolarHBondContact O-N 2.89Å; W1112-S1116 PolarHBondContact NE1-OG 3.5Å; W1112-S1116 VanDerWaalsContact NE1-OG 3.13Å; W1112-S1116 VanDerWaalsContact O-CB 3.22Å; W1112-S1116 WeakPolarHBondContact O-CB 3.33Å; W1112-S1116 PolarHBondContact O-N 3.35Å; W1112-S1116 PolarHBondContact O-OG 3.16Å
1113	L	82.8	Confident	77.1	Confident	37 Å²	37	67.7 Å²	67.7	19%	0.194	36%	0.356	C	S	.	.	H	α-helix	trans	-64.9	-49	179.3	-174.6	74.4	0	0	0	111	L910 V1109 Y1110 A1115 C1117	L910-L1113 HydrophobicContact CD2-CD2 4.09Å; V1109-L1113 VanDerWaalsContact O-CB 3.22Å; V1109-L1113 WeakPolarHBondContact O-CB 3.32Å; V1109-L1113 PolarHBondContact O-N 2.75Å; Y1110-L1113 PolarHBondContact O-N 2.94Å; L1113-A1115 VanDerWaalsContact C-N 3.26Å; L1113-A1115 PolarHBondContact O-N 3.29Å; L1113-C1117 HydrophobicContact CD1-CB 3.81Å; L1113-C1117 HydrophobicContact CG-CB 4.44Å; L1113-C1117 WeakPolarHBondContact O-CA 3.38Å; L1113-C1117 WeakPolarHBondContact O-CB 3.46Å; L1113-C1117 PolarHBondContact O-N 2.94Å
1114	D	77.6	Confident	77.8	Confident	114 Å²	114	66.6 Å²	66.6	61%	0.61	36%	0.355	S	S	*	.	H	α-helix	trans	-63.6	-32.5	178.6	-72.2	-23.6	0	0	0	111.8	Y1110	Y1110-D1114 PolarHBondContact O-N 2.71Å
1115	A	79.8	Confident	78.3	Confident	55 Å²	55	63.8 Å²	63.8	46%	0.455	34%	0.343	S	S	.	.	H	α-helix	trans	-77.3	-56.7	175.7	0	0	0	0	0	113	G1111 W1112 L1113 S1118 Q1121	G1111-A1115 WeakPolarHBondContact O-CB 3.26Å; G1111-A1115 PolarHBondContact O-N 3.48Å; W1112-A1115 PolarHBondContact O-N 2.89Å; L1113-A1115 VanDerWaalsContact C-N 3.26Å; L1113-A1115 PolarHBondContact O-N 3.29Å; A1115-S1118 PolarHBondContact O-OG 3.02Å; A1115-Q1121 VanDerWaalsContact O-CG 3.32Å; A1115-Q1121 WeakPolarHBondContact O-CG 3.45Å
1116	S	74.3	Confident	78.7	Confident	27 Å²	27	64.3 Å²	64.3	19%	0.189	35%	0.35	C	S	.	.	H	α-helix	trans	-88.6	-29.9	-165.4	-57.4	0	0	0	0	114.4	S1092 W1112 Q1121	S1092-S1116 PolarHBondContact OG-OG 2.83Å; W1112-S1116 PolarHBondContact NE1-OG 3.5Å; W1112-S1116 VanDerWaalsContact NE1-OG 3.13Å; W1112-S1116 VanDerWaalsContact O-CB 3.22Å; W1112-S1116 WeakPolarHBondContact O-CB 3.33Å; W1112-S1116 PolarHBondContact O-N 3.35Å; W1112-S1116 PolarHBondContact O-OG 3.16Å; S1116-Q1121 VanDerWaalsContact O-CB 3.31Å; S1116-Q1121 WeakPolarHBondContact O-CB 3.22Å
1117	C	76.6	Confident	79.3	Confident	37 Å²	37	68.7 Å²	68.7	25%	0.25	37%	0.372	C	S	.	.	S	Bend	trans	-100.3	11.9	-179.3	-63.5	0	0	0	0	112.8	L1113 L1122	L1113-C1117 HydrophobicContact CD1-CB 3.81Å; L1113-C1117 HydrophobicContact CG-CB 4.44Å; L1113-C1117 WeakPolarHBondContact O-CA 3.38Å; L1113-C1117 WeakPolarHBondContact O-CB 3.46Å; L1113-C1117 PolarHBondContact O-N 2.94Å; C1117-L1122 WeakPolarHBondContact O-CD1 3.4Å
1118	S	80.6	Confident	79.7	Confident	38 Å²	38	65.4 Å²	65.4	27%	0.266	36%	0.364	S	S	.	.	S	Bend	trans	-65.1	148.3	172.4	66.6	0	0	0	0	111.6	A1115 V1120 Q1121 L1122	A1115-S1118 PolarHBondContact O-OG 3.02Å; S1118-V1120 PolarHBondContact O-N 3.23Å; S1118-Q1121 PolarHBondContact O-N 3.38Å; S1118-L1122 PolarHBondContact O-N 2.89Å
1119	L	77.7	Confident	80	Confident	116 Å²	116	64.1 Å²	64.1	61%	0.607	36%	0.355	S	S	*	.	H	α-helix	trans	-56.9	-22.2	179.4	-174	63.2	0	0	0	113.4	R1123	L1119-R1123 WeakPolarHBondContact O-CB 3.45Å; L1119-R1123 PolarHBondContact O-N 3.44Å
1120	V	80.6	Confident	80.3	Confident	102 Å²	102	67.5 Å²	67.5	62%	0.618	37%	0.372	S	S	*	.	H	α-helix	trans	-70.3	-37.6	175.1	-177.2	0	0	0	0	111.7	S1118 P1124	S1118-V1120 PolarHBondContact O-N 3.23Å; V1120-P1124 WeakPolarHBondContact O-CD 3.03Å
1121	Q	74	Confident	80.7	Confident	110 Å²	110	67.9 Å²	67.9	51%	0.514	38%	0.382	S	S	.	.	H	α-helix	trans	-83	-37.3	176.1	-60.3	-64	-2.6	0	0	112.5	A1115 S1116 S1118 R1123 P1124 A1125	A1115-Q1121 VanDerWaalsContact O-CG 3.32Å; A1115-Q1121 WeakPolarHBondContact O-CG 3.45Å; S1116-Q1121 VanDerWaalsContact O-CB 3.31Å; S1116-Q1121 WeakPolarHBondContact O-CB 3.22Å; S1118-Q1121 PolarHBondContact O-N 3.38Å; Q1121-R1123 PolarHBondContact O-N 3.45Å; Q1121-P1124 WeakPolarHBondContact O-CD 3.38Å; Q1121-A1125 PolarHBondContact O-N 3.47Å
1122	L	80.1	Confident	80.9	Confident	53 Å²	53	67.7 Å²	67.7	28%	0.277	37%	0.372	S	S	.	.	H	α-helix	trans	-64.6	-37.6	-179.6	-66	179.6	0	0	0	112.6	I1089 C1117 S1118 A1125 V1126	I1089-L1122 HydrophobicContact CD1-CD2 3.47Å; I1089-L1122 VanDerWaalsContact CD1-CD2 3.47Å; C1117-L1122 WeakPolarHBondContact O-CD1 3.4Å; S1118-L1122 PolarHBondContact O-N 2.89Å; L1122-A1125 PolarHBondContact O-N 2.94Å; L1122-A1125 VanDerWaalsContact O-N 3.14Å; L1122-V1126 WeakPolarHBondContact O-CG2 3.3Å; L1122-V1126 PolarHBondContact O-N 3.43Å
1123	R	80.9	Confident	80.8	Confident	142 Å²	142	67.1 Å²	67.1	54%	0.536	37%	0.37	S	S	.	.	H	α-helix	trans	-62	-48.3	-177.4	-175.4	-168	-56.3	107.1	-2.2	112.9	L1119 Q1121 M1127	L1119-R1123 WeakPolarHBondContact O-CB 3.45Å; L1119-R1123 PolarHBondContact O-N 3.44Å; Q1121-R1123 PolarHBondContact O-N 3.45Å; R1123-M1127 PolarHBondContact O-N 3.09Å; R1123-M1127 VanDerWaalsContact O-N 3.11Å
1124	P	82.7	Confident	80.8	Confident	74 Å²	74	66.7 Å²	66.7	48%	0.481	38%	0.375	S	S	.	.	H	α-helix	trans	-58	-42.2	167.8	-26.8	34.4	0	0	0	113.8	V1120 Q1121 V1126 M1127 Q1128	V1120-P1124 WeakPolarHBondContact O-CD 3.03Å; Q1121-P1124 WeakPolarHBondContact O-CD 3.38Å; P1124-V1126 PolarHBondContact O-N 3.41Å; P1124-M1127 PolarHBondContact O-N 2.95Å; P1124-Q1128 WeakPolarHBondContact O-CB 3.28Å; P1124-Q1128 PolarHBondContact O-N 3.25Å
1125	A	78.2	Confident	81.1	Confident	11 Å²	11	69.9 Å²	69.9	9%	0.091	38%	0.384	C	S	.	.	H	α-helix	trans	-63.2	-43.5	-178.3	0	0	0	0	0	112.5	Q1121 L1122 Q1128 A1129	Q1121-A1125 PolarHBondContact O-N 3.47Å; L1122-A1125 PolarHBondContact O-N 2.94Å; L1122-A1125 VanDerWaalsContact O-N 3.14Å; A1125-Q1128 PolarHBondContact O-N 3.15Å; A1125-A1129 WeakPolarHBondContact O-CB 3.44Å; A1125-A1129 PolarHBondContact O-N 3.37Å
1126	V	83.2	Confident	81.2	Confident	59 Å²	59	70.2 Å²	70.2	36%	0.358	38%	0.38	S	S	.	.	H	α-helix	trans	-64.7	-46.2	174.9	173.6	0	0	0	0	111.1	I1085 L1122 P1124 Q1128 A1129 L1130	I1085-V1126 HydrophobicContact CD1-CG2 4.14Å; I1085-V1126 HydrophobicContact CG1-CG2 4.35Å; I1085-V1126 HydrophobicContact CG2-CG2 4.08Å; L1122-V1126 WeakPolarHBondContact O-CG2 3.3Å; L1122-V1126 PolarHBondContact O-N 3.43Å; P1124-V1126 PolarHBondContact O-N 3.41Å; V1126-Q1128 VanDerWaalsContact C-N 3.32Å; V1126-Q1128 PolarHBondContact O-N 3.46Å; V1126-A1129 WeakPolarHBondContact O-CB 3.49Å; V1126-A1129 PolarHBondContact O-N 2.92Å; V1126-L1130 HydrophobicContact CG1-CD1 4.21Å; V1126-L1130 WeakPolarHBondContact O-CG 3.45Å; V1126-L1130 PolarHBondContact O-N 3.11Å
1127	M	83.6	Confident	81.6	Confident	116 Å²	116	69.5 Å²	69.5	57%	0.571	37%	0.374	S	S	*	.	H	α-helix	trans	-61.3	-42	177.4	-173.2	56.9	63.9	0	0	111.4	R1123 P1124 L1130 C1131	R1123-M1127 PolarHBondContact O-N 3.09Å; R1123-M1127 VanDerWaalsContact O-N 3.11Å; P1124-M1127 PolarHBondContact O-N 2.95Å; M1127-L1130 PolarHBondContact O-N 3.24Å; M1127-C1131 PolarHBondContact O-N 3.48Å; M1127-C1131 PolarHBondContact O-SG 2.82Å
1128	Q	83.3	Confident	81.9	Confident	100 Å²	100	69 Å²	69	47%	0.467	37%	0.371	S	S	.	.	H	α-helix	trans	-68	-34.9	176.8	-162.1	175.8	19.8	0	0	112.2	R1088 P1124 A1125 V1126 C1131 T1132	R1088-Q1128 VanDerWaalsContact NE-OE1 3.08Å; P1124-Q1128 WeakPolarHBondContact O-CB 3.28Å; P1124-Q1128 PolarHBondContact O-N 3.25Å; A1125-Q1128 PolarHBondContact O-N 3.15Å; V1126-Q1128 VanDerWaalsContact C-N 3.32Å; V1126-Q1128 PolarHBondContact O-N 3.46Å; Q1128-C1131 PolarHBondContact O-N 3.43Å; Q1128-T1132 PolarHBondContact O-N 3.24Å; Q1128-T1132 PolarHBondContact O-OG1 2.99Å
1129	A	83.3	Confident	81.9	Confident	4 Å²	4	68.9 Å²	68.9	3%	0.033	37%	0.369	C	S	.	.	H	α-helix	trans	-63.9	-44.7	172.6	0	0	0	0	0	111.9	L1084 I1085 A1125 V1126 C1131 T1132 L1133	L1084-A1129 HydrophobicContact CB-CB 3.75Å; I1085-A1129 HydrophobicContact CG1-CB 3.63Å; A1125-A1129 WeakPolarHBondContact O-CB 3.44Å; A1125-A1129 PolarHBondContact O-N 3.37Å; V1126-A1129 WeakPolarHBondContact O-CB 3.49Å; V1126-A1129 PolarHBondContact O-N 2.92Å; A1129-C1131 PolarHBondContact O-N 3.45Å; A1129-T1132 PolarHBondContact O-N 3.02Å; A1129-L1133 WeakPolarHBondContact O-CB 3.49Å; A1129-L1133 PolarHBondContact O-N 3.28Å
1130	L	83.7	Confident	81.8	Confident	94 Å²	94	70.5 Å²	70.5	49%	0.492	38%	0.377	S	S	.	.	H	α-helix	trans	-62.3	-41.3	173.9	-68.2	171.2	0	0	0	111.9	V1126 M1127 T1132 L1133 G1134	V1126-L1130 HydrophobicContact CG1-CD1 4.21Å; V1126-L1130 WeakPolarHBondContact O-CG 3.45Å; V1126-L1130 PolarHBondContact O-N 3.11Å; M1127-L1130 PolarHBondContact O-N 3.24Å; L1130-T1132 VanDerWaalsContact C-N 3.33Å; L1130-T1132 PolarHBondContact O-N 3.38Å; L1130-L1133 PolarHBondContact O-N 3.04Å; L1130-G1134 PolarHBondContact O-N 3.22Å
1131	C	85.1	Confident	81.6	Confident	68 Å²	68	73.5 Å²	73.5	46%	0.459	39%	0.385	S	S	.	.	H	α-helix	trans	-66.5	-30.2	173.6	-68.1	0	0	0	0	113.5	M1127 Q1128 A1129 K1135	M1127-C1131 PolarHBondContact O-N 3.48Å; M1127-C1131 PolarHBondContact O-SG 2.82Å; Q1128-C1131 PolarHBondContact O-N 3.43Å; A1129-C1131 PolarHBondContact O-N 3.45Å; C1131-K1135 WeakPolarHBondContact O-CD 3.49Å; C1131-K1135 VanDerWaalsContact O-CG 3.25Å; C1131-K1135 WeakPolarHBondContact O-CG 3.41Å
1132	T	84	Confident	81.9	Confident	42 Å²	42	72.1 Å²	72.1	26%	0.258	38%	0.378	S	S	.	.	H	α-helix	trans	-70.6	-47.8	170.8	-67.3	0	0	0	0	110.1	L1084 Q1128 A1129 L1130 G1134 K1135 T1136	L1084-T1132 HydrophobicContact CD1-CG2 4.33Å; L1084-T1132 HydrophobicContact CD2-CG2 3.96Å; Q1128-T1132 PolarHBondContact O-N 3.24Å; Q1128-T1132 PolarHBondContact O-OG1 2.99Å; A1129-T1132 PolarHBondContact O-N 3.02Å; L1130-T1132 VanDerWaalsContact C-N 3.33Å; L1130-T1132 PolarHBondContact O-N 3.38Å; T1132-G1134 PolarHBondContact O-N 3.1Å; T1132-K1135 WeakPolarHBondContact O-CA 3.49Å; T1132-K1135 PolarHBondContact O-N 2.68Å; T1132-T1136 HydrophobicContact CG2-CG2 4.12Å; T1132-T1136 PolarHBondContact O-N 2.64Å; T1132-T1136 PolarHBondContact O-OG1 2.81Å; T1132-T1136 VanDerWaalsContact O-OG1 3.05Å
1133	L	84.9	Confident	81.8	Confident	10 Å²	10	73.3 Å²	73.3	5%	0.052	39%	0.389	C	S	.	.	H	α-helix	trans	-57	-48.1	179.5	-161.9	71.2	0	0	0	111.4	Y1080 I1081 L1084 A1129 L1130 K1135 T1136 T1137 L1146	Y1080-L1133 HydrophobicContact CD1-CD1 4.26Å; Y1080-L1133 HydrophobicContact CE1-CD1 4.09Å; I1081-L1133 HydrophobicContact CD1-CD2 4.06Å; I1081-L1133 HydrophobicContact CG1-CD1 4.19Å; I1081-L1133 HydrophobicContact CG1-CD2 4.12Å; L1084-L1133 HydrophobicContact CD1-CB 4.42Å; L1084-L1133 HydrophobicContact CD1-CD1 4.06Å; A1129-L1133 WeakPolarHBondContact O-CB 3.49Å; A1129-L1133 PolarHBondContact O-N 3.28Å; L1130-L1133 PolarHBondContact O-N 3.04Å; L1133-K1135 PolarHBondContact O-N 2.76Å; L1133-K1135 VanDerWaalsContact O-N 3.13Å; L1133-T1136 PolarHBondContact O-N 3.45Å; L1133-T1137 HydrophobicContact CD1-CG2 3.83Å; L1133-T1137 HydrophobicContact CG-CG2 4.31Å; L1133-T1137 WeakPolarHBondContact O-CB 3.46Å; L1133-T1137 PolarHBondContact O-N 3.13Å; L1133-T1137 PolarHBondContact O-OG1 3.04Å; L1133-L1146 HydrophobicContact CD1-CD1 4.06Å; L1133-L1146 HydrophobicContact CD2-CD1 4.32Å; L1133-L1146 HydrophobicContact CD2-CD2 4.5Å; L1133-L1146 HydrophobicContact CG-CD1 4.24Å
1134	G	82.4	Confident	81.7	Confident	28 Å²	28	73.7 Å²	73.7	29%	0.289	40%	0.402	S	S	.	.	H	α-helix	trans	-68.8	-2.5	175.9	0	0	0	0	0	115.7	L1130 T1132	L1130-G1134 PolarHBondContact O-N 3.22Å; T1132-G1134 PolarHBondContact O-N 3.1Å
1135	K	84.2	Confident	81.7	Confident	182 Å²	182	74 Å²	74	79%	0.791	40%	0.396	S	S	*	.	H	α-helix	trans	-108.7	-27.7	172.2	-74.1	176.7	-179	-174	0	113.3	C1131 T1132 L1133	C1131-K1135 WeakPolarHBondContact O-CD 3.49Å; C1131-K1135 VanDerWaalsContact O-CG 3.25Å; C1131-K1135 WeakPolarHBondContact O-CG 3.41Å; T1132-K1135 WeakPolarHBondContact O-CA 3.49Å; T1132-K1135 PolarHBondContact O-N 2.68Å; L1133-K1135 PolarHBondContact O-N 2.76Å; L1133-K1135 VanDerWaalsContact O-N 3.13Å
1136	T	81.8	Confident	81.8	Confident	61 Å²	61	74.3 Å²	74.3	37%	0.374	40%	0.395	S	S	.	.	H	α-helix	trans	-98.4	-22.5	-178.5	56.1	0	0	0	0	113.3	T1132 L1133	T1132-T1136 HydrophobicContact CG2-CG2 4.12Å; T1132-T1136 PolarHBondContact O-N 2.64Å; T1132-T1136 PolarHBondContact O-OG1 2.81Å; T1132-T1136 VanDerWaalsContact O-OG1 3.05Å; L1133-T1136 PolarHBondContact O-N 3.45Å
1137	T	83.2	Confident	81.7	Confident	12 Å²	12	73 Å²	73	7%	0.074	39%	0.388	C	S	.	.	S	Bend	trans	-118	155.8	179.9	70.2	0	0	0	0	110.8	L1133 V1139 L1146 Q1149 L1153	L1133-T1137 HydrophobicContact CD1-CG2 3.83Å; L1133-T1137 HydrophobicContact CG-CG2 4.31Å; L1133-T1137 WeakPolarHBondContact O-CB 3.46Å; L1133-T1137 PolarHBondContact O-N 3.13Å; L1133-T1137 PolarHBondContact O-OG1 3.04Å; T1137-V1139 PolarHBondContact O-N 3.19Å; T1137-V1139 WeakPolarHBondContact OG1-CB 3.5Å; T1137-V1139 VanDerWaalsContact OG1-CG1 3.29Å; T1137-V1139 WeakPolarHBondContact OG1-CG1 3.5Å; T1137-V1139 PolarHBondContact OG1-N 3.39Å; T1137-L1146 HydrophobicContact CG2-CD1 3.71Å; T1137-Q1149 VanDerWaalsContact CB-OE1 3.25Å; T1137-Q1149 HydrophobicContact CG2-CB 4.2Å; T1137-L1153 HydrophobicContact CG2-CD1 3.45Å; T1137-L1153 VanDerWaalsContact CG2-CD1 3.45Å
1138	S	82	Confident	81.5	Confident	26 Å²	26	73.9 Å²	73.9	18%	0.182	39%	0.391	C	S	.	.			trans	-82.3	24.8	170.9	65.4	0	0	0	0	113	L1140 Q1141 E1142 Q1149	S1138-L1140 PolarHBondContact O-N 2.61Å; S1138-Q1141 PolarHBondContact O-N 2.68Å; S1138-E1142 PolarHBondContact O-N 3.4Å; S1138-E1142 PolarHBondContact OG-OE2 2.95Å; S1138-Q1149 PolarHBondContact OG-NE2 2.77Å
1139	V	81.9	Confident	81.5	Confident	36 Å²	36	71.3 Å²	71.3	22%	0.218	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-30.3	-176.4	65.7	0	0	0	0	114.6	T1137 Q1141 L1146	T1137-V1139 PolarHBondContact O-N 3.19Å; T1137-V1139 WeakPolarHBondContact OG1-CB 3.5Å; T1137-V1139 VanDerWaalsContact OG1-CG1 3.29Å; T1137-V1139 WeakPolarHBondContact OG1-CG1 3.5Å; T1137-V1139 PolarHBondContact OG1-N 3.39Å; V1139-Q1141 VanDerWaalsContact C-N 3.28Å; V1139-Q1141 PolarHBondContact O-N 3.1Å; V1139-L1146 HydrophobicContact CB-CD1 4.24Å; V1139-L1146 HydrophobicContact CG2-CD1 4.42Å; V1139-L1146 HydrophobicContact CG2-CD2 3.92Å
1140	L	74.8	Confident	81.5	Confident	150 Å²	150	71.1 Å²	71.1	79%	0.785	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-10.6	177.8	-60.4	177.8	0	0	0	114.2	S1138	S1138-L1140 PolarHBondContact O-N 2.61Å
1141	Q	76.1	Confident	81.4	Confident	166 Å²	166	71.3 Å²	71.3	78%	0.776	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.4	-42.1	-177.8	-63.7	177.3	-11.2	0	0	111.7	S1138 V1139	S1138-Q1141 PolarHBondContact O-N 2.68Å; V1139-Q1141 VanDerWaalsContact C-N 3.28Å; V1139-Q1141 PolarHBondContact O-N 3.1Å
1142	E	79.7	Confident	81.2	Confident	81 Å²	81	71.3 Å²	71.3	38%	0.379	37%	0.372	S	S	.	.			trans	-139.9	68.3	-171.2	-58.8	-178.7	117.4	0	0	110.6	S1138 N1144 K1145	S1138-E1142 PolarHBondContact O-N 3.4Å; S1138-E1142 PolarHBondContact OG-OE2 2.95Å; E1142-N1144 PolarHBondContact O-N 3.11Å; E1142-K1145 HydrophobicContact CB-CD 4.28Å; E1142-K1145 HydrophobicContact CB-CG 4.31Å; E1142-K1145 VanDerWaalsContact CD-CE 3.5Å; E1142-K1145 PolarHBondContact O-N 3.44Å; E1142-K1145 VanDerWaalsContact OE1-CE 3.26Å; E1142-K1145 WeakPolarHBondContact OE1-CE 3.21Å; E1142-K1145 IonicContact OE1-NZ 3.76Å; E1142-K1145 PolarHBondContact OE1-NZ 3.26Å; E1142-K1145 WeakPolarHBondContact OE2-CD 3.48Å; E1142-K1145 WeakPolarHBondContact OE2-CE 3.27Å; E1142-K1145 IonicContact OE2-NZ 2.63Å; E1142-K1145 PolarHBondContact OE2-NZ 3.31Å
1143	P	78	Confident	81	Confident	77 Å²	77	70.6 Å²	70.6	50%	0.5	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-56.7	-27.1	-175.4	22.9	-34.5	0	0	0	113.5	K1145 L1146	P1143-K1145 PolarHBondContact O-N 2.88Å; P1143-L1146 WeakPolarHBondContact O-CB 3.35Å; P1143-L1146 PolarHBondContact O-N 2.87Å; P1143-L1146 VanDerWaalsContact O-N 3.1Å
1144	N	78.9	Confident	80.6	Confident	151 Å²	151	70.4 Å²	70.4	81%	0.807	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-62.5	-22.8	177.3	-61.4	-7.9	0	0	0	113.9	E1142 L1146 P1147	E1142-N1144 PolarHBondContact O-N 3.11Å; N1144-L1146 VanDerWaalsContact C-N 3.34Å; N1144-P1147 WeakPolarHBondContact O-CD 3.42Å
1145	K	82.5	Confident	80.2	Confident	81 Å²	81	73.3 Å²	73.3	35%	0.352	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-85.8	-5.6	177.3	-64	-172.8	-171.3	164.7	0	113.4	E1142 P1143 P1147 E1148 Q1149	E1142-K1145 HydrophobicContact CB-CD 4.28Å; E1142-K1145 HydrophobicContact CB-CG 4.31Å; E1142-K1145 VanDerWaalsContact CD-CE 3.5Å; E1142-K1145 PolarHBondContact O-N 3.44Å; E1142-K1145 VanDerWaalsContact OE1-CE 3.26Å; E1142-K1145 WeakPolarHBondContact OE1-CE 3.21Å; E1142-K1145 IonicContact OE1-NZ 3.76Å; E1142-K1145 PolarHBondContact OE1-NZ 3.26Å; E1142-K1145 WeakPolarHBondContact OE2-CD 3.48Å; E1142-K1145 WeakPolarHBondContact OE2-CE 3.27Å; E1142-K1145 IonicContact OE2-NZ 2.63Å; E1142-K1145 PolarHBondContact OE2-NZ 3.31Å; P1143-K1145 PolarHBondContact O-N 2.88Å; K1145-P1147 VanDerWaalsContact C-CD 3.42Å; K1145-P1147 VanDerWaalsContact C-N 3.34Å; K1145-E1148 PolarHBondContact O-N 3.18Å; K1145-E1148 VanDerWaalsContact O-N 3.15Å; K1145-Q1149 HydrophobicContact CB-CG 4.36Å; K1145-Q1149 WeakPolarHBondContact O-CB 3.4Å; K1145-Q1149 WeakPolarHBondContact O-CG 3.37Å; K1145-Q1149 PolarHBondContact O-N 2.73Å
1146	L	81.1	Confident	79.6	Confident	16 Å²	16	68 Å²	68	8%	0.084	36%	0.357	C	S	.	.	H	α-helix	trans	-56.3	-36.4	-178.3	-171.7	60.3	0	0	0	114.3	W1077 I1081 L1133 T1137 V1139 P1143 N1144 S1150	W1077-L1146 HydrophobicContact CE3-CG 4.33Å; W1077-L1146 HydrophobicContact CH2-CD2 4.04Å; W1077-L1146 HydrophobicContact CH2-CG 4.33Å; W1077-L1146 HydrophobicContact CZ3-CB 4.38Å; W1077-L1146 HydrophobicContact CZ3-CD2 3.7Å; W1077-L1146 HydrophobicContact CZ3-CG 3.65Å; I1081-L1146 HydrophobicContact CD1-CD2 4.23Å; L1133-L1146 HydrophobicContact CD1-CD1 4.06Å; L1133-L1146 HydrophobicContact CD2-CD1 4.32Å; L1133-L1146 HydrophobicContact CD2-CD2 4.5Å; L1133-L1146 HydrophobicContact CG-CD1 4.24Å; T1137-L1146 HydrophobicContact CG2-CD1 3.71Å; V1139-L1146 HydrophobicContact CB-CD1 4.24Å; V1139-L1146 HydrophobicContact CG2-CD1 4.42Å; V1139-L1146 HydrophobicContact CG2-CD2 3.92Å; P1143-L1146 WeakPolarHBondContact O-CB 3.35Å; P1143-L1146 PolarHBondContact O-N 2.87Å; P1143-L1146 VanDerWaalsContact O-N 3.1Å; N1144-L1146 VanDerWaalsContact C-N 3.34Å; L1146-S1150 VanDerWaalsContact O-CB 3.22Å; L1146-S1150 WeakPolarHBondContact O-CB 3.28Å; L1146-S1150 PolarHBondContact O-N 3.13Å; L1146-S1150 PolarHBondContact O-OG 2.57Å
1147	P	80.9	Confident	78.9	Confident	33 Å²	33	69 Å²	69	21%	0.214	36%	0.36	C	S	.	.	H	α-helix	trans	-67.3	-37.8	175.5	-22.6	35.6	0	0	0	113.8	W1077 N1144 K1145 R1151	W1077-P1147 HydrophobicContact CB-CB 4.17Å; W1077-P1147 HydrophobicContact CD2-CB 3.8Å; W1077-P1147 HydrophobicContact CD2-CG 3.92Å; W1077-P1147 HydrophobicContact CE3-CB 4.44Å; W1077-P1147 HydrophobicContact CE3-CG 4.42Å; W1077-P1147 HydrophobicContact CG-CB 3.63Å; W1077-P1147 HydrophobicContact CG-CG 4.24Å; W1077-P1147 HydrophobicContact CZ2-CG 4.16Å; N1144-P1147 WeakPolarHBondContact O-CD 3.42Å; K1145-P1147 VanDerWaalsContact C-CD 3.42Å; K1145-P1147 VanDerWaalsContact C-N 3.34Å; P1147-R1151 PolarHBondContact O-N 3.41Å
1148	E	80.4	Confident	77.5	Confident	134 Å²	134	72.5 Å²	72.5	63%	0.626	38%	0.378	S	S	*	.	H	α-helix	trans	-72.9	-44.8	178.1	-61.6	179.7	159.1	0	0	110.6	K1145 S1150 R1151 S1152	K1145-E1148 PolarHBondContact O-N 3.18Å; K1145-E1148 VanDerWaalsContact O-N 3.15Å; E1148-S1150 PolarHBondContact O-N 3.03Å; E1148-R1151 PolarHBondContact O-N 3.31Å; E1148-S1152 WeakPolarHBondContact O-CB 3.34Å; E1148-S1152 PolarHBondContact O-N 3.47Å
1149	Q	82.9	Confident	75.3	Confident	45 Å²	45	80.7 Å²	80.7	21%	0.21	42%	0.419	C	S	.	.	H	α-helix	trans	-66.3	-35.6	177.4	-70.3	175.9	-3.4	0	0	112.1	T1137 S1138 K1145 S1152 L1153	T1137-Q1149 VanDerWaalsContact CB-OE1 3.25Å; T1137-Q1149 HydrophobicContact CG2-CB 4.2Å; S1138-Q1149 PolarHBondContact OG-NE2 2.77Å; K1145-Q1149 HydrophobicContact CB-CG 4.36Å; K1145-Q1149 WeakPolarHBondContact O-CB 3.4Å; K1145-Q1149 WeakPolarHBondContact O-CG 3.37Å; K1145-Q1149 PolarHBondContact O-N 2.73Å; Q1149-S1152 PolarHBondContact O-N 3.4Å; Q1149-L1153 WeakPolarHBondContact O-CB 3.25Å; Q1149-L1153 WeakPolarHBondContact O-CD1 3.31Å; Q1149-L1153 WeakPolarHBondContact O-CG 3.19Å; Q1149-L1153 PolarHBondContact O-N 2.9Å
1150	S	82.2	Confident	75	Confident	0 Å²	0	82.9 Å²	82.9	0%	0	43%	0.429	C	S	.	.	H	α-helix	trans	-62.4	-45.1	174.8	-64.2	0	0	0	0	111.8	L1146 E1148 S1154	L1146-S1150 VanDerWaalsContact O-CB 3.22Å; L1146-S1150 WeakPolarHBondContact O-CB 3.28Å; L1146-S1150 PolarHBondContact O-N 3.13Å; L1146-S1150 PolarHBondContact O-OG 2.57Å; E1148-S1150 PolarHBondContact O-N 3.03Å; S1150-S1154 WeakPolarHBondContact O-CB 3Å; S1150-S1154 PolarHBondContact O-N 3.46Å
1151	R	81.9	Confident	75	Confident	98 Å²	98	79.4 Å²	79.4	37%	0.37	41%	0.41	S	S	.	.	H	α-helix	trans	-64.6	-47.1	174.6	-68.5	-178.2	-174.6	109.6	-9.2	111.9	T1073 E1074 P1147 E1148 L1153 S1154 I1155	T1073-R1151 HydrophobicContact CG2-CG 4.17Å; E1074-R1151 PolarHBondContact O-NE 3.21Å; P1147-R1151 PolarHBondContact O-N 3.41Å; E1148-R1151 PolarHBondContact O-N 3.31Å; R1151-L1153 PolarHBondContact O-N 3.41Å; R1151-S1154 WeakPolarHBondContact O-CB 3.36Å; R1151-S1154 PolarHBondContact O-N 3.41Å; R1151-I1155 WeakPolarHBondContact O-CG1 3.39Å; R1151-I1155 PolarHBondContact O-N 2.96Å
1152	S	80.6	Confident	74.9	Confident	68 Å²	68	74.6 Å²	74.6	48%	0.476	39%	0.39	S	S	.	.	H	α-helix	trans	-59.2	-47	177.6	-176.7	0	0	0	0	112	E1148 Q1149 S1154 I1155 T1156	E1148-S1152 WeakPolarHBondContact O-CB 3.34Å; E1148-S1152 PolarHBondContact O-N 3.47Å; Q1149-S1152 PolarHBondContact O-N 3.4Å; S1152-S1154 VanDerWaalsContact C-N 3.34Å; S1152-S1154 PolarHBondContact O-N 3.02Å; S1152-I1155 WeakPolarHBondContact O-CB 3.43Å; S1152-I1155 PolarHBondContact O-N 3.5Å; S1152-I1155 VanDerWaalsContact O-N 3.13Å; S1152-T1156 WeakPolarHBondContact O-CG2 3.2Å; S1152-T1156 PolarHBondContact O-N 3.2Å
1153	L	79.6	Confident	74.6	Confident	27 Å²	27	74.2 Å²	74.2	14%	0.141	39%	0.39	C	S	.	.	H	α-helix	trans	-66.2	-34.5	177.7	-71.9	168.9	0	0	0	112.6	Y1080 T1137 Q1149 R1151 I1155 T1156 N1157	Y1080-L1153 HydrophobicContact CE1-CB 4.15Å; Y1080-L1153 HydrophobicContact CE1-CD1 3.88Å; Y1080-L1153 HydrophobicContact CE2-CB 4.03Å; T1137-L1153 HydrophobicContact CG2-CD1 3.45Å; T1137-L1153 VanDerWaalsContact CG2-CD1 3.45Å; Q1149-L1153 WeakPolarHBondContact O-CB 3.25Å; Q1149-L1153 WeakPolarHBondContact O-CD1 3.31Å; Q1149-L1153 WeakPolarHBondContact O-CG 3.19Å; Q1149-L1153 PolarHBondContact O-N 2.9Å; R1151-L1153 PolarHBondContact O-N 3.41Å; L1153-I1155 PolarHBondContact O-N 3.27Å; L1153-T1156 WeakPolarHBondContact CA-OG1 3.37Å; L1153-T1156 PolarHBondContact O-N 3.29Å; L1153-T1156 PolarHBondContact O-OG1 3.08Å; L1153-N1157 WeakPolarHBondContact O-CB 3.28Å; L1153-N1157 PolarHBondContact O-N 3.42Å; L1153-N1157 PolarHBondContact O-ND2 2.84Å
1154	S	77.5	Confident	74.4	Confident	7 Å²	7	74 Å²	74	5%	0.049	38%	0.383	C	S	.	.	H	α-helix	trans	-60.7	-36.7	173.2	-167.2	0	0	0	0	111.7	L1070 S1150 R1151 S1152	L1070-S1154 WeakPolarHBondContact CA-OG 3.44Å; S1150-S1154 WeakPolarHBondContact O-CB 3Å; S1150-S1154 PolarHBondContact O-N 3.46Å; R1151-S1154 WeakPolarHBondContact O-CB 3.36Å; R1151-S1154 PolarHBondContact O-N 3.41Å; S1152-S1154 VanDerWaalsContact C-N 3.34Å; S1152-S1154 PolarHBondContact O-N 3.02Å
1155	I	75	Confident	74.1	Confident	88 Å²	88	68.9 Å²	68.9	45%	0.451	36%	0.355	S	S	.	.	H	α-helix	trans	-71.7	-45.6	174	-62.1	160.4	0	0	0	110.7	L1070 R1151 S1152 L1153 N1157 L1158	L1070-I1155 HydrophobicContact CD1-CB 4.48Å; L1070-I1155 HydrophobicContact CD1-CG1 3.67Å; R1151-I1155 WeakPolarHBondContact O-CG1 3.39Å; R1151-I1155 PolarHBondContact O-N 2.96Å; S1152-I1155 WeakPolarHBondContact O-CB 3.43Å; S1152-I1155 PolarHBondContact O-N 3.5Å; S1152-I1155 VanDerWaalsContact O-N 3.13Å; L1153-I1155 PolarHBondContact O-N 3.27Å; I1155-N1157 VanDerWaalsContact C-N 3.27Å; I1155-N1157 PolarHBondContact O-N 3.05Å; I1155-L1158 VanDerWaalsContact O-CB 3.27Å; I1155-L1158 WeakPolarHBondContact O-CB 3.18Å; I1155-L1158 PolarHBondContact O-N 3.44Å
1156	T	71.4	Confident	73.5	Confident	70 Å²	70	68 Å²	68	43%	0.429	36%	0.355	S	S	.	.	H	α-helix	trans	-71.3	-15.9	-178.2	65.9	0	0	0	0	114.4	S1152 L1153	S1152-T1156 WeakPolarHBondContact O-CG2 3.2Å; S1152-T1156 PolarHBondContact O-N 3.2Å; L1153-T1156 WeakPolarHBondContact CA-OG1 3.37Å; L1153-T1156 PolarHBondContact O-N 3.29Å; L1153-T1156 PolarHBondContact O-OG1 3.08Å
1157	N	65.5	Low	73	Confident	82 Å²	82	72 Å²	72	44%	0.439	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	1.7	171.7	-80.4	-86.7	0	0	0	113.2	R1066 L1153 I1155	R1066-N1157 PolarHBondContact NE-O 3.46Å; L1153-N1157 WeakPolarHBondContact O-CB 3.28Å; L1153-N1157 PolarHBondContact O-N 3.42Å; L1153-N1157 PolarHBondContact O-ND2 2.84Å; I1155-N1157 VanDerWaalsContact C-N 3.27Å; I1155-N1157 PolarHBondContact O-N 3.05Å
1158	L	54	Low	72.3	Confident	87 Å²	87	75.3 Å²	75.3	46%	0.455	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-4.9	177.2	-125.9	162.1	0	0	0	112.5	R1066 L1070 I1155	R1066-L1158 HydrophobicContact CB-CG 4.44Å; L1070-L1158 HydrophobicContact CB-CD1 4.01Å; L1070-L1158 HydrophobicContact CD1-CD1 4.17Å; L1070-L1158 HydrophobicContact CD2-CD1 3.91Å; L1070-L1158 HydrophobicContact CG-CD1 4.25Å; I1155-L1158 VanDerWaalsContact O-CB 3.27Å; I1155-L1158 WeakPolarHBondContact O-CB 3.18Å; I1155-L1158 PolarHBondContact O-N 3.44Å
1159	L	36.7	Very low	71.6	Confident	197 Å²	197	69.9 Å²	69.9	100%	1.031	37%	0.368	S	S	*	.			trans	-104.9	0	172.4	-67.1	170.6	0	0	0	110.9

Retrieved 1,159 of 1,159 residues in 992 ms (Link to these results)

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