A0A3Q0KHJ1_SCHMA Loading...

Putative papillomavirus regulatory factor prf-1

AlphaFold DB , UniProt , Accession A0A3Q0KHJ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 834 aa.

						>A0A3Q0KHJ1_SCHMA|A0A3Q0KHJ1
MPELNMFTVRPADGGSRLVTRGLEDILPSTPQQSILTPPTEDEWDSDLIGCDEISPSPHNNTAFPTKCEATVSDSFSYPLFIDVPSRASIDEGSSFEPMTTLSGLPSNSTASFGLSPILGSSDVTDINIPRESAGHFDVSSHRTFSDNNPYPHKSALGTSLPSRGSMDPSSVTHLVTQRVGSSNSDNCFHKRWDTFSSQPELSSKGLVKTHDEDSPLEVKRTSIPSQTTSFRNQTSTDYVVEAVLHWIESISPNTTSEPNTWEKVDINELKETMKTLLASSNTFEGDYVQDCSEDRPQLPVYSPSYFEQAHFSAIETSSETSMPSTSSNVSLCLKSNLVTVNRETVVSNYQSTRFMTSEPQQQQQDKSQYCFSNPSSTCPKCFPNFGTQNSLEFVKDKISPCDCKSFQGDSNNANSFHLDPISENTCVISPNFIHASSDPKSDIFTSSEPPSNPLVYAQQILPSLINERGSVSFQLLSSILAHSCIECNQDCHRSMLLDGLKQAFSSIMYSPTSVPSTPTTNEVYYGADPVYSRSHSSMLRENKEQPITGYTVPVRRHLSCVGFTDSLSPVSLIDSPTHNLSEAHNILPHPSESGSYFSESCPSHINVDHSKESQTTSLSYPIGSAEMFHHVYFPPRSRESKSGEFLRSETSHTVEQGCTIQLNTSTNEASMKTNVETSKTLKFQVNCNSFVSQPRKLDYRDSVSGIPLRVGLPPSTTSGRIDVRKCRKVYGIENRDQWCNQCKWKKACRRFPNPCSVSKHAQGLSNRNLPVEKCNRQPIESNVSEMCVICSPTCSSDISLSSMTSPSSWPISSSIYGNLSDNSTVPYKNLTGE
					

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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	34.1	Very low	47.7	Very low	129 Å²	129	108 Å²	108	64%	0.635	55%	0.546	S	S	*	.				0	122.2	0	-120.3	-173.3	83.9	0	0	108.4	E218 V219 K220	M1-E218 VanDerWaalsContact CA-OE2 3.24Å; M1-E218 WeakPolarHBondContact CA-OE2 3.5Å; M1-E218 PolarHBondContact N-OE1 3.26Å; M1-E218 PolarHBondContact N-OE2 2.85Å; M1-V219 PolarHBondContact N-O 3.47Å; M1-K220 HydrophobicContact CB-CD 3.6Å; M1-K220 WeakPolarHBondContact O-CD 2.95Å; M1-K220 PolarHBondContact O-NZ 2.86Å
2	P	42.8	Very low	48.7	Very low	42 Å²	42	107.4 Å²	107.4	27%	0.273	57%	0.57	S	S	.	*			cis	-97.4	154.1	-0.1	36.2	-31.6	0	0	0	113.5	L4 L23 E24	P2-L4 HydrophobicContact CG-CD1 4.29Å; P2-L4 PolarHBondContact O-N 2.86Å; P2-L23 HydrophobicContact CG-CB 3.77Å; P2-L23 WeakPolarHBondContact CG-O 3.45Å; P2-E24 WeakPolarHBondContact CD-OE1 3.37Å; P2-E24 WeakPolarHBondContact CG-OE1 3.4Å
3	E	46	Very low	49.4	Very low	158 Å²	158	108.9 Å²	108.9	74%	0.738	58%	0.578	S	S	*	*			trans	-72.7	117	167.6	-68.1	177.2	159.5	0	0	109.9	E218	E3-E218 HydrophobicContact CG-CG 4.05Å
4	L	47.8	Very low	49.5	Very low	75 Å²	75	103.1 Å²	103.1	39%	0.393	56%	0.557	S	S	.	*			trans	-116.5	102.3	174.7	-83.2	161.3	0	0	0	110.7	P2 M6 T20 R21	P2-L4 HydrophobicContact CG-CD1 4.29Å; P2-L4 PolarHBondContact O-N 2.86Å; L4-M6 PolarHBondContact O-N 2.7Å; L4-T20 HydrophobicContact CB-CG2 4.32Å; L4-R21 WeakPolarHBondContact CD1-O 3.28Å
5	N	50.2	Low	49.8	Very low	131 Å²	131	96.4 Å²	96.4	70%	0.701	52%	0.522	S	S	*	.			trans	-59.2	132.3	179.7	-69.3	-46.8	0	0	0	111.9	F7	N5-F7 HydrophobicContact CB-CD2 4.33Å; N5-F7 HydrophobicContact CB-CE2 3.82Å; N5-F7 HydrophobicContact CB-CZ 4.47Å
6	M	45.5	Very low	49.9	Very low	102 Å²	102	90.9 Å²	90.9	50%	0.502	49%	0.493	S	S	.	.			trans	-116.1	104.8	-178.8	-165.7	158	63.8	0	0	110.5	L4 L18 T20	L4-M6 PolarHBondContact O-N 2.7Å; M6-L18 HydrophobicContact CE-CD1 4.27Å; M6-L18 HydrophobicContact CG-CD1 3.9Å; M6-L18 HydrophobicContact CG-CD2 3.3Å; M6-L18 HydrophobicContact CG-CG 4.18Å; M6-L18 HydrophobicContact SD-CD1 4.36Å; M6-L18 HydrophobicContact SD-CD2 4.18Å; M6-T20 HydrophobicContact CB-CG2 3.62Å; M6-T20 HydrophobicContact CG-CG2 3.79Å; M6-T20 HydrophobicContact SD-CG2 3.72Å
7	F	50.1	Low	49.6	Very low	126 Å²	126	91.4 Å²	91.4	55%	0.553	49%	0.486	S	S	*	.			trans	-97.9	121.9	-175.2	-71	-85.3	0	0	0	112.9	N5 V9 L18 E677	N5-F7 HydrophobicContact CB-CD2 4.33Å; N5-F7 HydrophobicContact CB-CE2 3.82Å; N5-F7 HydrophobicContact CB-CZ 4.47Å; F7-V9 PolarHBondContact O-N 3.04Å; F7-L18 WeakPolarHBondContact O-CD2 3.27Å; F7-E677 HydrophobicContact CE1-CG 4.02Å; F7-E677 HydrophobicContact CZ-CG 4.15Å
8	T	51.8	Low	49.4	Very low	91 Å²	91	87.2 Å²	87.2	56%	0.558	46%	0.464	S	S	*	.			trans	-80	105.1	-175.7	-40	0	0	0	0	113.6	L18	T8-L18 HydrophobicContact CG2-CD1 3.95Å; T8-L18 HydrophobicContact CG2-CG 4.06Å; T8-L18 WeakPolarHBondContact OG1-CD1 3.34Å
9	V	51.7	Low	49.4	Very low	103 Å²	103	87.5 Å²	87.5	62%	0.624	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-94	131.7	168.5	-175.3	0	0	0	0	110	F7 P11 R17	F7-V9 PolarHBondContact O-N 3.04Å; V9-P11 WeakPolarHBondContact O-CD 3.02Å; V9-R17 PolarHBondContact O-N 2.74Å
10	R	51.6	Low	49.5	Very low	175 Å²	175	86.9 Å²	86.9	66%	0.66	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-97.9	116.5	172	-79.4	-176.9	169.1	175.1	-1.3	110.6	C427	R10-C427 PolarHBondContact NE-SG 3.2Å
11	P	53.1	Low	49.3	Very low	56 Å²	56	93.8 Å²	93.8	36%	0.364	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-63.9	169.2	157.7	-19.1	33.5	0	0	0	111.7	V9 D13 G15 R17	V9-P11 WeakPolarHBondContact O-CD 3.02Å; P11-D13 PolarHBondContact O-N 2.7Å; P11-G15 WeakPolarHBondContact CD-O 3.45Å; P11-R17 HydrophobicContact CG-CB 4.2Å; P11-R17 HydrophobicContact CG-CG 3.81Å
12	A	59.7	Low	49.7	Very low	101 Å²	101	90.9 Å²	90.9	84%	0.835	49%	0.491	S	S	*	.	S	Bend	trans	-62.6	-29.8	178.8	0	0	0	0	0	113.2	G14	A12-G14 PolarHBondContact O-N 3.42Å; A12-G14 VanDerWaalsContact O-N 3.12Å
13	D	57.8	Low	49.8	Very low	127 Å²	127	94.1 Å²	94.1	68%	0.679	51%	0.505	S	S	*	.	S	Bend	trans	-91.9	59.9	-169.7	-39.4	-64.2	0	0	0	112.9	P11 G15 R17	P11-D13 PolarHBondContact O-N 2.7Å; D13-G15 PolarHBondContact O-N 3.34Å; D13-R17 PolarHBondContact O-NH2 3.13Å
14	G	51	Low	49.7	Very low	28 Å²	28	90 Å²	90	29%	0.289	49%	0.486	S	S	.	.	S	Bend	trans	69.6	-21	156.5	0	0	0	0	0	120.5	A12 N425 C427	A12-G14 PolarHBondContact O-N 3.42Å; A12-G14 VanDerWaalsContact O-N 3.12Å; G14-N425 WeakPolarHBondContact CA-OD1 3.42Å; G14-C427 PolarHBondContact O-N 3.49Å
15	G	53.6	Low	49.2	Very low	2 Å²	2	94.4 Å²	94.4	2%	0.021	51%	0.51	C	S	.	.	S	Bend	trans	-120.5	147.6	-177	0	0	0	0	0	113.9	P11 D13 R17	P11-G15 WeakPolarHBondContact CD-O 3.45Å; D13-G15 PolarHBondContact O-N 3.34Å; G15-R17 VanDerWaalsContact O-CG 3.24Å; G15-R17 WeakPolarHBondContact O-CG 3.24Å; G15-R17 PolarHBondContact O-NE 2.95Å
16	S	51.2	Low	48.8	Very low	8 Å²	8	94.2 Å²	94.2	6%	0.056	51%	0.507	C	S	.	.			trans	-95.1	119.5	-167.6	47.7	0	0	0	0	115.6	L18 C427 V428 I429	S16-L18 VanDerWaalsContact C-N 3.33Å; S16-L18 PolarHBondContact O-N 2.65Å; S16-C427 WeakPolarHBondContact OG-CB 3.17Å; S16-V428 CarbonylContact C-O 3.52Å; S16-V428 WeakPolarHBondContact CA-O 3.5Å; S16-V428 PolarHBondContact N-O 2.69Å; S16-V428 PolarHBondContact OG-O 2.65Å; S16-I429 WeakPolarHBondContact O-CA 3.41Å
17	R	45.4	Very low	48.4	Very low	99 Å²	99	97.1 Å²	97.1	37%	0.374	52%	0.524	S	S	.	.			trans	-65.9	35.4	-159.6	2.5	170.7	-172.6	-126.7	8.6	119.6	V9 P11 D13 G15 S430	V9-R17 PolarHBondContact O-N 2.74Å; P11-R17 HydrophobicContact CG-CB 4.2Å; P11-R17 HydrophobicContact CG-CG 3.81Å; D13-R17 PolarHBondContact O-NH2 3.13Å; G15-R17 VanDerWaalsContact O-CG 3.24Å; G15-R17 WeakPolarHBondContact O-CG 3.24Å; G15-R17 PolarHBondContact O-NE 2.95Å; R17-S430 PolarHBondContact NH1-OG 2.8Å
18	L	46.5	Very low	47.9	Very low	17 Å²	17	96.2 Å²	96.2	9%	0.089	53%	0.531	C	S	.	.			trans	-95.4	142.2	-154.4	-109.4	-168.7	0	0	0	119.6	M6 F7 T8 S16 I429 S430	M6-L18 HydrophobicContact CE-CD1 4.27Å; M6-L18 HydrophobicContact CG-CD1 3.9Å; M6-L18 HydrophobicContact CG-CD2 3.3Å; M6-L18 HydrophobicContact CG-CG 4.18Å; M6-L18 HydrophobicContact SD-CD1 4.36Å; M6-L18 HydrophobicContact SD-CD2 4.18Å; F7-L18 WeakPolarHBondContact O-CD2 3.27Å; T8-L18 HydrophobicContact CG2-CD1 3.95Å; T8-L18 HydrophobicContact CG2-CG 4.06Å; T8-L18 WeakPolarHBondContact OG1-CD1 3.34Å; S16-L18 VanDerWaalsContact C-N 3.33Å; S16-L18 PolarHBondContact O-N 2.65Å; L18-I429 HydrophobicContact CB-CD1 3.75Å; L18-I429 HydrophobicContact CB-CG2 4.03Å; L18-I429 HydrophobicContact CD1-CD1 4.22Å; L18-I429 WeakPolarHBondContact O-CG2 3.38Å; L18-S430 CarbonylContact C-O 3.43Å
19	V	48.9	Very low	47.1	Very low	93 Å²	93	97.1 Å²	97.1	56%	0.564	54%	0.541	S	S	*	.			trans	-154.2	149.8	175.5	-175.9	0	0	0	0	110.8	S430	V19-S430 WeakPolarHBondContact CG2-O 3.41Å
20	T	51.1	Low	46.4	Very low	74 Å²	74	99.2 Å²	99.2	45%	0.454	55%	0.554	S	S	.	*			trans	-111.6	148.7	157.2	25.7	0	0	0	0	111.6	L4 M6	L4-T20 HydrophobicContact CB-CG2 4.32Å; M6-T20 HydrophobicContact CB-CG2 3.62Å; M6-T20 HydrophobicContact CG-CG2 3.79Å; M6-T20 HydrophobicContact SD-CG2 3.72Å
21	R	46.4	Very low	45.6	Very low	232 Å²	232	96.2 Å²	96.2	88%	0.875	56%	0.558	S	S	*	*			trans	-133	137.7	-179.8	-152.8	173	-169.7	138.9	2.8	110.3	L4	L4-R21 WeakPolarHBondContact CD1-O 3.28Å
22	G	40.9	Very low	45	Very low	68 Å²	68	102.3 Å²	102.3	70%	0.701	58%	0.581	S	S	*	*			trans	-84.6	165.8	-152.5	0	0	0	0	0	119
23	L	45	Very low	43.8	Very low	110 Å²	110	106.5 Å²	106.5	58%	0.576	58%	0.584	S	S	*	*			trans	-134.1	146.9	154.2	-96.9	155	0	0	0	103.3	P2 I26	P2-L23 HydrophobicContact CG-CB 3.77Å; P2-L23 WeakPolarHBondContact CG-O 3.45Å; L23-I26 HydrophobicContact CD2-CD1 4.25Å
24	E	45.1	Very low	42.7	Very low	72 Å²	72	105.5 Å²	105.5	34%	0.336	59%	0.586	S	S	.	*			cis	-155.1	126.3	25.2	54.5	-146.7	29.9	0	0	109.7	P2 I26 K220	P2-E24 WeakPolarHBondContact CD-OE1 3.37Å; P2-E24 WeakPolarHBondContact CG-OE1 3.4Å; E24-I26 HydrophobicContact CB-CD1 3.85Å; E24-I26 HydrophobicContact CB-CG1 4.06Å; E24-K220 IonicContact OE2-NZ 3.63Å; E24-K220 PolarHBondContact OE2-NZ 2.66Å
25	D	36.2	Very low	42	Very low	168 Å²	168	111.3 Å²	111.3	90%	0.898	61%	0.609	S	S	*	*			trans	-129.9	81.2	159.3	-136.9	-15.8	0	0	0	107.3
26	I	41.7	Very low	41.3	Very low	126 Å²	126	119.3 Å²	119.3	65%	0.646	65%	0.65	S	S	*	*			trans	-98.5	100.7	-166.9	-61.6	167.9	0	0	0	108.6	L23 E24	L23-I26 HydrophobicContact CD2-CD1 4.25Å; E24-I26 HydrophobicContact CB-CD1 3.85Å; E24-I26 HydrophobicContact CB-CG1 4.06Å
27	L	37.4	Very low	40.8	Very low	163 Å²	163	125 Å²	125	85%	0.853	69%	0.685	S	S	*	*			trans	-132.5	133.8	160.9	-74.4	179.9	0	0	0	110.7
28	P	39.1	Very low	41	Very low	107 Å²	107	125.6 Å²	125.6	70%	0.695	70%	0.702	S	S	*	*			trans	-100.4	136	-165.2	36.6	-34.7	0	0	0	115.8
29	S	35.7	Very low	40.8	Very low	110 Å²	110	130.6 Å²	130.6	77%	0.769	74%	0.735	S	S	*	*			trans	47.3	110.1	130.5	-52.1	0	0	0	0	121.6
30	T	36.2	Very low	40.4	Very low	147 Å²	147	131.8 Å²	131.8	90%	0.902	74%	0.743	S	S	*	*			trans	-136.9	120.3	140	45.9	0	0	0	0	110.9
31	P	35.8	Very low	39.8	Very low	113 Å²	113	135.2 Å²	135.2	73%	0.734	75%	0.754	S	S	*	*			trans	-122.1	131.3	178	37	-25.3	0	0	0	114.9
32	Q	40.7	Very low	39.5	Very low	183 Å²	183	130.6 Å²	130.6	86%	0.855	75%	0.746	S	S	*	*			trans	-171.6	134	155.7	-102	154.2	31	0	0	106.9
33	Q	33.3	Very low	39.5	Very low	190 Å²	190	134.8 Å²	134.8	89%	0.888	75%	0.748	S	S	*	*			cis	83.7	147.4	38.2	-69.2	-163.7	-21.2	0	0	115.8
34	S	36.4	Very low	39.6	Very low	105 Å²	105	141.7 Å²	141.7	73%	0.734	77%	0.766	S	S	*	*			trans	83.6	101.6	-169.5	-151.3	0	0	0	0	114.2
35	I	35.5	Very low	39.2	Very low	150 Å²	150	144.6 Å²	144.6	77%	0.769	78%	0.784	S	S	*	*				72	108.5	58.6	-56.1	162.2	0	0	0	112.8
36	L	39.6	Very low	39.2	Very low	170 Å²	170	140.6 Å²	140.6	89%	0.89	77%	0.769	S	S	*	*				-166.7	159.5	129	-102.7	162.7	0	0	0	110.2
37	T	39.4	Very low	38.9	Very low	127 Å²	127	141 Å²	141	78%	0.779	77%	0.773	S	S	*	*			trans	-114.2	164.4	-160.6	25.7	0	0	0	0	114.6
38	P	49.9	Very low	38.8	Very low	113 Å²	113	139 Å²	139	73%	0.734	76%	0.763	S	S	*	*			trans	-89.1	-176.2	-177.1	39.6	-38.6	0	0	0	112.9
39	P	42.7	Very low	38.5	Very low	121 Å²	121	141.4 Å²	141.4	79%	0.786	77%	0.768	S	S	*	*			trans	-123.2	177.9	135.1	38.6	-31.3	0	0	0	112.9
40	T	40.6	Very low	38.5	Very low	119 Å²	119	138.8 Å²	138.8	73%	0.73	76%	0.758	S	S	*	*			trans	-107.8	-165.6	-178.8	23.9	0	0	0	0	111.2
41	E	37.6	Very low	38.2	Very low	146 Å²	146	137.1 Å²	137.1	68%	0.682	75%	0.751	S	S	*	*			trans	80.6	143.2	156.1	66.9	-113.6	68	0	0	122
42	D	41.7	Very low	38	Very low	134 Å²	134	138.6 Å²	138.6	72%	0.717	75%	0.753	S	S	*	*			trans	80.7	106.5	155.5	-53.8	-23.3	0	0	0	124.8
43	E	41	Very low	37.6	Very low	157 Å²	157	138.2 Å²	138.2	73%	0.734	75%	0.751	S	S	*	*				78.8	62.2	109.1	-154.4	-175.9	135.7	0	0	121.5
44	W	46.2	Very low	37.6	Very low	254 Å²	254	135.9 Å²	135.9	96%	0.962	74%	0.743	S	S	*	*			trans	-152.4	83.7	147.3	-60.5	79	0	0	0	106.7
45	D	37.6	Very low	37.5	Very low	134 Å²	134	135.1 Å²	135.1	72%	0.717	74%	0.738	S	S	*	*			cis	56.5	136.3	49.3	-162.4	36.7	0	0	0	114.9
46	S	35.7	Very low	37.5	Very low	83 Å²	83	134 Å²	134	58%	0.58	74%	0.741	S	S	*	*			trans	56	139.6	171.2	-67.2	0	0	0	0	115.8
47	D	34.5	Very low	37.1	Very low	134 Å²	134	130.9 Å²	130.9	72%	0.717	73%	0.733	S	S	*	*			cis	171.1	174.7	18.3	-104	-6.5	0	0	0	104.1
48	L	34.7	Very low	37.4	Very low	123 Å²	123	129.9 Å²	129.9	64%	0.644	73%	0.728	S	S	*	*			cis	-170.8	163.4	-11.6	-110.9	167.7	0	0	0	106.3
49	I	34.4	Very low	36.6	Very low	157 Å²	157	132.3 Å²	132.3	81%	0.805	73%	0.729	S	S	*	*			trans	64.1	152.2	150.5	-66.8	159.2	0	0	0	115.6
50	G	34.6	Very low	36.1	Very low	54 Å²	54	132.5 Å²	132.5	56%	0.557	72%	0.724	S	S	*	*			cis	-162.4	158.7	-1.6	0	0	0	0	0	108
51	C	30.6	Very low	35.7	Very low	112 Å²	112	133.3 Å²	133.3	76%	0.757	72%	0.724	S	S	*	*				58.8	85.2	65.6	-66.4	0	0	0	0	113.4
52	D	31.6	Very low	35.5	Very low	144 Å²	144	132.6 Å²	132.6	77%	0.77	73%	0.73	S	S	*	*				65.4	156.5	126.8	-57.7	-63.9	0	0	0	121.8
53	E	32.8	Very low	35.3	Very low	175 Å²	175	129.9 Å²	129.9	82%	0.818	73%	0.726	S	S	*	*			trans	64.8	152.3	156.6	-77.4	-156.2	122.8	0	0	118
54	I	32.3	Very low	35.2	Very low	142 Å²	142	132.1 Å²	132.1	73%	0.728	73%	0.733	S	S	*	*			cis	-150	170.4	29.2	-136.7	142.3	0	0	0	112.3
55	S	35	Very low	35.2	Very low	89 Å²	89	124.8 Å²	124.8	62%	0.622	72%	0.719	S	S	*	*			trans	-60.9	177	172.1	-170.7	0	0	0	0	113.2	S57	S55-S57 PolarHBondContact OG-N 2.85Å
56	P	34.7	Very low	35.4	Very low	127 Å²	127	124.5 Å²	124.5	83%	0.825	72%	0.721	S	S	*	*				-125	112.1	127.3	33.6	-28.8	0	0	0	113.3
57	S	32.4	Very low	35.6	Very low	104 Å²	104	127.4 Å²	127.4	73%	0.727	72%	0.724	S	S	*	*			trans	-81.2	161.9	149.8	80.5	0	0	0	0	109.2	S55	S55-S57 PolarHBondContact OG-N 2.85Å
58	P	44.8	Very low	35.6	Very low	105 Å²	105	126.4 Å²	126.4	68%	0.682	73%	0.726	S	S	*	*			trans	-90.2	157.6	-149	34.6	-37.5	0	0	0	114.6
59	H	33.8	Very low	35.7	Very low	164 Å²	164	127.5 Å²	127.5	76%	0.759	73%	0.728	S	S	*	*				-177.3	146.4	114.7	-100.7	-72.3	0	0	0	114
60	N	32.2	Very low	35.9	Very low	125 Å²	125	124.3 Å²	124.3	67%	0.668	73%	0.725	S	S	*	*			trans	69.6	117.3	150	-63	-1.2	0	0	0	122.1
61	N	32.5	Very low	36	Very low	137 Å²	137	128.2 Å²	128.2	73%	0.733	74%	0.738	S	S	*	*				87.9	93.1	129.2	-61.7	-1.5	0	0	0	122
62	T	33.2	Very low	36.4	Very low	131 Å²	131	129 Å²	129	80%	0.804	74%	0.739	S	S	*	*				104.7	126.6	114.2	-58.6	0	0	0	0	120.2
63	A	36	Very low	36.8	Very low	76 Å²	76	126.1 Å²	126.1	63%	0.628	73%	0.731	S	S	*	*			trans	70.8	99.8	163.1	0	0	0	0	0	118.3
64	F	39.3	Very low	37.1	Very low	205 Å²	205	124.3 Å²	124.3	90%	0.899	73%	0.726	S	S	*	*				68.6	147.8	77.4	-76.6	-59.1	0	0	0	115.1
65	P	47	Very low	37.4	Very low	100 Å²	100	121.2 Å²	121.2	65%	0.649	72%	0.717	S	S	*	*			cis	-137.2	164.1	8.8	38.8	-20.2	0	0	0	118.8
66	T	40.8	Very low	37.5	Very low	127 Å²	127	126.1 Å²	126.1	78%	0.779	73%	0.728	S	S	*	*			trans	65.1	143.9	145.9	44.1	0	0	0	0	121.2
67	K	39.7	Very low	37.7	Very low	145 Å²	145	125.2 Å²	125.2	63%	0.63	73%	0.725	S	S	*	*			cis	-164.5	125.2	-8.9	-174.7	171.4	174.3	178.8	0	108	E69	K67-E69 WeakPolarHBondContact CE-OE1 3.2Å; K67-E69 WeakPolarHBondContact CE-OE2 3.48Å; K67-E69 IonicContact NZ-OE1 2.7Å; K67-E69 PolarHBondContact NZ-OE1 2.66Å; K67-E69 IonicContact NZ-OE2 3.54Å
68	C	35	Very low	37.8	Very low	113 Å²	113	129.4 Å²	129.4	76%	0.764	73%	0.726	S	S	*	*				54.6	155.6	90.1	-37.5	0	0	0	0	115.4
69	E	37.5	Very low	37.7	Very low	145 Å²	145	129.9 Å²	129.9	68%	0.678	73%	0.729	S	S	*	*			cis	-139.4	-173.4	11.2	-76.3	88.9	147	0	0	110.5	K67	K67-E69 WeakPolarHBondContact CE-OE1 3.2Å; K67-E69 WeakPolarHBondContact CE-OE2 3.48Å; K67-E69 IonicContact NZ-OE1 2.7Å; K67-E69 PolarHBondContact NZ-OE1 2.66Å; K67-E69 IonicContact NZ-OE2 3.54Å
70	A	37.1	Very low	37.8	Very low	90 Å²	90	127.3 Å²	127.3	74%	0.744	72%	0.72	S	S	*	*				-167.6	115.7	-105.1	0	0	0	0	0	114.7
71	T	37.9	Very low	38.1	Very low	136 Å²	136	130.3 Å²	130.3	83%	0.834	73%	0.728	S	S	*	*			trans	-151.9	136.6	173.8	37.3	0	0	0	0	112.8
72	V	39.4	Very low	38.4	Very low	129 Å²	129	130.3 Å²	130.3	78%	0.782	73%	0.726	S	S	*	*			cis	102	126.6	34.4	161.4	0	0	0	0	111.4
73	S	38.7	Very low	38.6	Very low	84 Å²	84	130.9 Å²	130.9	59%	0.587	72%	0.724	S	S	*	*			cis	-167.8	179.9	-8.6	56	0	0	0	0	113
74	D	38.9	Very low	38.7	Very low	137 Å²	137	132.9 Å²	132.9	73%	0.733	73%	0.728	S	S	*	*			trans	73.7	147.2	150.9	-72	-58.1	0	0	0	121.3
75	S	40.4	Very low	38.9	Very low	77 Å²	77	128.3 Å²	128.3	54%	0.538	72%	0.719	S	S	.	*			cis	-165.9	148.9	-11.9	-122.5	0	0	0	0	112.8
76	F	37.2	Very low	38.3	Very low	191 Å²	191	129.5 Å²	129.5	84%	0.838	73%	0.73	S	S	*	*			trans	39	150.6	156.5	-60.6	-73.7	0	0	0	122.4
77	S	38.7	Very low	37.9	Very low	109 Å²	109	135.5 Å²	135.5	76%	0.762	74%	0.738	S	S	*	*			cis	-157.5	166.4	11.7	-134.9	0	0	0	0	114.2
78	Y	34.6	Very low	37.9	Very low	192 Å²	192	133 Å²	133	75%	0.753	75%	0.745	S	S	*	*			trans	-103.5	166.5	177.8	-102	-81.1	0	0	0	111.5	L80	Y78-L80 HydrophobicContact CD1-CB 3.9Å; Y78-L80 HydrophobicContact CD1-CD1 3.68Å; Y78-L80 HydrophobicContact CD1-CG 3.76Å; Y78-L80 HydrophobicContact CE1-CB 4.42Å; Y78-L80 HydrophobicContact CE1-CD1 3.64Å; Y78-L80 HydrophobicContact CE1-CG 3.77Å; Y78-L80 HydrophobicContact CG-CD1 4.38Å
79	P	41.2	Very low	37.9	Very low	114 Å²	114	132 Å²	132	74%	0.74	74%	0.739	S	S	*	*				-139.9	165.2	62.7	35.9	-15.7	0	0	0	115.6
80	L	36.9	Very low	38.2	Very low	111 Å²	111	132.3 Å²	132.3	58%	0.581	74%	0.744	S	S	*	*			cis	77.8	97.9	16.2	-98.3	178.3	0	0	0	119.6	Y78	Y78-L80 HydrophobicContact CD1-CB 3.9Å; Y78-L80 HydrophobicContact CD1-CD1 3.68Å; Y78-L80 HydrophobicContact CD1-CG 3.76Å; Y78-L80 HydrophobicContact CE1-CB 4.42Å; Y78-L80 HydrophobicContact CE1-CD1 3.64Å; Y78-L80 HydrophobicContact CE1-CG 3.77Å; Y78-L80 HydrophobicContact CG-CD1 4.38Å
81	F	38.3	Very low	38.4	Very low	188 Å²	188	133.8 Å²	133.8	83%	0.825	74%	0.739	S	S	*	*			trans	-155.9	118	141.7	-81.4	-75	0	0	0	106.1
82	I	39.7	Very low	38.6	Very low	136 Å²	136	135.6 Å²	135.6	70%	0.697	74%	0.738	S	S	*	*				79.6	137.7	60	-67	168.8	0	0	0	113
83	D	35.7	Very low	38.6	Very low	143 Å²	143	132 Å²	132	77%	0.765	73%	0.727	S	S	*	*			cis	-175	-178.5	-34.6	-166.5	11.9	0	0	0	108.3
84	V	39.9	Very low	38.7	Very low	118 Å²	118	134 Å²	134	72%	0.715	74%	0.741	S	S	*	*			trans	86.8	128.8	158.3	-170.2	0	0	0	0	118.6
85	P	42	Very low	38.6	Very low	110 Å²	110	131.9 Å²	131.9	71%	0.714	74%	0.737	S	S	*	*			trans	-110.8	-171.7	175.3	43.6	-35.8	0	0	0	112.9
86	S	35.2	Very low	38.5	Very low	124 Å²	124	138.3 Å²	138.3	87%	0.867	76%	0.756	S	S	*	*			trans	-174.2	169.2	136.3	-89.3	0	0	0	0	114.6
87	R	32.8	Very low	38.4	Very low	253 Å²	253	136.8 Å²	136.8	96%	0.955	75%	0.751	S	S	*	*			trans	-112.9	149	-173.2	-62.6	162.6	67.2	176.4	2.1	112.1
88	A	38.7	Very low	38.5	Very low	93 Å²	93	136.8 Å²	136.8	77%	0.769	75%	0.749	S	S	*	*			trans	-161.4	150.4	160.6	0	0	0	0	0	108.6
89	S	35.7	Very low	38.5	Very low	93 Å²	93	134.5 Å²	134.5	65%	0.65	75%	0.746	S	S	*	*			cis	162.2	151.2	-33.3	47.7	0	0	0	0	107.2
90	I	43.4	Very low	38.2	Very low	150 Å²	150	134.5 Å²	134.5	77%	0.769	75%	0.745	S	S	*	*			trans	59.5	156.6	166.5	50.6	173.8	0	0	0	116.7
91	D	41	Very low	38.2	Very low	122 Å²	122	135.4 Å²	135.4	65%	0.652	76%	0.755	S	S	*	*			cis	-156.4	175.6	2.2	-132.7	-27.1	0	0	0	114.2
92	E	42.9	Very low	38	Very low	174 Å²	174	134 Å²	134	81%	0.813	76%	0.755	S	S	*	*			trans	58.5	145	157.2	-65.9	-66	140.4	0	0	120.8
93	G	38.3	Very low	37.8	Very low	52 Å²	52	133 Å²	133	54%	0.536	76%	0.76	S	S	.	*			cis	166.3	147	-8.6	0	0	0	0	0	115.3
94	S	40.7	Very low	37.7	Very low	127 Å²	127	129.7 Å²	129.7	89%	0.888	76%	0.76	S	S	*	*			trans	72.4	162.5	161.7	88.5	0	0	0	0	119.3
95	S	37.3	Very low	37.7	Very low	93 Å²	93	132.5 Å²	132.5	65%	0.65	77%	0.77	S	S	*	*			cis	-166.9	133.7	0.6	128.3	0	0	0	0	116.1
96	F	38.1	Very low	37.8	Very low	212 Å²	212	130.8 Å²	130.8	93%	0.93	76%	0.759	S	S	*	*			trans	73.2	160	143.5	-73.6	-110.3	0	0	0	125.3
97	E	34.7	Very low	37.8	Very low	159 Å²	159	130 Å²	130	74%	0.743	75%	0.753	S	S	*	*			trans	-118.8	-133	-175.7	-152	-155.2	-56.8	0	0	112.5	M99	E97-M99 PolarHBondContact OE2-N 2.8Å
98	P	41.2	Very low	38	Very low	109 Å²	109	124.1 Å²	124.1	71%	0.708	74%	0.741	S	S	*	*			cis	-141.2	150.5	4.6	42.7	-20.8	0	0	0	121.4
99	M	34.7	Very low	37.9	Very low	143 Å²	143	124.7 Å²	124.7	70%	0.704	74%	0.739	S	S	*	*			trans	68.1	117.7	133.5	-69.8	-170.4	-171.8	0	0	128	E97	E97-M99 PolarHBondContact OE2-N 2.8Å
100	T	35.9	Very low	38.1	Very low	115 Å²	115	125.1 Å²	125.1	71%	0.706	74%	0.738	S	S	*	*				80.9	153.2	121.4	67.3	0	0	0	0	128.2
101	T	37.1	Very low	37.9	Very low	130 Å²	130	122.1 Å²	122.1	80%	0.798	74%	0.736	S	S	*	*			trans	93.9	160.4	154.9	72.1	0	0	0	0	121.7
102	L	34.3	Very low	37.8	Very low	157 Å²	157	119.7 Å²	119.7	82%	0.822	73%	0.728	S	S	*	*				-168.4	147.7	-65	-126.1	168.2	0	0	0	113.8
103	S	35.2	Very low	37.5	Very low	116 Å²	116	121.3 Å²	121.3	81%	0.811	73%	0.733	S	S	*	*			trans	96.1	139.9	152.9	-38.6	0	0	0	0	123.2
104	G	33.8	Very low	37.4	Very low	74 Å²	74	122 Å²	122	76%	0.763	74%	0.74	S	S	*	*			trans	161.5	144.8	163.9	0	0	0	0	0	115.9
105	L	38.3	Very low	37.4	Very low	177 Å²	177	124.6 Å²	124.6	93%	0.927	74%	0.743	S	S	*	*			trans	-139	165.3	-170.7	-79.3	169.7	0	0	0	116.5
106	P	44.5	Very low	37.1	Very low	73 Å²	73	125.3 Å²	125.3	47%	0.474	75%	0.748	S	S	.	*			trans	-121	171.2	-168.9	42.5	-31.4	0	0	0	117.5	E669	P106-E669 WeakPolarHBondContact CG-OE2 3.19Å
107	S	36.5	Very low	37.5	Very low	108 Å²	108	121.3 Å²	121.3	76%	0.755	74%	0.743	S	S	*	*			trans	-178.6	128.3	155.9	-90.8	0	0	0	0	120.2
108	N	35.2	Very low	37.6	Very low	130 Å²	130	120.9 Å²	120.9	70%	0.695	74%	0.744	S	S	*	*				41.8	122.4	125.3	-53.7	-34.7	0	0	0	125.9
109	S	36.5	Very low	37.5	Very low	105 Å²	105	123.3 Å²	123.3	73%	0.734	75%	0.75	S	S	*	*			trans	-165.3	158.3	147.9	-80.5	0	0	0	0	113.4	K673	S109-K673 WeakPolarHBondContact O-CD 3.47Å; S109-K673 WeakPolarHBondContact O-CE 3.33Å; S109-K673 PolarHBondContact O-NZ 3.12Å
110	T	40.1	Very low	37.2	Very low	101 Å²	101	119.4 Å²	119.4	62%	0.62	75%	0.747	S	S	*	*			trans	-161.3	169	-170.7	-45.1	0	0	0	0	114.4	K673	T110-K673 PolarHBondContact OG1-NZ 3.03Å; T110-K673 VanDerWaalsContact OG1-NZ 3.13Å
111	A	40.5	Very low	37.1	Very low	87 Å²	87	119.6 Å²	119.6	72%	0.719	75%	0.753	S	S	*	*			trans	101.8	159.9	162	0	0	0	0	0	119.6
112	S	38.2	Very low	36.9	Very low	71 Å²	71	117.4 Å²	117.4	50%	0.497	74%	0.743	S	S	.	*			cis	-177.9	165.4	-31.7	-83.5	0	0	0	0	113.5
113	F	37	Very low	37.2	Very low	209 Å²	209	116.5 Å²	116.5	92%	0.917	74%	0.739	S	S	*	*			trans	68	164.7	161.4	-38	-58.4	0	0	0	118.1
114	G	36	Very low	37.2	Very low	65 Å²	65	117.3 Å²	117.3	67%	0.67	74%	0.739	S	S	*	*			cis	174.8	148.4	-5	0	0	0	0	0	109.5
115	L	40.7	Very low	37.3	Very low	182 Å²	182	119 Å²	119	95%	0.953	74%	0.735	S	S	*	*				175.9	175.9	91	-85.8	173.6	0	0	0	111.2
116	S	31.3	Very low	37.3	Very low	109 Å²	109	116.3 Å²	116.3	76%	0.762	72%	0.721	S	S	*	*			trans	-126.1	171.5	-160	-50.3	0	0	0	0	114.8
117	P	45.9	Very low	36.8	Very low	128 Å²	128	119 Å²	119	83%	0.831	73%	0.73	S	S	*	*			trans	-94.3	170	-168.5	38.4	-36.1	0	0	0	115.3
118	I	36	Very low	36.9	Very low	150 Å²	150	120.3 Å²	120.3	77%	0.769	73%	0.729	S	S	*	*			trans	-150.6	151.7	-175.3	-31.4	177.1	0	0	0	112.6
119	L	39.5	Very low	36.7	Very low	159 Å²	159	120.9 Å²	120.9	83%	0.832	73%	0.73	S	S	*	*			trans	69.8	146.5	168.4	-64.2	122.6	0	0	0	118.6
120	G	29.9	Very low	36.8	Very low	62 Å²	62	121.6 Å²	121.6	64%	0.639	73%	0.732	S	S	*	*			cis	115.1	139.3	-14.2	0	0	0	0	0	116.8
121	S	33.6	Very low	36.4	Very low	119 Å²	119	127.1 Å²	127.1	83%	0.832	74%	0.742	S	S	*	*			trans	67.6	160.4	177.6	-113.7	0	0	0	0	116.2
122	S	32.9	Very low	35.9	Very low	83 Å²	83	129.7 Å²	129.7	58%	0.58	74%	0.739	S	S	*	*			cis	-166.6	-166.2	-31.4	47.2	0	0	0	0	109.9
123	D	40.1	Very low	35.7	Very low	139 Å²	139	131.7 Å²	131.7	74%	0.743	75%	0.753	S	S	*	*			trans	85.3	133.2	163.9	-43.9	-10.2	0	0	0	115.6
124	V	34.3	Very low	35.7	Very low	133 Å²	133	126.8 Å²	126.8	81%	0.806	75%	0.751	S	S	*	*			cis	82.6	135	20.5	-172.9	0	0	0	0	113.3
125	T	37.3	Very low	35.6	Very low	109 Å²	109	127.2 Å²	127.2	67%	0.669	76%	0.755	S	S	*	*			cis	-96.4	-148.1	-4.3	55.4	0	0	0	0	111.3
126	D	37.2	Very low	35.4	Very low	120 Å²	120	126.7 Å²	126.7	64%	0.642	75%	0.748	S	S	*	*			cis	-155.5	158.6	-9.8	-107.8	-40.4	0	0	0	105.4
127	I	35.2	Very low	35.5	Very low	131 Å²	131	129.5 Å²	129.5	67%	0.672	75%	0.746	S	S	*	*			cis	82.6	97.9	14.4	-46.2	174.8	0	0	0	116.6
128	N	37	Very low	35	Very low	134 Å²	134	129.8 Å²	129.8	72%	0.717	74%	0.741	S	S	*	*			trans	166.4	113.4	134.1	-92.9	-72.4	0	0	0	109.1
129	I	32.3	Very low	35.1	Very low	143 Å²	143	128.2 Å²	128.2	73%	0.733	74%	0.738	S	S	*	*				82.8	125.5	68.3	-70.1	173.1	0	0	0	113
130	P	38.2	Very low	34.9	Very low	119 Å²	119	125.4 Å²	125.4	77%	0.773	73%	0.732	S	S	*	*			trans	-98.4	154.3	-169.7	37.8	-36.2	0	0	0	115
131	R	31.3	Very low	35.4	Very low	217 Å²	217	127.2 Å²	127.2	82%	0.819	74%	0.735	S	S	*	*			trans	-162.3	132.3	154.6	-127.5	-178	142.6	150.1	0.8	116.9
132	E	30.7	Very low	35.6	Very low	141 Å²	141	129 Å²	129	66%	0.659	73%	0.73	S	S	*	*			trans	32.9	129.5	142.3	-70.1	-177.2	131.4	0	0	124.6
133	S	33.7	Very low	35.9	Very low	114 Å²	114	136.2 Å²	136.2	80%	0.797	74%	0.744	S	S	*	*				114.3	145.5	120.5	72.3	0	0	0	0	121.6
134	A	35.8	Very low	35.7	Very low	105 Å²	105	134.1 Å²	134.1	87%	0.868	74%	0.737	S	S	*	*			trans	46.7	114.7	158	0	0	0	0	0	119.2
135	G	34.9	Very low	35.8	Very low	74 Å²	74	136.5 Å²	136.5	76%	0.763	74%	0.736	S	S	*	*			cis	142.4	-176.6	27.6	0	0	0	0	0	110.1
136	H	35.5	Very low	36.1	Very low	172 Å²	172	135.8 Å²	135.8	80%	0.796	74%	0.735	S	S	*	*			trans	82.5	103.6	162.3	-141.9	-84.9	0	0	0	121.3
137	F	33.5	Very low	36.2	Very low	167 Å²	167	136.2 Å²	136.2	73%	0.732	74%	0.738	S	S	*	*				22.4	142.4	121.7	-70.1	-84.6	0	0	0	119.5
138	D	36.8	Very low	36.6	Very low	134 Å²	134	137.8 Å²	137.8	72%	0.717	75%	0.748	S	S	*	*			cis	-172.2	-173.4	21.9	-146.6	-28.8	0	0	0	113.3
139	V	38.5	Very low	36.7	Very low	117 Å²	117	137.2 Å²	137.2	71%	0.709	75%	0.745	S	S	*	*			trans	72.3	113	152.6	166.7	0	0	0	0	117.9
140	S	35.3	Very low	37.4	Very low	101 Å²	101	135.6 Å²	135.6	71%	0.706	74%	0.744	S	S	*	*				76.8	156.5	81.7	-123.6	0	0	0	0	115.1
141	S	40	Very low	37.6	Very low	99 Å²	99	138.8 Å²	138.8	69%	0.692	74%	0.741	S	S	*	*			cis	-162.3	165.7	17.4	-134.2	0	0	0	0	115.9
142	H	37.1	Very low	38.4	Very low	158 Å²	158	133 Å²	133	73%	0.731	73%	0.732	S	S	*	*			trans	-17.8	146.6	170.2	-64.1	-95	0	0	0	124.1
143	R	38.7	Very low	38.8	Very low	234 Å²	234	133.9 Å²	133.9	88%	0.883	74%	0.736	S	S	*	*				166.4	129	114.8	-87.8	174.9	-178.3	-128.4	-0.5	110.1
144	T	36.3	Very low	39	Very low	95 Å²	95	136.7 Å²	136.7	58%	0.583	73%	0.734	S	S	*	*			cis	84.5	105.3	35.5	68.9	0	0	0	0	116.5
145	F	37.5	Very low	39.2	Very low	183 Å²	183	136.5 Å²	136.5	80%	0.803	73%	0.726	S	S	*	*				162.7	148.2	109.1	-101.4	-74.1	0	0	0	115.5
146	S	42.1	Very low	39.2	Very low	93 Å²	93	137.4 Å²	137.4	65%	0.65	73%	0.727	S	S	*	*			trans	65	155.4	147.8	-67.9	0	0	0	0	121.6
147	D	40.3	Very low	39.3	Very low	130 Å²	130	138.2 Å²	138.2	70%	0.695	74%	0.735	S	S	*	*			cis	-169	165.8	-29.9	-108.5	-56.9	0	0	0	110.2
148	N	43.8	Very low	39.6	Very low	164 Å²	164	133.9 Å²	133.9	88%	0.877	74%	0.738	S	S	*	*			trans	136.8	135	148.2	-72.2	-62.5	0	0	0	116.5
149	N	39.1	Very low	39.6	Very low	122 Å²	122	133.8 Å²	133.8	65%	0.652	74%	0.743	S	S	*	*			trans	-109.6	-178	175.7	-142.3	-24.9	0	0	0	108.3
150	P	46.3	Very low	39.6	Very low	109 Å²	109	133.7 Å²	133.7	71%	0.708	75%	0.747	S	S	*	*				-157.9	133.7	51	39	-13.8	0	0	0	120.4
151	Y	43.1	Very low	39.7	Very low	185 Å²	185	136.6 Å²	136.6	73%	0.725	75%	0.754	S	S	*	*			trans	61.5	174.3	130.3	-82.9	-117.2	0	0	0	121.3
152	P	47.2	Very low	39.8	Very low	97 Å²	97	137.1 Å²	137.1	63%	0.63	76%	0.755	S	S	*	*				-147.8	174.2	-52.2	44.7	-27.8	0	0	0	118.3
153	H	39.5	Very low	39.9	Very low	159 Å²	159	134.2 Å²	134.2	74%	0.736	75%	0.752	S	S	*	*			trans	43.1	164.6	135.2	-68.2	-43.1	0	0	0	123.9
154	K	38.3	Very low	39.7	Very low	172 Å²	172	134.8 Å²	134.8	75%	0.748	75%	0.754	S	S	*	*			cis	-164	150.2	7.8	-130.7	166.5	-170.6	178.4	0	115.2
155	S	38.7	Very low	39.6	Very low	102 Å²	102	134 Å²	134	71%	0.713	77%	0.765	S	S	*	*			trans	40.7	110.7	141.7	62.3	0	0	0	0	125.9
156	A	36.7	Very low	39.7	Very low	93 Å²	93	130.2 Å²	130.2	77%	0.769	76%	0.761	S	S	*	*				14.4	139.5	127.9	0	0	0	0	0	124.9
157	L	37.4	Very low	39.6	Very low	188 Å²	188	134.2 Å²	134.2	98%	0.984	77%	0.772	S	S	*	*				168.8	148.5	122.1	-92	165.4	0	0	0	112
158	G	37.9	Very low	39.4	Very low	77 Å²	77	135 Å²	135	79%	0.794	78%	0.776	S	S	*	*			trans	148.7	125.3	169.6	0	0	0	0	0	115.9
159	T	38.4	Very low	39.2	Very low	132 Å²	132	132.4 Å²	132.4	81%	0.81	77%	0.769	S	S	*	*			trans	-102.3	164.9	-165.6	48.6	0	0	0	0	116.7
160	S	37.3	Very low	39.1	Very low	114 Å²	114	131 Å²	131	80%	0.797	77%	0.768	S	S	*	*			trans	81	127.8	145.2	43.7	0	0	0	0	122.8
161	L	37.8	Very low	38.7	Very low	163 Å²	163	130.8 Å²	130.8	85%	0.853	77%	0.769	S	S	*	*			trans	-62.7	176.3	160.3	-102.4	76.8	0	0	0	112.7
162	P	42.2	Very low	38.4	Very low	110 Å²	110	127.9 Å²	127.9	71%	0.714	77%	0.77	S	S	*	*			cis	-155.8	179.8	37.2	45.7	-24.1	0	0	0	121.4
163	S	38.6	Very low	37.9	Very low	96 Å²	96	128.5 Å²	128.5	67%	0.671	77%	0.773	S	S	*	*			trans	78	112.2	139.3	-75.9	0	0	0	0	125.3
164	R	35.2	Very low	37.8	Very low	246 Å²	246	128.7 Å²	128.7	93%	0.928	77%	0.773	S	S	*	*				62.9	130	126.4	-61.4	-178.5	73.3	173.4	3	122.4
165	G	35.1	Very low	37.6	Very low	79 Å²	79	127 Å²	127	81%	0.814	77%	0.772	S	S	*	*			trans	109.3	153.8	159	0	0	0	0	0	114.2
166	S	38.6	Very low	37.5	Very low	103 Å²	103	128 Å²	128	72%	0.72	77%	0.773	S	S	*	*			cis	-166.1	147.5	-15.5	-162.8	0	0	0	0	110.5
167	M	39.5	Very low	37.4	Very low	178 Å²	178	128.6 Å²	128.6	88%	0.877	77%	0.768	S	S	*	*			trans	62.1	131.7	156.8	-66.9	157.7	92.1	0	0	121.8
168	D	35.8	Very low	37.4	Very low	145 Å²	145	127 Å²	127	78%	0.775	76%	0.755	S	S	*	*			trans	-23.9	160.3	142.8	-98.1	-71.6	0	0	0	117.3
169	P	41.5	Very low	37.3	Very low	111 Å²	111	133.2 Å²	133.2	72%	0.721	76%	0.755	S	S	*	*				-158.3	152.2	54.5	41.8	-19.2	0	0	0	122.3
170	S	36.4	Very low	37.2	Very low	92 Å²	92	131.2 Å²	131.2	64%	0.643	74%	0.742	S	S	*	*			trans	79.4	156	132	78.2	0	0	0	0	123.9
171	S	38.5	Very low	37	Very low	104 Å²	104	127.2 Å²	127.2	73%	0.727	72%	0.719	S	S	*	*			trans	109.3	109.7	133.5	-67.4	0	0	0	0	122.9
172	V	36.6	Very low	36.9	Very low	124 Å²	124	124.4 Å²	124.4	75%	0.752	71%	0.713	S	S	*	*			trans	89.2	87.3	135.1	-175.7	0	0	0	0	121.5
173	T	35.2	Very low	36.5	Very low	110 Å²	110	124.4 Å²	124.4	68%	0.675	72%	0.715	S	S	*	*				51.4	147.5	112.4	-30.5	0	0	0	0	124.2
174	H	37.2	Very low	36.4	Very low	163 Å²	163	127.9 Å²	127.9	76%	0.755	73%	0.727	S	S	*	*			trans	88.7	143.1	163.3	-68.9	-90.1	0	0	0	118.6
175	L	34	Very low	36.4	Very low	137 Å²	137	120.5 Å²	120.5	72%	0.717	71%	0.713	S	S	*	*			cis	-168.5	172.8	-35.4	-140.7	137.3	0	0	0	108.5
176	V	36.6	Very low	36.4	Very low	123 Å²	123	122.8 Å²	122.8	75%	0.745	71%	0.706	S	S	*	*			trans	73.3	131	165.7	172.2	0	0	0	0	115.8
177	T	36.3	Very low	36.3	Very low	106 Å²	106	125.7 Å²	125.7	65%	0.65	71%	0.714	S	S	*	*			cis	-162.3	137.8	-8.3	-100.2	0	0	0	0	112.4
178	Q	35.9	Very low	36	Very low	153 Å²	153	122.3 Å²	122.3	72%	0.715	71%	0.706	S	S	*	*			trans	29.1	149.7	146.7	-51.9	177.2	4.1	0	0	123.2
179	R	35.6	Very low	35.8	Very low	208 Å²	208	125 Å²	125	79%	0.785	71%	0.711	S	S	*	*			cis	-170	140.7	-15.1	-108.8	-176.6	-179.5	156.5	-1.2	111.2
180	V	37.3	Very low	35.5	Very low	91 Å²	91	127 Å²	127	55%	0.552	71%	0.711	S	S	*	*			trans	51.3	128.3	144.1	-173.5	0	0	0	0	121.4	Y370 F372	V180-Y370 CarbonylContact C-O 3.51Å; V180-F372 WeakPolarHBondContact CG2-O 3.42Å
181	G	33.7	Very low	35.4	Very low	29 Å²	29	131 Å²	131	30%	0.299	72%	0.716	S	S	.	*			trans	-114	-157.8	172.7	0	0	0	0	0	115.7	Y370	G181-Y370 PolarHBondContact N-O 3.43Å
182	S	35.6	Very low	35	Very low	105 Å²	105	134.8 Å²	134.8	73%	0.734	72%	0.715	S	S	*	*			trans	-119.6	149.9	-156.6	-49.4	0	0	0	0	117.7
183	S	34.1	Very low	34.5	Very low	109 Å²	109	138 Å²	138	76%	0.762	71%	0.714	S	S	*	*			trans	28.8	143.4	140.4	65.3	0	0	0	0	123.7
184	N	36	Very low	34.2	Very low	170 Å²	170	138.7 Å²	138.7	91%	0.909	71%	0.713	S	S	*	*			trans	-156	157.3	133.5	-129.1	-4	0	0	0	111
185	S	34.2	Very low	33.9	Very low	91 Å²	91	136.8 Å²	136.8	64%	0.636	71%	0.713	S	S	*	*			trans	-153.3	164.3	-173.2	74.4	0	0	0	0	116.8
186	D	34.8	Very low	33.5	Very low	127 Å²	127	140 Å²	140	68%	0.679	72%	0.721	S	S	*	*			trans	58.6	126.1	152.7	-43.6	-43.2	0	0	0	122.5
187	N	36.7	Very low	33.1	Very low	164 Å²	164	138.3 Å²	138.3	88%	0.877	72%	0.715	S	S	*	*				179.4	158.3	90.7	-94.9	-76.4	0	0	0	113.7
188	C	32.9	Very low	32.7	Very low	106 Å²	106	135.5 Å²	135.5	72%	0.716	70%	0.7	S	S	*	*			trans	-158.8	154.5	179.5	-171.5	0	0	0	0	111.2
189	F	32.7	Very low	32.3	Very low	201 Å²	201	130.5 Å²	130.5	88%	0.882	68%	0.677	S	S	*	*			trans	165	177.8	138.4	-97.2	-70.3	0	0	0	114
190	H	34.3	Very low	32.2	Very low	155 Å²	155	123.8 Å²	123.8	72%	0.718	66%	0.66	S	S	*	*			trans	-158.5	156.9	-149	-156.8	-124	0	0	0	113
191	K	34	Very low	32	Very low	174 Å²	174	122 Å²	122	76%	0.757	65%	0.646	S	S	*	*			trans	10.2	155.6	153.8	-70.9	-175.3	-173.5	173.2	0	121.6
192	R	31.5	Very low	31.8	Very low	185 Å²	185	124.6 Å²	124.6	70%	0.698	65%	0.652	S	S	*	*			cis	-179.7	143.3	-5.9	168	-170.9	174.7	172	2.7	110.9
193	W	26.3	Very low	32.1	Very low	191 Å²	191	119.8 Å²	119.8	72%	0.723	62%	0.619	S	S	*	*			trans	75.1	151.6	156.6	-83.7	32.4	0	0	0	122.4
194	D	28	Very low	32.4	Very low	125 Å²	125	115.1 Å²	115.1	67%	0.668	59%	0.586	S	S	*	*			trans	66.2	145.9	158.4	-55.7	-28.1	0	0	0	123.7
195	T	31.5	Very low	32.8	Very low	123 Å²	123	113.4 Å²	113.4	76%	0.755	57%	0.571	S	S	*	*			trans	92	83.6	159.2	-38.2	0	0	0	0	119.1
196	F	25.4	Very low	33.5	Very low	203 Å²	203	112 Å²	112	89%	0.89	57%	0.571	S	S	*	*			trans	62.9	158.7	149.1	-72.5	-97.2	0	0	0	122.1
197	S	27.6	Very low	34.2	Very low	88 Å²	88	112.9 Å²	112.9	62%	0.615	58%	0.575	S	S	*	*			trans	81.9	127.5	157.9	-105.6	0	0	0	0	122.9	Q199	S197-Q199 PolarHBondContact O-NE2 2.74Å
198	S	27.4	Very low	34.6	Very low	47 Å²	47	110.5 Å²	110.5	33%	0.329	57%	0.566	S	S	.	*				55.6	104.7	122.1	-48.1	0	0	0	0	120.3	E269	S198-E269 WeakPolarHBondContact CB-OE1 3.11Å; S198-E269 PolarHBondContact OG-OE1 3.04Å
199	Q	27.6	Very low	35.1	Very low	48 Å²	48	111.1 Å²	111.1	22%	0.224	56%	0.556	C	S	.	*			trans	-133.5	165.1	-176.7	-56.9	106	67.7	0	0	113.5	S197 E263 K264 D266	S197-Q199 PolarHBondContact O-NE2 2.74Å; Q199-E263 HydrophobicContact CB-CG 4.15Å; Q199-E263 HydrophobicContact CG-CG 4.32Å; Q199-K264 CarbonylContact C-O 3.5Å; Q199-K264 WeakPolarHBondContact CA-O 3.15Å; Q199-K264 HydrophobicContact CB-CB 4.37Å; Q199-K264 WeakPolarHBondContact CB-O 3.32Å; Q199-D266 PolarHBondContact NE2-OD2 3.45Å; Q199-D266 PolarHBondContact OE1-OD2 3.28Å
200	P	34.6	Very low	35.7	Very low	68 Å²	68	107.7 Å²	107.7	44%	0.442	55%	0.552	S	S	.	*			trans	-135.2	153.2	-167	40.2	-21.6	0	0	0	119.7	E263	P200-E263 CarbonylContact C-O 3.42Å; P200-E263 WeakPolarHBondContact CD-O 3.28Å; P200-E263 VanDerWaalsContact O-O 3.06Å
201	E	32.4	Very low	36.1	Very low	54 Å²	54	106.2 Å²	106.2	25%	0.252	55%	0.545	S	S	.	.			trans	-120.6	174.6	-179.5	-146.1	-145.7	-126.8	0	0	116.5	W262 V265 R494 S495	E201-W262 PolarHBondContact OE1-NE1 3.26Å; E201-V265 HydrophobicContact CB-CG2 3.7Å; E201-R494 IonicContact OE1-NH1 3.96Å; E201-R494 WeakPolarHBondContact OE2-CD 3.31Å; E201-R494 IonicContact OE2-CZ 3.82Å; E201-R494 IonicContact OE2-NE 2.62Å; E201-R494 IonicContact OE2-NH1 2.85Å; E201-R494 PolarHBondContact OE2-NH1 3.23Å; E201-S495 WeakPolarHBondContact O-CA 3.33Å; E201-S495 WeakPolarHBondContact O-CB 3.42Å; E201-S495 PolarHBondContact O-N 2.88Å; E201-S495 PolarHBondContact O-OG 2.93Å
202	L	30.2	Very low	36.4	Very low	82 Å²	82	103.8 Å²	103.8	43%	0.429	54%	0.54	S	S	.	.			trans	-138	157.6	-142.2	-60.3	-179	0	0	0	117.8	Q490 D491 R494	L202-Q490 CarbonylContact C-O 3.17Å; L202-Q490 VanDerWaalsContact CB-O 3.28Å; L202-Q490 WeakPolarHBondContact CB-O 3.21Å; L202-D491 WeakPolarHBondContact CA-O 3.47Å; L202-D491 HydrophobicContact CD2-CB 4.48Å; L202-D491 WeakPolarHBondContact CD2-O 3.36Å; L202-R494 VanDerWaalsContact C-CB 3.46Å; L202-R494 VanDerWaalsContact O-CB 3.29Å; L202-R494 WeakPolarHBondContact O-CB 3.43Å; L202-R494 WeakPolarHBondContact O-CD 3.3Å; L202-R494 WeakPolarHBondContact O-CG 3.16Å; L202-R494 PolarHBondContact O-NE 2.87Å
203	S	41.4	Very low	36.8	Very low	4 Å²	4	99.5 Å²	99.5	3%	0.028	53%	0.528	C	S	.	.	B	Isolated β-bridge	trans	-148.1	144.7	177.8	166.6	0	0	0	0	119.8	C488 Q490 D491 C492 H493	S203-C488 VanDerWaalsContact CB-CB 3.41Å; S203-C488 VanDerWaalsContact CB-SG 3.58Å; S203-C488 VanDerWaalsContact OG-CA 3.25Å; S203-C488 WeakPolarHBondContact OG-CA 3.5Å; S203-C488 WeakPolarHBondContact OG-CB 3.34Å; S203-C488 PolarHBondContact OG-SG 3.23Å; S203-Q490 VanDerWaalsContact C-C 3.5Å; S203-Q490 CarbonylContact C-O 3.51Å; S203-Q490 WeakPolarHBondContact CA-O 3.47Å; S203-Q490 PolarHBondContact N-O 2.72Å; S203-D491 PolarHBondContact N-O 3.28Å; S203-D491 CarbonylContact O-C 3.19Å; S203-C492 WeakPolarHBondContact O-CA 3.46Å; S203-C492 PolarHBondContact O-N 3.49Å; S203-H493 PolarHBondContact O-N 3.33Å
204	S	40.6	Very low	37.5	Very low	11 Å²	11	95.2 Å²	95.2	8%	0.077	52%	0.52	C	S	.	.				171.7	139.1	120.2	43.1	0	0	0	0	116.2	E487 C488 N489 Q490	S204-E487 CarbonylContact C-O 2.82Å; S204-C488 VanDerWaalsContact N-C 3.35Å; S204-N489 WeakPolarHBondContact O-CA 3.35Å; S204-N489 WeakPolarHBondContact O-CB 3.19Å; S204-N489 PolarHBondContact O-N 2.93Å; S204-N489 VanDerWaalsContact O-N 3.13Å; S204-Q490 PolarHBondContact O-N 3.12Å; S204-Q490 VanDerWaalsContact OG-CB 3.31Å; S204-Q490 WeakPolarHBondContact OG-CB 3.3Å; S204-Q490 WeakPolarHBondContact OG-CG 3.48Å; S204-Q490 PolarHBondContact OG-NE2 3.36Å; S204-Q490 PolarHBondContact OG-OE1 3.12Å
205	K	44.6	Very low	37.8	Very low	135 Å²	135	93.3 Å²	93.3	59%	0.587	52%	0.516	S	S	*	.			trans	12.9	151.4	160.8	-59.2	177.5	-173.5	-88.1	0	123.1	E487	K205-E487 WeakPolarHBondContact CA-O 3.05Å; K205-E487 HydrophobicContact CG-CB 4.37Å; K205-E487 WeakPolarHBondContact CG-O 3.43Å; K205-E487 PolarHBondContact N-O 3.32Å; K205-E487 IonicContact NZ-OE1 2.86Å; K205-E487 PolarHBondContact NZ-OE1 2.91Å; K205-E487 IonicContact NZ-OE2 3.37Å
206	G	49.8	Very low	38	Very low	62 Å²	62	92.8 Å²	92.8	64%	0.639	52%	0.515	S	S	*	.			trans	139.1	102.2	136.6	0	0	0	0	0	117.2
207	L	48.7	Very low	38.4	Very low	145 Å²	145	89.9 Å²	89.9	76%	0.759	51%	0.507	S	S	*	.			trans	-67.4	141.8	170.5	-143	66.5	0	0	0	109.3
208	V	45.6	Very low	38.3	Very low	114 Å²	114	89.8 Å²	89.8	69%	0.691	50%	0.497	S	S	*	.			cis	70.3	146.8	40	173.6	0	0	0	0	109.1
209	K	43.7	Very low	38.6	Very low	118 Å²	118	93.6 Å²	93.6	51%	0.513	52%	0.519	S	S	.	.			cis	-142.6	-165.4	47.9	-129.7	133.2	-163.7	-143.1	0	111.7
210	T	43.7	Very low	38.8	Very low	129 Å²	129	97.7 Å²	97.7	79%	0.791	54%	0.535	S	S	*	.			cis	-160.6	155	23.1	-2.5	0	0	0	0	108.4
211	H	44.4	Very low	38.6	Very low	125 Å²	125	104.7 Å²	104.7	58%	0.579	55%	0.553	S	S	*	*			cis	-166.4	-160.7	-23.6	-132.9	-34.8	0	0	0	107.6
212	D	40.2	Very low	38.9	Very low	122 Å²	122	108.7 Å²	108.7	65%	0.652	58%	0.582	S	S	*	*			cis	-158.1	159	0.4	-123.2	-40.4	0	0	0	110.6
213	E	39.1	Very low	39.2	Very low	96 Å²	96	109.9 Å²	109.9	45%	0.449	60%	0.596	S	S	.	*			trans	-152.3	169.5	-161.5	-51.1	-175.3	166.2	0	0	116	S352 T353	E213-S352 VanDerWaalsContact OE2-CA 3.28Å; E213-S352 WeakPolarHBondContact OE2-CA 3.37Å; E213-S352 WeakPolarHBondContact OE2-CB 3.44Å; E213-S352 PolarHBondContact OE2-OG 3.43Å; E213-T353 VanDerWaalsContact CD-CA 3.49Å; E213-T353 WeakPolarHBondContact OE1-CA 3.41Å; E213-T353 PolarHBondContact OE1-N 2.96Å; E213-T353 PolarHBondContact OE2-N 3.3Å
214	D	41.3	Very low	38.8	Very low	101 Å²	101	117.7 Å²	117.7	54%	0.54	64%	0.636	S	S	.	*			trans	102.2	152.3	133.5	-129.5	-22.6	0	0	0	127.8	Q351 S352	D214-Q351 VanDerWaalsContact OD1-C 3.32Å; D214-S352 PolarHBondContact OD1-N 2.99Å; D214-S352 PolarHBondContact OD2-N 3.4Å
215	S	34.5	Very low	38.6	Very low	84 Å²	84	123 Å²	123	59%	0.587	67%	0.67	S	S	*	*				83.5	0	129.2	-83.8	0	0	0	0	134.2
216	P	36.3	Very low	38	Very low	113 Å²	113	122.4 Å²	122.4	73%	0.734	68%	0.683	S	S	*	*				0	0	0	46.9	-28.5	0	0	0	121.5
217	L	32.3	Very low	37.4	Very low	141 Å²	141	128.8 Å²	128.8	74%	0.738	70%	0.696	S	S	*	*				0	162.8	0	-88.2	165.4	0	0	0	122
218	E	26.9	Very low	36.4	Very low	86 Å²	86	128.4 Å²	128.4	40%	0.402	70%	0.701	S	S	.	*			trans	-168	166.7	174.4	-130.4	-95.1	82	0	0	119	M1 E3	M1-E218 VanDerWaalsContact CA-OE2 3.24Å; M1-E218 WeakPolarHBondContact CA-OE2 3.5Å; M1-E218 PolarHBondContact N-OE1 3.26Å; M1-E218 PolarHBondContact N-OE2 2.85Å; E3-E218 HydrophobicContact CG-CG 4.05Å
219	V	33.2	Very low	35.8	Very low	128 Å²	128	129 Å²	129	78%	0.776	70%	0.704	S	S	*	*			trans	-165.7	173.9	-177	-105.8	0	0	0	0	122	M1	M1-V219 PolarHBondContact N-O 3.47Å
220	K	30.8	Very low	35	Very low	133 Å²	133	128.9 Å²	128.9	58%	0.578	72%	0.718	S	S	*	*			trans	-167.6	176	164.3	-139.6	150.4	-174.4	159.6	0	117.4	M1 E24	M1-K220 HydrophobicContact CB-CD 3.6Å; M1-K220 WeakPolarHBondContact O-CD 2.95Å; M1-K220 PolarHBondContact O-NZ 2.86Å; E24-K220 IonicContact OE2-NZ 3.63Å; E24-K220 PolarHBondContact OE2-NZ 2.66Å
221	R	32.3	Very low	34.3	Very low	215 Å²	215	129.7 Å²	129.7	81%	0.811	71%	0.711	S	S	*	*			trans	-163.4	-168.6	-168.4	-46.4	-175.8	-171.9	106.8	-4.8	121.6
222	T	36.9	Very low	33.6	Very low	139 Å²	139	134.7 Å²	134.7	85%	0.853	73%	0.725	S	S	*	*			trans	-164.7	-177.7	170.2	38.6	0	0	0	0	112.8
223	S	37.4	Very low	33.3	Very low	106 Å²	106	133.9 Å²	133.9	74%	0.741	72%	0.721	S	S	*	*			cis	-177.9	142.4	-36.6	60.4	0	0	0	0	115.2
224	I	32.7	Very low	33.2	Very low	169 Å²	169	133.5 Å²	133.5	87%	0.867	72%	0.719	S	S	*	*			trans	-155.2	158.6	-177	-50.9	177.1	0	0	0	116.4
225	P	36.1	Very low	33.1	Very low	122 Å²	122	132 Å²	132	79%	0.792	71%	0.714	S	S	*	*			trans	-123.1	-178.4	167	42.6	-29.7	0	0	0	118.7
226	S	32.9	Very low	33.7	Very low	123 Å²	123	132 Å²	132	86%	0.86	71%	0.713	S	S	*	*			trans	-122.3	165.6	-157	-40.7	0	0	0	0	120.2
227	Q	35.8	Very low	34.2	Very low	195 Å²	195	128.8 Å²	128.8	91%	0.911	69%	0.692	S	S	*	*			trans	-144.1	166.4	162.5	-72.6	-169.5	30.1	0	0	112.1
228	T	29.4	Very low	34.9	Very low	138 Å²	138	125.4 Å²	125.4	85%	0.847	68%	0.675	S	S	*	*			trans	-134.2	122.2	-177.1	54	0	0	0	0	114.8
229	T	31.9	Very low	36	Very low	125 Å²	125	130 Å²	130	77%	0.767	69%	0.689	S	S	*	*			trans	-142.7	168.8	165	47.1	0	0	0	0	110.6	F231	T229-F231 PolarHBondContact O-N 3.36Å; T229-F231 VanDerWaalsContact O-N 3.11Å
230	S	26.6	Very low	36.8	Very low	116 Å²	116	126.5 Å²	126.5	81%	0.811	67%	0.668	S	S	*	*	S	Bend	trans	-62.8	107.6	-170.2	-170.4	0	0	0	0	114.1
231	F	28.8	Very low	38	Very low	146 Å²	146	120.8 Å²	120.8	64%	0.64	64%	0.644	S	S	*	*			trans	-150.3	79.9	168.2	-84.9	-80.7	0	0	0	109.4	T229 T235	T229-F231 PolarHBondContact O-N 3.36Å; T229-F231 VanDerWaalsContact O-N 3.11Å; F231-T235 HydrophobicContact CB-CG2 3.77Å; F231-T235 HydrophobicContact CD1-CG2 4.48Å; F231-T235 HydrophobicContact CG-CG2 4.42Å; F231-T235 PolarHBondContact O-OG1 3.42Å
232	R	30.6	Very low	39.4	Very low	231 Å²	231	116.2 Å²	116.2	87%	0.872	63%	0.632	S	S	*	*			trans	-130.9	61.3	-172.6	-156.5	-178.2	-150.4	-167.1	6.4	113.8
233	N	33.8	Very low	40.1	Very low	105 Å²	105	111.7 Å²	111.7	56%	0.561	61%	0.609	S	S	*	*	S	Bend	trans	-171.9	-44.8	145.5	-95.1	-3.8	0	0	0	109.5	T235 S236 E285	N233-T235 VanDerWaalsContact C-N 3.27Å; N233-T235 PolarHBondContact O-N 2.94Å; N233-S236 WeakPolarHBondContact O-CB 3.37Å; N233-S236 PolarHBondContact O-N 2.76Å; N233-E285 PolarHBondContact ND2-OE2 3.31Å
234	Q	36.7	Very low	40.8	Very low	88 Å²	88	108.5 Å²	108.5	41%	0.411	59%	0.585	S	S	.	*	H	α-helix	trans	-47	-45.5	175.1	-129.9	78.6	46.2	0	0	113.8	S236 T237 D238 N282	Q234-S236 PolarHBondContact O-N 3.17Å; Q234-T237 PolarHBondContact O-N 3.23Å; Q234-T237 VanDerWaalsContact O-N 3.17Å; Q234-T237 PolarHBondContact O-OG1 2.73Å; Q234-T237 VanDerWaalsContact O-OG1 3.07Å; Q234-D238 WeakPolarHBondContact CG-OD2 3Å; Q234-D238 WeakPolarHBondContact O-CB 3.49Å; Q234-D238 PolarHBondContact O-N 3.27Å; Q234-N282 PolarHBondContact NE2-ND2 3.38Å
235	T	39.3	Very low	41.8	Very low	70 Å²	70	100.8 Å²	100.8	43%	0.429	55%	0.545	S	S	.	.	H	α-helix	trans	-60.7	-18.2	-177.6	37.2	0	0	0	0	114.5	F231 N233 Y239	F231-T235 HydrophobicContact CB-CG2 3.77Å; F231-T235 HydrophobicContact CD1-CG2 4.48Å; F231-T235 HydrophobicContact CG-CG2 4.42Å; F231-T235 PolarHBondContact O-OG1 3.42Å; N233-T235 VanDerWaalsContact C-N 3.27Å; N233-T235 PolarHBondContact O-N 2.94Å; T235-Y239 WeakPolarHBondContact O-CB 3.36Å; T235-Y239 PolarHBondContact O-N 3.24Å
236	S	46.7	Very low	42.8	Very low	82 Å²	82	101.4 Å²	101.4	57%	0.573	54%	0.538	S	S	*	.	H	α-helix	trans	-75.4	-52.7	173.9	-171.5	0	0	0	0	111.2	N233 Q234 V240	N233-S236 WeakPolarHBondContact O-CB 3.37Å; N233-S236 PolarHBondContact O-N 2.76Å; Q234-S236 PolarHBondContact O-N 3.17Å; S236-V240 WeakPolarHBondContact O-CG2 3.24Å; S236-V240 PolarHBondContact O-N 2.86Å; S236-V240 VanDerWaalsContact O-N 3.15Å
237	T	46.5	Very low	43.9	Very low	47 Å²	47	100.7 Å²	100.7	29%	0.288	52%	0.516	S	S	.	.	H	α-helix	trans	-68.7	-46	179.1	40.3	0	0	0	0	111.1	Q234 Y239 V240 V241	Q234-T237 PolarHBondContact O-N 3.23Å; Q234-T237 VanDerWaalsContact O-N 3.17Å; Q234-T237 PolarHBondContact O-OG1 2.73Å; Q234-T237 VanDerWaalsContact O-OG1 3.07Å; T237-Y239 VanDerWaalsContact C-N 3.33Å; T237-Y239 PolarHBondContact O-N 2.86Å; T237-V240 PolarHBondContact O-N 3.27Å; T237-V241 WeakPolarHBondContact O-CB 3.19Å; T237-V241 WeakPolarHBondContact O-CG2 3.42Å; T237-V241 PolarHBondContact O-N 3.33Å
238	D	47.3	Very low	44.7	Very low	70 Å²	70	92.4 Å²	92.4	37%	0.374	48%	0.478	S	S	.	.	H	α-helix	trans	-60.8	-39.4	178.7	-65.2	-31.2	0	0	0	112.1	Q234 V241 E242	Q234-D238 WeakPolarHBondContact CG-OD2 3Å; Q234-D238 WeakPolarHBondContact O-CB 3.49Å; Q234-D238 PolarHBondContact O-N 3.27Å; D238-V241 PolarHBondContact O-N 3.44Å; D238-E242 WeakPolarHBondContact O-CB 3.43Å; D238-E242 WeakPolarHBondContact O-CG 3.22Å; D238-E242 PolarHBondContact O-N 3.4Å
239	Y	50.9	Low	46	Very low	181 Å²	181	90 Å²	90	71%	0.71	46%	0.457	S	S	*	.	H	α-helix	trans	-68.5	-42.1	176.5	-178.3	-92	0	0	0	112.8	T235 T237 V241 A243	T235-Y239 WeakPolarHBondContact O-CB 3.36Å; T235-Y239 PolarHBondContact O-N 3.24Å; T237-Y239 VanDerWaalsContact C-N 3.33Å; T237-Y239 PolarHBondContact O-N 2.86Å; Y239-V241 PolarHBondContact O-N 3.46Å; Y239-A243 WeakPolarHBondContact O-CB 3.49Å; Y239-A243 PolarHBondContact O-N 2.81Å
240	V	49.8	Very low	46.8	Very low	55 Å²	55	88 Å²	88	33%	0.333	45%	0.448	S	S	.	.	H	α-helix	trans	-59.5	-37.1	174.4	164.8	0	0	0	0	110.9	S236 T237 V244 F474	S236-V240 WeakPolarHBondContact O-CG2 3.24Å; S236-V240 PolarHBondContact O-N 2.86Å; S236-V240 VanDerWaalsContact O-N 3.15Å; T237-V240 PolarHBondContact O-N 3.27Å; V240-V244 VanDerWaalsContact O-CG2 3.31Å; V240-V244 WeakPolarHBondContact O-CG2 3.35Å; V240-V244 PolarHBondContact O-N 2.81Å; V240-F474 HydrophobicContact CB-CZ 4.39Å; V240-F474 HydrophobicContact CG1-CE1 4.27Å; V240-F474 HydrophobicContact CG1-CZ 3.83Å; V240-F474 HydrophobicContact CG2-CZ 3.88Å
241	V	56.3	Low	47.8	Very low	13 Å²	13	87.3 Å²	87.3	8%	0.079	43%	0.434	C	S	.	.	H	α-helix	trans	-77.3	-49.1	-176.7	170.6	0	0	0	0	111.3	T237 D238 Y239 A243 V244 L245 L278	T237-V241 WeakPolarHBondContact O-CB 3.19Å; T237-V241 WeakPolarHBondContact O-CG2 3.42Å; T237-V241 PolarHBondContact O-N 3.33Å; D238-V241 PolarHBondContact O-N 3.44Å; Y239-V241 PolarHBondContact O-N 3.46Å; V241-A243 PolarHBondContact O-N 2.62Å; V241-V244 CarbonylContact O-C 3.58Å; V241-V244 PolarHBondContact O-N 2.84Å; V241-V244 VanDerWaalsContact O-N 3.09Å; V241-L245 HydrophobicContact CG1-CD1 3.76Å; V241-L245 HydrophobicContact CG1-CG 4.12Å; V241-L245 WeakPolarHBondContact O-CB 3.18Å; V241-L245 VanDerWaalsContact O-CG 3.3Å; V241-L245 WeakPolarHBondContact O-CG 3.17Å; V241-L245 PolarHBondContact O-N 2.93Å; V241-L278 HydrophobicContact CB-CD1 3.85Å; V241-L278 HydrophobicContact CG1-CD1 3.41Å; V241-L278 VanDerWaalsContact CG1-CD1 3.41Å; V241-L278 HydrophobicContact CG2-CD1 3.23Å; V241-L278 HydrophobicContact CG2-CD2 3.44Å; V241-L278 VanDerWaalsContact CG2-CD2 3.44Å; V241-L278 HydrophobicContact CG2-CG 3.88Å
242	E	60.2	Low	48.4	Very low	120 Å²	120	82.2 Å²	82.2	56%	0.561	42%	0.417	S	S	*	.	H	α-helix	trans	-61.4	-34.5	174.1	-74.1	-63.7	118.4	0	0	111	D238 H246	D238-E242 WeakPolarHBondContact O-CB 3.43Å; D238-E242 WeakPolarHBondContact O-CG 3.22Å; D238-E242 PolarHBondContact O-N 3.4Å; E242-H246 WeakPolarHBondContact O-CB 3.13Å; E242-H246 PolarHBondContact O-N 3.2Å
243	A	52.4	Low	48.7	Very low	44 Å²	44	75.9 Å²	75.9	36%	0.364	41%	0.405	S	S	.	.	H	α-helix	trans	-63.3	-42.6	171.6	0	0	0	0	0	112.7	Y239 V241 W247	Y239-A243 WeakPolarHBondContact O-CB 3.49Å; Y239-A243 PolarHBondContact O-N 2.81Å; V241-A243 PolarHBondContact O-N 2.62Å; A243-W247 WeakPolarHBondContact O-CB 3.45Å; A243-W247 PolarHBondContact O-N 2.88Å
244	V	51.3	Low	48.8	Very low	38 Å²	38	78 Å²	78	23%	0.23	42%	0.417	C	S	.	.	H	α-helix	trans	-73.9	-37.4	177.5	171.2	0	0	0	0	112	V240 V241 W247 I248 M274 F474	V240-V244 VanDerWaalsContact O-CG2 3.31Å; V240-V244 WeakPolarHBondContact O-CG2 3.35Å; V240-V244 PolarHBondContact O-N 2.81Å; V241-V244 CarbonylContact O-C 3.58Å; V241-V244 PolarHBondContact O-N 2.84Å; V241-V244 VanDerWaalsContact O-N 3.09Å; V244-W247 WeakPolarHBondContact O-CB 3.44Å; V244-W247 PolarHBondContact O-N 2.8Å; V244-I248 HydrophobicContact CG1-CD1 3.79Å; V244-I248 HydrophobicContact CG1-CG1 4.45Å; V244-I248 WeakPolarHBondContact O-CB 3.43Å; V244-I248 WeakPolarHBondContact O-CD1 3.44Å; V244-I248 WeakPolarHBondContact O-CG1 3.16Å; V244-I248 PolarHBondContact O-N 3.1Å; V244-M274 HydrophobicContact CB-CE 3.95Å; V244-M274 HydrophobicContact CG1-CE 3.58Å; V244-M274 HydrophobicContact CG1-SD 3.79Å; V244-F474 HydrophobicContact CG2-CE1 4.44Å
245	L	54.8	Low	48.8	Very low	7 Å²	7	79.7 Å²	79.7	4%	0.037	43%	0.433	C	S	.	.	H	α-helix	trans	-67	-45.3	175	-70.2	178.1	0	0	0	111.3	V241 W247 I248 E249 K271 M274	V241-L245 HydrophobicContact CG1-CD1 3.76Å; V241-L245 HydrophobicContact CG1-CG 4.12Å; V241-L245 WeakPolarHBondContact O-CB 3.18Å; V241-L245 VanDerWaalsContact O-CG 3.3Å; V241-L245 WeakPolarHBondContact O-CG 3.17Å; V241-L245 PolarHBondContact O-N 2.93Å; L245-W247 VanDerWaalsContact C-N 3.29Å; L245-W247 PolarHBondContact O-N 3.29Å; L245-I248 PolarHBondContact O-N 3.3Å; L245-E249 WeakPolarHBondContact O-CB 3.25Å; L245-E249 WeakPolarHBondContact O-CG 3.31Å; L245-E249 PolarHBondContact O-N 2.83Å; L245-K271 HydrophobicContact CD1-CG 4.23Å; L245-K271 HydrophobicContact CD2-CB 3.93Å; L245-K271 HydrophobicContact CD2-CD 4.23Å; L245-K271 HydrophobicContact CD2-CG 3.74Å; L245-M274 HydrophobicContact CD2-SD 4.46Å
246	H	58	Low	48.5	Very low	136 Å²	136	83.4 Å²	83.4	63%	0.63	46%	0.456	S	S	*	.	H	α-helix	trans	-64.1	-34.2	173.2	-174.4	-77	0	0	0	111.5	E242 S250	E242-H246 WeakPolarHBondContact O-CB 3.13Å; E242-H246 PolarHBondContact O-N 3.2Å; H246-S250 WeakPolarHBondContact O-CB 3.11Å; H246-S250 PolarHBondContact O-N 3.31Å; H246-S250 PolarHBondContact O-OG 2.96Å
247	W	55.9	Low	48.1	Very low	107 Å²	107	84.6 Å²	84.6	41%	0.405	46%	0.464	S	S	.	.	H	α-helix	trans	-64.2	-49.5	171.6	-176.5	76.8	0	0	0	111.4	A243 V244 L245 E249 S250 I251 L481	A243-W247 WeakPolarHBondContact O-CB 3.45Å; A243-W247 PolarHBondContact O-N 2.88Å; V244-W247 WeakPolarHBondContact O-CB 3.44Å; V244-W247 PolarHBondContact O-N 2.8Å; L245-W247 VanDerWaalsContact C-N 3.29Å; L245-W247 PolarHBondContact O-N 3.29Å; W247-E249 PolarHBondContact O-N 2.92Å; W247-S250 PolarHBondContact O-N 3.25Å; W247-S250 PolarHBondContact O-OG 3.35Å; W247-I251 HydrophobicContact CD2-CD1 3.67Å; W247-I251 VanDerWaalsContact CE2-CD1 3.47Å; W247-I251 HydrophobicContact CE3-CD1 3.9Å; W247-I251 HydrophobicContact CG-CD1 4.3Å; W247-I251 HydrophobicContact CH2-CD1 3.7Å; W247-I251 HydrophobicContact CZ2-CD1 3.51Å; W247-I251 HydrophobicContact CZ3-CD1 3.91Å; W247-I251 WeakPolarHBondContact O-CD1 3.29Å; W247-I251 WeakPolarHBondContact O-CG1 3.2Å; W247-I251 PolarHBondContact O-N 2.87Å; W247-L481 HydrophobicContact CH2-CB 3.95Å; W247-L481 HydrophobicContact CH2-CD1 3.57Å; W247-L481 HydrophobicContact CH2-CG 4.2Å; W247-L481 HydrophobicContact CZ2-CB 4.33Å; W247-L481 HydrophobicContact CZ2-CD1 4.31Å; W247-L481 HydrophobicContact CZ3-CD1 3.96Å
248	I	52.2	Low	47.6	Very low	22 Å²	22	90.9 Å²	90.9	11%	0.113	49%	0.491	C	S	.	.	H	α-helix	trans	-58.9	-45.4	175.5	-68.2	158.4	0	0	0	111.3	V244 L245 I251 S252 I267 L270 M274	V244-I248 HydrophobicContact CG1-CD1 3.79Å; V244-I248 HydrophobicContact CG1-CG1 4.45Å; V244-I248 WeakPolarHBondContact O-CB 3.43Å; V244-I248 WeakPolarHBondContact O-CD1 3.44Å; V244-I248 WeakPolarHBondContact O-CG1 3.16Å; V244-I248 PolarHBondContact O-N 3.1Å; L245-I248 PolarHBondContact O-N 3.3Å; I248-I251 PolarHBondContact O-N 3.05Å; I248-S252 PolarHBondContact O-N 3.1Å; I248-I267 HydrophobicContact CG2-CD1 4.4Å; I248-I267 HydrophobicContact CG2-CG1 4.09Å; I248-I267 HydrophobicContact CG2-CG2 3.9Å; I248-L270 HydrophobicContact CD1-CD2 3.61Å; I248-L270 HydrophobicContact CD1-CG 4.03Å; I248-L270 HydrophobicContact CG1-CD2 4.21Å; I248-L270 HydrophobicContact CG2-CD2 4.46Å; I248-M274 HydrophobicContact CD1-SD 4.23Å
249	E	55.9	Low	46.8	Very low	88 Å²	88	92.7 Å²	92.7	41%	0.411	51%	0.506	S	S	.	.	H	α-helix	trans	-69	-32.8	178.6	-72.9	-178.5	-170.7	0	0	112.3	L245 W247 I251 S252 I267 K271	L245-E249 WeakPolarHBondContact O-CB 3.25Å; L245-E249 WeakPolarHBondContact O-CG 3.31Å; L245-E249 PolarHBondContact O-N 2.83Å; W247-E249 PolarHBondContact O-N 2.92Å; E249-I251 PolarHBondContact O-N 2.85Å; E249-S252 WeakPolarHBondContact O-CB 3.16Å; E249-S252 PolarHBondContact O-N 2.65Å; E249-S252 VanDerWaalsContact O-N 3.12Å; E249-I267 HydrophobicContact CG-CG2 4.43Å; E249-K271 IonicContact OE1-NZ 2.61Å; E249-K271 PolarHBondContact OE1-NZ 3.12Å
250	S	49.8	Very low	46	Very low	81 Å²	81	90.7 Å²	90.7	57%	0.566	51%	0.507	S	S	*	.	H	α-helix	trans	-69.2	-19.2	173	75.7	0	0	0	0	114.2	H246 W247	H246-S250 WeakPolarHBondContact O-CB 3.11Å; H246-S250 PolarHBondContact O-N 3.31Å; H246-S250 PolarHBondContact O-OG 2.96Å; W247-S250 PolarHBondContact O-N 3.25Å; W247-S250 PolarHBondContact O-OG 3.35Å
251	I	47.5	Very low	45.3	Very low	102 Å²	102	94.9 Å²	94.9	52%	0.523	53%	0.534	S	S	.	.	H	α-helix	trans	-87.6	-15.2	173.7	-65.6	162.1	0	0	0	111	W247 I248 E249 P253	W247-I251 HydrophobicContact CD2-CD1 3.67Å; W247-I251 VanDerWaalsContact CE2-CD1 3.47Å; W247-I251 HydrophobicContact CE3-CD1 3.9Å; W247-I251 HydrophobicContact CG-CD1 4.3Å; W247-I251 HydrophobicContact CH2-CD1 3.7Å; W247-I251 HydrophobicContact CZ2-CD1 3.51Å; W247-I251 HydrophobicContact CZ3-CD1 3.91Å; W247-I251 WeakPolarHBondContact O-CD1 3.29Å; W247-I251 WeakPolarHBondContact O-CG1 3.2Å; W247-I251 PolarHBondContact O-N 2.87Å; I248-I251 PolarHBondContact O-N 3.05Å; E249-I251 PolarHBondContact O-N 2.85Å; I251-P253 WeakPolarHBondContact O-CD 3.06Å
252	S	40.2	Very low	44	Very low	40 Å²	40	103.1 Å²	103.1	28%	0.28	56%	0.563	S	S	.	*	S	Bend	trans	-78.6	120.9	-179.4	-168.8	0	0	0	0	112.2	I248 E249 N254 I267	I248-S252 PolarHBondContact O-N 3.1Å; E249-S252 WeakPolarHBondContact O-CB 3.16Å; E249-S252 PolarHBondContact O-N 2.65Å; E249-S252 VanDerWaalsContact O-N 3.12Å; S252-N254 PolarHBondContact O-N 3.05Å; S252-I267 WeakPolarHBondContact OG-CD1 3.44Å
253	P	37.6	Very low	43	Very low	97 Å²	97	104.2 Å²	104.2	63%	0.63	57%	0.569	S	S	*	*			trans	-76.4	86.6	-177.3	30.7	-35.1	0	0	0	112.4	I251 T255	I251-P253 WeakPolarHBondContact O-CD 3.06Å; P253-T255 PolarHBondContact O-N 3.2Å
254	N	34.6	Very low	42.4	Very low	151 Å²	151	106.4 Å²	106.4	81%	0.807	57%	0.57	S	S	*	*			trans	-72.4	63.9	173.5	-86	-26.6	0	0	0	113	S252	S252-N254 PolarHBondContact O-N 3.05Å
255	T	37.7	Very low	42.1	Very low	122 Å²	122	106.5 Å²	106.5	75%	0.748	57%	0.57	S	S	*	*			trans	-137.6	122.2	173.4	54.1	0	0	0	0	113.4	P253 S257	P253-T255 PolarHBondContact O-N 3.2Å; T255-S257 PolarHBondContact O-N 3.13Å
256	T	33.7	Very low	42	Very low	148 Å²	148	107 Å²	107	91%	0.908	57%	0.573	S	S	*	*			trans	-77.6	101.6	-172.1	-50.3	0	0	0	0	114.4
257	S	36.9	Very low	41.5	Very low	108 Å²	108	102.7 Å²	102.7	76%	0.755	55%	0.554	S	S	*	*	S	Bend	trans	-176.5	122.9	141.4	48.9	0	0	0	0	114.3	T255	T255-S257 PolarHBondContact O-N 3.13Å
258	E	35.7	Very low	41.4	Very low	179 Å²	179	102.4 Å²	102.4	84%	0.836	56%	0.561	S	S	*	*			trans	51.7	141.8	164.7	-68.2	-69.3	101.3	0	0	120.5
259	P	31.2	Very low	41.7	Very low	108 Å²	108	103.9 Å²	103.9	70%	0.701	57%	0.567	S	S	*	*			trans	-120.6	113.5	-153.1	33.2	-14.3	0	0	0	114.5
260	N	33.4	Very low	41.3	Very low	138 Å²	138	101.3 Å²	101.3	74%	0.738	56%	0.556	S	S	*	*			trans	-119.3	106.2	171.9	-72.1	-53.5	0	0	0	111.9	W262	N260-W262 PolarHBondContact O-N 2.81Å; N260-W262 VanDerWaalsContact O-N 3.12Å
261	T	35.6	Very low	41.4	Very low	144 Å²	144	100 Å²	100	88%	0.883	54%	0.54	S	S	*	.	S	Bend	trans	53.7	32.2	158.5	57.2	0	0	0	0	118.8	E263	T261-E263 PolarHBondContact O-N 2.85Å
262	W	30.4	Very low	42.1	Very low	185 Å²	185	99.3 Å²	99.3	70%	0.701	54%	0.535	S	S	*	.			trans	-83.1	90.9	143.8	-91	-82	0	0	0	109	E201 N260 K264	E201-W262 PolarHBondContact OE1-NE1 3.26Å; N260-W262 PolarHBondContact O-N 2.81Å; N260-W262 VanDerWaalsContact O-N 3.12Å; W262-K264 PolarHBondContact O-N 2.92Å
263	E	38.5	Very low	43.1	Very low	144 Å²	144	99.9 Å²	99.9	67%	0.673	54%	0.536	S	S	*	.			trans	-77.2	62.1	155	-165.6	158.6	-147.9	0	0	108	Q199 P200 T261	Q199-E263 HydrophobicContact CB-CG 4.15Å; Q199-E263 HydrophobicContact CG-CG 4.32Å; P200-E263 CarbonylContact C-O 3.42Å; P200-E263 WeakPolarHBondContact CD-O 3.28Å; P200-E263 VanDerWaalsContact O-O 3.06Å; T261-E263 PolarHBondContact O-N 2.85Å
264	K	39.4	Very low	43.8	Very low	90 Å²	90	97 Å²	97	39%	0.391	52%	0.515	S	S	.	.			trans	4.8	132.9	171.3	-63.5	157.8	63.8	-132.9	0	115.9	Q199 W262 D266	Q199-K264 CarbonylContact C-O 3.5Å; Q199-K264 WeakPolarHBondContact CA-O 3.15Å; Q199-K264 HydrophobicContact CB-CB 4.37Å; Q199-K264 WeakPolarHBondContact CB-O 3.32Å; W262-K264 PolarHBondContact O-N 2.92Å; K264-D266 IonicContact NZ-OD1 2.66Å; K264-D266 PolarHBondContact NZ-OD1 2.73Å; K264-D266 IonicContact NZ-OD2 2.7Å; K264-D266 PolarHBondContact NZ-OD2 3.12Å; K264-D266 PolarHBondContact O-N 3.49Å
265	V	45.2	Very low	45.1	Very low	40 Å²	40	94.2 Å²	94.2	24%	0.242	50%	0.496	C	S	.	.			trans	-67.3	115.7	142.4	-176.3	0	0	0	0	104.7	E201 I267 L270 L498	E201-V265 HydrophobicContact CB-CG2 3.7Å; V265-I267 PolarHBondContact O-N 2.7Å; V265-L270 HydrophobicContact CG1-CD2 4.32Å; V265-L498 HydrophobicContact CG1-CD2 4.5Å; V265-L498 HydrophobicContact CG2-CD2 4.37Å
266	D	52.7	Low	46.3	Very low	17 Å²	17	92.2 Å²	92.2	9%	0.091	48%	0.484	C	S	.	.			trans	-69.3	103.2	-172.3	-153.1	-29.5	0	0	0	109	Q199 K264 N268 E269 L270	Q199-D266 PolarHBondContact NE2-OD2 3.45Å; Q199-D266 PolarHBondContact OE1-OD2 3.28Å; K264-D266 IonicContact NZ-OD1 2.66Å; K264-D266 PolarHBondContact NZ-OD1 2.73Å; K264-D266 IonicContact NZ-OD2 2.7Å; K264-D266 PolarHBondContact NZ-OD2 3.12Å; K264-D266 PolarHBondContact O-N 3.49Å; D266-N268 PolarHBondContact O-N 2.77Å; D266-N268 VanDerWaalsContact O-N 3.1Å; D266-N268 PolarHBondContact OD1-N 2.61Å; D266-N268 PolarHBondContact OD1-ND2 2.83Å; D266-E269 HydrophobicContact CB-CB 4Å; D266-E269 CarbonylContact O-C 3.59Å; D266-E269 WeakPolarHBondContact O-CA 3.37Å; D266-E269 PolarHBondContact O-N 3.34Å; D266-L270 PolarHBondContact O-N 3.34Å
267	I	48.5	Very low	47	Very low	45 Å²	45	87 Å²	87	23%	0.231	45%	0.45	C	S	.	.	H	α-helix	trans	-58.2	-28.5	-177.3	-63.7	176.2	0	0	0	109.6	I248 E249 S252 V265 K271	I248-I267 HydrophobicContact CG2-CD1 4.4Å; I248-I267 HydrophobicContact CG2-CG1 4.09Å; I248-I267 HydrophobicContact CG2-CG2 3.9Å; E249-I267 HydrophobicContact CG-CG2 4.43Å; S252-I267 WeakPolarHBondContact OG-CD1 3.44Å; V265-I267 PolarHBondContact O-N 2.7Å; I267-K271 WeakPolarHBondContact O-CB 3.38Å; I267-K271 PolarHBondContact O-N 3.02Å
268	N	52.2	Low	47.4	Very low	102 Å²	102	82.7 Å²	82.7	55%	0.545	42%	0.418	S	S	.	.	H	α-helix	trans	-69.2	-44.3	171.1	-49.8	-79.5	0	0	0	112.1	D266 K271 E272	D266-N268 PolarHBondContact O-N 2.77Å; D266-N268 VanDerWaalsContact O-N 3.1Å; D266-N268 PolarHBondContact OD1-N 2.61Å; D266-N268 PolarHBondContact OD1-ND2 2.83Å; N268-K271 PolarHBondContact O-N 3.29Å; N268-E272 WeakPolarHBondContact O-CB 3.2Å; N268-E272 VanDerWaalsContact O-CG 3.25Å; N268-E272 WeakPolarHBondContact O-CG 3.47Å; N268-E272 PolarHBondContact O-N 3.35Å
269	E	58.5	Low	48.2	Very low	53 Å²	53	77 Å²	77	25%	0.248	40%	0.402	C	S	.	.	H	α-helix	trans	-64.8	-43.1	174.3	-176	-166.4	-128.2	0	0	111.1	S198 D266 K271 E272 T273 K502	S198-E269 WeakPolarHBondContact CB-OE1 3.11Å; S198-E269 PolarHBondContact OG-OE1 3.04Å; D266-E269 HydrophobicContact CB-CB 4Å; D266-E269 CarbonylContact O-C 3.59Å; D266-E269 WeakPolarHBondContact O-CA 3.37Å; D266-E269 PolarHBondContact O-N 3.34Å; E269-K271 VanDerWaalsContact C-N 3.31Å; E269-K271 PolarHBondContact O-N 3.35Å; E269-E272 PolarHBondContact O-N 2.84Å; E269-T273 HydrophobicContact CG-CG2 4.03Å; E269-T273 WeakPolarHBondContact O-CB 3.43Å; E269-T273 WeakPolarHBondContact O-CG2 3.15Å; E269-T273 PolarHBondContact O-N 2.9Å; E269-T273 PolarHBondContact O-OG1 3.09Å; E269-K502 IonicContact OE2-NZ 2.65Å
270	L	48.7	Very low	48.9	Very low	34 Å²	34	74.3 Å²	74.3	18%	0.178	39%	0.385	C	S	.	.	H	α-helix	trans	-64.7	-39.4	179.3	-170.5	56.8	0	0	0	110.7	I248 V265 D266 T273 M274	I248-L270 HydrophobicContact CD1-CD2 3.61Å; I248-L270 HydrophobicContact CD1-CG 4.03Å; I248-L270 HydrophobicContact CG1-CD2 4.21Å; I248-L270 HydrophobicContact CG2-CD2 4.46Å; V265-L270 HydrophobicContact CG1-CD2 4.32Å; D266-L270 PolarHBondContact O-N 3.34Å; L270-T273 WeakPolarHBondContact CA-OG1 3.44Å; L270-T273 PolarHBondContact O-OG1 2.85Å; L270-M274 VanDerWaalsContact O-CB 3.31Å; L270-M274 WeakPolarHBondContact O-CB 3.3Å; L270-M274 VanDerWaalsContact O-CG 3.28Å; L270-M274 WeakPolarHBondContact O-CG 3.38Å; L270-M274 PolarHBondContact O-N 2.74Å
271	K	51.6	Low	49.3	Very low	53 Å²	53	69.8 Å²	69.8	23%	0.23	37%	0.365	C	S	.	.	H	α-helix	trans	-65.8	-45.4	173.1	-171.2	161.8	-168.1	167.1	0	112.2	L245 E249 I267 N268 E269 K275	L245-K271 HydrophobicContact CD1-CG 4.23Å; L245-K271 HydrophobicContact CD2-CB 3.93Å; L245-K271 HydrophobicContact CD2-CD 4.23Å; L245-K271 HydrophobicContact CD2-CG 3.74Å; E249-K271 IonicContact OE1-NZ 2.61Å; E249-K271 PolarHBondContact OE1-NZ 3.12Å; I267-K271 WeakPolarHBondContact O-CB 3.38Å; I267-K271 PolarHBondContact O-N 3.02Å; N268-K271 PolarHBondContact O-N 3.29Å; E269-K271 VanDerWaalsContact C-N 3.31Å; E269-K271 PolarHBondContact O-N 3.35Å; K271-K275 HydrophobicContact CG-CD 4.33Å; K271-K275 VanDerWaalsContact O-CB 3.3Å; K271-K275 WeakPolarHBondContact O-CB 3.21Å; K271-K275 WeakPolarHBondContact O-CD 3.5Å; K271-K275 WeakPolarHBondContact O-CG 3.46Å; K271-K275 PolarHBondContact O-N 2.78Å
272	E	62.8	Low	49.6	Very low	88 Å²	88	65.8 Å²	65.8	41%	0.411	34%	0.338	S	S	.	.	H	α-helix	trans	-71.5	-34.2	177.3	-65.7	-25.2	107.2	0	0	113	N268 E269 K275 T276	N268-E272 WeakPolarHBondContact O-CB 3.2Å; N268-E272 VanDerWaalsContact O-CG 3.25Å; N268-E272 WeakPolarHBondContact O-CG 3.47Å; N268-E272 PolarHBondContact O-N 3.35Å; E269-E272 PolarHBondContact O-N 2.84Å; E272-K275 IonicContact OE1-NZ 3.4Å; E272-K275 PolarHBondContact OE1-NZ 2.84Å; E272-K275 WeakPolarHBondContact OE2-CD 3.44Å; E272-K275 IonicContact OE2-NZ 2.99Å; E272-K275 PolarHBondContact OE2-NZ 2.55Å; E272-T276 VanDerWaalsContact O-CB 3.25Å; E272-T276 WeakPolarHBondContact O-CB 3.41Å; E272-T276 PolarHBondContact O-N 3.43Å; E272-T276 PolarHBondContact O-OG1 3.45Å
273	T	59.6	Low	49.8	Very low	51 Å²	51	62 Å²	62	31%	0.313	34%	0.336	S	S	.	.	H	α-helix	trans	-72.2	-39.2	174.9	49.1	0	0	0	0	111.4	E269 L270 T276 L277	E269-T273 HydrophobicContact CG-CG2 4.03Å; E269-T273 WeakPolarHBondContact O-CB 3.43Å; E269-T273 WeakPolarHBondContact O-CG2 3.15Å; E269-T273 PolarHBondContact O-N 2.9Å; E269-T273 PolarHBondContact O-OG1 3.09Å; L270-T273 WeakPolarHBondContact CA-OG1 3.44Å; L270-T273 PolarHBondContact O-OG1 2.85Å; T273-T276 PolarHBondContact O-N 2.94Å; T273-L277 WeakPolarHBondContact O-CB 3.39Å; T273-L277 WeakPolarHBondContact O-CD1 3.3Å; T273-L277 VanDerWaalsContact O-CG 3.29Å; T273-L277 WeakPolarHBondContact O-CG 3.18Å; T273-L277 PolarHBondContact O-N 3.22Å
274	M	52.3	Low	49.5	Very low	36 Å²	36	64.5 Å²	64.5	18%	0.177	34%	0.344	C	S	.	.	H	α-helix	trans	-62.4	-50.5	168.8	-74.3	-172.5	73	0	0	111.7	V244 L245 I248 L270 T276 L277 L278	V244-M274 HydrophobicContact CB-CE 3.95Å; V244-M274 HydrophobicContact CG1-CE 3.58Å; V244-M274 HydrophobicContact CG1-SD 3.79Å; L245-M274 HydrophobicContact CD2-SD 4.46Å; I248-M274 HydrophobicContact CD1-SD 4.23Å; L270-M274 VanDerWaalsContact O-CB 3.31Å; L270-M274 WeakPolarHBondContact O-CB 3.3Å; L270-M274 VanDerWaalsContact O-CG 3.28Å; L270-M274 WeakPolarHBondContact O-CG 3.38Å; L270-M274 PolarHBondContact O-N 2.74Å; M274-T276 PolarHBondContact O-N 2.84Å; M274-L277 WeakPolarHBondContact O-CB 3.28Å; M274-L277 PolarHBondContact O-N 2.7Å; M274-L278 WeakPolarHBondContact O-CD1 3.43Å; M274-L278 WeakPolarHBondContact O-CG 3.33Å; M274-L278 PolarHBondContact O-N 2.74Å
275	K	63.4	Low	49.2	Very low	93 Å²	93	67.9 Å²	67.9	40%	0.404	36%	0.362	S	S	.	.	H	α-helix	trans	-53.5	-39.7	172.5	-77	163.5	167.8	179.3	0	112.7	K271 E272 L278 A279	K271-K275 HydrophobicContact CG-CD 4.33Å; K271-K275 VanDerWaalsContact O-CB 3.3Å; K271-K275 WeakPolarHBondContact O-CB 3.21Å; K271-K275 WeakPolarHBondContact O-CD 3.5Å; K271-K275 WeakPolarHBondContact O-CG 3.46Å; K271-K275 PolarHBondContact O-N 2.78Å; E272-K275 IonicContact OE1-NZ 3.4Å; E272-K275 PolarHBondContact OE1-NZ 2.84Å; E272-K275 WeakPolarHBondContact OE2-CD 3.44Å; E272-K275 IonicContact OE2-NZ 2.99Å; E272-K275 PolarHBondContact OE2-NZ 2.55Å; K275-L278 PolarHBondContact O-N 2.8Å; K275-A279 WeakPolarHBondContact O-CB 3.31Å; K275-A279 PolarHBondContact O-N 3.31Å
276	T	62.3	Low	48.5	Very low	81 Å²	81	69.1 Å²	69.1	50%	0.497	38%	0.383	S	S	.	.	H	α-helix	trans	-68.7	-46.6	178.9	-59.5	0	0	0	0	110.9	E272 T273 M274 L278 A279 S280	E272-T276 VanDerWaalsContact O-CB 3.25Å; E272-T276 WeakPolarHBondContact O-CB 3.41Å; E272-T276 PolarHBondContact O-N 3.43Å; E272-T276 PolarHBondContact O-OG1 3.45Å; T273-T276 PolarHBondContact O-N 2.94Å; M274-T276 PolarHBondContact O-N 2.84Å; T276-L278 PolarHBondContact O-N 2.96Å; T276-A279 PolarHBondContact O-N 2.89Å; T276-S280 WeakPolarHBondContact O-CB 3.25Å; T276-S280 PolarHBondContact O-N 3.11Å; T276-S280 PolarHBondContact O-OG 2.67Å
277	L	48.2	Very low	47.4	Very low	37 Å²	37	76.7 Å²	76.7	19%	0.194	42%	0.423	C	S	.	.	H	α-helix	trans	-54.5	-35.3	173.6	-78.1	158.9	0	0	0	112	T273 M274 S280 S281 M509 Y510	T273-L277 WeakPolarHBondContact O-CB 3.39Å; T273-L277 WeakPolarHBondContact O-CD1 3.3Å; T273-L277 VanDerWaalsContact O-CG 3.29Å; T273-L277 WeakPolarHBondContact O-CG 3.18Å; T273-L277 PolarHBondContact O-N 3.22Å; M274-L277 WeakPolarHBondContact O-CB 3.28Å; M274-L277 PolarHBondContact O-N 2.7Å; L277-S280 VanDerWaalsContact C-OG 3.31Å; L277-S280 WeakPolarHBondContact CA-OG 3.03Å; L277-S280 PolarHBondContact O-OG 2.72Å; L277-S281 PolarHBondContact O-N 2.99Å; L277-S281 PolarHBondContact O-OG 3.4Å; L277-M509 HydrophobicContact CD2-CB 4.2Å; L277-Y510 HydrophobicContact CD2-CD2 4.17Å; L277-Y510 HydrophobicContact CD2-CE2 3.37Å
278	L	45.5	Very low	46.5	Very low	19 Å²	19	83.2 Å²	83.2	10%	0.099	45%	0.446	C	S	.	.	H	α-helix	trans	-81	-42.2	179.1	-62.9	157.3	0	0	0	112.5	V241 M274 K275 T276 S280 S281 N282	V241-L278 HydrophobicContact CB-CD1 3.85Å; V241-L278 HydrophobicContact CG1-CD1 3.41Å; V241-L278 VanDerWaalsContact CG1-CD1 3.41Å; V241-L278 HydrophobicContact CG2-CD1 3.23Å; V241-L278 HydrophobicContact CG2-CD2 3.44Å; V241-L278 VanDerWaalsContact CG2-CD2 3.44Å; V241-L278 HydrophobicContact CG2-CG 3.88Å; M274-L278 WeakPolarHBondContact O-CD1 3.43Å; M274-L278 WeakPolarHBondContact O-CG 3.33Å; M274-L278 PolarHBondContact O-N 2.74Å; K275-L278 PolarHBondContact O-N 2.8Å; T276-L278 PolarHBondContact O-N 2.96Å; L278-S280 PolarHBondContact O-N 2.79Å; L278-S281 WeakPolarHBondContact CA-OG 3.35Å; L278-S281 PolarHBondContact O-N 3.21Å; L278-S281 VanDerWaalsContact O-N 3.08Å; L278-S281 PolarHBondContact O-OG 3.46Å; L278-N282 VanDerWaalsContact O-CB 3.28Å; L278-N282 WeakPolarHBondContact O-CB 3.39Å; L278-N282 PolarHBondContact O-N 3.36Å
279	A	51.6	Low	45.5	Very low	60 Å²	60	83.9 Å²	83.9	50%	0.496	45%	0.454	S	S	.	.	H	α-helix	trans	-58.5	-34.7	171.1	0	0	0	0	0	111.1	K275 T276 T283	K275-A279 WeakPolarHBondContact O-CB 3.31Å; K275-A279 PolarHBondContact O-N 3.31Å; T276-A279 PolarHBondContact O-N 2.89Å; A279-T283 WeakPolarHBondContact O-CG2 3.08Å; A279-T283 PolarHBondContact O-OG1 2.82Å
280	S	46.4	Very low	44.3	Very low	50 Å²	50	88.6 Å²	88.6	35%	0.35	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-11.5	175.2	58.4	0	0	0	0	115.6	T276 L277 L278 Y510	T276-S280 WeakPolarHBondContact O-CB 3.25Å; T276-S280 PolarHBondContact O-N 3.11Å; T276-S280 PolarHBondContact O-OG 2.67Å; L277-S280 VanDerWaalsContact C-OG 3.31Å; L277-S280 WeakPolarHBondContact CA-OG 3.03Å; L277-S280 PolarHBondContact O-OG 2.72Å; L278-S280 PolarHBondContact O-N 2.79Å; S280-Y510 WeakPolarHBondContact OG-CE1 3.39Å; S280-Y510 PolarHBondContact OG-OH 3.33Å
281	S	43	Very low	43.5	Very low	44 Å²	44	92.1 Å²	92.1	31%	0.308	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-24.8	175.3	43.1	0	0	0	0	113.2	L277 L278 T283	L277-S281 PolarHBondContact O-N 2.99Å; L277-S281 PolarHBondContact O-OG 3.4Å; L278-S281 WeakPolarHBondContact CA-OG 3.35Å; L278-S281 PolarHBondContact O-N 3.21Å; L278-S281 VanDerWaalsContact O-N 3.08Å; L278-S281 PolarHBondContact O-OG 3.46Å; S281-T283 VanDerWaalsContact C-N 3.27Å; S281-T283 PolarHBondContact O-N 3.21Å
282	N	40.6	Very low	42.3	Very low	60 Å²	60	95.8 Å²	95.8	32%	0.321	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	3.3	172.6	-70	-11.4	0	0	0	113.4	Q234 L278	Q234-N282 PolarHBondContact NE2-ND2 3.38Å; L278-N282 VanDerWaalsContact O-CB 3.28Å; L278-N282 WeakPolarHBondContact O-CB 3.39Å; L278-N282 PolarHBondContact O-N 3.36Å
283	T	35.8	Very low	40.8	Very low	106 Å²	106	96.4 Å²	96.4	65%	0.65	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	25.7	178.2	45	0	0	0	0	113.9	A279 S281	A279-T283 WeakPolarHBondContact O-CG2 3.08Å; A279-T283 PolarHBondContact O-OG1 2.82Å; S281-T283 VanDerWaalsContact C-N 3.27Å; S281-T283 PolarHBondContact O-N 3.21Å
284	F	31	Very low	39.5	Very low	195 Å²	195	100.9 Å²	100.9	86%	0.855	56%	0.557	S	S	*	*	S	Bend	trans	-137.1	27	-177.5	-133.6	-88.9	0	0	0	115.2
285	E	33.1	Very low	38.4	Very low	161 Å²	161	107 Å²	107	75%	0.752	59%	0.591	S	S	*	*	S	Bend	trans	-150.1	133.7	169.6	-143.9	174.1	-142.4	0	0	110.6	N233	N233-E285 PolarHBondContact ND2-OE2 3.31Å
286	G	30.8	Very low	36.7	Very low	67 Å²	67	111.8 Å²	111.8	69%	0.691	61%	0.606	S	S	*	*			trans	106.9	9.9	151.7	0	0	0	0	0	121.8	Y288	G286-Y288 PolarHBondContact O-N 2.81Å
287	D	30.3	Very low	35.3	Very low	175 Å²	175	112.7 Å²	112.7	94%	0.936	61%	0.614	S	S	*	*			trans	-80.3	71.1	171.3	-150.6	2.5	0	0	0	111.1
288	Y	29.4	Very low	34.4	Very low	182 Å²	182	118.8 Å²	118.8	71%	0.714	64%	0.641	S	S	*	*			trans	-146.2	76.3	-177.4	-155	-79	0	0	0	111.6	G286	G286-Y288 PolarHBondContact O-N 2.81Å
289	V	31.4	Very low	33.7	Very low	117 Å²	117	124.6 Å²	124.6	71%	0.709	67%	0.671	S	S	*	*			trans	-138.1	146.8	173	-169.2	0	0	0	0	110.6
290	Q	33	Very low	32.6	Very low	152 Å²	152	127.5 Å²	127.5	71%	0.71	69%	0.685	S	S	*	*			trans	87.7	125	165	-135.8	77.5	27.9	0	0	117.9
291	D	30.7	Very low	32	Very low	107 Å²	107	131.7 Å²	131.7	57%	0.572	71%	0.709	S	S	*	*			trans	79	88.5	151	-142.4	8.1	0	0	0	120.1	Y621	D291-Y621 HydrophobicContact CB-CE2 4.04Å; D291-Y621 VanDerWaalsContact CB-OH 3.25Å; D291-Y621 WeakPolarHBondContact CB-OH 3.37Å
292	C	27	Very low	31.4	Very low	130 Å²	130	140.3 Å²	140.3	88%	0.878	74%	0.736	S	S	*	*				-151	144.4	116.8	-130.9	0	0	0	0	111
293	S	30.7	Very low	30.9	Very low	102 Å²	102	142.4 Å²	142.4	71%	0.713	76%	0.755	S	S	*	*			trans	-88.9	177.1	172.2	-62.1	0	0	0	0	110.1
294	E	33.1	Very low	30.9	Very low	145 Å²	145	142.7 Å²	142.7	68%	0.678	76%	0.759	S	S	*	*			cis	-138.5	138.7	12.8	-61.4	169.8	79.9	0	0	111.1	R296	E294-R296 HydrophobicContact CB-CB 4.35Å; E294-R296 WeakPolarHBondContact OE1-CD 3.25Å; E294-R296 IonicContact OE1-NE 3.58Å
295	D	29.3	Very low	30.8	Very low	164 Å²	164	138.2 Å²	138.2	88%	0.877	75%	0.752	S	S	*	*			trans	-87.4	98.5	149.2	-170.7	-13	0	0	0	106.9	P297	D295-P297 WeakPolarHBondContact O-CD 3.17Å
296	R	28.5	Very low	30.6	Very low	193 Å²	193	140.2 Å²	140.2	73%	0.728	75%	0.754	S	S	*	*			trans	-86.9	115.9	-168.5	-160.2	170.4	-165.8	-95.1	-0.3	110.8	E294	E294-R296 HydrophobicContact CB-CB 4.35Å; E294-R296 WeakPolarHBondContact OE1-CD 3.25Å; E294-R296 IonicContact OE1-NE 3.58Å
297	P	32.2	Very low	30.5	Very low	101 Å²	101	144.2 Å²	144.2	66%	0.656	75%	0.752	S	S	*	*			trans	-85.7	177.6	-163	36.4	-39.8	0	0	0	113.3	D295	D295-P297 WeakPolarHBondContact O-CD 3.17Å
298	Q	29.8	Very low	30.5	Very low	165 Å²	165	142.2 Å²	142.2	77%	0.771	74%	0.737	S	S	*	*			trans	157.4	132.3	142.5	-74.9	-110.3	-8	0	0	108
299	L	29.7	Very low	30.7	Very low	140 Å²	140	140.6 Å²	140.6	73%	0.733	74%	0.736	S	S	*	*			cis	-137.3	149.5	4.8	-75.4	104.5	0	0	0	112.5
300	P	29.6	Very low	30.8	Very low	121 Å²	121	138.5 Å²	138.5	79%	0.786	73%	0.731	S	S	*	*			trans	-103.1	129.4	165.1	35.4	-27	0	0	0	112.5
301	V	32.8	Very low	31	Very low	139 Å²	139	138.6 Å²	138.6	84%	0.842	73%	0.731	S	S	*	*			trans	-136.8	141.8	161.9	-176.3	0	0	0	0	110.7
302	Y	31	Very low	31.1	Very low	225 Å²	225	142 Å²	142	88%	0.882	74%	0.742	S	S	*	*			trans	-60	159.8	-174.5	-98.2	-126.8	0	0	0	117.1
303	S	29.4	Very low	31.3	Very low	103 Å²	103	140.5 Å²	140.5	72%	0.72	73%	0.732	S	S	*	*			trans	-55.8	-178.8	156.5	-20.6	0	0	0	0	113.6
304	P	35.9	Very low	31.6	Very low	112 Å²	112	140.1 Å²	140.1	73%	0.727	74%	0.735	S	S	*	*			cis	-138.7	-169.5	-2.2	38	-17.3	0	0	0	115.4
305	S	30.2	Very low	31.8	Very low	101 Å²	101	141 Å²	141	71%	0.706	74%	0.743	S	S	*	*			trans	99.3	131.6	136	75.1	0	0	0	0	122.8
306	Y	26.9	Very low	32.1	Very low	204 Å²	204	140.8 Å²	140.8	80%	0.8	74%	0.736	S	S	*	*			trans	84.7	128.3	141.1	-99.7	-115.8	0	0	0	123.7
307	F	29.4	Very low	32.6	Very low	151 Å²	151	136.9 Å²	136.9	66%	0.662	73%	0.734	S	S	*	*			trans	67.5	122.1	153.4	-91.1	-132.1	0	0	0	117.9
308	E	31.6	Very low	33	Very low	132 Å²	132	135.9 Å²	135.9	62%	0.617	73%	0.73	S	S	*	*				72.5	139.6	87.4	-70.8	-147.1	128.2	0	0	113.3
309	Q	33.6	Very low	33.4	Very low	149 Å²	149	133.1 Å²	133.1	70%	0.696	73%	0.729	S	S	*	*			cis	-150.8	171.4	8.9	-132.4	169.5	32.1	0	0	111.3
310	A	33.1	Very low	33.8	Very low	72 Å²	72	134.3 Å²	134.3	60%	0.595	73%	0.731	S	S	*	*			trans	2.3	149.6	160.6	0	0	0	0	0	120.7
311	H	35.7	Very low	34.2	Very low	155 Å²	155	134.3 Å²	134.3	72%	0.718	73%	0.728	S	S	*	*				-172.4	138.5	68.4	-95.1	-96.1	0	0	0	113.8
312	F	32.9	Very low	34.5	Very low	179 Å²	179	132.4 Å²	132.4	79%	0.785	72%	0.721	S	S	*	*			trans	59.4	164.7	137.4	-75.6	-125.7	0	0	0	120.6
313	S	31.8	Very low	35	Very low	98 Å²	98	130 Å²	130	69%	0.685	72%	0.72	S	S	*	*			cis	174.4	111	-40.8	-91.8	0	0	0	0	109.5
314	A	37	Very low	35.5	Very low	93 Å²	93	130.8 Å²	130.8	77%	0.769	72%	0.723	S	S	*	*			trans	-163.7	133.8	159.1	0	0	0	0	0	107.6
315	I	36.8	Very low	35.4	Very low	164 Å²	164	130.2 Å²	130.2	84%	0.841	72%	0.721	S	S	*	*			cis	79.3	106.3	38.2	-57.6	171.2	0	0	0	111.3
316	E	37.5	Very low	35.5	Very low	159 Å²	159	131.4 Å²	131.4	74%	0.743	72%	0.724	S	S	*	*			cis	-136.1	-96.9	-10.9	-175	-158	-83.8	0	0	112.6	S318	E316-S318 PolarHBondContact OE2-N 3.11Å
317	T	38.9	Very low	35.8	Very low	112 Å²	112	126.1 Å²	126.1	69%	0.687	72%	0.718	S	S	*	*			cis	-154.3	131	-2.4	-35.1	0	0	0	0	112.1
318	S	39.1	Very low	35.9	Very low	80 Å²	80	123.8 Å²	123.8	56%	0.559	72%	0.72	S	S	*	*			trans	40.3	106.8	151.5	69.7	0	0	0	0	120.1	E316	E316-S318 PolarHBondContact OE2-N 3.11Å
319	S	39	Very low	35.9	Very low	107 Å²	107	124.2 Å²	124.2	75%	0.748	73%	0.726	S	S	*	*				97.2	152.6	84.5	73.2	0	0	0	0	112.3
320	E	38.4	Very low	35.8	Very low	165 Å²	165	123 Å²	123	77%	0.771	73%	0.729	S	S	*	*			cis	-137.5	141	23.3	-78.7	-167.4	99.9	0	0	111.3
321	T	37.5	Very low	35.7	Very low	121 Å²	121	123.7 Å²	123.7	74%	0.742	73%	0.729	S	S	*	*				70.8	125.2	94.2	-44.6	0	0	0	0	113.6
322	S	38.6	Very low	35.5	Very low	98 Å²	98	123.6 Å²	123.6	69%	0.685	73%	0.733	S	S	*	*			cis	-163.1	155	-6.6	48.6	0	0	0	0	111.5
323	M	41.9	Very low	35.3	Very low	176 Å²	176	119.3 Å²	119.3	87%	0.867	72%	0.724	S	S	*	*			trans	-82.4	157.1	156.2	-75.9	-76.6	147.2	0	0	110.3
324	P	39.6	Very low	35.6	Very low	119 Å²	119	120 Å²	120	77%	0.773	72%	0.72	S	S	*	*				-133.2	150.6	112.3	37.5	-30.6	0	0	0	114.2
325	S	34.3	Very low	35.3	Very low	100 Å²	100	123 Å²	123	70%	0.699	72%	0.715	S	S	*	*			trans	-82.6	147	167.9	55.3	0	0	0	0	111.8
326	T	32.9	Very low	35.1	Very low	125 Å²	125	118.4 Å²	118.4	77%	0.767	70%	0.698	S	S	*	*				-177.6	164.7	107.6	30.8	0	0	0	0	111.9
327	S	31.6	Very low	34.8	Very low	94 Å²	94	117.7 Å²	117.7	66%	0.657	70%	0.7	S	S	*	*			trans	41.7	106.7	151.3	54.9	0	0	0	0	117.8
328	S	33	Very low	34.3	Very low	102 Å²	102	119.3 Å²	119.3	71%	0.713	70%	0.703	S	S	*	*				64.1	140.7	87.9	86.3	0	0	0	0	113.7
329	N	31.6	Very low	34	Very low	140 Å²	140	121 Å²	121	75%	0.749	71%	0.71	S	S	*	*			cis	-166.3	179.5	25.6	-144	-25	0	0	0	108.6
330	V	30.4	Very low	33.7	Very low	125 Å²	125	121.9 Å²	121.9	76%	0.758	71%	0.711	S	S	*	*			trans	65.9	126.8	153.7	163.1	0	0	0	0	115.8
331	S	30.5	Very low	33.5	Very low	85 Å²	85	119.4 Å²	119.4	59%	0.594	71%	0.707	S	S	*	*			cis	-174.8	159.7	5.9	-120	0	0	0	0	113.1
332	L	31.7	Very low	33.2	Very low	154 Å²	154	119.7 Å²	119.7	81%	0.806	70%	0.704	S	S	*	*			trans	66.7	155.8	151.6	-60.2	163.4	0	0	0	115.3
333	C	30.2	Very low	33	Very low	88 Å²	88	123.9 Å²	123.9	60%	0.595	71%	0.705	S	S	*	*			cis	-158.4	155.5	1.5	-128.9	0	0	0	0	106.9
334	L	36.5	Very low	32.6	Very low	114 Å²	114	122 Å²	122	60%	0.597	69%	0.694	S	S	*	*			cis	-133.1	144.6	5.1	-82.3	95.9	0	0	0	109.5	L663	L334-L663 HydrophobicContact CD2-CD1 4.38Å
335	K	31.5	Very low	32.4	Very low	154 Å²	154	122.1 Å²	122.1	67%	0.67	69%	0.692	S	S	*	*				50.5	136	102.8	-43.7	-173.6	-161	169.5	0	116.3
336	S	31.9	Very low	32.4	Very low	69 Å²	69	122.1 Å²	122.1	48%	0.483	69%	0.688	S	S	.	*			cis	-171.7	148.7	-1.2	35.5	0	0	0	0	113.8
337	N	30.9	Very low	32.6	Very low	144 Å²	144	122.4 Å²	122.4	77%	0.77	69%	0.689	S	S	*	*				17.3	144.4	126.4	-56.4	-6.9	0	0	0	119.6
338	L	30.1	Very low	32.7	Very low	145 Å²	145	121.4 Å²	121.4	76%	0.759	68%	0.682	S	S	*	*			cis	-167.4	156.1	3.1	-142.4	77.9	0	0	0	112.8
339	V	31.8	Very low	32.9	Very low	117 Å²	117	122.1 Å²	122.1	71%	0.709	68%	0.678	S	S	*	*			trans	29.1	134.4	143.6	167.7	0	0	0	0	121.8
340	T	32.4	Very low	33.1	Very low	125 Å²	125	124 Å²	124	77%	0.767	68%	0.676	S	S	*	*			cis	98.8	138.5	18.5	-58.5	0	0	0	0	115.3
341	V	34.4	Very low	33.5	Very low	112 Å²	112	124.8 Å²	124.8	68%	0.679	67%	0.671	S	S	*	*			cis	-171.6	171.7	-27.8	73	0	0	0	0	110.4
342	N	32.2	Very low	33.9	Very low	128 Å²	128	123.2 Å²	123.2	68%	0.684	66%	0.66	S	S	*	*			trans	72.6	160	167.1	-68.4	-18.5	0	0	0	118.9
343	R	33.7	Very low	34.2	Very low	186 Å²	186	118.9 Å²	118.9	70%	0.702	64%	0.64	S	S	*	*			cis	-164.9	151.6	-15.8	-108.2	169.9	110.5	155.5	1.8	113.1
344	E	33.6	Very low	34.6	Very low	136 Å²	136	123.7 Å²	123.7	64%	0.636	65%	0.646	S	S	*	*			trans	69.1	103.7	138.6	-72	164.9	174	0	0	128.3
345	T	34.5	Very low	34.7	Very low	122 Å²	122	126 Å²	126	75%	0.748	65%	0.651	S	S	*	*				82.2	140.5	116	-18.9	0	0	0	0	127.6
346	V	35.9	Very low	35	Very low	100 Å²	100	125.8 Å²	125.8	61%	0.606	66%	0.655	S	S	*	*			trans	107.2	101.1	146.2	-177.6	0	0	0	0	123.3
347	V	35.9	Very low	35.2	Very low	130 Å²	130	125.3 Å²	125.3	79%	0.788	65%	0.649	S	S	*	*				58.7	142.5	127.8	174.1	0	0	0	0	122.6
348	S	34.6	Very low	35.5	Very low	73 Å²	73	120.6 Å²	120.6	51%	0.51	63%	0.627	S	S	.	*			cis	-179	164.5	-16.2	65.3	0	0	0	0	116.3
349	N	36.2	Very low	35.7	Very low	117 Å²	117	119.7 Å²	119.7	63%	0.626	62%	0.619	S	S	*	*			trans	94.1	123.5	140.3	-71.1	-14.2	0	0	0	128.1
350	Y	37	Very low	36.2	Very low	181 Å²	181	118.8 Å²	118.8	71%	0.71	62%	0.615	S	S	*	*				92.1	114.4	127.7	-88.4	-129	0	0	0	127.6
351	Q	38.8	Very low	36.7	Very low	141 Å²	141	120.2 Å²	120.2	66%	0.659	61%	0.613	S	S	*	*				118.1	96.5	100	-167.9	178.8	76.7	0	0	126.3	D214	D214-Q351 VanDerWaalsContact OD1-C 3.32Å
352	S	37.4	Very low	36.7	Very low	52 Å²	52	120 Å²	120	36%	0.364	61%	0.605	S	S	.	*				70.7	149.9	117.4	-158.2	0	0	0	0	129	E213 D214	E213-S352 VanDerWaalsContact OE2-CA 3.28Å; E213-S352 WeakPolarHBondContact OE2-CA 3.37Å; E213-S352 WeakPolarHBondContact OE2-CB 3.44Å; E213-S352 PolarHBondContact OE2-OG 3.43Å; D214-S352 PolarHBondContact OD1-N 2.99Å; D214-S352 PolarHBondContact OD2-N 3.4Å
353	T	39.5	Very low	37	Very low	62 Å²	62	118.9 Å²	118.9	38%	0.38	60%	0.595	S	S	.	*			trans	104.1	168.3	150	75.2	0	0	0	0	122.4	E213	E213-T353 VanDerWaalsContact CD-CA 3.49Å; E213-T353 WeakPolarHBondContact OE1-CA 3.41Å; E213-T353 PolarHBondContact OE1-N 2.96Å; E213-T353 PolarHBondContact OE2-N 3.3Å
354	R	37.8	Very low	37.2	Very low	189 Å²	189	115 Å²	115	71%	0.713	59%	0.585	S	S	*	*			cis	-172.1	153.2	12.6	-129.2	157.9	-151	125.2	-9.3	116.8
355	F	38.1	Very low	37.4	Very low	163 Å²	163	113.4 Å²	113.4	72%	0.715	58%	0.578	S	S	*	*			trans	73.6	156.6	152.8	-71.3	-49.3	0	0	0	124.9
356	M	38.4	Very low	37.7	Very low	150 Å²	150	111.1 Å²	111.1	74%	0.739	56%	0.561	S	S	*	*			cis	-144.3	167.2	39.4	-84.6	-67.4	174.5	0	0	119.2
357	T	36.5	Very low	37.8	Very low	58 Å²	58	113 Å²	113	36%	0.356	56%	0.561	S	S	.	*			trans	-74.7	176.4	-168	32	0	0	0	0	120.1	N767	T357-N767 PolarHBondContact O-N 2.86Å
358	S	37.1	Very low	37.8	Very low	45 Å²	45	110.7 Å²	110.7	32%	0.315	55%	0.551	S	S	.	*			cis	-175.2	-166	-10.1	52.5	0	0	0	0	109.8	R768	S358-R768 VanDerWaalsContact OG-CD 3.27Å; S358-R768 WeakPolarHBondContact OG-CD 2.9Å; S358-R768 WeakPolarHBondContact OG-CG 3.02Å
359	E	35	Very low	37.9	Very low	127 Å²	127	113.8 Å²	113.8	59%	0.593	56%	0.557	S	S	*	*			cis	-153.1	-73.1	3.5	-161.8	-174.3	172.4	0	0	120.9	R768	E359-R768 IonicContact OE1-CZ 3.24Å; E359-R768 IonicContact OE1-NE 3.88Å; E359-R768 IonicContact OE1-NH2 3.04Å; E359-R768 PolarHBondContact OE1-NH2 3.4Å; E359-R768 IonicContact OE2-CZ 3.32Å; E359-R768 VanDerWaalsContact OE2-CZ 3.24Å; E359-R768 IonicContact OE2-NE 2.7Å; E359-R768 PolarHBondContact OE2-NE 3.36Å; E359-R768 IonicContact OE2-NH2 3.73Å; E359-R768 PolarHBondContact OE2-NH2 2.7Å
360	P	41.5	Very low	37.9	Very low	97 Å²	97	116 Å²	116	63%	0.63	56%	0.558	S	S	*	*				-130.2	-179	-122.1	39.7	-25.5	0	0	0	120.5
361	Q	41.8	Very low	37.7	Very low	155 Å²	155	110 Å²	110	72%	0.724	54%	0.541	S	S	*	.			trans	131.3	168.5	154.3	-67	-166.6	2	0	0	118.4	T718	Q361-T718 WeakPolarHBondContact O-CB 3.34Å; Q361-T718 PolarHBondContact O-OG1 2.86Å
362	Q	35.6	Very low	37.4	Very low	107 Å²	107	110.9 Å²	110.9	50%	0.5	54%	0.544	S	S	.	.			trans	-160.5	-178.6	-153.5	-93.2	-163.5	-26.9	0	0	112	T718	Q362-T718 HydrophobicContact CG-CG2 4.04Å; Q362-T718 PolarHBondContact NE2-O 3.26Å
363	Q	38.4	Very low	37.2	Very low	105 Å²	105	114.2 Å²	114.2	49%	0.491	57%	0.567	S	S	.	*			cis	-169.4	178.8	-4.2	-111.8	-165.8	83.2	0	0	107
364	Q	37.6	Very low	37.2	Very low	104 Å²	104	118.1 Å²	118.1	49%	0.486	59%	0.585	S	S	.	*			cis	-174.7	156	-28.6	172.3	160.4	-57.2	0	0	113.6
365	Q	38.3	Very low	37.1	Very low	103 Å²	103	114.2 Å²	114.2	48%	0.481	59%	0.585	S	S	.	*			trans	68.7	171.2	167.4	-85.3	168.8	-105.9	0	0	118.3
366	D	39.5	Very low	37	Very low	75 Å²	75	111.3 Å²	111.3	40%	0.401	58%	0.584	S	S	.	*			cis	-156.1	173.3	5.2	-129.9	15.7	0	0	0	107.8	L709	D366-L709 WeakPolarHBondContact OD2-CD2 3.46Å
367	K	38.1	Very low	36.7	Very low	140 Å²	140	109.2 Å²	109.2	61%	0.609	58%	0.584	S	S	*	*			cis	-166.1	-169.5	-11.2	-130.8	-179.5	-158.8	71.7	0	106.5
368	S	36.4	Very low	36.7	Very low	80 Å²	80	112.8 Å²	112.8	56%	0.559	61%	0.606	S	S	*	*			cis	-172.6	141.3	-5.5	41.7	0	0	0	0	112.2
369	Q	38.2	Very low	36.6	Very low	139 Å²	139	116.3 Å²	116.3	65%	0.65	63%	0.629	S	S	*	*			trans	62.7	175.1	148.5	-72.5	155.5	-105	0	0	118.6
370	Y	34.3	Very low	36.5	Very low	163 Å²	163	116.2 Å²	116.2	64%	0.639	64%	0.64	S	S	*	*			cis	-150.2	178.2	-5.4	-129.4	-23	0	0	0	112.8	V180 G181	V180-Y370 CarbonylContact C-O 3.51Å; G181-Y370 PolarHBondContact N-O 3.43Å
371	C	33.3	Very low	36.1	Very low	54 Å²	54	121 Å²	121	37%	0.365	65%	0.651	S	S	.	*			trans	-110.8	-172.9	-175	-57.8	0	0	0	0	112.6
372	F	32.6	Very low	35.7	Very low	161 Å²	161	119.8 Å²	119.8	71%	0.706	66%	0.658	S	S	*	*			cis	-141.5	-147.9	16.5	-59.8	-93.5	0	0	0	109.9	V180	V180-F372 WeakPolarHBondContact CG2-O 3.42Å
373	S	33.9	Very low	35.2	Very low	121 Å²	121	124 Å²	124	85%	0.846	68%	0.675	S	S	*	*			cis	-161.1	-170.4	6	-159.1	0	0	0	0	111.7
374	N	38.1	Very low	35.2	Very low	145 Å²	145	125.2 Å²	125.2	78%	0.775	69%	0.692	S	S	*	*			trans	-148.5	164.5	-173.9	-158.7	17.1	0	0	0	113.2
375	P	37.5	Very low	34.8	Very low	107 Å²	107	126.7 Å²	126.7	70%	0.695	70%	0.703	S	S	*	*				-160	178.1	113.5	42.1	-22.7	0	0	0	119.8
376	S	34.5	Very low	34.5	Very low	102 Å²	102	131 Å²	131	71%	0.713	72%	0.721	S	S	*	*			trans	85.4	111.1	143.3	69.4	0	0	0	0	125.5
377	S	33.1	Very low	33.9	Very low	105 Å²	105	130.4 Å²	130.4	73%	0.734	73%	0.732	S	S	*	*				88	129.9	119.9	73.1	0	0	0	0	125
378	T	36.3	Very low	33.4	Very low	133 Å²	133	129.9 Å²	129.9	82%	0.816	74%	0.741	S	S	*	*			trans	76.4	125.7	143.2	-51.3	0	0	0	0	121.1
379	C	33.9	Very low	33.1	Very low	119 Å²	119	133.9 Å²	133.9	80%	0.804	75%	0.751	S	S	*	*			trans	-86.3	156.2	173.6	-52.5	0	0	0	0	113.1
380	P	34.6	Very low	32.5	Very low	125 Å²	125	134.3 Å²	134.3	81%	0.812	76%	0.757	S	S	*	*				-143.1	164.1	122.6	38.2	-25	0	0	0	116.8
381	K	31.2	Very low	32.2	Very low	197 Å²	197	132 Å²	132	86%	0.857	77%	0.765	S	S	*	*			trans	-21.6	143	166.3	-53.9	165.2	-178.2	175.4	0	118.5
382	C	33.6	Very low	31.7	Very low	131 Å²	131	136.6 Å²	136.6	89%	0.885	79%	0.785	S	S	*	*				-168.8	149.8	119.1	-105.1	0	0	0	0	112.8
383	F	26.8	Very low	31.5	Very low	196 Å²	196	137.4 Å²	137.4	86%	0.86	79%	0.791	S	S	*	*			trans	-97.7	165.1	173	-86.9	-91.9	0	0	0	110.8
384	P	37	Very low	31.1	Very low	130 Å²	130	141 Å²	141	84%	0.844	79%	0.792	S	S	*	*				-119.9	180	107.1	36.1	-34.7	0	0	0	113.6
385	N	29.7	Very low	30.8	Very low	134 Å²	134	140.1 Å²	140.1	72%	0.717	79%	0.792	S	S	*	*			trans	-126.7	-168.9	-155.7	-157.7	-10.6	0	0	0	112.6
386	F	32.5	Very low	30.5	Very low	195 Å²	195	143.4 Å²	143.4	86%	0.855	80%	0.795	S	S	*	*			trans	75.5	126.7	-175.4	-46.6	-74.9	0	0	0	113.1
387	G	27.1	Very low	30.3	Very low	62 Å²	62	144 Å²	144	64%	0.639	79%	0.79	S	S	*	*			cis	89.3	138	6.3	0	0	0	0	0	112.7
388	T	27.3	Very low	30.1	Very low	129 Å²	129	147.3 Å²	147.3	79%	0.791	79%	0.792	S	S	*	*			cis	-157.8	169.6	4.2	47.6	0	0	0	0	111.2
389	Q	30.4	Very low	29.9	Very low	163 Å²	163	149 Å²	149	76%	0.762	79%	0.794	S	S	*	*			trans	76.3	127.5	162	-50.5	-156.2	25.7	0	0	120.8
390	N	24.4	Very low	29.6	Very low	148 Å²	148	148 Å²	148	79%	0.791	79%	0.788	S	S	*	*				24.2	118.6	126.5	-46.5	-12.1	0	0	0	119.5
391	S	27.6	Very low	29.5	Very low	114 Å²	114	147.6 Å²	147.6	80%	0.797	79%	0.786	S	S	*	*				-165.4	165.6	118.1	-169.7	0	0	0	0	110.6
392	L	24.3	Very low	29.5	Very low	151 Å²	151	143.9 Å²	143.9	79%	0.791	78%	0.783	S	S	*	*			trans	-60.2	147.7	149.1	-74.8	67.8	0	0	0	108.6
393	E	28.2	Very low	29.2	Very low	179 Å²	179	144.1 Å²	144.1	84%	0.836	78%	0.775	S	S	*	*				-166.8	149.7	111.3	-107.2	174.9	167.4	0	0	113.3
394	F	25.2	Very low	29.4	Very low	195 Å²	195	140 Å²	140	86%	0.855	77%	0.769	S	S	*	*			trans	-76.7	117.7	166	-99.2	-114	0	0	0	108.6
395	V	32.1	Very low	29.1	Very low	127 Å²	127	143.2 Å²	143.2	77%	0.77	77%	0.77	S	S	*	*			trans	-119.8	105.4	158.9	-177.2	0	0	0	0	109.1
396	K	29.8	Very low	28.8	Very low	177 Å²	177	141.5 Å²	141.5	77%	0.77	77%	0.769	S	S	*	*			trans	-112.9	77.2	-176.5	179.6	-169.9	174.1	-179.5	0	108.7
397	D	31.1	Very low	28.7	Very low	114 Å²	114	142.1 Å²	142.1	61%	0.61	77%	0.771	S	S	*	*			trans	-136.9	121.5	173.9	-86.4	-54.8	0	0	0	109.6
398	K	28.4	Very low	28.7	Very low	175 Å²	175	147.2 Å²	147.2	76%	0.761	78%	0.779	S	S	*	*				92	163.7	60.9	-80.6	-163	-151.8	93.9	0	111.3
399	I	31.9	Very low	28.9	Very low	169 Å²	169	143.8 Å²	143.8	87%	0.867	77%	0.769	S	S	*	*			trans	90.5	117.8	-168.8	-55.5	161.3	0	0	0	112.4
400	S	29.1	Very low	28.9	Very low	98 Å²	98	142.9 Å²	142.9	69%	0.685	77%	0.769	S	S	*	*			cis	-159.5	150.4	-18.1	49.7	0	0	0	0	110
401	P	31.1	Very low	29.2	Very low	116 Å²	116	139.7 Å²	139.7	75%	0.753	76%	0.759	S	S	*	*			trans	-85.4	152.9	173.1	35.5	-34.3	0	0	0	112.8
402	C	31.7	Very low	29.4	Very low	119 Å²	119	141.1 Å²	141.1	80%	0.804	76%	0.757	S	S	*	*			trans	-144.4	116.6	156.1	-67.6	0	0	0	0	105.5
403	D	27.1	Very low	29.6	Very low	136 Å²	136	141 Å²	141	73%	0.727	76%	0.757	S	S	*	*				67.4	101.7	72.3	-70.8	-49.7	0	0	0	113.1
404	C	31.1	Very low	29.6	Very low	108 Å²	108	135.8 Å²	135.8	73%	0.73	75%	0.745	S	S	*	*				77.2	111.2	59.2	-64.3	0	0	0	0	113.6
405	K	30.5	Very low	29.7	Very low	199 Å²	199	129.3 Å²	129.3	87%	0.865	72%	0.719	S	S	*	*			trans	-167.8	102.5	150.3	-106.4	143.8	-168.9	167.7	0	114.2
406	S	24.8	Very low	29.4	Very low	98 Å²	98	127 Å²	127	69%	0.685	71%	0.709	S	S	*	*				50.4	91.3	125.2	-46	0	0	0	0	120.7
407	F	29.9	Very low	29.3	Very low	207 Å²	207	125.8 Å²	125.8	91%	0.908	70%	0.704	S	S	*	*			trans	-158.6	113.4	134	-97.9	-78.6	0	0	0	104.3
408	Q	27.7	Very low	29	Very low	170 Å²	170	127.1 Å²	127.1	79%	0.794	71%	0.706	S	S	*	*			cis	70.3	132.2	36.5	-157.6	167.7	8.1	0	0	112.8
409	G	31.3	Very low	29.1	Very low	57 Å²	57	125.4 Å²	125.4	59%	0.588	70%	0.704	S	S	*	*			trans	101.1	70.2	-142.1	0	0	0	0	0	108.4
410	D	29.6	Very low	28.8	Very low	144 Å²	144	122.9 Å²	122.9	77%	0.77	69%	0.693	S	S	*	*				63.7	133.8	81.4	-56.3	-37	0	0	0	110.7
411	S	31.8	Very low	28.8	Very low	81 Å²	81	122.6 Å²	122.6	57%	0.566	69%	0.689	S	S	*	*			cis	165.6	155.9	-0	52.1	0	0	0	0	103.4
412	N	31.1	Very low	28.6	Very low	144 Å²	144	124.8 Å²	124.8	77%	0.77	69%	0.692	S	S	*	*			trans	65.1	164	170.5	-35.6	-46.8	0	0	0	113.6
413	N	28.3	Very low	28.3	Very low	147 Å²	147	122.2 Å²	122.2	79%	0.786	68%	0.676	S	S	*	*			cis	-150.3	-178.4	-29.7	-129.6	-29.6	0	0	0	108.5
414	A	29	Very low	28.3	Very low	70 Å²	70	124.1 Å²	124.1	58%	0.579	68%	0.68	S	S	*	*			trans	38.1	92.7	147.7	0	0	0	0	0	118
415	N	26.8	Very low	28.1	Very low	60 Å²	60	123.2 Å²	123.2	32%	0.321	67%	0.668	S	S	.	*	S	Bend		12.8	129.9	124.3	-47.2	-45.3	0	0	0	117.1	P440 K441 S442 D443	N415-P440 HydrophobicContact CB-CB 3.73Å; N415-P440 HydrophobicContact CB-CG 4.29Å; N415-P440 PolarHBondContact ND2-O 3.07Å; N415-K441 VanDerWaalsContact CG-CA 3.48Å; N415-S442 PolarHBondContact OD1-N 2.9Å; N415-D443 VanDerWaalsContact C-OD2 3.29Å; N415-D443 WeakPolarHBondContact CA-OD2 3.14Å
416	S	25.9	Very low	27.9	Very low	79 Å²	79	118.5 Å²	118.5	55%	0.552	66%	0.656	S	S	*	*			trans	87.5	67.4	175.9	-148.8	0	0	0	0	114.5	H418 D443	S416-H418 PolarHBondContact O-N 3.09Å; S416-H418 PolarHBondContact OG-N 3Å; S416-D443 WeakPolarHBondContact CA-OD1 2.95Å; S416-D443 VanDerWaalsContact N-CG 3.33Å; S416-D443 PolarHBondContact N-OD1 3.33Å; S416-D443 VanDerWaalsContact N-OD1 3.17Å; S416-D443 PolarHBondContact N-OD2 3.5Å
417	F	27.3	Very low	28	Very low	151 Å²	151	115.8 Å²	115.8	66%	0.662	64%	0.636	S	S	*	*			trans	-64.4	69.4	130.9	-83.5	-88.8	0	0	0	109.1	L419 D443 T446	F417-L419 PolarHBondContact O-N 3.44Å; F417-D443 PolarHBondContact N-OD1 2.82Å; F417-T446 HydrophobicContact CB-CG2 4.06Å; F417-T446 HydrophobicContact CD1-CG2 4.12Å; F417-T446 HydrophobicContact CD2-CG2 3.73Å; F417-T446 HydrophobicContact CE1-CG2 4.48Å; F417-T446 HydrophobicContact CE2-CG2 4.11Å; F417-T446 HydrophobicContact CG-CG2 3.72Å; F417-T446 HydrophobicContact CZ-CG2 4.47Å
418	H	25.2	Very low	28.1	Very low	142 Å²	142	108.7 Å²	108.7	66%	0.657	61%	0.61	S	S	*	*			trans	-63.8	122.8	150.8	-161.4	-69	0	0	0	106.2	S416 D420	S416-H418 PolarHBondContact O-N 3.09Å; S416-H418 PolarHBondContact OG-N 3Å; H418-D420 IonicContact CE1-OD2 3.52Å; H418-D420 PolarHBondContact CE1-OD2 2.91Å; H418-D420 VanDerWaalsContact CE1-OD2 3.32Å; H418-D420 IonicContact ND1-OD2 3.25Å
419	L	29.3	Very low	28	Very low	138 Å²	138	105.9 Å²	105.9	72%	0.723	60%	0.599	S	S	*	*			trans	-53	164.6	172.4	-60.3	151	0	0	0	110	F417	F417-L419 PolarHBondContact O-N 3.44Å
420	D	26.8	Very low	27.9	Very low	117 Å²	117	104.5 Å²	104.5	63%	0.626	58%	0.581	S	S	*	*				167.3	162.3	107.8	-88.9	-32.5	0	0	0	113	H418	H418-D420 IonicContact CE1-OD2 3.52Å; H418-D420 PolarHBondContact CE1-OD2 2.91Å; H418-D420 VanDerWaalsContact CE1-OD2 3.32Å; H418-D420 IonicContact ND1-OD2 3.25Å
421	P	28	Very low	27.8	Very low	92 Å²	92	101.7 Å²	101.7	60%	0.597	57%	0.57	S	S	*	*				-146.9	73.7	-72.2	36	-12.3	0	0	0	111.3	S423	P421-S423 WeakPolarHBondContact O-CB 3.22Å; P421-S423 PolarHBondContact O-OG 3.41Å
422	I	26.6	Very low	27.5	Very low	162 Å²	162	103.7 Å²	103.7	83%	0.831	58%	0.575	S	S	*	*			trans	-100.6	89.3	-172.2	-49	-178	0	0	0	108.9
423	S	25.8	Very low	27.2	Very low	64 Å²	64	105.4 Å²	105.4	45%	0.448	58%	0.576	S	S	.	*				65.6	92.2	58.3	88.4	0	0	0	0	114.1	P421	P421-S423 WeakPolarHBondContact O-CB 3.22Å; P421-S423 PolarHBondContact O-OG 3.41Å
424	E	27.1	Very low	27.1	Very low	177 Å²	177	104.3 Å²	104.3	83%	0.827	57%	0.569	S	S	*	*			trans	-112.2	104.2	146.7	-72.9	-149.7	142.6	0	0	110.3
425	N	28.4	Very low	27.1	Very low	89 Å²	89	109.6 Å²	109.6	48%	0.476	58%	0.581	S	S	.	*	S	Bend	trans	65.1	105.9	134.1	-50.6	-32.3	0	0	0	116.6	G14	G14-N425 WeakPolarHBondContact CA-OD1 3.42Å
426	T	25.8	Very low	27.1	Very low	100 Å²	100	110.8 Å²	110.8	61%	0.613	60%	0.599	S	S	*	*	S	Bend	cis	-150.2	127.1	43.2	-56.8	0	0	0	0	111.7
427	C	26.3	Very low	27.2	Very low	40 Å²	40	111.9 Å²	111.9	27%	0.27	61%	0.607	S	S	.	*			trans	55.7	85.5	155.5	-65	0	0	0	0	116.7	R10 G14 S16	R10-C427 PolarHBondContact NE-SG 3.2Å; G14-C427 PolarHBondContact O-N 3.49Å; S16-C427 WeakPolarHBondContact OG-CB 3.17Å
428	V	32.2	Very low	27.3	Very low	59 Å²	59	109.1 Å²	109.1	36%	0.358	61%	0.606	S	S	.	*			cis	65.2	123.9	32.7	-177.2	0	0	0	0	113.4	S16	S16-V428 CarbonylContact C-O 3.52Å; S16-V428 WeakPolarHBondContact CA-O 3.5Å; S16-V428 PolarHBondContact N-O 2.69Å; S16-V428 PolarHBondContact OG-O 2.65Å
429	I	26.4	Very low	27.5	Very low	110 Å²	110	110.4 Å²	110.4	56%	0.564	62%	0.618	S	S	*	*			trans	-130.6	150.9	-179.1	-57.1	-68.7	0	0	0	108.4	S16 L18	S16-I429 WeakPolarHBondContact O-CA 3.41Å; L18-I429 HydrophobicContact CB-CD1 3.75Å; L18-I429 HydrophobicContact CB-CG2 4.03Å; L18-I429 HydrophobicContact CD1-CD1 4.22Å; L18-I429 WeakPolarHBondContact O-CG2 3.38Å
430	S	28.5	Very low	27.7	Very low	28 Å²	28	107 Å²	107	20%	0.196	60%	0.604	C	S	.	*			trans	-169.5	167.8	-157.2	-100.6	0	0	0	0	113.5	R17 L18 V19	R17-S430 PolarHBondContact NH1-OG 2.8Å; L18-S430 CarbonylContact C-O 3.43Å; V19-S430 WeakPolarHBondContact CG2-O 3.41Å
431	P	27.4	Very low	28	Very low	85 Å²	85	110.5 Å²	110.5	55%	0.552	61%	0.614	S	S	*	*			cis	-134.3	-174.7	5.1	42.1	-25.2	0	0	0	115.1
432	N	25.2	Very low	28.5	Very low	124 Å²	124	110 Å²	110	66%	0.663	61%	0.613	S	S	*	*			trans	25.1	134.8	143.4	-53.2	-3.6	0	0	0	121.3
433	F	25.4	Very low	28.6	Very low	179 Å²	179	105.1 Å²	105.1	79%	0.785	59%	0.588	S	S	*	*				154.7	94	120.2	-91.7	-81.5	0	0	0	108.3
434	I	26.6	Very low	29.3	Very low	125 Å²	125	107.4 Å²	107.4	64%	0.641	59%	0.594	S	S	*	*				95.1	113.6	74.3	-82.9	167.9	0	0	0	112.6
435	H	27.4	Very low	29.6	Very low	180 Å²	180	108.2 Å²	108.2	83%	0.833	60%	0.595	S	S	*	*			trans	68.5	144.4	163.4	-72.5	-139.6	0	0	0	118.2
436	A	27.8	Very low	29.6	Very low	85 Å²	85	108 Å²	108	70%	0.702	60%	0.597	S	S	*	*			cis	-164.4	167.8	-13.2	0	0	0	0	0	111.8
437	S	28	Very low	30	Very low	103 Å²	103	108.3 Å²	108.3	72%	0.72	60%	0.603	S	S	*	*			trans	71.3	144.9	168.7	-109.2	0	0	0	0	119
438	S	29.3	Very low	30.2	Very low	93 Å²	93	111.7 Å²	111.7	65%	0.65	63%	0.628	S	S	*	*			cis	-179.9	117.2	-33.2	43.8	0	0	0	0	110
439	D	30.1	Very low	30.2	Very low	168 Å²	168	117.5 Å²	117.5	90%	0.898	65%	0.651	S	S	*	*			trans	-176.2	138.4	142	-112.6	-39	0	0	0	111.3
440	P	33	Very low	30.9	Very low	68 Å²	68	117.2 Å²	117.2	44%	0.442	66%	0.657	S	S	.	*			trans	-125.2	134.2	-167.4	41.2	-27.5	0	0	0	115.6	N415	N415-P440 HydrophobicContact CB-CB 3.73Å; N415-P440 HydrophobicContact CB-CG 4.29Å; N415-P440 PolarHBondContact ND2-O 3.07Å
441	K	32.2	Very low	31.5	Very low	190 Å²	190	118.4 Å²	118.4	83%	0.826	66%	0.663	S	S	*	*			trans	-152.4	137.9	164.1	-128.8	165	-174	172.3	0	116.1	N415	N415-K441 VanDerWaalsContact CG-CA 3.48Å
442	S	38.3	Very low	32.5	Very low	81 Å²	81	120.8 Å²	120.8	57%	0.566	68%	0.682	S	S	*	*			trans	58.6	94.2	171.9	60.5	0	0	0	0	118.5	N415	N415-S442 PolarHBondContact OD1-N 2.9Å
443	D	29.3	Very low	33.5	Very low	59 Å²	59	118.5 Å²	118.5	32%	0.316	67%	0.67	S	S	.	*			trans	-73.1	131.1	154	-52.8	-77.7	0	0	0	110.2	N415 S416 F417	N415-D443 VanDerWaalsContact C-OD2 3.29Å; N415-D443 WeakPolarHBondContact CA-OD2 3.14Å; S416-D443 WeakPolarHBondContact CA-OD1 2.95Å; S416-D443 VanDerWaalsContact N-CG 3.33Å; S416-D443 PolarHBondContact N-OD1 3.33Å; S416-D443 VanDerWaalsContact N-OD1 3.17Å; S416-D443 PolarHBondContact N-OD2 3.5Å; F417-D443 PolarHBondContact N-OD1 2.82Å
444	I	40.3	Very low	34.4	Very low	113 Å²	113	111.6 Å²	111.6	58%	0.579	64%	0.643	S	S	*	*			trans	-121	-3.9	174.6	-66	178.7	0	0	0	111.2
445	F	32.9	Very low	35.1	Very low	193 Å²	193	109.1 Å²	109.1	85%	0.846	63%	0.631	S	S	*	*			trans	-112.4	30.7	-169.6	-75.6	-81.3	0	0	0	115.2
446	T	30.1	Very low	36.4	Very low	84 Å²	84	103.1 Å²	103.1	52%	0.515	61%	0.606	S	S	.	*			trans	-125.4	64.5	171.5	54.4	0	0	0	0	111.9	F417	F417-T446 HydrophobicContact CB-CG2 4.06Å; F417-T446 HydrophobicContact CD1-CG2 4.12Å; F417-T446 HydrophobicContact CD2-CG2 3.73Å; F417-T446 HydrophobicContact CE1-CG2 4.48Å; F417-T446 HydrophobicContact CE2-CG2 4.11Å; F417-T446 HydrophobicContact CG-CG2 3.72Å; F417-T446 HydrophobicContact CZ-CG2 4.47Å
447	S	32.8	Very low	37.3	Very low	107 Å²	107	103.4 Å²	103.4	75%	0.748	59%	0.59	S	S	*	*			trans	-141.2	134	167.2	-173	0	0	0	0	110.7
448	S	30.3	Very low	38.1	Very low	112 Å²	112	99.4 Å²	99.4	78%	0.783	56%	0.563	S	S	*	*	S	Bend	trans	-76.4	140.6	175.9	53.8	0	0	0	0	111.6
449	E	34	Very low	39.2	Very low	180 Å²	180	100.4 Å²	100.4	84%	0.841	56%	0.558	S	S	*	*	S	Bend	trans	68	116.5	-171.5	-59.1	-154	108.5	0	0	115.6
450	P	41.1	Very low	40.5	Very low	105 Å²	105	97.9 Å²	97.9	68%	0.682	54%	0.541	S	S	*	.			trans	-70.1	148.4	167	31.1	-33.9	0	0	0	110.3	S452	P450-S452 PolarHBondContact O-N 2.8Å
451	P	40.4	Very low	41.5	Very low	52 Å²	52	96 Å²	96	34%	0.338	53%	0.526	S	S	.	.			trans	-58.7	133.4	-176.6	25.4	-36.1	0	0	0	111.6	N453 V456	P451-N453 PolarHBondContact O-N 2.96Å; P451-V456 HydrophobicContact CB-CB 4.3Å; P451-V456 HydrophobicContact CB-CG1 4.01Å; P451-V456 HydrophobicContact CG-CG1 4.22Å
452	S	48.4	Very low	42.3	Very low	136 Å²	136	88.7 Å²	88.7	95%	0.951	50%	0.496	S	S	*	.	S	Bend	trans	-66.9	1.3	-174.9	61.1	0	0	0	0	115.3	P450	P450-S452 PolarHBondContact O-N 2.8Å
453	N	47.1	Very low	43	Very low	75 Å²	75	89.3 Å²	89.3	40%	0.401	50%	0.498	S	S	.	.			trans	-121	113.9	177.5	-177.1	1.3	0	0	0	110	P451 L455 V456 Y457	P451-N453 PolarHBondContact O-N 2.96Å; N453-L455 PolarHBondContact O-N 3.47Å; N453-L455 VanDerWaalsContact O-N 3.17Å; N453-L455 VanDerWaalsContact OD1-CB 3.28Å; N453-L455 WeakPolarHBondContact OD1-CB 3.27Å; N453-L455 PolarHBondContact OD1-N 2.83Å; N453-V456 HydrophobicContact CB-CB 4.34Å; N453-V456 HydrophobicContact CB-CG2 3.98Å; N453-V456 WeakPolarHBondContact O-CB 3.07Å; N453-V456 PolarHBondContact O-N 3.34Å; N453-Y457 PolarHBondContact O-N 2.93Å
454	P	42.3	Very low	44.2	Very low	34 Å²	34	89.2 Å²	89.2	22%	0.221	50%	0.502	C	S	.	.	H	α-helix	trans	-65.5	-18.1	179.7	27.7	-34.6	0	0	0	113.3	Y457 A458 M496 L497	P454-Y457 PolarHBondContact O-N 2.84Å; P454-A458 WeakPolarHBondContact O-CB 3.38Å; P454-A458 PolarHBondContact O-N 2.87Å; P454-M496 HydrophobicContact CG-CE 3.76Å; P454-L497 HydrophobicContact CB-CD2 4.4Å
455	L	41.3	Very low	44.6	Very low	74 Å²	74	84.1 Å²	84.1	39%	0.387	48%	0.476	S	S	.	.	H	α-helix	trans	-68.5	-38.2	172.5	-136.9	170.4	0	0	0	110.8	N453 A458 Q459	N453-L455 PolarHBondContact O-N 3.47Å; N453-L455 VanDerWaalsContact O-N 3.17Å; N453-L455 VanDerWaalsContact OD1-CB 3.28Å; N453-L455 WeakPolarHBondContact OD1-CB 3.27Å; N453-L455 PolarHBondContact OD1-N 2.83Å; L455-A458 PolarHBondContact O-N 2.88Å; L455-Q459 HydrophobicContact CD2-CG 4.12Å; L455-Q459 WeakPolarHBondContact O-CB 3.5Å; L455-Q459 VanDerWaalsContact O-CG 3.22Å; L455-Q459 WeakPolarHBondContact O-CG 3.49Å; L455-Q459 PolarHBondContact O-N 3.21Å
456	V	54.6	Low	45.5	Very low	53 Å²	53	77.6 Å²	77.6	32%	0.321	45%	0.449	S	S	.	.	H	α-helix	trans	-69	-39.7	173.1	176.7	0	0	0	0	110.7	P451 N453 Q459 Q460	P451-V456 HydrophobicContact CB-CB 4.3Å; P451-V456 HydrophobicContact CB-CG1 4.01Å; P451-V456 HydrophobicContact CG-CG1 4.22Å; N453-V456 HydrophobicContact CB-CB 4.34Å; N453-V456 HydrophobicContact CB-CG2 3.98Å; N453-V456 WeakPolarHBondContact O-CB 3.07Å; N453-V456 PolarHBondContact O-N 3.34Å; V456-Q459 CarbonylContact O-C 3.58Å; V456-Q459 PolarHBondContact O-N 3.35Å; V456-Q460 HydrophobicContact CG1-CG 4.42Å; V456-Q460 WeakPolarHBondContact O-CG 3.16Å; V456-Q460 PolarHBondContact O-N 2.77Å
457	Y	46.7	Very low	46.7	Very low	91 Å²	91	77 Å²	77	36%	0.357	44%	0.443	S	S	.	.	H	α-helix	trans	-59.3	-46.9	173.8	-175.4	-107	0	0	0	111.7	N453 P454 Q459 Q460 I461 L497	N453-Y457 PolarHBondContact O-N 2.93Å; P454-Y457 PolarHBondContact O-N 2.84Å; Y457-Q459 PolarHBondContact O-N 2.95Å; Y457-Q460 PolarHBondContact O-N 3.43Å; Y457-I461 HydrophobicContact CD1-CD1 3.8Å; Y457-I461 HydrophobicContact CD2-CD1 4.09Å; Y457-I461 HydrophobicContact CE1-CD1 3.43Å; Y457-I461 VanDerWaalsContact CE1-CD1 3.43Å; Y457-I461 HydrophobicContact CE2-CD1 3.74Å; Y457-I461 HydrophobicContact CG-CD1 4.12Å; Y457-I461 WeakPolarHBondContact O-CB 3.4Å; Y457-I461 WeakPolarHBondContact O-CG1 3.26Å; Y457-I461 PolarHBondContact O-N 3.14Å; Y457-I461 VanDerWaalsContact O-N 3.09Å; Y457-L497 HydrophobicContact CD1-CD2 4.34Å
458	A	44.8	Very low	47.4	Very low	19 Å²	19	81.9 Å²	81.9	16%	0.157	45%	0.454	C	S	.	.	H	α-helix	trans	-62.3	-40.1	173.4	0	0	0	0	0	112.3	P454 L455 I461 L462	P454-A458 WeakPolarHBondContact O-CB 3.38Å; P454-A458 PolarHBondContact O-N 2.87Å; L455-A458 PolarHBondContact O-N 2.88Å; A458-I461 PolarHBondContact O-N 2.86Å; A458-L462 WeakPolarHBondContact O-CB 3.16Å; A458-L462 PolarHBondContact O-N 3.5Å
459	Q	53.5	Low	48	Very low	114 Å²	114	87.5 Å²	87.5	53%	0.533	46%	0.458	S	S	.	.	H	α-helix	trans	-70.1	-28.5	177.6	-75.8	172.1	-29.7	0	0	114.2	L455 V456 Y457 L462 P463	L455-Q459 HydrophobicContact CD2-CG 4.12Å; L455-Q459 WeakPolarHBondContact O-CB 3.5Å; L455-Q459 VanDerWaalsContact O-CG 3.22Å; L455-Q459 WeakPolarHBondContact O-CG 3.49Å; L455-Q459 PolarHBondContact O-N 3.21Å; V456-Q459 CarbonylContact O-C 3.58Å; V456-Q459 PolarHBondContact O-N 3.35Å; Y457-Q459 PolarHBondContact O-N 2.95Å; Q459-L462 HydrophobicContact CG-CD1 4.47Å; Q459-P463 WeakPolarHBondContact O-CD 3.42Å
460	Q	57.1	Low	48.2	Very low	116 Å²	116	81.5 Å²	81.5	54%	0.542	45%	0.445	S	S	.	.	H	α-helix	trans	-78	-28.4	171.7	-73.8	-177.7	-84	0	0	112.5	V456 Y457	V456-Q460 HydrophobicContact CG1-CG 4.42Å; V456-Q460 WeakPolarHBondContact O-CG 3.16Å; V456-Q460 PolarHBondContact O-N 2.77Å; Y457-Q460 PolarHBondContact O-N 3.43Å
461	I	54	Low	48.2	Very low	28 Å²	28	79.3 Å²	79.3	14%	0.144	43%	0.432	C	S	.	.	H	α-helix	trans	-85.7	-26	178.9	-72.5	172.4	0	0	0	112.1	Y457 A458 S464 L465 I480	Y457-I461 HydrophobicContact CD1-CD1 3.8Å; Y457-I461 HydrophobicContact CD2-CD1 4.09Å; Y457-I461 HydrophobicContact CE1-CD1 3.43Å; Y457-I461 VanDerWaalsContact CE1-CD1 3.43Å; Y457-I461 HydrophobicContact CE2-CD1 3.74Å; Y457-I461 HydrophobicContact CG-CD1 4.12Å; Y457-I461 WeakPolarHBondContact O-CB 3.4Å; Y457-I461 WeakPolarHBondContact O-CG1 3.26Å; Y457-I461 PolarHBondContact O-N 3.14Å; Y457-I461 VanDerWaalsContact O-N 3.09Å; A458-I461 PolarHBondContact O-N 2.86Å; I461-S464 CarbonylContact O-C 3.53Å; I461-S464 WeakPolarHBondContact O-CA 3.22Å; I461-S464 WeakPolarHBondContact O-CB 3.42Å; I461-S464 PolarHBondContact O-N 3.23Å; I461-L465 HydrophobicContact CG2-CD1 3.84Å; I461-L465 HydrophobicContact CG2-CG 3.91Å; I461-L465 PolarHBondContact O-N 3.02Å; I461-I480 HydrophobicContact CG2-CD1 3.36Å; I461-I480 HydrophobicContact CG2-CG1 4.23Å
462	L	48.5	Very low	48.8	Very low	36 Å²	36	78.4 Å²	78.4	19%	0.188	43%	0.425	C	S	.	.	H	α-helix	trans	-50.3	-49.4	176.4	-107.6	158.8	0	0	0	113.5	A458 Q459 S464 L465 I466 A504 I508	A458-L462 WeakPolarHBondContact O-CB 3.16Å; A458-L462 PolarHBondContact O-N 3.5Å; Q459-L462 HydrophobicContact CG-CD1 4.47Å; L462-S464 VanDerWaalsContact C-N 3.29Å; L462-S464 PolarHBondContact O-N 2.79Å; L462-L465 WeakPolarHBondContact O-CB 3.44Å; L462-L465 PolarHBondContact O-N 3.15Å; L462-I466 HydrophobicContact CD2-CD1 4.23Å; L462-I466 PolarHBondContact O-N 3.25Å; L462-A504 HydrophobicContact CD1-CB 3.81Å; L462-A504 HydrophobicContact CD2-CB 4Å; L462-A504 HydrophobicContact CG-CB 3.95Å; L462-I508 HydrophobicContact CD2-CD1 3.76Å; L462-I508 HydrophobicContact CD2-CG1 4.09Å
463	P	53.6	Low	49.4	Very low	94 Å²	94	73.9 Å²	73.9	61%	0.61	39%	0.394	S	S	*	.	H	α-helix	trans	-68	-22	174.4	-22.1	34.4	0	0	0	114.8	Q459	Q459-P463 WeakPolarHBondContact O-CD 3.42Å
464	S	54.5	Low	49.8	Very low	58 Å²	58	75.3 Å²	75.3	41%	0.406	40%	0.397	S	S	.	.	H	α-helix	trans	-84.6	-25	174.3	-51.9	0	0	0	0	112.5	I461 L462 L476	I461-S464 CarbonylContact O-C 3.53Å; I461-S464 WeakPolarHBondContact O-CA 3.22Å; I461-S464 WeakPolarHBondContact O-CB 3.42Å; I461-S464 PolarHBondContact O-N 3.23Å; L462-S464 VanDerWaalsContact C-N 3.29Å; L462-S464 PolarHBondContact O-N 2.79Å; S464-L476 VanDerWaalsContact C-CD2 3.48Å; S464-L476 VanDerWaalsContact O-CD2 3.3Å; S464-L476 WeakPolarHBondContact O-CD2 3.03Å
465	L	49.1	Very low	50.2	Low	6 Å²	6	81.4 Å²	81.4	3%	0.031	42%	0.422	C	S	.	.	H	α-helix	trans	-71	-43	174.9	-85.8	170.7	0	0	0	111.7	I461 L462 V472 S473 L476 L477 I480 L501	I461-L465 HydrophobicContact CG2-CD1 3.84Å; I461-L465 HydrophobicContact CG2-CG 3.91Å; I461-L465 PolarHBondContact O-N 3.02Å; L462-L465 WeakPolarHBondContact O-CB 3.44Å; L462-L465 PolarHBondContact O-N 3.15Å; L465-V472 HydrophobicContact CB-CG1 4.27Å; L465-V472 HydrophobicContact CD2-CG1 4Å; L465-V472 CarbonylContact O-C 3.51Å; L465-V472 VanDerWaalsContact O-CA 3.27Å; L465-V472 WeakPolarHBondContact O-CA 3.2Å; L465-S473 PolarHBondContact O-N 3.19Å; L465-L476 HydrophobicContact CD2-CB 4.28Å; L465-L476 HydrophobicContact CD2-CD2 4.16Å; L465-L476 HydrophobicContact CD2-CG 4.38Å; L465-L476 HydrophobicContact CG-CD2 4.18Å; L465-L477 HydrophobicContact CD1-CD2 4.32Å; L465-L477 HydrophobicContact CD2-CB 4.46Å; L465-L477 HydrophobicContact CD2-CD2 3.47Å; L465-L477 VanDerWaalsContact CD2-CD2 3.47Å; L465-L477 HydrophobicContact CD2-CG 3.62Å; L465-I480 HydrophobicContact CD1-CD1 4.18Å; L465-I480 HydrophobicContact CD2-CD1 3.74Å; L465-I480 HydrophobicContact CG-CD1 4Å; L465-L501 HydrophobicContact CD1-CD2 4.42Å
466	I	52	Low	51.1	Low	55 Å²	55	80.4 Å²	80.4	28%	0.282	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-94.9	113.6	-177.1	-49.6	166.1	0	0	0	108.7	L462 I508	L462-I466 HydrophobicContact CD2-CD1 4.23Å; L462-I466 PolarHBondContact O-N 3.25Å; I466-I508 HydrophobicContact CD1-CD1 3.7Å; I466-I508 HydrophobicContact CD1-CG1 3.78Å; I466-I508 HydrophobicContact CG1-CD1 4.08Å
467	N	54.3	Low	51.5	Low	72 Å²	72	78.8 Å²	78.8	39%	0.385	41%	0.406	S	S	.	.			trans	-77.1	168	171.2	63.7	35.9	0	0	0	111.7	R469 G470 S471	N467-R469 PolarHBondContact O-N 3.07Å; N467-R469 WeakPolarHBondContact OD1-CB 3.44Å; N467-R469 PolarHBondContact OD1-N 2.86Å; N467-R469 VanDerWaalsContact OD1-N 3.16Å; N467-G470 PolarHBondContact O-N 2.98Å; N467-S471 PolarHBondContact N-O 3.05Å; N467-S471 VanDerWaalsContact N-O 3.12Å; N467-S471 PolarHBondContact ND2-O 3.34Å; N467-S471 PolarHBondContact ND2-OG 3.04Å; N467-S471 PolarHBondContact OD1-N 3.18Å; N467-S471 PolarHBondContact OD1-O 2.92Å; N467-S471 PolarHBondContact OD1-OG 3.01Å
468	E	47.7	Very low	51.8	Low	209 Å²	209	77.5 Å²	77.5	98%	0.977	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-8.2	-178.6	-62.2	-173.4	161.8	0	0	114.8
469	R	42.4	Very low	52.2	Low	230 Å²	230	79.1 Å²	79.1	87%	0.868	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	12.1	174.1	-55.1	-175.4	179.3	-164.3	-1.9	113.1	N467 S471	N467-R469 PolarHBondContact O-N 3.07Å; N467-R469 WeakPolarHBondContact OD1-CB 3.44Å; N467-R469 PolarHBondContact OD1-N 2.86Å; N467-R469 VanDerWaalsContact OD1-N 3.16Å; R469-S471 PolarHBondContact O-N 3.17Å; R469-S471 VanDerWaalsContact O-N 3.14Å
470	G	38.8	Very low	52.5	Low	55 Å²	55	74.9 Å²	74.9	57%	0.567	40%	0.402	S	S	*	.	S	Bend	trans	69.5	2.3	-176.5	0	0	0	0	0	114.6	N467	N467-G470 PolarHBondContact O-N 2.98Å
471	S	41.9	Very low	52.7	Low	58 Å²	58	71.1 Å²	71.1	41%	0.406	39%	0.385	S	S	.	.			trans	-93	134.2	-174.8	65.1	0	0	0	0	111.2	N467 R469	N467-S471 PolarHBondContact N-O 3.05Å; N467-S471 VanDerWaalsContact N-O 3.12Å; N467-S471 PolarHBondContact ND2-O 3.34Å; N467-S471 PolarHBondContact ND2-OG 3.04Å; N467-S471 PolarHBondContact OD1-N 3.18Å; N467-S471 PolarHBondContact OD1-O 2.92Å; N467-S471 PolarHBondContact OD1-OG 3.01Å; R469-S471 PolarHBondContact O-N 3.17Å; R469-S471 VanDerWaalsContact O-N 3.14Å
472	V	52.6	Low	52.6	Low	33 Å²	33	71.8 Å²	71.8	20%	0.2	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-80.1	131.3	-176	-171.5	0	0	0	0	110.4	L465 F474 L477	L465-V472 HydrophobicContact CB-CG1 4.27Å; L465-V472 HydrophobicContact CD2-CG1 4Å; L465-V472 CarbonylContact O-C 3.51Å; L465-V472 VanDerWaalsContact O-CA 3.27Å; L465-V472 WeakPolarHBondContact O-CA 3.2Å; V472-F474 WeakPolarHBondContact O-CD2 3.41Å; V472-F474 PolarHBondContact O-N 2.89Å; V472-L477 HydrophobicContact CB-CD1 4.45Å; V472-L477 HydrophobicContact CG1-CD1 3.57Å; V472-L477 HydrophobicContact CG1-CD2 4.35Å; V472-L477 HydrophobicContact CG1-CG 3.8Å
473	S	60.3	Low	52.7	Low	41 Å²	41	74.8 Å²	74.8	29%	0.287	41%	0.408	S	S	.	.			trans	-68.1	96.8	176.2	-178.5	0	0	0	0	110.6	L465 Q475 L476 L477	L465-S473 PolarHBondContact O-N 3.19Å; S473-Q475 PolarHBondContact O-N 3.22Å; S473-L476 PolarHBondContact O-N 2.79Å; S473-L476 PolarHBondContact OG-N 3.37Å; S473-L477 PolarHBondContact O-N 3.24Å
474	F	54.9	Low	52.4	Low	106 Å²	106	70.9 Å²	70.9	47%	0.465	38%	0.382	S	S	.	.	H	α-helix	trans	-55	-33.7	172.3	-68.8	-84.3	0	0	0	112.3	V240 V244 V472 S478	V240-F474 HydrophobicContact CB-CZ 4.39Å; V240-F474 HydrophobicContact CG1-CE1 4.27Å; V240-F474 HydrophobicContact CG1-CZ 3.83Å; V240-F474 HydrophobicContact CG2-CZ 3.88Å; V244-F474 HydrophobicContact CG2-CE1 4.44Å; V472-F474 WeakPolarHBondContact O-CD2 3.41Å; V472-F474 PolarHBondContact O-N 2.89Å; F474-S478 WeakPolarHBondContact O-CB 3.49Å; F474-S478 PolarHBondContact O-N 3.34Å
475	Q	51.1	Low	51.9	Low	161 Å²	161	71.7 Å²	71.7	75%	0.752	39%	0.387	S	S	*	.	H	α-helix	trans	-61.1	-44.9	174	-146.7	78.7	-0.7	0	0	111.2	S473 S479	S473-Q475 PolarHBondContact O-N 3.22Å; Q475-S479 WeakPolarHBondContact O-CB 3.46Å; Q475-S479 PolarHBondContact O-N 2.8Å
476	L	61.7	Low	51.8	Low	54 Å²	54	77.9 Å²	77.9	28%	0.283	42%	0.419	S	S	.	.	H	α-helix	trans	-75.1	-41	179.8	-163.7	72	0	0	0	111.4	S464 L465 S473 S478 S479 I480	S464-L476 VanDerWaalsContact C-CD2 3.48Å; S464-L476 VanDerWaalsContact O-CD2 3.3Å; S464-L476 WeakPolarHBondContact O-CD2 3.03Å; L465-L476 HydrophobicContact CD2-CB 4.28Å; L465-L476 HydrophobicContact CD2-CD2 4.16Å; L465-L476 HydrophobicContact CD2-CG 4.38Å; L465-L476 HydrophobicContact CG-CD2 4.18Å; S473-L476 PolarHBondContact O-N 2.79Å; S473-L476 PolarHBondContact OG-N 3.37Å; L476-S478 VanDerWaalsContact C-N 3.35Å; L476-S478 PolarHBondContact O-N 3.3Å; L476-S479 PolarHBondContact O-N 3.21Å; L476-I480 HydrophobicContact CD2-CD1 4.27Å; L476-I480 HydrophobicContact CG-CD1 3.84Å; L476-I480 HydrophobicContact CG-CG1 4.41Å; L476-I480 WeakPolarHBondContact O-CB 3.4Å; L476-I480 VanDerWaalsContact O-CD1 3.3Å; L476-I480 WeakPolarHBondContact O-CD1 3.21Å; L476-I480 WeakPolarHBondContact O-CG1 3.37Å; L476-I480 PolarHBondContact O-N 2.88Å
477	L	62.7	Low	51.4	Low	18 Å²	18	79.2 Å²	79.2	9%	0.094	42%	0.424	C	S	.	.	H	α-helix	trans	-55.7	-49.4	170.6	-78.5	177	0	0	0	111.4	L465 V472 S473 S479 I480 L481 F505	L465-L477 HydrophobicContact CD1-CD2 4.32Å; L465-L477 HydrophobicContact CD2-CB 4.46Å; L465-L477 HydrophobicContact CD2-CD2 3.47Å; L465-L477 VanDerWaalsContact CD2-CD2 3.47Å; L465-L477 HydrophobicContact CD2-CG 3.62Å; V472-L477 HydrophobicContact CB-CD1 4.45Å; V472-L477 HydrophobicContact CG1-CD1 3.57Å; V472-L477 HydrophobicContact CG1-CD2 4.35Å; V472-L477 HydrophobicContact CG1-CG 3.8Å; S473-L477 PolarHBondContact O-N 3.24Å; L477-S479 VanDerWaalsContact C-N 3.29Å; L477-S479 PolarHBondContact O-N 3.38Å; L477-I480 PolarHBondContact O-N 3.32Å; L477-L481 HydrophobicContact CB-CD1 4.43Å; L477-L481 VanDerWaalsContact O-CB 3.26Å; L477-L481 WeakPolarHBondContact O-CB 3.36Å; L477-L481 WeakPolarHBondContact O-CD1 3.08Å; L477-L481 VanDerWaalsContact O-CG 3.22Å; L477-L481 WeakPolarHBondContact O-CG 3.31Å; L477-L481 PolarHBondContact O-N 3.08Å; L477-F505 HydrophobicContact CD1-CE1 4.48Å; L477-F505 HydrophobicContact CD1-CZ 3.96Å; L477-F505 HydrophobicContact CD2-CE2 4.33Å; L477-F505 HydrophobicContact CD2-CZ 3.62Å; L477-F505 HydrophobicContact CG-CZ 4.46Å
478	S	52.9	Low	51	Low	64 Å²	64	76.2 Å²	76.2	45%	0.448	41%	0.409	S	S	.	.	H	α-helix	trans	-60.4	-40.5	178.2	-174.2	0	0	0	0	111.3	F474 L476 A482	F474-S478 WeakPolarHBondContact O-CB 3.49Å; F474-S478 PolarHBondContact O-N 3.34Å; L476-S478 VanDerWaalsContact C-N 3.35Å; L476-S478 PolarHBondContact O-N 3.3Å; S478-A482 WeakPolarHBondContact O-CB 3.18Å; S478-A482 PolarHBondContact O-N 3.23Å
479	S	52.3	Low	50.8	Low	53 Å²	53	73.1 Å²	73.1	37%	0.371	40%	0.399	S	S	.	.	H	α-helix	trans	-65	-47.7	174.2	-172.9	0	0	0	0	112.9	Q475 L476 L477 L481 A482 H483	Q475-S479 WeakPolarHBondContact O-CB 3.46Å; Q475-S479 PolarHBondContact O-N 2.8Å; L476-S479 PolarHBondContact O-N 3.21Å; L477-S479 VanDerWaalsContact C-N 3.29Å; L477-S479 PolarHBondContact O-N 3.38Å; S479-L481 VanDerWaalsContact C-N 3.34Å; S479-L481 PolarHBondContact O-N 2.99Å; S479-A482 PolarHBondContact O-N 3.29Å; S479-H483 WeakPolarHBondContact O-CB 3.41Å; S479-H483 PolarHBondContact O-CD2 3.05Å; S479-H483 VanDerWaalsContact O-CD2 3.31Å; S479-H483 PolarHBondContact O-N 3.1Å
480	I	60.2	Low	51.2	Low	25 Å²	25	66.4 Å²	66.4	13%	0.128	38%	0.377	C	S	.	.	H	α-helix	trans	-61.8	-42.5	177.6	-67.2	154.7	0	0	0	110.8	I461 L465 L476 L477 S484	I461-I480 HydrophobicContact CG2-CD1 3.36Å; I461-I480 HydrophobicContact CG2-CG1 4.23Å; L465-I480 HydrophobicContact CD1-CD1 4.18Å; L465-I480 HydrophobicContact CD2-CD1 3.74Å; L465-I480 HydrophobicContact CG-CD1 4Å; L476-I480 HydrophobicContact CD2-CD1 4.27Å; L476-I480 HydrophobicContact CG-CD1 3.84Å; L476-I480 HydrophobicContact CG-CG1 4.41Å; L476-I480 WeakPolarHBondContact O-CB 3.4Å; L476-I480 VanDerWaalsContact O-CD1 3.3Å; L476-I480 WeakPolarHBondContact O-CD1 3.21Å; L476-I480 WeakPolarHBondContact O-CG1 3.37Å; L476-I480 PolarHBondContact O-N 2.88Å; L477-I480 PolarHBondContact O-N 3.32Å; I480-S484 VanDerWaalsContact O-CB 3.27Å; I480-S484 WeakPolarHBondContact O-CB 3.15Å; I480-S484 PolarHBondContact O-N 2.61Å; I480-S484 PolarHBondContact O-OG 2.76Å
481	L	61	Low	51.9	Low	37 Å²	37	67.7 Å²	67.7	19%	0.194	37%	0.371	C	S	.	.	H	α-helix	trans	-70.7	-39.3	178.7	-68.4	162.5	0	0	0	110.7	W247 L477 S479 S484 C485 L501	W247-L481 HydrophobicContact CH2-CB 3.95Å; W247-L481 HydrophobicContact CH2-CD1 3.57Å; W247-L481 HydrophobicContact CH2-CG 4.2Å; W247-L481 HydrophobicContact CZ2-CB 4.33Å; W247-L481 HydrophobicContact CZ2-CD1 4.31Å; W247-L481 HydrophobicContact CZ3-CD1 3.96Å; L477-L481 HydrophobicContact CB-CD1 4.43Å; L477-L481 VanDerWaalsContact O-CB 3.26Å; L477-L481 WeakPolarHBondContact O-CB 3.36Å; L477-L481 WeakPolarHBondContact O-CD1 3.08Å; L477-L481 VanDerWaalsContact O-CG 3.22Å; L477-L481 WeakPolarHBondContact O-CG 3.31Å; L477-L481 PolarHBondContact O-N 3.08Å; S479-L481 VanDerWaalsContact C-N 3.34Å; S479-L481 PolarHBondContact O-N 2.99Å; L481-S484 WeakPolarHBondContact CA-OG 3.44Å; L481-S484 CarbonylContact O-C 3.56Å; L481-S484 PolarHBondContact O-N 3.41Å; L481-S484 PolarHBondContact O-OG 2.81Å; L481-C485 WeakPolarHBondContact O-CB 3.28Å; L481-C485 PolarHBondContact O-N 2.95Å; L481-C485 PolarHBondContact O-SG 2.99Å; L481-L501 HydrophobicContact CD2-CD1 3.98Å
482	A	52	Low	52.4	Low	42 Å²	42	67.1 Å²	67.1	35%	0.347	37%	0.366	S	S	.	.	H	α-helix	trans	-62.8	-49.2	171.7	0	0	0	0	0	112.2	S478 S479 S484 C485 I486	S478-A482 WeakPolarHBondContact O-CB 3.18Å; S478-A482 PolarHBondContact O-N 3.23Å; S479-A482 PolarHBondContact O-N 3.29Å; A482-S484 VanDerWaalsContact C-N 3.35Å; A482-S484 PolarHBondContact O-N 3.47Å; A482-C485 WeakPolarHBondContact O-CB 3.37Å; A482-C485 PolarHBondContact O-N 2.91Å; A482-C485 VanDerWaalsContact O-N 3.11Å; A482-I486 WeakPolarHBondContact O-CB 3.5Å; A482-I486 WeakPolarHBondContact O-CD1 3Å; A482-I486 WeakPolarHBondContact O-CG1 3.33Å; A482-I486 PolarHBondContact O-N 3.23Å
483	H	50.7	Low	52.4	Low	100 Å²	100	69.2 Å²	69.2	46%	0.463	37%	0.374	S	S	.	.	H	α-helix	trans	-61.8	-39.7	176.4	-87.2	-99.2	0	0	0	112.2	S479 C485 I486 E487	S479-H483 WeakPolarHBondContact O-CB 3.41Å; S479-H483 PolarHBondContact O-CD2 3.05Å; S479-H483 VanDerWaalsContact O-CD2 3.31Å; S479-H483 PolarHBondContact O-N 3.1Å; H483-C485 VanDerWaalsContact C-N 3.32Å; H483-C485 PolarHBondContact O-N 3.24Å; H483-I486 PolarHBondContact O-N 2.96Å; H483-E487 PolarHBondContact O-N 2.85Å
484	S	47.5	Very low	52	Low	11 Å²	11	69.6 Å²	69.6	8%	0.077	37%	0.369	C	S	.	.	H	α-helix	trans	-79.6	-6.8	174.6	62.8	0	0	0	0	114.7	I480 L481 A482 C488 R494	I480-S484 VanDerWaalsContact O-CB 3.27Å; I480-S484 WeakPolarHBondContact O-CB 3.15Å; I480-S484 PolarHBondContact O-N 2.61Å; I480-S484 PolarHBondContact O-OG 2.76Å; L481-S484 WeakPolarHBondContact CA-OG 3.44Å; L481-S484 CarbonylContact O-C 3.56Å; L481-S484 PolarHBondContact O-N 3.41Å; L481-S484 PolarHBondContact O-OG 2.81Å; A482-S484 VanDerWaalsContact C-N 3.35Å; A482-S484 PolarHBondContact O-N 3.47Å; S484-C488 WeakPolarHBondContact O-CB 3.29Å; S484-C488 PolarHBondContact O-SG 3.46Å; S484-R494 WeakPolarHBondContact O-CG 3.43Å; S484-R494 PolarHBondContact O-NE 2.97Å; S484-R494 VanDerWaalsContact O-NE 3.09Å
485	C	44.3	Very low	52	Low	75 Å²	75	66.6 Å²	66.6	51%	0.507	36%	0.361	S	S	.	.	H	α-helix	trans	-81.6	-47.9	157.7	-74.3	0	0	0	0	110.8	L481 A482 H483 R494	L481-C485 WeakPolarHBondContact O-CB 3.28Å; L481-C485 PolarHBondContact O-N 2.95Å; L481-C485 PolarHBondContact O-SG 2.99Å; A482-C485 WeakPolarHBondContact O-CB 3.37Å; A482-C485 PolarHBondContact O-N 2.91Å; A482-C485 VanDerWaalsContact O-N 3.11Å; H483-C485 VanDerWaalsContact C-N 3.32Å; H483-C485 PolarHBondContact O-N 3.24Å; C485-R494 PolarHBondContact O-NH2 3.26Å
486	I	46	Very low	52.3	Low	136 Å²	136	63.5 Å²	63.5	70%	0.697	35%	0.348	S	S	*	.	H	α-helix	trans	-70.3	-47.2	-171.1	-68.8	162.3	0	0	0	113	A482 H483 C488	A482-I486 WeakPolarHBondContact O-CB 3.5Å; A482-I486 WeakPolarHBondContact O-CD1 3Å; A482-I486 WeakPolarHBondContact O-CG1 3.33Å; A482-I486 PolarHBondContact O-N 3.23Å; H483-I486 PolarHBondContact O-N 2.96Å; I486-C488 PolarHBondContact O-N 2.85Å
487	E	45.2	Very low	52.1	Low	84 Å²	84	62.6 Å²	62.6	39%	0.393	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	21.5	-175.3	-68.6	-153.5	75.9	0	0	114.1	S204 K205 H483	S204-E487 CarbonylContact C-O 2.82Å; K205-E487 WeakPolarHBondContact CA-O 3.05Å; K205-E487 HydrophobicContact CG-CB 4.37Å; K205-E487 WeakPolarHBondContact CG-O 3.43Å; K205-E487 PolarHBondContact N-O 3.32Å; K205-E487 IonicContact NZ-OE1 2.86Å; K205-E487 PolarHBondContact NZ-OE1 2.91Å; K205-E487 IonicContact NZ-OE2 3.37Å; H483-E487 PolarHBondContact O-N 2.85Å
488	C	44	Very low	52	Low	9 Å²	9	64.2 Å²	64.2	6%	0.061	35%	0.352	C	S	.	.			trans	-140.3	74.7	-151.2	-68.5	0	0	0	0	116.2	S203 S204 S484 I486 R494	S203-C488 VanDerWaalsContact CB-CB 3.41Å; S203-C488 VanDerWaalsContact CB-SG 3.58Å; S203-C488 VanDerWaalsContact OG-CA 3.25Å; S203-C488 WeakPolarHBondContact OG-CA 3.5Å; S203-C488 WeakPolarHBondContact OG-CB 3.34Å; S203-C488 PolarHBondContact OG-SG 3.23Å; S204-C488 VanDerWaalsContact N-C 3.35Å; S484-C488 WeakPolarHBondContact O-CB 3.29Å; S484-C488 PolarHBondContact O-SG 3.46Å; I486-C488 PolarHBondContact O-N 2.85Å; C488-R494 HydrophobicContact CB-CG 4.03Å; C488-R494 VanDerWaalsContact O-CZ 3.28Å; C488-R494 PolarHBondContact O-NH2 2.9Å
489	N	44.4	Very low	52.5	Low	143 Å²	143	66.2 Å²	66.2	77%	0.765	36%	0.357	S	S	*	.			trans	-98.6	-42.6	-176.8	-130.4	-1.9	0	0	0	120	S204	S204-N489 WeakPolarHBondContact O-CA 3.35Å; S204-N489 WeakPolarHBondContact O-CB 3.19Å; S204-N489 PolarHBondContact O-N 2.93Å; S204-N489 VanDerWaalsContact O-N 3.13Å
490	Q	50.9	Low	53.1	Low	90 Å²	90	64.3 Å²	64.3	42%	0.421	35%	0.346	S	S	.	.	S	Bend	trans	-73.7	-162.8	177.9	-49	175.4	24.6	0	0	115.5	L202 S203 S204	L202-Q490 CarbonylContact C-O 3.17Å; L202-Q490 VanDerWaalsContact CB-O 3.28Å; L202-Q490 WeakPolarHBondContact CB-O 3.21Å; S203-Q490 VanDerWaalsContact C-C 3.5Å; S203-Q490 CarbonylContact C-O 3.51Å; S203-Q490 WeakPolarHBondContact CA-O 3.47Å; S203-Q490 PolarHBondContact N-O 2.72Å; S204-Q490 PolarHBondContact O-N 3.12Å; S204-Q490 VanDerWaalsContact OG-CB 3.31Å; S204-Q490 WeakPolarHBondContact OG-CB 3.3Å; S204-Q490 WeakPolarHBondContact OG-CG 3.48Å; S204-Q490 PolarHBondContact OG-NE2 3.36Å; S204-Q490 PolarHBondContact OG-OE1 3.12Å
491	D	52.8	Low	53.3	Low	82 Å²	82	64.2 Å²	64.2	44%	0.439	35%	0.346	S	S	.	.	S	Bend	trans	-63	-55.4	164.7	52.2	-168.1	0	0	0	114.4	L202 S203 H493	L202-D491 WeakPolarHBondContact CA-O 3.47Å; L202-D491 HydrophobicContact CD2-CB 4.48Å; L202-D491 WeakPolarHBondContact CD2-O 3.36Å; S203-D491 PolarHBondContact N-O 3.28Å; S203-D491 CarbonylContact O-C 3.19Å; D491-H493 PolarHBondContact O-N 3.08Å; D491-H493 VanDerWaalsContact O-N 3.14Å
492	C	52.3	Low	53.3	Low	45 Å²	45	66.4 Å²	66.4	30%	0.304	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-62.7	-21.7	-145.3	-160.3	0	0	0	0	121.5	S203	S203-C492 WeakPolarHBondContact O-CA 3.46Å; S203-C492 PolarHBondContact O-N 3.49Å
493	H	53.2	Low	53.7	Low	78 Å²	78	69.5 Å²	69.5	36%	0.361	36%	0.361	S	S	.	.	S	Bend	trans	-127.2	-22	-171.3	-51	-129.4	0	0	0	121.6	S203 D491 S495 M496 L497	S203-H493 PolarHBondContact O-N 3.33Å; D491-H493 PolarHBondContact O-N 3.08Å; D491-H493 VanDerWaalsContact O-N 3.14Å; H493-S495 PolarHBondContact O-N 3.18Å; H493-M496 CarbonylContact O-C 3.58Å; H493-M496 WeakPolarHBondContact O-CA 3.19Å; H493-M496 WeakPolarHBondContact O-CB 3.27Å; H493-M496 PolarHBondContact O-N 3Å; H493-L497 PolarHBondContact O-N 3.45Å
494	R	52.1	Low	53.9	Low	49 Å²	49	65.1 Å²	65.1	19%	0.185	34%	0.342	C	S	.	.	H	α-helix	trans	-65.5	-45	-173.1	-89.8	-179.9	-156.7	143.5	5.1	110.1	E201 L202 S484 C485 C488 M496 L497 L498	E201-R494 IonicContact OE1-NH1 3.96Å; E201-R494 WeakPolarHBondContact OE2-CD 3.31Å; E201-R494 IonicContact OE2-CZ 3.82Å; E201-R494 IonicContact OE2-NE 2.62Å; E201-R494 IonicContact OE2-NH1 2.85Å; E201-R494 PolarHBondContact OE2-NH1 3.23Å; L202-R494 VanDerWaalsContact C-CB 3.46Å; L202-R494 VanDerWaalsContact O-CB 3.29Å; L202-R494 WeakPolarHBondContact O-CB 3.43Å; L202-R494 WeakPolarHBondContact O-CD 3.3Å; L202-R494 WeakPolarHBondContact O-CG 3.16Å; L202-R494 PolarHBondContact O-NE 2.87Å; S484-R494 WeakPolarHBondContact O-CG 3.43Å; S484-R494 PolarHBondContact O-NE 2.97Å; S484-R494 VanDerWaalsContact O-NE 3.09Å; C485-R494 PolarHBondContact O-NH2 3.26Å; C488-R494 HydrophobicContact CB-CG 4.03Å; C488-R494 VanDerWaalsContact O-CZ 3.28Å; C488-R494 PolarHBondContact O-NH2 2.9Å; R494-M496 PolarHBondContact O-N 2.81Å; R494-L497 CarbonylContact O-C 3.53Å; R494-L497 PolarHBondContact O-N 3.21Å; R494-L498 HydrophobicContact CB-CD1 4.13Å; R494-L498 WeakPolarHBondContact O-CD1 3.12Å; R494-L498 PolarHBondContact O-N 3.45Å
495	S	55.4	Low	54.2	Low	43 Å²	43	68.1 Å²	68.1	30%	0.301	35%	0.354	S	S	.	.	H	α-helix	trans	-50.4	-42	168.4	-74.3	0	0	0	0	112.3	E201 H493 L497 D499	E201-S495 WeakPolarHBondContact O-CA 3.33Å; E201-S495 WeakPolarHBondContact O-CB 3.42Å; E201-S495 PolarHBondContact O-N 2.88Å; E201-S495 PolarHBondContact O-OG 2.93Å; H493-S495 PolarHBondContact O-N 3.18Å; S495-L497 PolarHBondContact O-N 3.15Å; S495-D499 WeakPolarHBondContact O-CB 3.29Å; S495-D499 PolarHBondContact O-N 3.33Å
496	M	57.6	Low	54.7	Low	95 Å²	95	66.9 Å²	66.9	47%	0.468	35%	0.346	S	S	.	.	H	α-helix	trans	-69.2	-32.4	178.3	-61.6	-172.1	72	0	0	113.4	P454 H493 R494 G500	P454-M496 HydrophobicContact CG-CE 3.76Å; H493-M496 CarbonylContact O-C 3.58Å; H493-M496 WeakPolarHBondContact O-CA 3.19Å; H493-M496 WeakPolarHBondContact O-CB 3.27Å; H493-M496 PolarHBondContact O-N 3Å; R494-M496 PolarHBondContact O-N 2.81Å; M496-G500 PolarHBondContact O-N 3.46Å
497	L	56.1	Low	54.9	Low	35 Å²	35	63.7 Å²	63.7	18%	0.183	34%	0.335	C	S	.	.	H	α-helix	trans	-79.7	-38.4	176.5	-70.8	171.6	0	0	0	111.9	P454 Y457 H493 R494 S495 L501	P454-L497 HydrophobicContact CB-CD2 4.4Å; Y457-L497 HydrophobicContact CD1-CD2 4.34Å; H493-L497 PolarHBondContact O-N 3.45Å; R494-L497 CarbonylContact O-C 3.53Å; R494-L497 PolarHBondContact O-N 3.21Å; S495-L497 PolarHBondContact O-N 3.15Å; L497-L501 VanDerWaalsContact O-CB 3.3Å; L497-L501 WeakPolarHBondContact O-CB 3.14Å; L497-L501 VanDerWaalsContact O-CG 3.31Å; L497-L501 WeakPolarHBondContact O-CG 3.31Å; L497-L501 PolarHBondContact O-N 2.75Å
498	L	61.8	Low	55.2	Low	53 Å²	53	62.4 Å²	62.4	28%	0.277	33%	0.331	S	S	.	.	H	α-helix	trans	-67.3	-37.3	170.9	-87.4	91.6	0	0	0	111.8	V265 R494 L501 K502	V265-L498 HydrophobicContact CG1-CD2 4.5Å; V265-L498 HydrophobicContact CG2-CD2 4.37Å; R494-L498 HydrophobicContact CB-CD1 4.13Å; R494-L498 WeakPolarHBondContact O-CD1 3.12Å; R494-L498 PolarHBondContact O-N 3.45Å; L498-L501 PolarHBondContact O-N 2.89Å; L498-K502 VanDerWaalsContact O-CB 3.29Å; L498-K502 WeakPolarHBondContact O-CB 3.3Å; L498-K502 VanDerWaalsContact O-CG 3.3Å; L498-K502 WeakPolarHBondContact O-CG 3.09Å; L498-K502 PolarHBondContact O-N 2.85Å
499	D	62.1	Low	55.2	Low	106 Å²	106	65.9 Å²	65.9	57%	0.567	35%	0.347	S	S	*	.	H	α-helix	trans	-71	-41.5	176.1	-167.1	49.8	0	0	0	110.8	S495 L501 K502 Q503	S495-D499 WeakPolarHBondContact O-CB 3.29Å; S495-D499 PolarHBondContact O-N 3.33Å; D499-L501 PolarHBondContact O-N 2.93Å; D499-K502 PolarHBondContact O-N 2.81Å; D499-Q503 VanDerWaalsContact O-CB 3.31Å; D499-Q503 WeakPolarHBondContact O-CB 3.48Å; D499-Q503 PolarHBondContact O-N 3.33Å
500	G	66	Low	55.6	Low	12 Å²	12	64.8 Å²	64.8	12%	0.124	33%	0.333	C	S	.	.	H	α-helix	trans	-60.4	-39.9	169.6	0	0	0	0	0	113.3	M496 A504	M496-G500 PolarHBondContact O-N 3.46Å; G500-A504 VanDerWaalsContact O-CB 3.23Å; G500-A504 WeakPolarHBondContact O-CB 3.36Å; G500-A504 PolarHBondContact O-N 2.97Å
501	L	63.8	Low	54.9	Low	24 Å²	24	63.3 Å²	63.3	13%	0.126	33%	0.332	C	S	.	.	H	α-helix	trans	-70.6	-42.8	173.5	-79.1	165.6	0	0	0	112.2	L465 L481 L497 L498 D499 Q503 A504 F505	L465-L501 HydrophobicContact CD1-CD2 4.42Å; L481-L501 HydrophobicContact CD2-CD1 3.98Å; L497-L501 VanDerWaalsContact O-CB 3.3Å; L497-L501 WeakPolarHBondContact O-CB 3.14Å; L497-L501 VanDerWaalsContact O-CG 3.31Å; L497-L501 WeakPolarHBondContact O-CG 3.31Å; L497-L501 PolarHBondContact O-N 2.75Å; L498-L501 PolarHBondContact O-N 2.89Å; D499-L501 PolarHBondContact O-N 2.93Å; L501-Q503 VanDerWaalsContact C-N 3.31Å; L501-Q503 PolarHBondContact O-N 2.83Å; L501-A504 PolarHBondContact O-N 3.25Å; L501-F505 HydrophobicContact CB-CD2 4.44Å; L501-F505 HydrophobicContact CB-CE2 4.42Å; L501-F505 HydrophobicContact CD2-CE2 4.3Å; L501-F505 WeakPolarHBondContact O-CB 3.43Å; L501-F505 WeakPolarHBondContact O-CD2 3.16Å; L501-F505 PolarHBondContact O-N 3.44Å
502	K	60.7	Low	53.9	Low	82 Å²	82	65.6 Å²	65.6	36%	0.357	35%	0.352	S	S	.	.	H	α-helix	trans	-57.5	-45.1	173.1	-82.9	-177.6	173.6	-169.5	0	110.4	E269 L498 D499 S506	E269-K502 IonicContact OE2-NZ 2.65Å; L498-K502 VanDerWaalsContact O-CB 3.29Å; L498-K502 WeakPolarHBondContact O-CB 3.3Å; L498-K502 VanDerWaalsContact O-CG 3.3Å; L498-K502 WeakPolarHBondContact O-CG 3.09Å; L498-K502 PolarHBondContact O-N 2.85Å; D499-K502 PolarHBondContact O-N 2.81Å; K502-S506 WeakPolarHBondContact O-CB 3.37Å; K502-S506 PolarHBondContact O-N 2.88Å
503	Q	61.8	Low	53.1	Low	108 Å²	108	68.5 Å²	68.5	51%	0.505	37%	0.369	S	S	.	.	H	α-helix	trans	-66.4	-42.9	176.7	-170.4	169.7	45.1	0	0	111.6	D499 L501 S506 S507	D499-Q503 VanDerWaalsContact O-CB 3.31Å; D499-Q503 WeakPolarHBondContact O-CB 3.48Å; D499-Q503 PolarHBondContact O-N 3.33Å; L501-Q503 VanDerWaalsContact C-N 3.31Å; L501-Q503 PolarHBondContact O-N 2.83Å; Q503-S506 PolarHBondContact O-N 3.21Å; Q503-S507 WeakPolarHBondContact O-CB 3.24Å; Q503-S507 PolarHBondContact O-N 3.44Å; Q503-S507 PolarHBondContact O-OG 2.72Å
504	A	53.9	Low	52	Low	8 Å²	8	69.6 Å²	69.6	7%	0.066	39%	0.385	C	S	.	.	H	α-helix	trans	-59.1	-52.4	174.9	0	0	0	0	0	112.2	L462 G500 L501 S506 S507 I508	L462-A504 HydrophobicContact CD1-CB 3.81Å; L462-A504 HydrophobicContact CD2-CB 4Å; L462-A504 HydrophobicContact CG-CB 3.95Å; G500-A504 VanDerWaalsContact O-CB 3.23Å; G500-A504 WeakPolarHBondContact O-CB 3.36Å; G500-A504 PolarHBondContact O-N 2.97Å; L501-A504 PolarHBondContact O-N 3.25Å; A504-S506 PolarHBondContact O-N 2.9Å; A504-S507 PolarHBondContact O-N 3.45Å; A504-I508 VanDerWaalsContact O-CG1 3.28Å; A504-I508 WeakPolarHBondContact O-CG1 3.46Å; A504-I508 PolarHBondContact O-N 3.38Å
505	F	53.6	Low	51	Low	74 Å²	74	73.5 Å²	73.5	33%	0.325	41%	0.414	S	S	.	.	H	α-helix	trans	-62	-40.5	176.3	-74.6	-60.3	0	0	0	112.3	L477 L501 I508 M509	L477-F505 HydrophobicContact CD1-CE1 4.48Å; L477-F505 HydrophobicContact CD1-CZ 3.96Å; L477-F505 HydrophobicContact CD2-CE2 4.33Å; L477-F505 HydrophobicContact CD2-CZ 3.62Å; L477-F505 HydrophobicContact CG-CZ 4.46Å; L501-F505 HydrophobicContact CB-CD2 4.44Å; L501-F505 HydrophobicContact CB-CE2 4.42Å; L501-F505 HydrophobicContact CD2-CE2 4.3Å; L501-F505 WeakPolarHBondContact O-CB 3.43Å; L501-F505 WeakPolarHBondContact O-CD2 3.16Å; L501-F505 PolarHBondContact O-N 3.44Å; F505-I508 HydrophobicContact CD1-CD1 4.49Å; F505-I508 PolarHBondContact O-N 3.03Å; F505-M509 WeakPolarHBondContact O-CB 3.45Å; F505-M509 VanDerWaalsContact O-CG 3.24Å; F505-M509 WeakPolarHBondContact O-CG 3.35Å; F505-M509 PolarHBondContact O-N 3.24Å
506	S	55.9	Low	49.8	Very low	49 Å²	49	76.7 Å²	76.7	34%	0.343	43%	0.433	S	S	.	.	H	α-helix	trans	-60	-45.2	174.6	-174.2	0	0	0	0	111.5	K502 Q503 A504 I508 M509 Y510	K502-S506 WeakPolarHBondContact O-CB 3.37Å; K502-S506 PolarHBondContact O-N 2.88Å; Q503-S506 PolarHBondContact O-N 3.21Å; A504-S506 PolarHBondContact O-N 2.9Å; S506-I508 PolarHBondContact O-N 2.94Å; S506-M509 PolarHBondContact O-N 2.91Å; S506-Y510 WeakPolarHBondContact O-CB 3.25Å; S506-Y510 WeakPolarHBondContact O-CD2 3.08Å; S506-Y510 PolarHBondContact O-N 3.04Å; S506-Y510 WeakPolarHBondContact OG-CD2 3.3Å
507	S	50.1	Low	48.7	Very low	68 Å²	68	77.5 Å²	77.5	48%	0.476	45%	0.448	S	S	.	.	H	α-helix	trans	-63.6	-38.7	175.2	-69.6	0	0	0	0	113	Q503 A504 S511	Q503-S507 WeakPolarHBondContact O-CB 3.24Å; Q503-S507 PolarHBondContact O-N 3.44Å; Q503-S507 PolarHBondContact O-OG 2.72Å; A504-S507 PolarHBondContact O-N 3.45Å; S507-S511 WeakPolarHBondContact O-CB 3.41Å; S507-S511 PolarHBondContact O-N 2.84Å; S507-S511 PolarHBondContact O-OG 2.96Å
508	I	50.8	Low	47.4	Very low	58 Å²	58	81.8 Å²	81.8	30%	0.297	48%	0.476	S	S	.	.	H	α-helix	trans	-66.5	-48.3	175.5	-62.9	160.8	0	0	0	111.1	L462 I466 A504 F505 S506	L462-I508 HydrophobicContact CD2-CD1 3.76Å; L462-I508 HydrophobicContact CD2-CG1 4.09Å; I466-I508 HydrophobicContact CD1-CD1 3.7Å; I466-I508 HydrophobicContact CD1-CG1 3.78Å; I466-I508 HydrophobicContact CG1-CD1 4.08Å; A504-I508 VanDerWaalsContact O-CG1 3.28Å; A504-I508 WeakPolarHBondContact O-CG1 3.46Å; A504-I508 PolarHBondContact O-N 3.38Å; F505-I508 HydrophobicContact CD1-CD1 4.49Å; F505-I508 PolarHBondContact O-N 3.03Å; S506-I508 PolarHBondContact O-N 2.94Å
509	M	44	Very low	46.1	Very low	81 Å²	81	84.5 Å²	84.5	40%	0.399	50%	0.497	S	S	.	.	H	α-helix	trans	-74.7	-32.5	-172.1	-67.7	-65.5	-66	0	0	113.6	L277 F505 S506	L277-M509 HydrophobicContact CD2-CB 4.2Å; F505-M509 WeakPolarHBondContact O-CB 3.45Å; F505-M509 VanDerWaalsContact O-CG 3.24Å; F505-M509 WeakPolarHBondContact O-CG 3.35Å; F505-M509 PolarHBondContact O-N 3.24Å; S506-M509 PolarHBondContact O-N 2.91Å
510	Y	52.4	Low	44.7	Very low	121 Å²	121	85.9 Å²	85.9	48%	0.475	51%	0.51	S	S	.	.	H	α-helix	trans	-97.1	0.7	-179.5	-68	-62.4	0	0	0	114.6	L277 S280 S506 P512	L277-Y510 HydrophobicContact CD2-CD2 4.17Å; L277-Y510 HydrophobicContact CD2-CE2 3.37Å; S280-Y510 WeakPolarHBondContact OG-CE1 3.39Å; S280-Y510 PolarHBondContact OG-OH 3.33Å; S506-Y510 WeakPolarHBondContact O-CB 3.25Å; S506-Y510 WeakPolarHBondContact O-CD2 3.08Å; S506-Y510 PolarHBondContact O-N 3.04Å; S506-Y510 WeakPolarHBondContact OG-CD2 3.3Å; Y510-P512 WeakPolarHBondContact O-CD 3.34Å
511	S	37.5	Very low	43.1	Very low	58 Å²	58	91.4 Å²	91.4	41%	0.406	54%	0.541	S	S	.	.			trans	-119.7	87.3	179.8	-41.8	0	0	0	0	111.2	S507 T513	S507-S511 WeakPolarHBondContact O-CB 3.41Å; S507-S511 PolarHBondContact O-N 2.84Å; S507-S511 PolarHBondContact O-OG 2.96Å; S511-T513 PolarHBondContact O-N 3.28Å
512	P	31.2	Very low	41.5	Very low	131 Å²	131	97.7 Å²	97.7	85%	0.851	58%	0.575	S	S	*	*			trans	-72.5	56	164.2	33.6	-35.7	0	0	0	109.9	Y510 S514	Y510-P512 WeakPolarHBondContact O-CD 3.34Å; P512-S514 PolarHBondContact O-N 2.84Å
513	T	35.6	Very low	40.2	Very low	106 Å²	106	102.7 Å²	102.7	65%	0.65	60%	0.599	S	S	*	*			trans	-74.2	108.2	178.1	-59.6	0	0	0	0	108	S511 V515	S511-T513 PolarHBondContact O-N 3.28Å; T513-V515 PolarHBondContact O-N 3.32Å
514	S	30.4	Very low	38.7	Very low	100 Å²	100	103.1 Å²	103.1	70%	0.699	61%	0.609	S	S	*	*			trans	-45.1	124	168.5	39.1	0	0	0	0	110.8	P512 P516	P512-S514 PolarHBondContact O-N 2.84Å; S514-P516 WeakPolarHBondContact O-CD 3.46Å; S514-P516 VanDerWaalsContact O-N 3.17Å
515	V	30.8	Very low	37.7	Very low	131 Å²	131	113.3 Å²	113.3	79%	0.794	65%	0.648	S	S	*	*			trans	-60.5	118.4	176.2	-177.5	0	0	0	0	107.9	T513 S517	T513-V515 PolarHBondContact O-N 3.32Å; V515-S517 PolarHBondContact O-N 3.46Å
516	P	30.8	Very low	36.8	Very low	110 Å²	110	120.4 Å²	120.4	71%	0.714	67%	0.674	S	S	*	*			trans	-72	104.4	178.8	-15.8	31.3	0	0	0	109	S514 T518	S514-P516 WeakPolarHBondContact O-CD 3.46Å; S514-P516 VanDerWaalsContact O-N 3.17Å; P516-T518 PolarHBondContact O-N 2.92Å; P516-T518 VanDerWaalsContact O-N 3.15Å
517	S	33	Very low	35.6	Very low	112 Å²	112	121.9 Å²	121.9	78%	0.783	70%	0.697	S	S	*	*			trans	-61.2	115.2	167.6	38.7	0	0	0	0	108.6	V515 P519	V515-S517 PolarHBondContact O-N 3.46Å; S517-P519 VanDerWaalsContact O-CD 3.29Å; S517-P519 WeakPolarHBondContact O-CD 3.42Å
518	T	30	Very low	34.9	Very low	126 Å²	126	123.7 Å²	123.7	77%	0.773	72%	0.716	S	S	*	*			trans	-63	116.8	-172.3	48.3	0	0	0	0	111.4	P516 T520	P516-T518 PolarHBondContact O-N 2.92Å; P516-T518 VanDerWaalsContact O-N 3.15Å; T518-T520 PolarHBondContact O-N 3.48Å
519	P	33.5	Very low	33.9	Very low	109 Å²	109	128.4 Å²	128.4	71%	0.708	74%	0.742	S	S	*	*			trans	-77.8	118.4	177.7	30.6	-32.4	0	0	0	110.3	S517 T521	S517-P519 VanDerWaalsContact O-CD 3.29Å; S517-P519 WeakPolarHBondContact O-CD 3.42Å; P519-T521 HydrophobicContact CB-CG2 4.46Å; P519-T521 PolarHBondContact O-N 3.09Å
520	T	32.4	Very low	33.6	Very low	136 Å²	136	129.6 Å²	129.6	83%	0.834	76%	0.756	S	S	*	*			trans	-76.1	87	170.4	49	0	0	0	0	109.9	T518 N522	T518-T520 PolarHBondContact O-N 3.48Å; T520-N522 VanDerWaalsContact C-N 3.35Å; T520-N522 PolarHBondContact O-N 3.37Å
521	T	33.1	Very low	32.7	Very low	128 Å²	128	129.6 Å²	129.6	79%	0.785	77%	0.768	S	S	*	*			trans	-76.1	81.3	-179.7	54.1	0	0	0	0	112.4	P519	P519-T521 HydrophobicContact CB-CG2 4.46Å; P519-T521 PolarHBondContact O-N 3.09Å
522	N	29.9	Very low	32.2	Very low	155 Å²	155	137.4 Å²	137.4	83%	0.829	79%	0.79	S	S	*	*			trans	-104	100.1	147.7	-85.9	-17	0	0	0	107.6	T520	T520-N522 VanDerWaalsContact C-N 3.35Å; T520-N522 PolarHBondContact O-N 3.37Å
523	E	33.5	Very low	32.2	Very low	187 Å²	187	136 Å²	136	87%	0.874	78%	0.784	S	S	*	*			trans	-171.3	152.5	135.1	-110.3	172.2	-158.2	0	0	112
524	V	30.8	Very low	31.9	Very low	117 Å²	117	139 Å²	139	71%	0.709	78%	0.783	S	S	*	*			trans	-106.5	127.5	176.7	172.4	0	0	0	0	107.7
525	Y	32.9	Very low	32	Very low	223 Å²	223	137.3 Å²	137.3	88%	0.875	77%	0.771	S	S	*	*			trans	-145.9	132	153.9	-109.3	-75.6	0	0	0	112.5
526	Y	34.2	Very low	32.1	Very low	222 Å²	222	138.2 Å²	138.2	87%	0.871	77%	0.766	S	S	*	*			trans	-81	140	167.6	-92.1	-104.6	0	0	0	109.3
527	G	30.3	Very low	32.2	Very low	81 Å²	81	136 Å²	136	84%	0.835	75%	0.754	S	S	*	*			trans	-89	179.6	-169.3	0	0	0	0	0	116
528	A	35.5	Very low	32.2	Very low	106 Å²	106	135.4 Å²	135.4	88%	0.876	75%	0.75	S	S	*	*			trans	-151.4	141.2	157.3	0	0	0	0	0	110.7
529	D	30.6	Very low	32.4	Very low	156 Å²	156	136.6 Å²	136.6	83%	0.834	75%	0.748	S	S	*	*			trans	-69.1	-178.2	169.1	-90.8	-56.3	0	0	0	113
530	P	37.3	Very low	32.4	Very low	107 Å²	107	138.4 Å²	138.4	70%	0.695	75%	0.751	S	S	*	*			cis	-139.1	-158.4	-23.2	27.2	-2.9	0	0	0	114.1
531	V	33.6	Very low	32.4	Very low	121 Å²	121	142.2 Å²	142.2	73%	0.733	75%	0.75	S	S	*	*			trans	103.5	95.5	148	-166.6	0	0	0	0	120.6
532	Y	27.7	Very low	32.5	Very low	221 Å²	221	144.5 Å²	144.5	87%	0.867	75%	0.752	S	S	*	*				51	148.3	123.2	-102.7	-95.2	0	0	0	125.6
533	S	29.6	Very low	32.9	Very low	103 Å²	103	142.4 Å²	142.4	72%	0.72	74%	0.741	S	S	*	*			trans	98.5	81.3	148.3	-60.6	0	0	0	0	122.4
534	R	29.3	Very low	33	Very low	167 Å²	167	142.8 Å²	142.8	63%	0.63	74%	0.739	S	S	*	*				16.2	125.9	129.3	-159.2	-178.8	-158.8	-160.6	14.7	120.3	E600 S601	R534-E600 WeakPolarHBondContact CD-OE1 3.46Å; R534-E600 VanDerWaalsContact CD-OE2 3.28Å; R534-E600 WeakPolarHBondContact CD-OE2 3.48Å; R534-E600 HydrophobicContact CG-CG 4.31Å; R534-E600 WeakPolarHBondContact CG-OE2 2.82Å; R534-E600 IonicContact CZ-OE1 3.71Å; R534-E600 VanDerWaalsContact CZ-OE1 3.25Å; R534-E600 IonicContact NE-OE1 3.36Å; R534-E600 PolarHBondContact NE-OE1 2.85Å; R534-E600 IonicContact NH1-OE1 3.84Å; R534-E600 PolarHBondContact NH1-OE1 3.16Å; R534-S601 PolarHBondContact NE-OG 3.17Å; R534-S601 PolarHBondContact NH1-OG 3.18Å; R534-S601 PolarHBondContact NH2-OG 3.25Å
535	S	33.3	Very low	33.3	Very low	65 Å²	65	146 Å²	146	46%	0.455	75%	0.747	S	S	.	*			trans	-172	150.5	142.9	-89.2	0	0	0	0	112	S599	S535-S599 WeakPolarHBondContact CB-OG 3.23Å; S535-S599 PolarHBondContact OG-OG 2.96Å
536	H	33	Very low	33.3	Very low	150 Å²	150	144.5 Å²	144.5	69%	0.694	75%	0.748	S	S	*	*			trans	-160	146.7	-180	-173.4	-71.8	0	0	0	109.7	S599 E600	H536-S599 CarbonylContact O-C 3.08Å; H536-S599 VanDerWaalsContact O-CA 3.26Å; H536-S599 WeakPolarHBondContact O-CA 3.36Å; H536-E600 WeakPolarHBondContact O-CA 3.46Å; H536-E600 PolarHBondContact O-N 2.75Å
537	S	33.2	Very low	33.5	Very low	64 Å²	64	138.4 Å²	138.4	45%	0.448	74%	0.736	S	S	.	*			trans	-156.5	-168.5	-179.5	-157.9	0	0	0	0	113.7	F598 S599	S537-F598 WeakPolarHBondContact CB-O 3.49Å; S537-F598 PolarHBondContact OG-O 3.17Å; S537-S599 WeakPolarHBondContact CB-O 3.28Å; S537-S599 PolarHBondContact OG-O 3.43Å
538	S	33	Very low	33.5	Very low	100 Å²	100	141.9 Å²	141.9	70%	0.699	73%	0.733	S	S	*	*			trans	-157.8	146.8	-167.5	-160.1	0	0	0	0	116.2
539	M	33.8	Very low	33.3	Very low	150 Å²	150	143.4 Å²	143.4	74%	0.739	73%	0.732	S	S	*	*			trans	71.8	125.4	148	-73.2	-91.1	83.3	0	0	123.7
540	L	33.6	Very low	33.3	Very low	147 Å²	147	138.4 Å²	138.4	77%	0.77	72%	0.718	S	S	*	*			trans	81.4	118.2	138.3	-66.5	167.7	0	0	0	122.2
541	R	32	Very low	32.9	Very low	217 Å²	217	144 Å²	144	82%	0.819	73%	0.726	S	S	*	*			trans	-120.9	149.4	133.6	-81.4	-176.6	167.5	-133.2	3.5	108.6
542	E	36.2	Very low	33	Very low	176 Å²	176	144.2 Å²	144.2	82%	0.822	73%	0.728	S	S	*	*			trans	-121.1	146.6	145.8	-161.4	-174.1	149.7	0	0	108
543	N	36.6	Very low	33.3	Very low	111 Å²	111	139.5 Å²	139.5	59%	0.594	72%	0.722	S	S	*	*			trans	-108.9	148.8	-180	-55.8	-60.8	0	0	0	110.5
544	K	36.8	Very low	33.7	Very low	194 Å²	194	139.9 Å²	139.9	84%	0.843	72%	0.722	S	S	*	*				-159.8	134.7	127.1	-110	145.3	-168.2	152.9	0	112.9
545	E	35.9	Very low	33.9	Very low	186 Å²	186	136.3 Å²	136.3	87%	0.869	72%	0.719	S	S	*	*			trans	-86.7	151.2	168.8	-58.7	165.4	95.6	0	0	109.9
546	Q	34.5	Very low	33.8	Very low	190 Å²	190	143.1 Å²	143.1	89%	0.888	74%	0.735	S	S	*	*			trans	-161.5	163	149.2	-112.4	-167	18.4	0	0	109.8
547	P	36.9	Very low	33.8	Very low	95 Å²	95	144.5 Å²	144.5	62%	0.617	73%	0.733	S	S	*	*				-132.8	179.2	-108.6	42.6	-26.7	0	0	0	115.2
548	I	31.4	Very low	33.8	Very low	153 Å²	153	148 Å²	148	79%	0.785	74%	0.742	S	S	*	*			trans	39.6	103.6	153.7	-56.2	152	0	0	0	116.6
549	T	31.8	Very low	33.7	Very low	138 Å²	138	149.5 Å²	149.5	85%	0.847	74%	0.742	S	S	*	*				-174	140.1	121.2	16	0	0	0	0	113
550	G	29.7	Very low	33.6	Very low	52 Å²	52	147.3 Å²	147.3	54%	0.536	74%	0.741	S	S	.	*			trans	90.4	122.6	131.7	0	0	0	0	0	120.8
551	Y	29.3	Very low	33.4	Very low	223 Å²	223	145.1 Å²	145.1	88%	0.875	74%	0.738	S	S	*	*			trans	73	118.8	131.5	-58.1	-68.5	0	0	0	122.3
552	T	34.6	Very low	33.4	Very low	126 Å²	126	141.5 Å²	141.5	77%	0.773	74%	0.739	S	S	*	*			trans	90.3	108.6	135.3	-55.2	0	0	0	0	119.9
553	V	33.9	Very low	33.2	Very low	122 Å²	122	136.1 Å²	136.1	74%	0.739	73%	0.731	S	S	*	*			trans	-68	133.2	166.8	168.9	0	0	0	0	112	V555	V553-V555 HydrophobicContact CG1-CG2 3.78Å
554	P	39.4	Very low	33.1	Very low	111 Å²	111	139.4 Å²	139.4	72%	0.721	74%	0.74	S	S	*	*				-125.8	144.3	110	-1.6	23.6	0	0	0	111.8
555	V	31.9	Very low	32.8	Very low	93 Å²	93	135.4 Å²	135.4	56%	0.564	73%	0.732	S	S	*	*				62.2	114.6	55	179.5	0	0	0	0	111.4	V553	V553-V555 HydrophobicContact CG1-CG2 3.78Å
556	R	32.5	Very low	32.9	Very low	208 Å²	208	132.9 Å²	132.9	79%	0.785	73%	0.725	S	S	*	*				-151.9	142.3	56.7	-125.7	141	177.2	166.4	0.2	109.4
557	R	32.5	Very low	33.1	Very low	178 Å²	178	128.3 Å²	128.3	67%	0.672	71%	0.714	S	S	*	*				44.9	144.5	85.8	-43.5	-179.6	172.7	97.2	-8.5	114.1
558	H	33.5	Very low	33	Very low	137 Å²	137	130.9 Å²	130.9	63%	0.634	72%	0.722	S	S	*	*			cis	-142.9	150.4	31.7	-100.3	-88.7	0	0	0	111
559	L	31.6	Very low	33.3	Very low	133 Å²	133	129.3 Å²	129.3	70%	0.696	72%	0.724	S	S	*	*				52.1	147.2	97.8	-83.1	70	0	0	0	115.2
560	S	31.3	Very low	33.4	Very low	103 Å²	103	128.5 Å²	128.5	72%	0.72	72%	0.721	S	S	*	*			cis	-155.9	144.7	16.2	3.3	0	0	0	0	110.1
561	C	29.9	Very low	33.9	Very low	102 Å²	102	132 Å²	132	69%	0.689	73%	0.732	S	S	*	*				82.7	138.4	68.9	-55.7	0	0	0	0	115.8
562	V	31.6	Very low	34.3	Very low	140 Å²	140	126.3 Å²	126.3	85%	0.848	73%	0.725	S	S	*	*			trans	59.6	150.2	169.5	-118.5	0	0	0	0	116.8	F564	V562-F564 HydrophobicContact CG1-CE2 4.46Å
563	G	30.6	Very low	34.2	Very low	64 Å²	64	127.4 Å²	127.4	66%	0.66	73%	0.725	S	S	*	*			cis	-160.9	-169.6	-6.2	0	0	0	0	0	108.2
564	F	34.7	Very low	34.4	Very low	179 Å²	179	128.4 Å²	128.4	79%	0.785	73%	0.725	S	S	*	*			cis	-161.2	159.5	22.7	-101.4	-95.6	0	0	0	111.1	V562	V562-F564 HydrophobicContact CG1-CE2 4.46Å
565	T	32.2	Very low	34.2	Very low	110 Å²	110	130.3 Å²	130.3	68%	0.675	73%	0.729	S	S	*	*			trans	1.7	149.9	147.1	61.4	0	0	0	0	119.8
566	D	37.3	Very low	34.8	Very low	134 Å²	134	130.9 Å²	130.9	72%	0.717	74%	0.737	S	S	*	*			cis	-160.4	-165.7	22.1	-142	46.1	0	0	0	110
567	S	38	Very low	35.1	Very low	94 Å²	94	126.4 Å²	126.4	66%	0.657	74%	0.735	S	S	*	*			cis	-158.2	156.2	12	49.1	0	0	0	0	116.3
568	L	36.3	Very low	35.1	Very low	148 Å²	148	123.9 Å²	123.9	78%	0.775	74%	0.74	S	S	*	*			trans	33.4	109.5	140.5	-57.5	171.6	0	0	0	122.3
569	S	36.9	Very low	35.3	Very low	121 Å²	121	126.1 Å²	126.1	85%	0.846	75%	0.75	S	S	*	*				171.8	121.2	107.8	-74	0	0	0	0	113.8
570	P	34.6	Very low	35.4	Very low	120 Å²	120	124.9 Å²	124.9	78%	0.779	74%	0.744	S	S	*	*			trans	-113.6	170.9	177.3	40.4	-32.6	0	0	0	114.4
571	V	39.4	Very low	35.6	Very low	127 Å²	127	126.6 Å²	126.6	77%	0.77	75%	0.745	S	S	*	*			trans	169.9	115.9	135.4	149.9	0	0	0	0	114
572	S	37.2	Very low	35.9	Very low	102 Å²	102	126.7 Å²	126.7	71%	0.713	75%	0.746	S	S	*	*			trans	62.6	153.8	149.4	77.1	0	0	0	0	120.9
573	L	32.5	Very low	36.2	Very low	149 Å²	149	127.2 Å²	127.2	78%	0.78	74%	0.739	S	S	*	*			cis	-162.2	155.4	-4.7	-120.9	164.4	0	0	0	109.3
574	I	38.4	Very low	36.4	Very low	143 Å²	143	128 Å²	128	73%	0.733	74%	0.74	S	S	*	*			trans	79.9	115.5	158.5	-57.9	154.7	0	0	0	119.1
575	D	36.3	Very low	36.5	Very low	151 Å²	151	127.5 Å²	127.5	81%	0.807	74%	0.74	S	S	*	*			trans	60.4	162.1	148.8	-117.1	-48.6	0	0	0	124.6
576	S	42.7	Very low	36.6	Very low	106 Å²	106	128 Å²	128	74%	0.741	74%	0.738	S	S	*	*			trans	73.2	152.4	172.4	-71.5	0	0	0	0	117.6
577	P	39.7	Very low	36.6	Very low	114 Å²	114	129 Å²	129	74%	0.74	74%	0.742	S	S	*	*				-118.4	154.8	-124.9	40.2	-34.6	0	0	0	117
578	T	31.8	Very low	36.5	Very low	125 Å²	125	132.1 Å²	132.1	77%	0.767	75%	0.75	S	S	*	*			trans	-169.4	141.7	140.9	8.9	0	0	0	0	111.9	N580	T578-N580 PolarHBondContact O-ND2 3.06Å
579	H	39.2	Very low	36.7	Very low	184 Å²	184	130.5 Å²	130.5	85%	0.852	75%	0.748	S	S	*	*			trans	-109.4	116	160.2	-131.7	-83.6	0	0	0	104.5
580	N	33.2	Very low	36.9	Very low	106 Å²	106	132.9 Å²	132.9	57%	0.567	75%	0.746	S	S	*	*			cis	62.2	133.3	46	-63	-66.5	0	0	0	112.2	T578	T578-N580 PolarHBondContact O-ND2 3.06Å
581	L	35.4	Very low	37.2	Very low	140 Å²	140	132.6 Å²	132.6	73%	0.733	74%	0.744	S	S	*	*			cis	-159.5	139.1	2.3	-124.9	165.5	0	0	0	110.8
582	S	36.1	Very low	36.9	Very low	104 Å²	104	130.8 Å²	130.8	73%	0.727	74%	0.737	S	S	*	*				-169.7	161.6	116.2	-117.5	0	0	0	0	111.4
583	E	36.8	Very low	36.7	Very low	150 Å²	150	134.5 Å²	134.5	70%	0.701	74%	0.743	S	S	*	*			trans	-59.3	145.8	-164.4	-57.7	96.7	119.9	0	0	114.7
584	A	36.5	Very low	36.9	Very low	81 Å²	81	133.1 Å²	133.1	67%	0.669	75%	0.746	S	S	*	*			cis	69	135.1	43.8	0	0	0	0	0	112.8
585	H	36.6	Very low	36.9	Very low	169 Å²	169	130 Å²	130	78%	0.782	75%	0.75	S	S	*	*			cis	-137.8	161.3	7	-85.3	-89.8	0	0	0	108.3
586	N	33.1	Very low	37.1	Very low	120 Å²	120	127.3 Å²	127.3	64%	0.642	74%	0.742	S	S	*	*	S	Bend	cis	-148.1	144	7	-101	-30	0	0	0	109.3
587	I	38.7	Very low	36.9	Very low	156 Å²	156	131.7 Å²	131.7	80%	0.8	74%	0.744	S	S	*	*			trans	44.1	77.4	150.7	-44.4	172.3	0	0	0	115.1
588	L	36	Very low	37	Very low	159 Å²	159	132.9 Å²	132.9	83%	0.832	74%	0.738	S	S	*	*			cis	76.7	126.3	38.4	-159.5	76.5	0	0	0	114.1
589	P	38.7	Very low	37.5	Very low	113 Å²	113	129.4 Å²	129.4	73%	0.734	72%	0.719	S	S	*	*			cis	-133.9	165	-15.9	36.8	-18.9	0	0	0	117.9
590	H	42.8	Very low	37.7	Very low	171 Å²	171	125.2 Å²	125.2	79%	0.792	70%	0.699	S	S	*	*			trans	-57.6	179.1	155.9	-79.8	-75.9	0	0	0	114.4
591	P	39.3	Very low	38.3	Very low	115 Å²	115	123 Å²	123	75%	0.747	69%	0.692	S	S	*	*			cis	-131.8	-177.6	17.4	46	-28.7	0	0	0	115
592	S	33.6	Very low	38.2	Very low	89 Å²	89	121.5 Å²	121.5	62%	0.622	69%	0.693	S	S	*	*			cis	-146.1	140.7	11.5	-34.9	0	0	0	0	113.1
593	E	33.3	Very low	38.3	Very low	179 Å²	179	122.1 Å²	122.1	84%	0.836	69%	0.694	S	S	*	*			trans	47.9	119.4	138.8	-57.5	173.6	132.4	0	0	121.6
594	S	36.3	Very low	38.5	Very low	120 Å²	120	120.9 Å²	120.9	84%	0.839	70%	0.702	S	S	*	*				-177.5	132	-70.5	58	0	0	0	0	115.2
595	G	37.9	Very low	38.3	Very low	79 Å²	79	125.4 Å²	125.4	81%	0.814	71%	0.709	S	S	*	*			trans	96.4	172.1	157.6	0	0	0	0	0	119.3
596	S	40.8	Very low	38.1	Very low	93 Å²	93	124.6 Å²	124.6	65%	0.65	71%	0.709	S	S	*	*			cis	179.9	136.8	-17.2	54.8	0	0	0	0	115
597	Y	39	Very low	38	Very low	198 Å²	198	125.2 Å²	125.2	78%	0.776	71%	0.712	S	S	*	*			trans	65.7	163	151.7	-54.3	-38.6	0	0	0	120.7
598	F	42	Very low	37.9	Very low	139 Å²	139	123.3 Å²	123.3	61%	0.61	71%	0.707	S	S	*	*			cis	-162.1	149.8	-24	-108.1	-42.3	0	0	0	111.9	S537	S537-F598 WeakPolarHBondContact CB-O 3.49Å; S537-F598 PolarHBondContact OG-O 3.17Å
599	S	42.8	Very low	37.8	Very low	52 Å²	52	121.7 Å²	121.7	36%	0.364	70%	0.7	S	S	.	*			trans	39.8	151.7	149.6	-43.5	0	0	0	0	123.4	S535 H536 S537	S535-S599 WeakPolarHBondContact CB-OG 3.23Å; S535-S599 PolarHBondContact OG-OG 2.96Å; H536-S599 CarbonylContact O-C 3.08Å; H536-S599 VanDerWaalsContact O-CA 3.26Å; H536-S599 WeakPolarHBondContact O-CA 3.36Å; S537-S599 WeakPolarHBondContact CB-O 3.28Å; S537-S599 PolarHBondContact OG-O 3.43Å
600	E	43.1	Very low	37.6	Very low	96 Å²	96	123.6 Å²	123.6	45%	0.449	70%	0.698	S	S	.	*			cis	-154.4	144.1	-14.6	-134	-158.3	59.5	0	0	114.7	R534 H536	R534-E600 WeakPolarHBondContact CD-OE1 3.46Å; R534-E600 VanDerWaalsContact CD-OE2 3.28Å; R534-E600 WeakPolarHBondContact CD-OE2 3.48Å; R534-E600 HydrophobicContact CG-CG 4.31Å; R534-E600 WeakPolarHBondContact CG-OE2 2.82Å; R534-E600 IonicContact CZ-OE1 3.71Å; R534-E600 VanDerWaalsContact CZ-OE1 3.25Å; R534-E600 IonicContact NE-OE1 3.36Å; R534-E600 PolarHBondContact NE-OE1 2.85Å; R534-E600 IonicContact NH1-OE1 3.84Å; R534-E600 PolarHBondContact NH1-OE1 3.16Å; H536-E600 WeakPolarHBondContact O-CA 3.46Å; H536-E600 PolarHBondContact O-N 2.75Å
601	S	45.6	Very low	37.1	Very low	59 Å²	59	120.2 Å²	120.2	41%	0.413	69%	0.694	S	S	.	*			trans	87.7	151.7	135.7	-79	0	0	0	0	127.6	R534	R534-S601 PolarHBondContact NE-OG 3.17Å; R534-S601 PolarHBondContact NH1-OG 3.18Å; R534-S601 PolarHBondContact NH2-OG 3.25Å
602	C	32.8	Very low	37	Very low	110 Å²	110	125.1 Å²	125.1	74%	0.743	70%	0.704	S	S	*	*			trans	-128.6	-163.2	-174.6	-11.5	0	0	0	0	110.5
603	P	37.9	Very low	36.9	Very low	117 Å²	117	129.3 Å²	129.3	76%	0.76	71%	0.713	S	S	*	*			cis	-135.6	-177	-26.7	39.1	-21.8	0	0	0	114.2
604	S	42.7	Very low	36.8	Very low	124 Å²	124	125.4 Å²	125.4	87%	0.867	71%	0.706	S	S	*	*			trans	-175.4	168.3	147.6	25.7	0	0	0	0	115.8
605	H	30.8	Very low	36.6	Very low	175 Å²	175	128.2 Å²	128.2	81%	0.81	71%	0.706	S	S	*	*			trans	-100.8	173.8	-164.9	-71.2	-115.4	0	0	0	116.4
606	I	33	Very low	36.2	Very low	152 Å²	152	130.4 Å²	130.4	78%	0.779	70%	0.703	S	S	*	*			trans	64.6	150.2	154.5	55.7	169.3	0	0	0	118.4
607	N	31.7	Very low	35.7	Very low	134 Å²	134	131.9 Å²	131.9	72%	0.717	71%	0.709	S	S	*	*			cis	-161.1	162.7	10.6	-135.2	-0	0	0	0	113.9
608	V	36	Very low	35.4	Very low	115 Å²	115	127.3 Å²	127.3	70%	0.697	71%	0.705	S	S	*	*			trans	76.4	123	140	162.5	0	0	0	0	124.2
609	D	33	Very low	35	Very low	126 Å²	126	128.2 Å²	128.2	67%	0.674	72%	0.716	S	S	*	*			trans	80.6	140.7	142.4	-88.9	-42.8	0	0	0	129.8
610	H	35.5	Very low	34.6	Very low	153 Å²	153	129.8 Å²	129.8	71%	0.708	73%	0.727	S	S	*	*			trans	54.1	110.1	147.3	-71.7	-38.3	0	0	0	124.8
611	S	33.3	Very low	34.4	Very low	100 Å²	100	132.4 Å²	132.4	70%	0.699	73%	0.734	S	S	*	*				60.1	112.8	119	-50.8	0	0	0	0	121.1
612	K	35.5	Very low	34.3	Very low	218 Å²	218	134.5 Å²	134.5	95%	0.948	75%	0.746	S	S	*	*				-171.3	169.8	116.7	-109.6	169.7	-175.3	177.7	0	117.4
613	E	32.7	Very low	34.5	Very low	176 Å²	176	135.6 Å²	135.6	82%	0.822	74%	0.743	S	S	*	*			trans	-92.7	137.9	-178.3	175.2	-171.5	132.1	0	0	112.1
614	S	30.9	Very low	34.6	Very low	97 Å²	97	132.4 Å²	132.4	68%	0.678	73%	0.731	S	S	*	*			trans	53.2	138.4	151.9	-55.8	0	0	0	0	123.6
615	Q	31.8	Very low	34.3	Very low	179 Å²	179	132.5 Å²	132.5	84%	0.836	73%	0.732	S	S	*	*			trans	95.8	136.4	156.9	-52.3	-165.4	10.4	0	0	120.4
616	T	29	Very low	34.5	Very low	125 Å²	125	128.3 Å²	128.3	77%	0.767	73%	0.728	S	S	*	*			trans	73.5	127.5	163.6	50.8	0	0	0	0	122
617	T	31.3	Very low	34.6	Very low	125 Å²	125	128.4 Å²	128.4	77%	0.767	73%	0.725	S	S	*	*			trans	70.7	104.4	149.3	39.7	0	0	0	0	123
618	S	32.1	Very low	34.7	Very low	101 Å²	101	129.9 Å²	129.9	71%	0.706	73%	0.729	S	S	*	*				75.3	126.8	126	63.1	0	0	0	0	124.6
619	L	33.6	Very low	34.5	Very low	158 Å²	158	131.3 Å²	131.3	83%	0.827	73%	0.726	S	S	*	*			trans	89.4	98	137.2	-74.7	165	0	0	0	123.2
620	S	35.2	Very low	34.5	Very low	86 Å²	86	134 Å²	134	60%	0.601	74%	0.735	S	S	*	*				77	109.2	117.9	64.9	0	0	0	0	125.4
621	Y	37.8	Very low	34.3	Very low	150 Å²	150	134.2 Å²	134.2	59%	0.588	74%	0.736	S	S	*	*				80.9	157.6	119.1	-68	-44.8	0	0	0	124.2	D291	D291-Y621 HydrophobicContact CB-CE2 4.04Å; D291-Y621 VanDerWaalsContact CB-OH 3.25Å; D291-Y621 WeakPolarHBondContact CB-OH 3.37Å
622	P	43.4	Very low	34.4	Very low	103 Å²	103	134.5 Å²	134.5	67%	0.669	73%	0.733	S	S	*	*			trans	-135.8	-131.8	-145.7	43.2	-20.8	0	0	0	115.5
623	I	37.6	Very low	34.3	Very low	134 Å²	134	134 Å²	134	69%	0.687	73%	0.727	S	S	*	*			trans	88.9	145	171.9	-54.9	157.3	0	0	0	115.8
624	G	39.2	Very low	34.3	Very low	49 Å²	49	134.4 Å²	134.4	51%	0.505	73%	0.726	S	S	.	*			cis	136.3	124.3	-13.4	0	0	0	0	0	116.9
625	S	35.8	Very low	34.7	Very low	126 Å²	126	134.8 Å²	134.8	88%	0.881	73%	0.726	S	S	*	*			trans	65.9	169.3	169.2	79.5	0	0	0	0	117.1
626	A	36.1	Very low	34.8	Very low	87 Å²	87	131.8 Å²	131.8	72%	0.719	72%	0.722	S	S	*	*			cis	-149.7	-175.5	7.5	0	0	0	0	0	114.2
627	E	34.1	Very low	34.8	Very low	154 Å²	154	136.9 Å²	136.9	72%	0.72	73%	0.727	S	S	*	*			trans	-57.5	170.9	-175.5	-48.7	160.8	112.4	0	0	117.4
628	M	34.2	Very low	34.9	Very low	166 Å²	166	136.4 Å²	136.4	82%	0.818	73%	0.729	S	S	*	*				-174.8	125.6	105.9	-92.2	-170.9	167.9	0	0	115.6
629	F	32.1	Very low	35.1	Very low	144 Å²	144	140.7 Å²	140.7	63%	0.632	73%	0.73	S	S	*	*			trans	15.7	142.3	153.9	-57.2	-101.2	0	0	0	123.1
630	H	32.8	Very low	35.1	Very low	183 Å²	183	139.9 Å²	139.9	85%	0.847	72%	0.721	S	S	*	*				-146.7	101.9	114	-122.4	-74.2	0	0	0	112.4
631	H	32.5	Very low	35	Very low	158 Å²	158	140.9 Å²	140.9	73%	0.731	73%	0.728	S	S	*	*			trans	-80.6	134.5	161.7	-107.7	-83.8	0	0	0	108.6
632	V	34.5	Very low	35	Very low	106 Å²	106	144.1 Å²	144.1	64%	0.642	75%	0.746	S	S	*	*			trans	-110.8	120.9	166.6	179.5	0	0	0	0	108	F634	V632-F634 HydrophobicContact CG1-CD2 3.74Å; V632-F634 HydrophobicContact CG1-CE2 3.54Å; V632-F634 HydrophobicContact CG1-CZ 4.44Å
633	Y	32.6	Very low	34.6	Very low	207 Å²	207	144.9 Å²	144.9	81%	0.812	75%	0.754	S	S	*	*			trans	-120.8	110	-174.5	-152.9	-81	0	0	0	108.1	P635	Y633-P635 WeakPolarHBondContact O-CD 3.43Å
634	F	33.4	Very low	34.6	Very low	185 Å²	185	141.7 Å²	141.7	81%	0.811	75%	0.753	S	S	*	*			trans	-103.2	113.9	178.9	-87.9	-69.7	0	0	0	111.3	V632	V632-F634 HydrophobicContact CG1-CD2 3.74Å; V632-F634 HydrophobicContact CG1-CE2 3.54Å; V632-F634 HydrophobicContact CG1-CZ 4.44Å
635	P	39.4	Very low	34.4	Very low	105 Å²	105	148.4 Å²	148.4	68%	0.682	77%	0.772	S	S	*	*			trans	-79	170.3	172.5	33.7	-34.7	0	0	0	112.3	Y633	Y633-P635 WeakPolarHBondContact O-CD 3.43Å
636	P	34.4	Very low	34.3	Very low	116 Å²	116	150.2 Å²	150.2	75%	0.753	76%	0.764	S	S	*	*			trans	-114.1	173.3	-152.3	42.3	-36.8	0	0	0	117.4
637	R	29.1	Very low	34.3	Very low	232 Å²	232	152.1 Å²	152.1	88%	0.875	76%	0.761	S	S	*	*			trans	89.7	143.4	154.6	-75.7	-174.9	169.8	-176.3	-2.6	121
638	S	32.6	Very low	34.3	Very low	114 Å²	114	154.8 Å²	154.8	80%	0.797	77%	0.765	S	S	*	*			trans	76.5	150.8	164.3	81.8	0	0	0	0	115.3
639	R	36.2	Very low	34.2	Very low	192 Å²	192	150.8 Å²	150.8	73%	0.725	75%	0.753	S	S	*	*			cis	-161.8	150	20.2	-153.8	174.1	165.3	162.3	-4.8	112.3
640	E	34.1	Very low	34.3	Very low	140 Å²	140	151.2 Å²	151.2	65%	0.654	76%	0.757	S	S	*	*			trans	47.5	161.6	153.5	-75	148.8	-165.3	0	0	121.2
641	S	33.2	Very low	34.3	Very low	107 Å²	107	148.4 Å²	148.4	75%	0.748	75%	0.753	S	S	*	*			cis	172.6	125.5	-35	-91.9	0	0	0	0	107.5
642	K	38	Very low	34.4	Very low	218 Å²	218	144.4 Å²	144.4	95%	0.948	74%	0.743	S	S	*	*			trans	-164.3	162.8	158.2	-117.1	161.1	-172.8	173.5	0	113.4
643	S	35.1	Very low	34.5	Very low	120 Å²	120	147.2 Å²	147.2	84%	0.839	75%	0.749	S	S	*	*			trans	-139.1	157.4	-151.3	53.2	0	0	0	0	114.2
644	G	36.3	Very low	34.4	Very low	66 Å²	66	142.9 Å²	142.9	68%	0.68	74%	0.744	S	S	*	*			trans	157	114.3	158.3	0	0	0	0	0	115.4
645	E	37	Very low	34.4	Very low	191 Å²	191	139.8 Å²	139.8	89%	0.893	74%	0.74	S	S	*	*				56.2	144.4	128.5	-72.8	178.5	178.8	0	0	121.5
646	F	33.1	Very low	34.1	Very low	164 Å²	164	143.1 Å²	143.1	72%	0.719	75%	0.747	S	S	*	*			cis	-171	136	-8.2	-173.9	-116.3	0	0	0	110.1
647	L	35.6	Very low	33.8	Very low	126 Å²	126	146.7 Å²	146.7	66%	0.66	75%	0.753	S	S	*	*			trans	62.6	159.9	164.2	-103.5	62.3	0	0	0	118
648	R	33.2	Very low	33.9	Very low	210 Å²	210	139.6 Å²	139.6	79%	0.792	75%	0.752	S	S	*	*			cis	-161.4	148.6	-10.7	-159.4	-179	-173.3	169.8	2.6	109.5
649	S	33.1	Very low	33.6	Very low	83 Å²	83	139.6 Å²	139.6	58%	0.58	75%	0.751	S	S	*	*			trans	61.7	153.5	155.3	-79.9	0	0	0	0	118.3
650	E	33.5	Very low	33.1	Very low	152 Å²	152	135.4 Å²	135.4	71%	0.71	75%	0.747	S	S	*	*			cis	-156.8	152.7	-5.2	-127.6	155.8	99.4	0	0	109.4
651	T	34.1	Very low	32.7	Very low	124 Å²	124	135.7 Å²	135.7	76%	0.761	75%	0.751	S	S	*	*			trans	61.2	141.3	162.2	56.8	0	0	0	0	118.2
652	S	34.3	Very low	32.5	Very low	74 Å²	74	136.9 Å²	136.9	52%	0.517	75%	0.745	S	S	.	*			cis	-168.1	141.8	0.7	-117.5	0	0	0	0	112.9
653	H	35.8	Very low	32	Very low	166 Å²	166	131.4 Å²	131.4	77%	0.769	73%	0.726	S	S	*	*			trans	61.6	139.8	152.5	-40.7	-44.5	0	0	0	119.4
654	T	31.9	Very low	31.7	Very low	116 Å²	116	131.5 Å²	131.5	71%	0.712	72%	0.717	S	S	*	*			cis	-169.1	138.8	-18	23.5	0	0	0	0	109.5
655	V	32	Very low	31.3	Very low	119 Å²	119	133.7 Å²	133.7	72%	0.721	72%	0.717	S	S	*	*				51.9	130.9	128	-179.8	0	0	0	0	119.5
656	E	32.9	Very low	31	Very low	176 Å²	176	129 Å²	129	82%	0.822	71%	0.705	S	S	*	*			cis	-161.5	169.9	-9.7	-120.3	174.5	170.5	0	0	111.2
657	Q	29.4	Very low	30.9	Very low	190 Å²	190	126.9 Å²	126.9	89%	0.888	71%	0.706	S	S	*	*			trans	-100.4	139.2	158.8	-66.7	175.6	-20.1	0	0	109.1
658	G	30.9	Very low	31	Very low	83 Å²	83	126.9 Å²	126.9	86%	0.856	71%	0.707	S	S	*	*			trans	-159.7	116.4	175.8	0	0	0	0	0	111.8
659	C	25	Very low	30.9	Very low	115 Å²	115	123.2 Å²	123.2	78%	0.777	70%	0.698	S	S	*	*			trans	-94.6	145.3	-173.4	-151.6	0	0	0	0	112.2
660	T	25.7	Very low	31.1	Very low	104 Å²	104	122.5 Å²	122.5	64%	0.638	70%	0.698	S	S	*	*			trans	26	131.6	155	56.9	0	0	0	0	120.7
661	I	26.9	Very low	31.1	Very low	145 Å²	145	119.4 Å²	119.4	74%	0.744	69%	0.693	S	S	*	*				-172.1	132	101.4	-94.4	159.8	0	0	0	111.8
662	Q	27.8	Very low	31.1	Very low	132 Å²	132	121.3 Å²	121.3	62%	0.617	70%	0.695	S	S	*	*			trans	11.7	166.6	151.2	-50.5	-177.9	65	0	0	123.9
663	L	28.4	Very low	31.2	Very low	104 Å²	104	123.1 Å²	123.1	55%	0.545	69%	0.693	S	S	.	*			trans	89.1	148.8	158.3	-51.9	-178.9	0	0	0	117.9	L334	L334-L663 HydrophobicContact CD2-CD1 4.38Å
664	N	28.6	Very low	31.3	Very low	122 Å²	122	121.7 Å²	121.7	65%	0.652	70%	0.697	S	S	*	*			cis	-163.6	148.2	-45.6	-121.9	13.2	0	0	0	111.7
665	T	27.8	Very low	31.4	Very low	112 Å²	112	121.1 Å²	121.1	69%	0.687	69%	0.689	S	S	*	*			trans	54.7	133.8	148	56.1	0	0	0	0	123.1
666	S	31.4	Very low	31.5	Very low	91 Å²	91	121.5 Å²	121.5	64%	0.636	69%	0.692	S	S	*	*			trans	82.1	112.6	135.1	74.4	0	0	0	0	119
667	T	31.5	Very low	31.5	Very low	121 Å²	121	119.2 Å²	119.2	74%	0.742	68%	0.681	S	S	*	*				102.5	154.1	90.9	53.3	0	0	0	0	111.5
668	N	36.5	Very low	31.7	Very low	126 Å²	126	114.8 Å²	114.8	67%	0.674	67%	0.667	S	S	*	*			cis	-161.1	173.4	12.9	-138.2	2.8	0	0	0	114.3
669	E	31.9	Very low	31.8	Very low	132 Å²	132	115.4 Å²	115.4	62%	0.617	66%	0.658	S	S	*	*			trans	65.2	150.3	152.1	-60.6	-78.9	107.8	0	0	120	P106	P106-E669 WeakPolarHBondContact CG-OE2 3.19Å
670	A	36.6	Very low	32.5	Very low	69 Å²	69	118.9 Å²	118.9	57%	0.57	66%	0.66	S	S	*	*			cis	-170.4	162.6	-21	0	0	0	0	0	113.6
671	S	34.5	Very low	32.9	Very low	86 Å²	86	119.7 Å²	119.7	60%	0.601	67%	0.665	S	S	*	*			trans	76.8	153.5	152.4	-134.6	0	0	0	0	118.3
672	M	33.8	Very low	33.1	Very low	164 Å²	164	119.9 Å²	119.9	81%	0.808	67%	0.667	S	S	*	*			cis	-150.3	129.9	7	-5.1	-141.5	168.1	0	0	114.4
673	K	37	Very low	33.3	Very low	112 Å²	112	121.9 Å²	121.9	49%	0.487	67%	0.674	S	S	.	*			trans	43.8	136.2	138.1	-65.7	168.8	175.4	172.5	0	120.9	S109 T110	S109-K673 WeakPolarHBondContact O-CD 3.47Å; S109-K673 WeakPolarHBondContact O-CE 3.33Å; S109-K673 PolarHBondContact O-NZ 3.12Å; T110-K673 PolarHBondContact OG1-NZ 3.03Å; T110-K673 VanDerWaalsContact OG1-NZ 3.13Å
674	T	36.3	Very low	33.6	Very low	137 Å²	137	126.4 Å²	126.4	84%	0.84	69%	0.689	S	S	*	*				-164.9	178.2	53.7	43.4	0	0	0	0	113.6
675	N	34.9	Very low	33.6	Very low	103 Å²	103	129.3 Å²	129.3	55%	0.551	70%	0.699	S	S	*	*			cis	172.8	116.4	-35.9	-179.5	97.7	0	0	0	112.7
676	V	34.3	Very low	33.9	Very low	128 Å²	128	130 Å²	130	78%	0.776	70%	0.702	S	S	*	*			trans	67.4	171.9	164	168.1	0	0	0	0	116.9
677	E	32.8	Very low	33.7	Very low	128 Å²	128	132.4 Å²	132.4	60%	0.598	71%	0.709	S	S	*	*				-164.8	-161.9	-62.6	-150.7	-154	91.7	0	0	106.8	F7	F7-E677 HydrophobicContact CE1-CG 4.02Å; F7-E677 HydrophobicContact CZ-CG 4.15Å
678	T	33.6	Very low	33.8	Very low	97 Å²	97	132.6 Å²	132.6	60%	0.595	71%	0.713	S	S	*	*			cis	-157.2	158.2	12.8	-68.9	0	0	0	0	110.3
679	S	31.9	Very low	33.5	Very low	96 Å²	96	134 Å²	134	67%	0.671	72%	0.721	S	S	*	*			trans	-102.7	167.3	-179.4	-42.5	0	0	0	0	116.4
680	K	40.7	Very low	33.4	Very low	187 Å²	187	131.4 Å²	131.4	81%	0.813	72%	0.717	S	S	*	*			trans	159.7	108.9	145.1	-86.2	147.4	-163.1	165.6	0	112.6
681	T	33	Very low	33.1	Very low	122 Å²	122	136.7 Å²	136.7	75%	0.748	73%	0.728	S	S	*	*				72.4	119.7	74.8	61	0	0	0	0	118.2
682	L	32.7	Very low	33.2	Very low	149 Å²	149	138.7 Å²	138.7	78%	0.78	74%	0.736	S	S	*	*				175.5	121	128.6	-95.8	165.2	0	0	0	116.2
683	K	30.8	Very low	33.2	Very low	173 Å²	173	135.3 Å²	135.3	75%	0.752	73%	0.728	S	S	*	*			trans	31.4	136.9	146.1	-63.3	173.7	-173.1	176.4	0	123.9
684	F	34.6	Very low	32.9	Very low	200 Å²	200	136.3 Å²	136.3	88%	0.877	74%	0.735	S	S	*	*				175.4	110.8	123.8	-80.1	-58.1	0	0	0	107.5
685	Q	28.6	Very low	32.9	Very low	182 Å²	182	136.2 Å²	136.2	85%	0.85	74%	0.736	S	S	*	*				65.2	145.9	78.4	-164.5	167.6	2.2	0	0	116.3
686	V	34.4	Very low	32.8	Very low	126 Å²	126	141.2 Å²	141.2	76%	0.764	75%	0.748	S	S	*	*			trans	90.3	105.7	-169.8	-176.4	0	0	0	0	110.8
687	N	28.1	Very low	32.6	Very low	143 Å²	143	144.3 Å²	144.3	77%	0.765	75%	0.751	S	S	*	*			cis	66.7	90.4	40.8	-169.7	26.7	0	0	0	115.8
688	C	33.1	Very low	32.6	Very low	124 Å²	124	145.3 Å²	145.3	84%	0.838	76%	0.759	S	S	*	*			trans	-149	65.4	161.4	57.7	0	0	0	0	112
689	N	30	Very low	32.4	Very low	155 Å²	155	146.9 Å²	146.9	83%	0.829	76%	0.764	S	S	*	*			trans	-66.6	132.5	149.3	-92.1	-13.3	0	0	0	108.6
690	S	30.3	Very low	32.4	Very low	79 Å²	79	150.4 Å²	150.4	55%	0.552	76%	0.764	S	S	*	*			trans	151.7	147.4	136.8	-169	0	0	0	0	112.5
691	F	30.2	Very low	32.2	Very low	180 Å²	180	150.7 Å²	150.7	79%	0.789	76%	0.76	S	S	*	*			trans	65.9	144	175.4	-39.4	-70.5	0	0	0	114
692	V	36	Very low	32.3	Very low	128 Å²	128	150 Å²	150	78%	0.776	75%	0.752	S	S	*	*			cis	-132	123.5	8.3	169.8	0	0	0	0	106.4
693	S	34.4	Very low	32.5	Very low	92 Å²	92	147.3 Å²	147.3	64%	0.643	75%	0.745	S	S	*	*				71.4	65.6	59.3	-52.3	0	0	0	0	115.4
694	Q	29.7	Very low	32.8	Very low	134 Å²	134	145.6 Å²	145.6	63%	0.626	75%	0.749	S	S	*	*			trans	70.9	147.9	160.3	-49.6	176.5	16.1	0	0	118.1	R696	Q694-R696 VanDerWaalsContact OE1-CG 3.25Å; Q694-R696 VanDerWaalsContact OE1-NE 3.07Å
695	P	36.3	Very low	33	Very low	134 Å²	134	142 Å²	142	87%	0.87	75%	0.749	S	S	*	*			trans	-116.4	95.9	135.5	33.4	-27.2	0	0	0	110
696	R	33.2	Very low	33.3	Very low	208 Å²	208	136.8 Å²	136.8	79%	0.785	74%	0.744	S	S	*	*			trans	-74.8	158.8	160.4	-80.3	-178	-176.8	-168.2	2	109.5	Q694	Q694-R696 VanDerWaalsContact OE1-CG 3.25Å; Q694-R696 VanDerWaalsContact OE1-NE 3.07Å
697	K	31.1	Very low	33.9	Very low	194 Å²	194	137.6 Å²	137.6	84%	0.843	74%	0.742	S	S	*	*			trans	-67.9	177	-172.1	-57.2	-179	175.1	-172.9	0	113.5
698	L	31.5	Very low	34.4	Very low	148 Å²	148	137 Å²	137	78%	0.775	75%	0.746	S	S	*	*			trans	88	133.6	174	-75.7	66.3	0	0	0	113.2
699	D	30.6	Very low	34.7	Very low	130 Å²	130	135.8 Å²	135.8	70%	0.695	73%	0.731	S	S	*	*			cis	-154.9	179.1	-4.1	-135.5	-32.5	0	0	0	113.5
700	Y	31.1	Very low	35.5	Very low	171 Å²	171	140 Å²	140	67%	0.671	74%	0.735	S	S	*	*			trans	69	120.1	169.1	-112.3	-125.3	0	0	0	115.2	E781	Y700-E781 PolarHBondContact OH-OE1 2.85Å
701	R	36.1	Very low	36.5	Very low	192 Å²	192	142.8 Å²	142.8	73%	0.725	75%	0.749	S	S	*	*			cis	56.7	136.4	41.9	-64.1	-72.8	170.9	-176.5	-4.5	112
702	D	35.1	Very low	36.9	Very low	109 Å²	109	137.5 Å²	137.5	58%	0.583	74%	0.744	S	S	*	*			cis	-157.8	-174	-19.8	-148.9	-25.8	0	0	0	109.1
703	S	37.9	Very low	37.3	Very low	91 Å²	91	138.9 Å²	138.9	64%	0.636	75%	0.747	S	S	*	*			trans	77.4	100.8	142.4	-70.9	0	0	0	0	122.1
704	V	37.1	Very low	37.7	Very low	137 Å²	137	139.2 Å²	139.2	83%	0.83	75%	0.746	S	S	*	*				82.8	140.5	107.5	162.8	0	0	0	0	121.9
705	S	38.6	Very low	38	Very low	126 Å²	126	136.9 Å²	136.9	88%	0.881	74%	0.743	S	S	*	*			trans	84.8	136.4	162.3	-154.8	0	0	0	0	118.3
706	G	35.5	Very low	38.2	Very low	72 Å²	72	133.9 Å²	133.9	74%	0.742	73%	0.725	S	S	*	*			trans	141.4	37.9	177.1	0	0	0	0	0	117.6
707	I	45.3	Very low	38.6	Very low	143 Å²	143	129.2 Å²	129.2	73%	0.733	72%	0.72	S	S	*	*			trans	-80.1	145.8	171.6	-18.5	178.9	0	0	0	109.7	L709	I707-L709 HydrophobicContact CG2-CG 4.03Å
708	P	39	Very low	39	Very low	129 Å²	129	123.5 Å²	123.5	84%	0.838	70%	0.702	S	S	*	*				-139	149.9	92.7	35.6	-21.8	0	0	0	115.2
709	L	40.6	Very low	39.3	Very low	100 Å²	100	122.3 Å²	122.3	52%	0.524	71%	0.705	S	S	.	*			trans	-88.2	142	176.1	-62.8	158.9	0	0	0	111.4	D366 I707	D366-L709 WeakPolarHBondContact OD2-CD2 3.46Å; I707-L709 HydrophobicContact CG2-CG 4.03Å
710	R	46.8	Very low	39.5	Very low	243 Å²	243	119 Å²	119	92%	0.917	70%	0.703	S	S	*	*				-156.7	98.8	129.2	-62.9	-157.9	-173.5	-93	-7.4	107.4
711	V	50.5	Low	40.1	Very low	138 Å²	138	121.8 Å²	121.8	84%	0.836	71%	0.712	S	S	*	*				65.5	114.7	87.5	174.2	0	0	0	0	112
712	G	38.2	Very low	40.8	Very low	68 Å²	68	119.2 Å²	119.2	70%	0.701	71%	0.711	S	S	*	*			trans	-171.4	-26.9	-177.9	0	0	0	0	0	123.5
713	L	44	Very low	41.8	Very low	158 Å²	158	119.7 Å²	119.7	83%	0.827	71%	0.714	S	S	*	*	S	Bend	trans	-172.3	166.7	172	-122.5	56.4	0	0	0	110.7
714	P	43.6	Very low	42.8	Very low	98 Å²	98	117.5 Å²	117.5	64%	0.636	70%	0.696	S	S	*	*			trans	-87.9	159.2	-155.4	34.8	-37.3	0	0	0	116.8	S716	P714-S716 PolarHBondContact O-N 3.14Å
715	P	36.3	Very low	44.7	Very low	86 Å²	86	119.2 Å²	119.2	56%	0.558	69%	0.688	S	S	*	*			trans	-76.4	107.9	-177.4	27.3	-34.1	0	0	0	115.4
716	S	40.2	Very low	47.1	Very low	70 Å²	70	116.7 Å²	116.7	49%	0.49	66%	0.661	S	S	.	*			trans	-120	110.2	166.6	56.2	0	0	0	0	113.9	P714	P714-S716 PolarHBondContact O-N 3.14Å
717	T	41.2	Very low	49.9	Very low	110 Å²	110	113.2 Å²	113.2	68%	0.675	63%	0.625	S	S	*	*			trans	70.1	160.5	152.9	59.1	0	0	0	0	120.9
718	T	40	Very low	52.1	Low	75 Å²	75	110.9 Å²	110.9	46%	0.46	61%	0.607	S	S	.	*			trans	72.9	119.8	165.2	-50	0	0	0	0	116	Q361 Q362	Q361-T718 WeakPolarHBondContact O-CB 3.34Å; Q361-T718 PolarHBondContact O-OG1 2.86Å; Q362-T718 HydrophobicContact CG-CG2 4.04Å; Q362-T718 PolarHBondContact NE2-O 3.26Å
719	S	37.6	Very low	54.6	Low	122 Å²	122	112.8 Å²	112.8	85%	0.853	60%	0.602	S	S	*	*			cis	-151.5	162.8	5.9	-170.6	0	0	0	0	111.4
720	G	35.6	Very low	57	Low	62 Å²	62	111.1 Å²	111.1	64%	0.639	60%	0.596	S	S	*	*	S	Bend	trans	129.4	83.2	166.7	0	0	0	0	0	115.5
721	R	44	Very low	59.2	Low	228 Å²	228	102 Å²	102	86%	0.86	56%	0.562	S	S	*	*			trans	62	98.4	178	-51.3	-179.3	-168.3	173.4	3.8	114.5	D723	R721-D723 PolarHBondContact O-N 2.88Å
722	I	49.1	Very low	61.1	Low	138 Å²	138	96.4 Å²	96.4	71%	0.708	53%	0.533	S	S	*	.			trans	-78.1	74.3	164.6	-45.5	177.8	0	0	0	108.3	V724 P755	I722-V724 PolarHBondContact O-N 2.97Å; I722-P755 HydrophobicContact CB-CB 4.42Å; I722-P755 HydrophobicContact CB-CG 4.11Å; I722-P755 HydrophobicContact CG2-CB 3.98Å; I722-P755 HydrophobicContact CG2-CG 3.78Å
723	D	56.1	Low	63.7	Low	120 Å²	120	97.9 Å²	97.9	64%	0.642	52%	0.523	S	S	*	.			trans	-55.7	132.7	174.7	-103.7	-43.1	0	0	0	110.2	R721 R725	R721-D723 PolarHBondContact O-N 2.88Å; D723-R725 PolarHBondContact O-N 3.48Å
724	V	60.4	Low	66	Low	44 Å²	44	96.7 Å²	96.7	27%	0.267	51%	0.513	S	S	.	.			trans	-55.8	110.9	179.8	175.1	0	0	0	0	108.6	I722 K726 N754	I722-V724 PolarHBondContact O-N 2.97Å; V724-K726 HydrophobicContact CG1-CG 3.85Å; V724-K726 PolarHBondContact O-N 3.28Å; V724-N754 WeakPolarHBondContact CG1-OD1 3.39Å; V724-N754 HydrophobicContact CG2-CB 4.33Å
725	R	76.9	Confident	68.3	Low	173 Å²	173	95 Å²	95	65%	0.653	50%	0.499	S	S	*	.			trans	-70.9	65.2	179.6	-68.9	-171.3	179.8	-169.3	0.4	111.1	D723 V730 F752	D723-R725 PolarHBondContact O-N 3.48Å; R725-V730 HydrophobicContact CB-CG2 3.82Å; R725-V730 HydrophobicContact CG-CG2 4.42Å; R725-F752 HydrophobicContact CB-CB 4.19Å; R725-F752 HydrophobicContact CB-CG 4.2Å; R725-F752 WeakPolarHBondContact O-CB 3.26Å; R725-F752 WeakPolarHBondContact O-CD2 3.46Å; R725-F752 VanDerWaalsContact O-CG 3.22Å; R725-F752 WeakPolarHBondContact O-CG 3.28Å
726	K	89.1	Confident	71	Confident	73 Å²	73	97.9 Å²	97.9	32%	0.317	50%	0.499	S	S	.	.			trans	-55.7	146.4	170.9	-60.5	-171.8	-178.3	-174.5	0	108.3	V724 R728 K729 V730	V724-K726 HydrophobicContact CG1-CG 3.85Å; V724-K726 PolarHBondContact O-N 3.28Å; K726-R728 PolarHBondContact O-N 3.46Å; K726-K729 WeakPolarHBondContact O-CB 3.38Å; K726-K729 PolarHBondContact O-N 3.38Å; K726-V730 PolarHBondContact O-N 2.87Å
727	C	94	Very high	73.6	Confident	0 Å²	0	99.8 Å²	99.8	0%	0	50%	0.504	C	S	.	.	H	α-helix	trans	-49.8	-34.5	-179.5	-68.7	0	0	0	0	113.2	K729 V730 Y731 W739 C740 C743	C727-K729 PolarHBondContact O-N 3.25Å; C727-V730 PolarHBondContact O-N 2.98Å; C727-V730 VanDerWaalsContact O-N 3.12Å; C727-Y731 HydrophobicContact CB-CD2 3.89Å; C727-Y731 HydrophobicContact CB-CE2 4.25Å; C727-Y731 PolarHBondContact O-N 3.43Å; C727-W739 HydrophobicContact CB-CB 3.83Å; C727-W739 HydrophobicContact CB-CG 3.78Å; C727-C740 PolarHBondContact SG-N 2.91Å; C727-C740 VanDerWaalsContact SG-N 3.41Å; C727-C740 VanDerWaalsContact SG-SG 3.61Å; C727-C743 HydrophobicContact CB-CB 3.67Å; C727-C743 PolarHBondContact N-SG 2.76Å
728	R	91.2	Very high	76.1	Confident	93 Å²	93	98.1 Å²	98.1	35%	0.351	49%	0.488	S	S	.	.	H	α-helix	trans	-57.5	-26	175.3	-43.8	-164.9	169.9	-153.8	-9.7	115	K726 G732 W739 C743 K744	K726-R728 PolarHBondContact O-N 3.46Å; R728-G732 CarbonylContact O-C 3.57Å; R728-G732 WeakPolarHBondContact O-CA 3.15Å; R728-W739 HydrophobicContact CB-CH2 4.07Å; R728-W739 HydrophobicContact CB-CZ2 3.69Å; R728-W739 HydrophobicContact CG-CD2 4.02Å; R728-W739 HydrophobicContact CG-CE3 3.96Å; R728-W739 HydrophobicContact CG-CH2 3.52Å; R728-W739 HydrophobicContact CG-CZ2 3.55Å; R728-W739 HydrophobicContact CG-CZ3 3.75Å; R728-W739 VanDerWaalsContact NE-CZ3 3.31Å; R728-C743 VanDerWaalsContact CZ-O 3.3Å; R728-C743 PolarHBondContact NE-O 3.26Å; R728-C743 PolarHBondContact NH2-O 2.81Å; R728-K744 PolarHBondContact NH2-O 2.91Å
729	K	91.2	Very high	78.7	Confident	169 Å²	169	95.1 Å²	95.1	74%	0.735	47%	0.469	S	S	*	.	H	α-helix	trans	-97.7	-11.9	-179.2	-169.6	58.9	173.9	179.4	0	112.5	K726 C727	K726-K729 WeakPolarHBondContact O-CB 3.38Å; K726-K729 PolarHBondContact O-N 3.38Å; C727-K729 PolarHBondContact O-N 3.25Å
730	V	90.7	Very high	81.4	Confident	65 Å²	65	90.1 Å²	90.1	39%	0.394	43%	0.433	S	S	.	.	H	α-helix	trans	-106.6	-38.2	-179.2	-178.1	0	0	0	0	112.2	R725 K726 C727 F752	R725-V730 HydrophobicContact CB-CG2 3.82Å; R725-V730 HydrophobicContact CG-CG2 4.42Å; K726-V730 PolarHBondContact O-N 2.87Å; C727-V730 PolarHBondContact O-N 2.98Å; C727-V730 VanDerWaalsContact O-N 3.12Å; V730-F752 HydrophobicContact CB-CE2 3.92Å; V730-F752 HydrophobicContact CB-CZ 4.15Å; V730-F752 HydrophobicContact CG1-CE2 4.05Å; V730-F752 HydrophobicContact CG1-CZ 3.76Å; V730-F752 HydrophobicContact CG2-CD2 4.15Å; V730-F752 HydrophobicContact CG2-CE2 3.74Å; V730-F752 HydrophobicContact CG2-CZ 4.01Å
731	Y	93	Very high	84.2	Confident	52 Å²	52	92.3 Å²	92.3	20%	0.204	43%	0.43	C	S	.	.	S	Bend	trans	-110.2	15.9	-179.4	-51.6	-60.6	0	0	0	112.6	C727 N735 Q738 R751 F752	C727-Y731 HydrophobicContact CB-CD2 3.89Å; C727-Y731 HydrophobicContact CB-CE2 4.25Å; C727-Y731 PolarHBondContact O-N 3.43Å; Y731-N735 WeakPolarHBondContact O-CB 3.46Å; Y731-N735 PolarHBondContact O-N 2.86Å; Y731-Q738 HydrophobicContact CD1-CB 4.18Å; Y731-Q738 HydrophobicContact CD2-CB 3.92Å; Y731-Q738 HydrophobicContact CE1-CB 4.43Å; Y731-Q738 HydrophobicContact CE2-CB 4.17Å; Y731-Q738 WeakPolarHBondContact CE2-O 3.41Å; Y731-Q738 HydrophobicContact CG-CB 3.92Å; Y731-R751 PolarHBondContact OH-NH1 2.98Å; Y731-F752 HydrophobicContact CE2-CE2 4.19Å
732	G	91.5	Very high	86.4	Confident	21 Å²	21	83.8 Å²	83.8	22%	0.216	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	-157.4	-176.1	0	0	0	0	0	114.8	R728 E734 W739	R728-G732 CarbonylContact O-C 3.57Å; R728-G732 WeakPolarHBondContact O-CA 3.15Å; G732-E734 WeakPolarHBondContact CA-OE1 3.48Å; G732-E734 WeakPolarHBondContact CA-OE2 3.28Å; G732-W739 VanDerWaalsContact O-CE2 3.3Å; G732-W739 WeakPolarHBondContact O-CZ2 3.22Å; G732-W739 PolarHBondContact O-NE1 2.95Å
733	I	91.8	Very high	88.6	Confident	99 Å²	99	77.3 Å²	77.3	51%	0.508	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-11.7	177.5	-168.7	53.9	0	0	0	112.8	R736 W739	I733-R736 WeakPolarHBondContact O-CG 3.08Å; I733-R736 PolarHBondContact O-NE 3.36Å; I733-W739 HydrophobicContact CD1-CH2 3.62Å; I733-W739 HydrophobicContact CD1-CZ2 3.83Å
734	E	93.2	Very high	90.3	Very high	132 Å²	132	75.4 Å²	75.4	62%	0.617	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-56.4	178.5	58.6	-74.2	178.9	0	0	111.5	G732 R736	G732-E734 WeakPolarHBondContact CA-OE1 3.48Å; G732-E734 WeakPolarHBondContact CA-OE2 3.28Å; E734-R736 PolarHBondContact O-N 3.17Å
735	N	91.9	Very high	91.8	Very high	63 Å²	63	82.6 Å²	82.6	34%	0.337	38%	0.376	S	S	.	.			trans	-85.5	56.6	-176.8	-61.2	-1.2	0	0	0	111.4	Y731 D737 Q738	Y731-N735 WeakPolarHBondContact O-CB 3.46Å; Y731-N735 PolarHBondContact O-N 2.86Å; N735-D737 WeakPolarHBondContact CA-OD1 3.35Å; N735-D737 PolarHBondContact O-N 3.4Å; N735-Q738 HydrophobicContact CB-CB 4.29Å; N735-Q738 HydrophobicContact CB-CG 4.01Å; N735-Q738 PolarHBondContact O-N 2.86Å; N735-Q738 VanDerWaalsContact O-N 3.15Å
736	R	92.4	Very high	92.3	Very high	146 Å²	146	82 Å²	82	55%	0.551	38%	0.378	S	S	*	.			trans	-63.8	-27.3	179	-56.1	-172	-173.7	-178.8	2	112.5	I733 E734 Q738 W739 K744	I733-R736 WeakPolarHBondContact O-CG 3.08Å; I733-R736 PolarHBondContact O-NE 3.36Å; E734-R736 PolarHBondContact O-N 3.17Å; R736-Q738 VanDerWaalsContact C-N 3.32Å; R736-W739 HydrophobicContact CG-CZ2 4.34Å; R736-W739 WeakPolarHBondContact O-CB 3.1Å; R736-W739 PolarHBondContact O-N 3.4Å; R736-K744 WeakPolarHBondContact O-CE 2.99Å
737	D	95.1	Very high	92.3	Very high	111 Å²	111	84.2 Å²	84.2	59%	0.594	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-47.8	171.3	64.3	-55.2	0	0	0	110.8	N735 W739 K744	N735-D737 WeakPolarHBondContact CA-OD1 3.35Å; N735-D737 PolarHBondContact O-N 3.4Å; D737-W739 PolarHBondContact O-N 2.83Å; D737-K744 PolarHBondContact O-NZ 2.97Å
738	Q	92.7	Very high	92	Very high	74 Å²	74	85.8 Å²	85.8	35%	0.346	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.6	-178.7	-56.3	-172.9	0.1	0	0	113.3	Y731 N735 R736 C740 R751	Y731-Q738 HydrophobicContact CD1-CB 4.18Å; Y731-Q738 HydrophobicContact CD2-CB 3.92Å; Y731-Q738 HydrophobicContact CE1-CB 4.43Å; Y731-Q738 HydrophobicContact CE2-CB 4.17Å; Y731-Q738 WeakPolarHBondContact CE2-O 3.41Å; Y731-Q738 HydrophobicContact CG-CB 3.92Å; N735-Q738 HydrophobicContact CB-CB 4.29Å; N735-Q738 HydrophobicContact CB-CG 4.01Å; N735-Q738 PolarHBondContact O-N 2.86Å; N735-Q738 VanDerWaalsContact O-N 3.15Å; R736-Q738 VanDerWaalsContact C-N 3.32Å; Q738-C740 PolarHBondContact O-N 3.21Å; Q738-R751 VanDerWaalsContact O-CZ 3.23Å; Q738-R751 PolarHBondContact O-NH1 3.05Å
739	W	94.6	Very high	92.1	Very high	13 Å²	13	81.7 Å²	81.7	5%	0.049	39%	0.386	C	S	.	.	S	Bend	trans	-67.1	132.1	174.6	-63.2	9.9	0	0	0	111.4	C727 R728 G732 I733 R736 D737 C743 K744	C727-W739 HydrophobicContact CB-CB 3.83Å; C727-W739 HydrophobicContact CB-CG 3.78Å; R728-W739 HydrophobicContact CB-CH2 4.07Å; R728-W739 HydrophobicContact CB-CZ2 3.69Å; R728-W739 HydrophobicContact CG-CD2 4.02Å; R728-W739 HydrophobicContact CG-CE3 3.96Å; R728-W739 HydrophobicContact CG-CH2 3.52Å; R728-W739 HydrophobicContact CG-CZ2 3.55Å; R728-W739 HydrophobicContact CG-CZ3 3.75Å; R728-W739 VanDerWaalsContact NE-CZ3 3.31Å; G732-W739 VanDerWaalsContact O-CE2 3.3Å; G732-W739 WeakPolarHBondContact O-CZ2 3.22Å; G732-W739 PolarHBondContact O-NE1 2.95Å; I733-W739 HydrophobicContact CD1-CH2 3.62Å; I733-W739 HydrophobicContact CD1-CZ2 3.83Å; R736-W739 HydrophobicContact CG-CZ2 4.34Å; R736-W739 WeakPolarHBondContact O-CB 3.1Å; R736-W739 PolarHBondContact O-N 3.4Å; D737-W739 PolarHBondContact O-N 2.83Å; W739-C743 HydrophobicContact CB-CB 4.4Å; W739-K744 HydrophobicContact CB-CG 3.9Å; W739-K744 HydrophobicContact CE3-CG 4.2Å; W739-K744 WeakPolarHBondContact O-CE 3.19Å; W739-K744 PolarHBondContact O-NZ 3.2Å
740	C	94.8	Very high	92	Very high	17 Å²	17	83 Å²	83	12%	0.115	39%	0.387	C	S	.	.			trans	-61.6	150.1	167.3	73.9	0	0	0	0	110.9	C727 Q738 Q742 C743 K744 R751	C727-C740 PolarHBondContact SG-N 2.91Å; C727-C740 VanDerWaalsContact SG-N 3.41Å; C727-C740 VanDerWaalsContact SG-SG 3.61Å; Q738-C740 PolarHBondContact O-N 3.21Å; C740-Q742 PolarHBondContact O-N 2.85Å; C740-Q742 VanDerWaalsContact O-N 3.1Å; C740-C743 WeakPolarHBondContact O-CA 3.29Å; C740-C743 PolarHBondContact O-N 3.36Å; C740-K744 PolarHBondContact O-N 3.03Å; C740-R751 HydrophobicContact CB-CG 4.04Å
741	N	94.6	Very high	91.8	Very high	108 Å²	108	86.2 Å²	86.2	58%	0.578	39%	0.392	S	S	*	.	H	α-helix	trans	-56.2	-33.9	-173.5	-67.9	-4.7	0	0	0	113	C743 K744 W745	N741-C743 PolarHBondContact O-N 2.68Å; N741-K744 WeakPolarHBondContact O-CB 3.49Å; N741-K744 PolarHBondContact O-N 2.98Å; N741-W745 PolarHBondContact O-N 3.25Å
742	Q	91.5	Very high	91.4	Very high	49 Å²	49	86.3 Å²	86.3	23%	0.229	39%	0.393	C	S	.	.	H	α-helix	trans	-61.3	-45.1	174.7	-54.9	-159.1	151.9	0	0	111.9	C740 K744 W745 K746 K747 A748 R750	C740-Q742 PolarHBondContact O-N 2.85Å; C740-Q742 VanDerWaalsContact O-N 3.1Å; Q742-K744 VanDerWaalsContact C-N 3.34Å; Q742-K744 PolarHBondContact O-N 2.86Å; Q742-W745 CarbonylContact O-C 3.3Å; Q742-W745 VanDerWaalsContact O-C 3.3Å; Q742-W745 PolarHBondContact O-N 3.17Å; Q742-K746 CarbonylContact O-C 3.59Å; Q742-K746 PolarHBondContact O-N 3.02Å; Q742-K747 CarbonylContact C-O 3.59Å; Q742-K747 HydrophobicContact CB-CB 3.97Å; Q742-K747 WeakPolarHBondContact O-CA 3.43Å; Q742-K747 PolarHBondContact O-N 3.38Å; Q742-A748 WeakPolarHBondContact CB-O 3.05Å; Q742-A748 PolarHBondContact NE2-O 2.79Å; Q742-R750 HydrophobicContact CG-CB 4.3Å; Q742-R750 VanDerWaalsContact OE1-CZ 3.25Å
743	C	94.5	Very high	90.7	Very high	2 Å²	2	89.1 Å²	89.1	1%	0.014	41%	0.408	C	S	.	.	H	α-helix	trans	-69.8	-26	175.2	-75.8	0	0	0	0	114	C727 R728 W739 C740 N741 C749	C727-C743 HydrophobicContact CB-CB 3.67Å; C727-C743 PolarHBondContact N-SG 2.76Å; R728-C743 VanDerWaalsContact CZ-O 3.3Å; R728-C743 PolarHBondContact NE-O 3.26Å; R728-C743 PolarHBondContact NH2-O 2.81Å; W739-C743 HydrophobicContact CB-CB 4.4Å; C740-C743 WeakPolarHBondContact O-CA 3.29Å; C740-C743 PolarHBondContact O-N 3.36Å; N741-C743 PolarHBondContact O-N 2.68Å; C743-C749 VanDerWaalsContact SG-CB 3.56Å; C743-C749 VanDerWaalsContact SG-SG 3.65Å
744	K	92.7	Very high	89.6	Confident	79 Å²	79	86.1 Å²	86.1	34%	0.343	39%	0.393	S	S	.	.	H	α-helix	trans	-60.4	-52.5	166.7	-68.2	173	173.2	152.5	0	109.1	R728 R736 D737 W739 C740 N741 Q742 K746	R728-K744 PolarHBondContact NH2-O 2.91Å; R736-K744 WeakPolarHBondContact O-CE 2.99Å; D737-K744 PolarHBondContact O-NZ 2.97Å; W739-K744 HydrophobicContact CB-CG 3.9Å; W739-K744 HydrophobicContact CE3-CG 4.2Å; W739-K744 WeakPolarHBondContact O-CE 3.19Å; W739-K744 PolarHBondContact O-NZ 3.2Å; C740-K744 PolarHBondContact O-N 3.03Å; N741-K744 WeakPolarHBondContact O-CB 3.49Å; N741-K744 PolarHBondContact O-N 2.98Å; Q742-K744 VanDerWaalsContact C-N 3.34Å; Q742-K744 PolarHBondContact O-N 2.86Å; K744-K746 PolarHBondContact O-N 3.15Å; K744-K746 VanDerWaalsContact O-N 3.08Å
745	W	91.1	Very high	88.1	Confident	196 Å²	196	82.6 Å²	82.6	74%	0.742	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	25.2	177.5	-54.5	123.6	0	0	0	116.1	N741 Q742 K747	N741-W745 PolarHBondContact O-N 3.25Å; Q742-W745 CarbonylContact O-C 3.3Å; Q742-W745 VanDerWaalsContact O-C 3.3Å; Q742-W745 PolarHBondContact O-N 3.17Å; W745-K747 HydrophobicContact CB-CG 4.48Å; W745-K747 PolarHBondContact O-N 2.96Å
746	K	88.2	Confident	86.4	Confident	159 Å²	159	85.5 Å²	85.5	69%	0.691	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	-16.5	-174.8	-66.2	-178.4	178	178.8	0	117.2	Q742 K744	Q742-K746 CarbonylContact O-C 3.59Å; Q742-K746 PolarHBondContact O-N 3.02Å; K744-K746 PolarHBondContact O-N 3.15Å; K744-K746 VanDerWaalsContact O-N 3.08Å
747	K	89	Confident	84.8	Confident	120 Å²	120	82 Å²	82	52%	0.522	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-56.8	161.7	178	-60.2	-175.5	-178.3	-170.1	0	113.3	Q742 W745	Q742-K747 CarbonylContact C-O 3.59Å; Q742-K747 HydrophobicContact CB-CB 3.97Å; Q742-K747 WeakPolarHBondContact O-CA 3.43Å; Q742-K747 PolarHBondContact O-N 3.38Å; W745-K747 HydrophobicContact CB-CG 4.48Å; W745-K747 PolarHBondContact O-N 2.96Å
748	A	87	Confident	82.8	Confident	33 Å²	33	81 Å²	81	27%	0.273	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-48.6	147.9	179.1	0	0	0	0	0	113.2	Q742	Q742-A748 WeakPolarHBondContact CB-O 3.05Å; Q742-A748 PolarHBondContact NE2-O 2.79Å
749	C	93.2	Very high	80.8	Confident	8 Å²	8	82.2 Å²	82.2	5%	0.054	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-75.9	133.5	-174.4	-168.9	0	0	0	0	111.9	C743 F752	C743-C749 VanDerWaalsContact SG-CB 3.56Å; C743-C749 VanDerWaalsContact SG-SG 3.65Å; C749-F752 HydrophobicContact CB-CB 4.33Å; C749-F752 WeakPolarHBondContact CB-O 3.36Å; C749-F752 PolarHBondContact SG-N 3.04Å
750	R	88	Confident	78.3	Confident	197 Å²	197	91.3 Å²	91.3	74%	0.743	46%	0.457	S	S	*	.	S	Bend	trans	-95.4	-12.3	175.1	-142	-176.5	-89.6	-148	-1.1	113.6	Q742	Q742-R750 HydrophobicContact CG-CB 4.3Å; Q742-R750 VanDerWaalsContact OE1-CZ 3.25Å
751	R	88.3	Confident	76	Confident	132 Å²	132	99.9 Å²	99.9	50%	0.498	50%	0.495	S	S	.	.	S	Bend	trans	-89	-33	173	-79	-176.6	-178.8	-164.6	4.6	113.1	Y731 Q738 C740	Y731-R751 PolarHBondContact OH-NH1 2.98Å; Q738-R751 VanDerWaalsContact O-CZ 3.23Å; Q738-R751 PolarHBondContact O-NH1 3.05Å; C740-R751 HydrophobicContact CB-CG 4.04Å
752	F	84.2	Confident	73.6	Confident	53 Å²	53	98.2 Å²	98.2	23%	0.232	50%	0.496	C	S	.	.	S	Bend	trans	-119.8	96	178.4	-57.8	-68.5	0	0	0	105.7	R725 V730 Y731 C749	R725-F752 HydrophobicContact CB-CB 4.19Å; R725-F752 HydrophobicContact CB-CG 4.2Å; R725-F752 WeakPolarHBondContact O-CB 3.26Å; R725-F752 WeakPolarHBondContact O-CD2 3.46Å; R725-F752 VanDerWaalsContact O-CG 3.22Å; R725-F752 WeakPolarHBondContact O-CG 3.28Å; V730-F752 HydrophobicContact CB-CE2 3.92Å; V730-F752 HydrophobicContact CB-CZ 4.15Å; V730-F752 HydrophobicContact CG1-CE2 4.05Å; V730-F752 HydrophobicContact CG1-CZ 3.76Å; V730-F752 HydrophobicContact CG2-CD2 4.15Å; V730-F752 HydrophobicContact CG2-CE2 3.74Å; V730-F752 HydrophobicContact CG2-CZ 4.01Å; Y731-F752 HydrophobicContact CE2-CE2 4.19Å; C749-F752 HydrophobicContact CB-CB 4.33Å; C749-F752 WeakPolarHBondContact CB-O 3.36Å; C749-F752 PolarHBondContact SG-N 3.04Å
753	P	77.1	Confident	71.4	Confident	81 Å²	81	105.6 Å²	105.6	53%	0.526	53%	0.531	S	S	.	.			trans	-55.5	146	174.5	25.1	-33.5	0	0	0	108.8	V758	P753-V758 HydrophobicContact CB-CG2 3.9Å; P753-V758 HydrophobicContact CG-CG2 4.11Å
754	N	67.9	Low	68.5	Low	36 Å²	36	108.5 Å²	108.5	19%	0.193	56%	0.561	C	S	.	*			trans	-60.6	137.5	173.4	-58.1	-24.7	0	0	0	107	V724 C756 S757	V724-N754 WeakPolarHBondContact CG1-OD1 3.39Å; V724-N754 HydrophobicContact CG2-CB 4.33Å; N754-C756 PolarHBondContact O-N 3.41Å; N754-C756 VanDerWaalsContact O-N 3.1Å; N754-S757 PolarHBondContact N-OG 2.74Å; N754-S757 PolarHBondContact O-N 3.04Å; N754-S757 PolarHBondContact O-OG 3.05Å; N754-S757 VanDerWaalsContact O-OG 3.05Å
755	P	61.2	Low	66.4	Low	57 Å²	57	112.9 Å²	112.9	37%	0.37	59%	0.587	S	S	.	*	G	3₁₀ helix	trans	-57.7	-27.3	173.3	25	-34.5	0	0	0	111.3	I722 S757	I722-P755 HydrophobicContact CB-CB 4.42Å; I722-P755 HydrophobicContact CB-CG 4.11Å; I722-P755 HydrophobicContact CG2-CB 3.98Å; I722-P755 HydrophobicContact CG2-CG 3.78Å; P755-S757 PolarHBondContact O-N 2.94Å
756	C	56.5	Low	64.1	Low	124 Å²	124	107.2 Å²	107.2	84%	0.838	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-74.9	1.7	174	-44.2	0	0	0	0	114.9	N754	N754-C756 PolarHBondContact O-N 3.41Å; N754-C756 VanDerWaalsContact O-N 3.1Å
757	S	58.8	Low	61.8	Low	74 Å²	74	104.2 Å²	104.2	52%	0.517	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-128.3	29.8	-176.1	75.2	0	0	0	0	113.8	N754 P755	N754-S757 PolarHBondContact N-OG 2.74Å; N754-S757 PolarHBondContact O-N 3.04Å; N754-S757 PolarHBondContact O-OG 3.05Å; N754-S757 VanDerWaalsContact O-OG 3.05Å; P755-S757 PolarHBondContact O-N 2.94Å
758	V	54	Low	59.4	Low	88 Å²	88	104.4 Å²	104.4	53%	0.533	57%	0.566	S	S	.	*	S	Bend	trans	-132.3	122.6	176.6	-168.4	0	0	0	0	110.1	P753	P753-V758 HydrophobicContact CB-CG2 3.9Å; P753-V758 HydrophobicContact CG-CG2 4.11Å
759	S	50.8	Low	57.1	Low	100 Å²	100	109 Å²	109	70%	0.699	59%	0.587	S	S	*	*			trans	42	103.2	166.4	59.9	0	0	0	0	118.8
760	K	40.8	Very low	54.6	Low	205 Å²	205	116.9 Å²	116.9	89%	0.891	63%	0.627	S	S	*	*			trans	-102.5	5.2	158.8	-133.7	-179.5	-175.5	-174.6	0	114.2	A762	K760-A762 PolarHBondContact O-N 3.37Å
761	H	45.9	Very low	52.1	Low	197 Å²	197	112.7 Å²	112.7	91%	0.912	63%	0.625	S	S	*	*			trans	-91.6	62.1	172.8	-77.9	-89.5	0	0	0	111.7
762	A	44.9	Very low	49.6	Very low	72 Å²	72	112.9 Å²	112.9	60%	0.595	64%	0.641	S	S	*	*	S	Bend	trans	-162.7	118.3	168	0	0	0	0	0	113.6	K760	K760-A762 PolarHBondContact O-N 3.37Å
763	Q	44.6	Very low	47.4	Very low	204 Å²	204	119 Å²	119	95%	0.953	67%	0.67	S	S	*	*			trans	66.5	155.9	147.6	-59.9	173	-6.7	0	0	119.7
764	G	34.4	Very low	45.4	Very low	63 Å²	63	124.4 Å²	124.4	65%	0.649	69%	0.686	S	S	*	*			trans	-165.4	-172.2	-179.7	0	0	0	0	0	112.4
765	L	47.8	Very low	43.8	Very low	172 Å²	172	128.9 Å²	128.9	90%	0.901	72%	0.718	S	S	*	*			trans	78.8	140	-168.5	-50.1	171.1	0	0	0	114.9
766	S	43.4	Very low	42.4	Very low	77 Å²	77	132.6 Å²	132.6	54%	0.538	74%	0.735	S	S	.	*			cis	-165.6	136.8	-30.4	-156.5	0	0	0	0	113.2
767	N	40.5	Very low	41.5	Very low	95 Å²	95	136 Å²	136	51%	0.508	73%	0.73	S	S	.	*			trans	62.2	165.7	152.9	-79.7	-61.2	0	0	0	123.8	T357	T357-N767 PolarHBondContact O-N 2.86Å
768	R	37.6	Very low	40.4	Very low	124 Å²	124	140.5 Å²	140.5	47%	0.468	74%	0.743	S	S	.	*			trans	-159.8	156.3	-146.4	-145.2	-170.4	-174.5	-165.6	-2.1	115.1	S358 E359	S358-R768 VanDerWaalsContact OG-CD 3.27Å; S358-R768 WeakPolarHBondContact OG-CD 2.9Å; S358-R768 WeakPolarHBondContact OG-CG 3.02Å; E359-R768 IonicContact OE1-CZ 3.24Å; E359-R768 IonicContact OE1-NE 3.88Å; E359-R768 IonicContact OE1-NH2 3.04Å; E359-R768 PolarHBondContact OE1-NH2 3.4Å; E359-R768 IonicContact OE2-CZ 3.32Å; E359-R768 VanDerWaalsContact OE2-CZ 3.24Å; E359-R768 IonicContact OE2-NE 2.7Å; E359-R768 PolarHBondContact OE2-NE 3.36Å; E359-R768 IonicContact OE2-NH2 3.73Å; E359-R768 PolarHBondContact OE2-NH2 2.7Å
769	N	40.1	Very low	39.5	Very low	131 Å²	131	142 Å²	142	70%	0.701	75%	0.754	S	S	*	*			trans	76.6	140.5	153.1	-69.8	-24	0	0	0	123.9
770	L	39.6	Very low	38.9	Very low	173 Å²	173	145.1 Å²	145.1	91%	0.906	76%	0.761	S	S	*	*			trans	-157.4	124.8	150.1	-115.3	168.5	0	0	0	109.4
771	P	35.3	Very low	38.6	Very low	108 Å²	108	141.9 Å²	141.9	70%	0.701	75%	0.75	S	S	*	*			trans	-120.1	-175.9	-175.2	41.7	-32.2	0	0	0	115.6
772	V	36.8	Very low	38.2	Very low	136 Å²	136	136.1 Å²	136.1	82%	0.824	73%	0.731	S	S	*	*			trans	97.3	138.8	-178.9	178.2	0	0	0	0	113.1
773	E	37.1	Very low	37.9	Very low	183 Å²	183	139.6 Å²	139.6	86%	0.855	74%	0.74	S	S	*	*			cis	-132	-143.7	11.7	-150.2	172.6	171.1	0	0	115.3
774	K	34.8	Very low	37.7	Very low	194 Å²	194	135.6 Å²	135.6	84%	0.843	73%	0.729	S	S	*	*			trans	-158.7	127.6	-145.8	173.6	-171.9	179.3	-177	0	116.1
775	C	34.7	Very low	37.9	Very low	129 Å²	129	137.5 Å²	137.5	87%	0.872	73%	0.732	S	S	*	*			trans	-167.7	179.4	162.2	-144.1	0	0	0	0	112.8
776	N	33.2	Very low	37.6	Very low	136 Å²	136	137 Å²	137	73%	0.727	73%	0.726	S	S	*	*				-150.5	164.9	-91	-168.4	8.9	0	0	0	112.4
777	R	37.6	Very low	37.5	Very low	196 Å²	196	139.9 Å²	139.9	74%	0.74	73%	0.732	S	S	*	*			trans	73.2	98.5	165.6	-64	-168.5	177.6	-86.6	6.3	122.7
778	Q	34.4	Very low	37.2	Very low	167 Å²	167	140.3 Å²	140.3	78%	0.78	74%	0.742	S	S	*	*				47.2	141.6	119.5	-65.7	176.7	-62.3	0	0	124.2
779	P	34.9	Very low	37.4	Very low	120 Å²	120	140.2 Å²	140.2	78%	0.779	76%	0.755	S	S	*	*			trans	-104.8	-179.4	176.8	42.7	-36.8	0	0	0	115.3
780	I	38.3	Very low	37.4	Very low	165 Å²	165	141.4 Å²	141.4	85%	0.846	76%	0.759	S	S	*	*			trans	-137.1	134.9	173.4	-62	179.5	0	0	0	112.5
781	E	35.8	Very low	37.3	Very low	138 Å²	138	138.2 Å²	138.2	65%	0.645	75%	0.75	S	S	*	*			trans	-21.7	168.2	156.9	-70.6	175.6	-136.2	0	0	121.4	Y700	Y700-E781 PolarHBondContact OH-OE1 2.85Å
782	S	36.7	Very low	37.3	Very low	75 Å²	75	138.1 Å²	138.1	52%	0.524	75%	0.752	S	S	.	*			cis	-176.5	-172	-17	59.5	0	0	0	0	111.1
783	N	39	Very low	37.7	Very low	145 Å²	145	136.8 Å²	136.8	78%	0.775	75%	0.746	S	S	*	*			trans	84	149.6	162.6	-57.2	-43.3	0	0	0	119.7
784	V	39.9	Very low	37.7	Very low	121 Å²	121	134.3 Å²	134.3	73%	0.733	74%	0.744	S	S	*	*			cis	-162.8	169.1	-9.4	120.8	0	0	0	0	112.4
785	S	39.5	Very low	37.8	Very low	102 Å²	102	130.9 Å²	130.9	71%	0.713	74%	0.743	S	S	*	*			trans	79.6	147.7	166.4	-78.7	0	0	0	0	118.9
786	E	41.1	Very low	37.9	Very low	162 Å²	162	129.7 Å²	129.7	76%	0.757	74%	0.736	S	S	*	*			cis	-142.6	177.2	12.5	-139.9	171.4	-169.6	0	0	115.3
787	M	40.4	Very low	38.1	Very low	138 Å²	138	127.3 Å²	127.3	68%	0.68	73%	0.73	S	S	*	*			trans	-54.6	165.5	-172.9	68.4	-171.1	99.2	0	0	117
788	C	34.7	Very low	38.2	Very low	104 Å²	104	124.4 Å²	124.4	70%	0.703	73%	0.729	S	S	*	*			cis	-140	148.8	26.1	-89.4	0	0	0	0	111.1
789	V	41.8	Very low	38.4	Very low	122 Å²	122	123.5 Å²	123.5	74%	0.739	73%	0.728	S	S	*	*			cis	70	124	46.4	-179.9	0	0	0	0	110.9
790	I	40.5	Very low	38.4	Very low	156 Å²	156	122.3 Å²	122.3	80%	0.8	72%	0.722	S	S	*	*			cis	-138.5	180	11.4	-153.5	151.4	0	0	0	107.9
791	C	36.3	Very low	38.5	Very low	106 Å²	106	122 Å²	122	72%	0.716	72%	0.722	S	S	*	*			cis	-154.7	-171.4	15.9	-159.9	0	0	0	0	111.3
792	S	35.6	Very low	38.6	Very low	106 Å²	106	120 Å²	120	74%	0.741	72%	0.723	S	S	*	*			trans	-131.5	-155.3	176.8	-51.4	0	0	0	0	109.6
793	P	45.6	Very low	38.7	Very low	107 Å²	107	121.4 Å²	121.4	70%	0.695	73%	0.733	S	S	*	*			cis	-145.3	156.1	48.2	42.6	-22.8	0	0	0	118.4
794	T	37.2	Very low	38.7	Very low	132 Å²	132	122.5 Å²	122.5	81%	0.81	74%	0.735	S	S	*	*			trans	44.2	142.2	141.9	60.3	0	0	0	0	121.3
795	C	35.9	Very low	38.8	Very low	122 Å²	122	123.2 Å²	123.2	82%	0.824	74%	0.74	S	S	*	*			cis	-145.4	-165.1	28.8	57.5	0	0	0	0	110.8
796	S	38.1	Very low	39.1	Very low	103 Å²	103	123.7 Å²	123.7	72%	0.72	74%	0.744	S	S	*	*			cis	-144.4	-123.4	3.4	-152.3	0	0	0	0	114
797	S	37	Very low	39.4	Very low	87 Å²	87	122.2 Å²	122.2	61%	0.608	75%	0.748	S	S	*	*			trans	-150.8	175.7	-139.7	-46.9	0	0	0	0	115.4
798	D	39.6	Very low	39.8	Very low	134 Å²	134	120.8 Å²	120.8	72%	0.717	75%	0.752	S	S	*	*			trans	81	119.6	157.1	-47.7	-40.4	0	0	0	118.3
799	I	38.2	Very low	40.2	Very low	149 Å²	149	120.7 Å²	120.7	76%	0.764	75%	0.752	S	S	*	*			cis	92.6	134.6	37.7	-68.2	169.6	0	0	0	111.8
800	S	35.8	Very low	40.2	Very low	94 Å²	94	126.4 Å²	126.4	66%	0.657	76%	0.76	S	S	*	*			cis	-172.2	-165.5	-18.5	-86.6	0	0	0	0	108.7
801	L	39.2	Very low	40.6	Very low	159 Å²	159	123.5 Å²	123.5	83%	0.832	75%	0.752	S	S	*	*			trans	81.5	149.3	166.6	-79.6	70.3	0	0	0	116.8
802	S	38.1	Very low	40.8	Very low	97 Å²	97	125.4 Å²	125.4	68%	0.678	75%	0.754	S	S	*	*			cis	-160.3	176.7	-3	-124.7	0	0	0	0	114
803	S	39.8	Very low	41	Very low	104 Å²	104	125.1 Å²	125.1	73%	0.727	75%	0.752	S	S	*	*			trans	82.8	142.3	160.7	-57.2	0	0	0	0	118.5
804	M	39.4	Very low	40.7	Very low	167 Å²	167	125.5 Å²	125.5	82%	0.823	76%	0.756	S	S	*	*			cis	-166.4	132.8	-7.6	-107.7	-77.7	176	0	0	109.8
805	T	40.7	Very low	40.9	Very low	137 Å²	137	123.5 Å²	123.5	84%	0.84	75%	0.748	S	S	*	*			trans	-168.7	119.6	143.9	34.3	0	0	0	0	112.3
806	S	45.6	Very low	41.2	Very low	112 Å²	112	124.6 Å²	124.6	78%	0.783	74%	0.744	S	S	*	*			trans	41.2	119.6	145.4	-52.3	0	0	0	0	122
807	P	47.5	Very low	41.5	Very low	130 Å²	130	130.1 Å²	130.1	84%	0.844	75%	0.751	S	S	*	*			trans	-100.5	161.4	174	38.8	-34.1	0	0	0	114.9
808	S	49.9	Very low	41.7	Very low	109 Å²	109	129.5 Å²	129.5	76%	0.762	76%	0.758	S	S	*	*			trans	-145.4	115	158	60.1	0	0	0	0	111.9
809	S	42.2	Very low	42	Very low	102 Å²	102	130.2 Å²	130.2	71%	0.713	76%	0.762	S	S	*	*			trans	37	91.1	158.8	56.6	0	0	0	0	120
810	W	42.2	Very low	42.2	Very low	241 Å²	241	130.9 Å²	130.9	91%	0.913	77%	0.766	S	S	*	*				24.8	154.8	106.5	-63.7	81.3	0	0	0	119.9
811	P	48.9	Very low	42.7	Very low	95 Å²	95	130.6 Å²	130.6	62%	0.617	76%	0.764	S	S	*	*			cis	-148.5	-160.6	-33.9	38.7	-16.9	0	0	0	114.8
812	I	39.6	Very low	43.1	Very low	147 Å²	147	128.9 Å²	128.9	75%	0.754	76%	0.756	S	S	*	*			trans	96.6	87.5	156.6	-64.4	156.2	0	0	0	119.6
813	S	39.7	Very low	43.6	Very low	100 Å²	100	130.8 Å²	130.8	70%	0.699	76%	0.758	S	S	*	*				69.8	130.6	115.6	-50.1	0	0	0	0	125.1
814	S	40.1	Very low	43.7	Very low	114 Å²	114	130.8 Å²	130.8	80%	0.797	76%	0.759	S	S	*	*			trans	73.9	149.7	141.5	-61.3	0	0	0	0	120.4
815	S	42.2	Very low	44	Very low	91 Å²	91	129.4 Å²	129.4	64%	0.636	76%	0.759	S	S	*	*			cis	-175.8	160.2	-22.6	56.5	0	0	0	0	111.1
816	I	41.9	Very low	44.3	Very low	144 Å²	144	129 Å²	129	74%	0.738	76%	0.757	S	S	*	*			trans	74.9	117.2	150.2	-73.5	160.5	0	0	0	119.8
817	Y	44.2	Very low	44.6	Very low	220 Å²	220	128.9 Å²	128.9	86%	0.863	75%	0.753	S	S	*	*			trans	48.9	146.1	146	-72.9	-106.6	0	0	0	122.6
818	G	41	Very low	44.5	Very low	74 Å²	74	132.7 Å²	132.7	76%	0.763	75%	0.752	S	S	*	*			trans	-149.9	-63.4	-174.2	0	0	0	0	0	119.5
819	N	45.8	Very low	44.9	Very low	149 Å²	149	136 Å²	136	80%	0.797	75%	0.753	S	S	*	*			trans	69.4	149.3	176.2	-79.6	-8.1	0	0	0	122.3
820	L	43.3	Very low	45.1	Very low	162 Å²	162	137.2 Å²	137.2	85%	0.848	75%	0.752	S	S	*	*			trans	85.7	169.8	151.5	-102.4	70.9	0	0	0	122.8
821	S	45.4	Very low	45.2	Very low	88 Å²	88	132.5 Å²	132.5	62%	0.615	74%	0.743	S	S	*	*			trans	-149.8	172.1	-137.2	44.2	0	0	0	0	116
822	D	48.3	Very low	45	Very low	124 Å²	124	134 Å²	134	66%	0.663	75%	0.751	S	S	*	*				142.7	126.6	125.4	-78.3	-66.9	0	0	0	121
823	N	47.2	Very low	45.6	Very low	136 Å²	136	130.8 Å²	130.8	73%	0.727	75%	0.754	S	S	*	*			trans	59.3	107.9	137.1	-58.8	-39.9	0	0	0	127.6
824	S	43	Very low	45.8	Very low	105 Å²	105	139.2 Å²	139.2	73%	0.734	78%	0.782	S	S	*	*				54.2	140.4	103	-163.8	0	0	0	0	125
825	T	45.4	Very low	46.1	Very low	137 Å²	137	140.5 Å²	140.5	84%	0.84	78%	0.781	S	S	*	*			trans	-173.9	132.7	138.6	-76.2	0	0	0	0	113.6
826	V	46.9	Very low	46.3	Very low	129 Å²	129	143.1 Å²	143.1	78%	0.782	79%	0.789	S	S	*	*			trans	-160.6	-176	174.6	-64.6	0	0	0	0	110.2
827	P	53	Low	46.6	Very low	109 Å²	109	143 Å²	143	71%	0.708	79%	0.792	S	S	*	*			cis	-128	-161.5	-20	42.7	-25.6	0	0	0	112.6
828	Y	45.1	Very low	46.7	Very low	210 Å²	210	138.5 Å²	138.5	82%	0.824	79%	0.787	S	S	*	*			trans	-169.5	142	155	-108.7	-50.3	0	0	0	120.5
829	K	58.6	Low	47.1	Very low	179 Å²	179	142.5 Å²	142.5	78%	0.778	79%	0.789	S	S	*	*			trans	72.9	157.2	150.8	-63.7	171.4	-172.1	174.6	0	121.7
830	N	45.3	Very low	47.2	Very low	128 Å²	128	142.1 Å²	142.1	68%	0.684	79%	0.788	S	S	*	*				-176.6	141.1	-52.3	-121	3.5	0	0	0	112.7
831	L	45.2	Very low	47.4	Very low	142 Å²	142	140.6 Å²	140.6	74%	0.743	78%	0.784	S	S	*	*			trans	61.1	156.4	149.3	-55.1	167	0	0	0	119.2
832	T	44.8	Very low	47.6	Very low	127 Å²	127	144.7 Å²	144.7	78%	0.779	80%	0.797	S	S	*	*			cis	-165.8	148.9	-25	22	0	0	0	0	110.3
833	G	51.3	Low	47.5	Very low	78 Å²	78	146.4 Å²	146.4	80%	0.804	81%	0.808	S	S	*	*			trans	95.2	103	131.1	0	0	0	0	0	120
834	E	44.8	Very low	47.6	Very low	277 Å²	277	147.4 Å²	147.4	100%	1.294	82%	0.816	S	S	*	*				-140.9	0	111.2	-150.2	169.4	-157.8	0	0	108.5

Retrieved 834 of 834 residues in 824.7 ms (Link to these results)

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