A0A5K4EU98_SCHMA Loading...

Nuclear receptor co-repressor related (Ncor)

AlphaFold DB , UniProt , Accession A0A5K4EU98, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,053 aa.

						>A0A5K4EU98_SCHMA|A0A5K4EU98
MGEFCSKPESGNSQSHPGVSPVGTQHTRSRESNVPNASTATAGFLSNMCDTISRLQSESHLPSNAPPPGLRIAPSPEQGYASSINRNGRSESFPSGGPVLTTGPHAGLLTPEDMLAAAQICSHLSQSQLNALAAAYHQQQQQIQRSVGPTASGTSTLGHVPGITFAQALAAVTSVSKSSSPTIPLGVHSSQQSPRLPVHSVQTPVHQGNQKRPPSGQSQFHSGHPIQMGSTTPGTRPASASQAILHHRGSHPGSSGFGTMSSHINPSQPITSHLDHSLHNAHHQTRASPSLSPSPGNNIYQNRRSQLAPPSTHPNKRPRISLGSQLPHSISSLPSAHVTNTIAPAEMEALLGSVVASKAMASIAAGPNFLNPNAYSAATEVAAAAAAALTPFYTSINNSSLSNPSSVATPNQTAYQPHIQHHGSVGSNSTSGTHLFNQQHVLPSSSSAYPGSLMGTLPGSLLTSYNNRPFPHATAPTQAITSGQTLVSAPVLGSQTVTSQPPLSHMPAKASHPTSVSQIPSRLISGHLHHPHAPTHPSQSSFHQSNHPLPQPGSQHHVMGHSNLPQGSGVLRQQTKEPAYHPQAIISDNRQRTRQRHLIFTRLCGPKVRPGPHALPFYRQPSDLSSVRAIQSNFRNHFRPKLVVYLRRRLRAEQSRINFLAQQYGRNSRVFTKKMDKLLSTTKRRQRDLRHRDIFEKVMPEVKKNREDREMGNTEYAKPGVDDDSGGVSNLNDGSQTTPYDAIEEMNKLKEYAIDPPVMLAPWQRRYQFICESGLITDCRAQLQENQDLSKWSEEEKQIFKERYLATPKNFTSIASYLERKSVADCIHYYYLSKKKEGYKQLLKKHNARRRRAAQTERGGGGGGTGGVSSNSNAGGSSGSHGSSSSNNSNMNTIPPSSGSCQNGHTNINSPRGERNETDEKDPRGLKNSQTDSSRFPESNETAEHKDVDGYKNTKKETHGGSSGSTGSRNRAGRGRPPQHTNHSTIDNHNVGSHGRSRGGNNCSRNSVEPHNVHVLSDVKVSEHETLVPTIEKESRFEDNVTSEPGVHDRIVT
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	37.9	Very low	249 Å²	249	144.1 Å²	144.1	100%	1.227	84%	0.839	S	S	*	*				0	57.3	0	-57	-52.6	-78.4	0	0	110.9
2	G	39.1	Very low	37.6	Very low	76 Å²	76	144.2 Å²	144.2	78%	0.784	83%	0.833	S	S	*	*			trans	-162.4	1.2	-174	0	0	0	0	0	117.2
3	E	36.4	Very low	37.5	Very low	185 Å²	185	142.3 Å²	142.3	86%	0.864	83%	0.834	S	S	*	*			trans	-139.1	67.8	-175.1	-66.4	-177.6	136.3	0	0	110.1
4	F	36.7	Very low	37.2	Very low	182 Å²	182	143 Å²	143	80%	0.798	83%	0.825	S	S	*	*			trans	-155.5	72.1	170.9	-101.4	-72.4	0	0	0	111.2
5	C	38.6	Very low	37.1	Very low	115 Å²	115	141.5 Å²	141.5	78%	0.777	83%	0.826	S	S	*	*			trans	-160.2	64.4	166	-109.1	0	0	0	0	112.8
6	S	40.8	Very low	37.2	Very low	120 Å²	120	142.6 Å²	142.6	84%	0.839	82%	0.82	S	S	*	*			trans	-122.6	104	162.1	-63.5	0	0	0	0	107.8
7	K	39.3	Very low	37.3	Very low	165 Å²	165	141.5 Å²	141.5	72%	0.717	82%	0.82	S	S	*	*			trans	-76.8	129.9	169.8	-90	-166.5	170.6	-166.6	0	108.7
8	P	39.5	Very low	37.2	Very low	126 Å²	126	137.5 Å²	137.5	82%	0.818	81%	0.814	S	S	*	*			trans	-70	145.2	147.1	32.4	-30.9	0	0	0	108.5
9	E	32.9	Very low	37.2	Very low	179 Å²	179	137.5 Å²	137.5	84%	0.836	82%	0.815	S	S	*	*			trans	-122.5	123	177.9	-170.9	171.1	156.7	0	0	108.8
10	S	39.2	Very low	37	Very low	113 Å²	113	136.3 Å²	136.3	79%	0.79	81%	0.814	S	S	*	*			trans	-132.2	120.2	178.9	56.9	0	0	0	0	109
11	G	36.8	Very low	37	Very low	75 Å²	75	135.5 Å²	135.5	77%	0.773	81%	0.812	S	S	*	*			trans	-73.2	-166.7	163.2	0	0	0	0	0	111.3
12	N	33.7	Very low	37	Very low	145 Å²	145	131 Å²	131	78%	0.775	80%	0.798	S	S	*	*			cis	-158.7	149	3.2	-177.6	32	0	0	0	109.5
13	S	36.3	Very low	36.8	Very low	120 Å²	120	130.3 Å²	130.3	84%	0.839	79%	0.791	S	S	*	*			trans	-176	150.1	149	28.3	0	0	0	0	110.4
14	Q	32.9	Very low	36.6	Very low	152 Å²	152	127.3 Å²	127.3	71%	0.71	79%	0.786	S	S	*	*			trans	-146.8	130.7	-164	174.2	-176.2	-12.2	0	0	110.3	H16	Q14-H16 PolarHBondContact NE2-NE2 2.81Å
15	S	36.8	Very low	36.6	Very low	121 Å²	121	127.2 Å²	127.2	85%	0.846	79%	0.788	S	S	*	*			trans	-147.9	164.9	164.9	57.5	0	0	0	0	110
16	H	37.6	Very low	36.3	Very low	158 Å²	158	129.2 Å²	129.2	73%	0.731	79%	0.786	S	S	*	*			trans	-112.2	166.2	-149.2	-91.5	-99.1	0	0	0	115.4	Q14	Q14-H16 PolarHBondContact NE2-NE2 2.81Å
17	P	39.7	Very low	36	Very low	124 Å²	124	130.4 Å²	130.4	81%	0.805	79%	0.788	S	S	*	*			trans	-101	171.8	-157.5	39.6	-37.7	0	0	0	115.9
18	G	35.5	Very low	35.5	Very low	70 Å²	70	133.3 Å²	133.3	72%	0.722	79%	0.794	S	S	*	*			trans	-149.8	103.6	176.6	0	0	0	0	0	117
19	V	36.1	Very low	35.2	Very low	138 Å²	138	133.2 Å²	133.2	84%	0.836	80%	0.797	S	S	*	*			trans	56.6	107.8	131.2	-174.7	0	0	0	0	122
20	S	34.2	Very low	35.2	Very low	112 Å²	112	135.7 Å²	135.7	78%	0.783	80%	0.798	S	S	*	*			trans	76.9	148.9	136.9	-62.9	0	0	0	0	124.4
21	P	36.9	Very low	34.8	Very low	121 Å²	121	139.1 Å²	139.1	79%	0.786	80%	0.802	S	S	*	*			trans	-115	159.2	-179.7	42.3	-33.1	0	0	0	116.3
22	V	38.5	Very low	34.8	Very low	153 Å²	153	140.9 Å²	140.9	93%	0.927	80%	0.802	S	S	*	*			trans	-148.7	146.8	162.4	-178.7	0	0	0	0	106.7
23	G	34.8	Very low	34.9	Very low	62 Å²	62	141.7 Å²	141.7	64%	0.639	81%	0.807	S	S	*	*			cis	164.1	126.2	-8.3	0	0	0	0	0	111.6
24	T	32.5	Very low	35	Very low	123 Å²	123	142.4 Å²	142.4	76%	0.755	81%	0.806	S	S	*	*			trans	39.7	119.6	154.7	-49.2	0	0	0	0	120.9
25	Q	35.1	Very low	35.2	Very low	179 Å²	179	140.4 Å²	140.4	84%	0.836	81%	0.806	S	S	*	*				-156.3	156.3	122.4	-101.3	-48.8	-17.2	0	0	112.4
26	H	33.6	Very low	35	Very low	158 Å²	158	141.7 Å²	141.7	73%	0.731	80%	0.803	S	S	*	*			trans	-105.1	138.4	-176.5	-91.7	-61.7	0	0	0	113.3
27	T	34.6	Very low	34.8	Very low	144 Å²	144	138.3 Å²	138.3	88%	0.883	80%	0.803	S	S	*	*			trans	-132.8	121.8	146.3	49	0	0	0	0	110.3
28	R	28.5	Very low	34.8	Very low	227 Å²	227	137.4 Å²	137.4	86%	0.857	80%	0.799	S	S	*	*			trans	-103.9	171.6	166.5	-94.4	-175.5	169.1	-170.4	-2.2	108.9
29	S	33.8	Very low	35.1	Very low	124 Å²	124	139.3 Å²	139.3	87%	0.867	80%	0.797	S	S	*	*			trans	86.4	141.8	-178.3	-35.3	0	0	0	0	112.8
30	R	33.1	Very low	35.2	Very low	231 Å²	231	136.3 Å²	136.3	87%	0.872	79%	0.787	S	S	*	*			cis	-148.3	155.2	1.5	-168.3	168.4	173.4	167.2	-4.7	109.2
31	E	29.1	Very low	35.5	Very low	185 Å²	185	135.3 Å²	135.3	86%	0.864	78%	0.776	S	S	*	*			trans	-64.3	138.8	175.6	-64	141.8	117	0	0	112
32	S	37.5	Very low	35.9	Very low	112 Å²	112	132.6 Å²	132.6	78%	0.783	76%	0.764	S	S	*	*			trans	-122.9	118	166.4	53.4	0	0	0	0	109.3	V34	S32-V34 PolarHBondContact O-N 2.84Å
33	N	35.1	Very low	36.7	Very low	162 Å²	162	127.1 Å²	127.1	87%	0.866	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-64.7	133.6	179	-83.3	-62.1	0	0	0	111.1	P35	N33-P35 WeakPolarHBondContact O-CD 3.47Å
34	V	38.3	Very low	37.1	Very low	135 Å²	135	131 Å²	131	82%	0.818	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-78.6	120.1	164.1	-179.4	0	0	0	0	107.8	S32	S32-V34 PolarHBondContact O-N 2.84Å
35	P	38.7	Very low	38	Very low	110 Å²	110	129.8 Å²	129.8	71%	0.714	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-72.6	148.8	-179.8	29.6	-34.5	0	0	0	111.8	N33	N33-P35 WeakPolarHBondContact O-CD 3.47Å
36	N	31.8	Very low	38.9	Very low	147 Å²	147	124.4 Å²	124.4	79%	0.786	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-56.7	137.2	177.8	-94.1	-30.5	0	0	0	112.2	S38	N36-S38 PolarHBondContact O-N 2.9Å
37	A	34.2	Very low	39.9	Very low	88 Å²	88	122 Å²	122	73%	0.727	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	2.2	-171.6	0	0	0	0	0	116
38	S	39.7	Very low	40.7	Very low	104 Å²	104	119 Å²	119	73%	0.727	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-21.6	-176.2	-53.5	0	0	0	0	114.6	N36	N36-S38 PolarHBondContact O-N 2.9Å
39	T	41.1	Very low	41.9	Very low	111 Å²	111	112 Å²	112	68%	0.681	66%	0.663	S	S	*	*	S	Bend	trans	-86.5	-27.4	-175	-48.8	0	0	0	0	113.3	T41 A42	T39-T41 VanDerWaalsContact C-N 3.27Å; T39-T41 PolarHBondContact O-N 3.47Å; T39-A42 PolarHBondContact O-N 2.95Å
40	A	38.5	Very low	42.8	Very low	75 Å²	75	110.2 Å²	110.2	62%	0.62	64%	0.643	S	S	*	*	H	α-helix	trans	-59.2	-36.6	-176.2	0	0	0	0	0	113.1	A42 G43 F44	A40-A42 VanDerWaalsContact C-N 3.28Å; A40-A42 PolarHBondContact O-N 2.78Å; A40-G43 PolarHBondContact O-N 3.1Å; A40-F44 PolarHBondContact O-N 2.91Å; A40-F44 VanDerWaalsContact O-N 3.07Å
41	T	40.5	Very low	44.1	Very low	90 Å²	90	103 Å²	103	55%	0.552	63%	0.625	S	S	*	*	H	α-helix	trans	-61.2	-34	-179.4	-37.7	0	0	0	0	112.9	T39 L45	T39-T41 VanDerWaalsContact C-N 3.27Å; T39-T41 PolarHBondContact O-N 3.47Å; T41-L45 WeakPolarHBondContact O-CG 3.44Å; T41-L45 PolarHBondContact O-N 2.84Å; T41-L45 VanDerWaalsContact O-N 3.13Å
42	A	45.4	Very low	45.5	Very low	64 Å²	64	98 Å²	98	53%	0.529	60%	0.604	S	S	.	*	H	α-helix	trans	-71.5	-44.6	-179.7	0	0	0	0	0	111.9	T39 A40 F44 L45 S46	T39-A42 PolarHBondContact O-N 2.95Å; A40-A42 VanDerWaalsContact C-N 3.28Å; A40-A42 PolarHBondContact O-N 2.78Å; A42-F44 VanDerWaalsContact C-N 3.33Å; A42-F44 PolarHBondContact O-N 3.29Å; A42-L45 PolarHBondContact O-N 3.22Å; A42-S46 PolarHBondContact O-N 3.09Å; A42-S46 VanDerWaalsContact O-N 3.08Å
43	G	54	Low	46.5	Very low	39 Å²	39	96 Å²	96	40%	0.402	59%	0.59	S	S	.	*	H	α-helix	trans	-64.1	-37.8	175.2	0	0	0	0	0	112.6	A40 S46 N47	A40-G43 PolarHBondContact O-N 3.1Å; G43-S46 PolarHBondContact O-N 3.29Å; G43-N47 PolarHBondContact O-N 2.92Å
44	F	44.7	Very low	47	Very low	144 Å²	144	96.7 Å²	96.7	63%	0.632	58%	0.58	S	S	*	*	H	α-helix	trans	-64.1	-40.4	176.2	-165.1	-100.2	0	0	0	112.4	A40 A42 M48	A40-F44 PolarHBondContact O-N 2.91Å; A40-F44 VanDerWaalsContact O-N 3.07Å; A42-F44 VanDerWaalsContact C-N 3.33Å; A42-F44 PolarHBondContact O-N 3.29Å; F44-M48 HydrophobicContact CD1-CE 3.77Å; F44-M48 HydrophobicContact CE1-CE 3.48Å; F44-M48 VanDerWaalsContact CE1-CE 3.48Å; F44-M48 WeakPolarHBondContact O-CB 3.48Å; F44-M48 PolarHBondContact O-N 3.03Å
45	L	50.6	Low	47.5	Very low	96 Å²	96	96.8 Å²	96.8	50%	0.503	58%	0.575	S	S	.	*	H	α-helix	trans	-67.6	-39.8	175.6	-73	170.1	0	0	0	112.6	T41 A42 M48 C49	T41-L45 WeakPolarHBondContact O-CG 3.44Å; T41-L45 PolarHBondContact O-N 2.84Å; T41-L45 VanDerWaalsContact O-N 3.13Å; A42-L45 PolarHBondContact O-N 3.22Å; L45-M48 PolarHBondContact O-N 3.49Å; L45-C49 PolarHBondContact O-N 3.14Å; L45-C49 PolarHBondContact O-SG 3.27Å
46	S	54.9	Low	47.8	Very low	66 Å²	66	99 Å²	99	46%	0.462	58%	0.576	S	S	.	*	H	α-helix	trans	-60.5	-53.6	174.6	-161.8	0	0	0	0	111	A42 G43 M48 C49 D50	A42-S46 PolarHBondContact O-N 3.09Å; A42-S46 VanDerWaalsContact O-N 3.08Å; G43-S46 PolarHBondContact O-N 3.29Å; S46-M48 PolarHBondContact O-N 2.92Å; S46-C49 PolarHBondContact O-N 3.39Å; S46-D50 PolarHBondContact O-N 3.26Å
47	N	53.5	Low	48.5	Very low	108 Å²	108	95.6 Å²	95.6	58%	0.578	56%	0.564	S	S	*	*	H	α-helix	trans	-59.6	-33.6	179	-74	2.3	0	0	0	112.5	G43 T51	G43-N47 PolarHBondContact O-N 2.92Å; N47-T51 VanDerWaalsContact O-CB 3.27Å; N47-T51 WeakPolarHBondContact O-CB 3.45Å; N47-T51 PolarHBondContact O-N 3.07Å; N47-T51 PolarHBondContact O-OG1 3.23Å
48	M	51.9	Low	48.5	Very low	82 Å²	82	99.4 Å²	99.4	40%	0.404	57%	0.566	S	S	.	*	H	α-helix	trans	-66.2	-46.1	174.8	-169.3	-172.3	-54.8	0	0	111.6	F44 L45 S46 T51 I52	F44-M48 HydrophobicContact CD1-CE 3.77Å; F44-M48 HydrophobicContact CE1-CE 3.48Å; F44-M48 VanDerWaalsContact CE1-CE 3.48Å; F44-M48 WeakPolarHBondContact O-CB 3.48Å; F44-M48 PolarHBondContact O-N 3.03Å; L45-M48 PolarHBondContact O-N 3.49Å; S46-M48 PolarHBondContact O-N 2.92Å; M48-T51 PolarHBondContact O-N 3.35Å; M48-I52 HydrophobicContact CG-CD1 4Å; M48-I52 WeakPolarHBondContact O-CB 3.26Å; M48-I52 VanDerWaalsContact O-CG1 3.27Å; M48-I52 WeakPolarHBondContact O-CG1 3.26Å; M48-I52 PolarHBondContact O-N 2.84Å
49	C	54.1	Low	48.2	Very low	78 Å²	78	98.9 Å²	98.9	53%	0.527	56%	0.563	S	S	.	*	H	α-helix	trans	-63.2	-42.2	175.4	-71.7	0	0	0	0	112.4	L45 S46 I52 S53	L45-C49 PolarHBondContact O-N 3.14Å; L45-C49 PolarHBondContact O-SG 3.27Å; S46-C49 PolarHBondContact O-N 3.39Å; C49-I52 PolarHBondContact O-N 3.33Å; C49-S53 WeakPolarHBondContact O-CB 3.4Å; C49-S53 PolarHBondContact O-N 3.45Å; C49-S53 PolarHBondContact O-OG 2.9Å
50	D	52.2	Low	48	Very low	87 Å²	87	101.9 Å²	101.9	47%	0.465	57%	0.569	S	S	.	*	H	α-helix	trans	-64.9	-40.2	176.5	-72	-47.7	0	0	0	111.6	S46 S53 R54	S46-D50 PolarHBondContact O-N 3.26Å; D50-S53 PolarHBondContact O-N 3.23Å; D50-R54 WeakPolarHBondContact O-CG 3.45Å; D50-R54 PolarHBondContact O-N 3.16Å
51	T	61.2	Low	47.7	Very low	79 Å²	79	106.3 Å²	106.3	49%	0.485	58%	0.581	S	S	.	*	H	α-helix	trans	-66.9	-44.6	177.2	-56.6	0	0	0	0	111.4	N47 M48 S53 R54 L55	N47-T51 VanDerWaalsContact O-CB 3.27Å; N47-T51 WeakPolarHBondContact O-CB 3.45Å; N47-T51 PolarHBondContact O-N 3.07Å; N47-T51 PolarHBondContact O-OG1 3.23Å; M48-T51 PolarHBondContact O-N 3.35Å; T51-S53 VanDerWaalsContact C-N 3.31Å; T51-S53 PolarHBondContact O-N 2.92Å; T51-R54 PolarHBondContact O-N 3.25Å; T51-L55 HydrophobicContact CG2-CD1 4.07Å; T51-L55 WeakPolarHBondContact O-CB 3.45Å; T51-L55 VanDerWaalsContact O-CG 3.29Å; T51-L55 WeakPolarHBondContact O-CG 3.44Å; T51-L55 PolarHBondContact O-N 3.23Å
52	I	57.2	Low	47.4	Very low	82 Å²	82	107.6 Å²	107.6	42%	0.421	59%	0.591	S	S	.	*	H	α-helix	trans	-62.1	-40.1	174.7	-69.2	166	0	0	0	110.9	M48 C49 L55 Q56	M48-I52 HydrophobicContact CG-CD1 4Å; M48-I52 WeakPolarHBondContact O-CB 3.26Å; M48-I52 VanDerWaalsContact O-CG1 3.27Å; M48-I52 WeakPolarHBondContact O-CG1 3.26Å; M48-I52 PolarHBondContact O-N 2.84Å; C49-I52 PolarHBondContact O-N 3.33Å; I52-L55 PolarHBondContact O-N 2.92Å; I52-Q56 WeakPolarHBondContact O-CG 3Å; I52-Q56 PolarHBondContact O-N 2.94Å; I52-Q56 VanDerWaalsContact O-N 3.13Å
53	S	58.3	Low	46.8	Very low	69 Å²	69	109 Å²	109	48%	0.483	60%	0.597	S	S	.	*	H	α-helix	trans	-66.4	-41.4	178.3	-57	0	0	0	0	112	C49 D50 T51 Q56 S57	C49-S53 WeakPolarHBondContact O-CB 3.4Å; C49-S53 PolarHBondContact O-N 3.45Å; C49-S53 PolarHBondContact O-OG 2.9Å; D50-S53 PolarHBondContact O-N 3.23Å; T51-S53 VanDerWaalsContact C-N 3.31Å; T51-S53 PolarHBondContact O-N 2.92Å; S53-Q56 PolarHBondContact O-N 3.42Å; S53-S57 PolarHBondContact O-N 3.22Å; S53-S57 PolarHBondContact O-OG 2.68Å
54	R	47.4	Very low	45.8	Very low	177 Å²	177	114.5 Å²	114.5	67%	0.668	62%	0.617	S	S	*	*	H	α-helix	trans	-60.7	-48.8	173.4	-76.2	179.9	175.2	-144.2	-1.9	111.8	D50 T51 Q56 S57 E58	D50-R54 WeakPolarHBondContact O-CG 3.45Å; D50-R54 PolarHBondContact O-N 3.16Å; T51-R54 PolarHBondContact O-N 3.25Å; R54-Q56 PolarHBondContact O-N 3.27Å; R54-Q56 VanDerWaalsContact O-N 3.1Å; R54-S57 WeakPolarHBondContact CA-OG 3.4Å; R54-S57 PolarHBondContact O-N 3.33Å; R54-S57 PolarHBondContact O-OG 2.9Å; R54-E58 PolarHBondContact O-N 3.36Å
55	L	47.6	Very low	45.3	Very low	136 Å²	136	112.1 Å²	112.1	71%	0.712	62%	0.624	S	S	*	*	H	α-helix	trans	-62	-14.9	176.9	-71	170.7	0	0	0	114.1	T51 I52	T51-L55 HydrophobicContact CG2-CD1 4.07Å; T51-L55 WeakPolarHBondContact O-CB 3.45Å; T51-L55 VanDerWaalsContact O-CG 3.29Å; T51-L55 WeakPolarHBondContact O-CG 3.44Å; T51-L55 PolarHBondContact O-N 3.23Å; I52-L55 PolarHBondContact O-N 2.92Å
56	Q	45.7	Very low	44.5	Very low	158 Å²	158	113.5 Å²	113.5	74%	0.738	64%	0.639	S	S	*	*	H	α-helix	trans	-97.6	-8.7	172.9	-72.8	-178.1	1.2	0	0	114.1	I52 S53 R54	I52-Q56 WeakPolarHBondContact O-CG 3Å; I52-Q56 PolarHBondContact O-N 2.94Å; I52-Q56 VanDerWaalsContact O-N 3.13Å; S53-Q56 PolarHBondContact O-N 3.42Å; R54-Q56 PolarHBondContact O-N 3.27Å; R54-Q56 VanDerWaalsContact O-N 3.1Å
57	S	46.3	Very low	43.9	Very low	75 Å²	75	116 Å²	116	52%	0.524	65%	0.654	S	S	.	*	H	α-helix	trans	-106.6	-28.2	-176.6	56.6	0	0	0	0	115.1	S53 R54 S59	S53-S57 PolarHBondContact O-N 3.22Å; S53-S57 PolarHBondContact O-OG 2.68Å; R54-S57 WeakPolarHBondContact CA-OG 3.4Å; R54-S57 PolarHBondContact O-N 3.33Å; R54-S57 PolarHBondContact O-OG 2.9Å; S57-S59 PolarHBondContact O-N 3.4Å; S57-S59 VanDerWaalsContact O-N 3.16Å
58	E	34.9	Very low	43.2	Very low	167 Å²	167	117 Å²	117	78%	0.78	67%	0.666	S	S	*	*			trans	-85.2	90.8	-177.9	-67.8	-175.5	148.2	0	0	111.9	R54	R54-E58 PolarHBondContact O-N 3.36Å
59	S	33.2	Very low	42.3	Very low	94 Å²	94	116.7 Å²	116.7	66%	0.657	68%	0.683	S	S	*	*			trans	-127	24.9	179	62.1	0	0	0	0	114.1	S57	S57-S59 PolarHBondContact O-N 3.4Å; S57-S59 VanDerWaalsContact O-N 3.16Å
60	H	36.8	Very low	41.4	Very low	174 Å²	174	121.8 Å²	121.8	81%	0.806	71%	0.705	S	S	*	*			trans	-130.9	125.8	-175.1	-52.6	-35	0	0	0	111.9
61	L	31.2	Very low	40.3	Very low	167 Å²	167	128.4 Å²	128.4	87%	0.874	72%	0.723	S	S	*	*			trans	-72.9	164.8	176.3	-72.2	169.3	0	0	0	111.1
62	P	34.5	Very low	39.1	Very low	117 Å²	117	132.6 Å²	132.6	76%	0.76	74%	0.741	S	S	*	*			cis	-153.5	162.5	35.1	43.6	-22.5	0	0	0	121.3
63	S	33.7	Very low	37.9	Very low	95 Å²	95	132.7 Å²	132.7	66%	0.664	75%	0.754	S	S	*	*			trans	61.1	134.8	135.9	-156.2	0	0	0	0	123.9
64	N	32	Very low	36.9	Very low	154 Å²	154	134.9 Å²	134.9	82%	0.824	77%	0.766	S	S	*	*			trans	58.7	100.1	150.4	-71.2	-13.7	0	0	0	121.3
65	A	33.7	Very low	36.2	Very low	94 Å²	94	132.2 Å²	132.2	78%	0.777	78%	0.775	S	S	*	*				175.3	134.4	114.7	0	0	0	0	0	112.6
66	P	35.4	Very low	35.7	Very low	125 Å²	125	131 Å²	131	81%	0.812	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-99.2	124.1	168.6	34.1	-27.9	0	0	0	112.5
67	P	41.9	Very low	35.1	Very low	119 Å²	119	130.9 Å²	130.9	77%	0.773	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-77.5	160	169.9	31.1	-32.8	0	0	0	112.5
68	P	37.8	Very low	34.5	Very low	129 Å²	129	135.5 Å²	135.5	84%	0.838	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-93.8	162.4	-159.8	36.7	-37.3	0	0	0	115.3
69	G	33.1	Very low	34.3	Very low	74 Å²	74	130.8 Å²	130.8	76%	0.763	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-88.7	161	176.1	0	0	0	0	0	114.9	R71	G69-R71 PolarHBondContact O-N 2.96Å
70	L	34.6	Very low	34.3	Very low	186 Å²	186	138.1 Å²	138.1	97%	0.974	80%	0.799	S	S	*	*			trans	-80.1	111.9	173.8	-75.9	165	0	0	0	111.2
71	R	29.6	Very low	33.9	Very low	225 Å²	225	134.3 Å²	134.3	85%	0.849	80%	0.798	S	S	*	*			trans	-95.9	134.1	163	-82.1	-171.6	175.9	-169.4	1	110.4	G69	G69-R71 PolarHBondContact O-N 2.96Å
72	I	36.1	Very low	34	Very low	168 Å²	168	132.5 Å²	132.5	86%	0.862	80%	0.799	S	S	*	*			trans	-142.4	134.4	149.2	-52.4	177.2	0	0	0	106.6
73	A	32.5	Very low	33.7	Very low	84 Å²	84	132.5 Å²	132.5	69%	0.694	80%	0.802	S	S	*	*			cis	-163.7	124.2	-34.6	0	0	0	0	0	105.5
74	P	37.7	Very low	33.9	Very low	114 Å²	114	135.9 Å²	135.9	74%	0.74	81%	0.811	S	S	*	*			trans	-93.1	159.1	-179.6	36.2	-34.1	0	0	0	112.6
75	S	31.4	Very low	34	Very low	121 Å²	121	134.7 Å²	134.7	85%	0.846	81%	0.805	S	S	*	*			trans	-140.3	156.4	165.9	-85.3	0	0	0	0	110.6
76	P	38.7	Very low	34.1	Very low	112 Å²	112	140 Å²	140	73%	0.727	81%	0.805	S	S	*	*			trans	-136.4	-169.3	-137.7	38.7	-19	0	0	0	116.2
77	E	32.1	Very low	34.1	Very low	155 Å²	155	141.5 Å²	141.5	72%	0.724	81%	0.806	S	S	*	*			trans	96	157.3	140.7	-122.8	179.8	-117.6	0	0	120.5
78	Q	34.6	Very low	33.7	Very low	171 Å²	171	139.5 Å²	139.5	80%	0.799	81%	0.807	S	S	*	*			trans	62	112.8	166.1	-61.8	159.8	40.3	0	0	116.6
79	G	30.4	Very low	33.5	Very low	69 Å²	69	145 Å²	145	71%	0.711	81%	0.811	S	S	*	*			cis	116.7	101.3	-6.1	0	0	0	0	0	114
80	Y	32.1	Very low	33.4	Very low	247 Å²	247	146.5 Å²	146.5	97%	0.969	81%	0.81	S	S	*	*			trans	-145.4	144.3	161.8	-97.6	-76.9	0	0	0	110.3
81	A	28.1	Very low	33.5	Very low	95 Å²	95	146.2 Å²	146.2	79%	0.785	80%	0.803	S	S	*	*			trans	-130	149.2	178.2	0	0	0	0	0	110.4
82	S	35	Very low	33.7	Very low	128 Å²	128	140 Å²	140	90%	0.895	80%	0.795	S	S	*	*			trans	-148.5	143.2	168.4	-86.2	0	0	0	0	109.9
83	S	28.2	Very low	33.5	Very low	117 Å²	117	141.3 Å²	141.3	82%	0.818	80%	0.795	S	S	*	*			trans	-140.5	132.8	-158.4	54.3	0	0	0	0	114.7
84	I	36.9	Very low	33.8	Very low	166 Å²	166	142.9 Å²	142.9	85%	0.851	80%	0.798	S	S	*	*			trans	-141.7	107.5	168.7	-70.5	169.7	0	0	0	104.5
85	N	33.7	Very low	33.6	Very low	129 Å²	129	143.6 Å²	143.6	69%	0.69	81%	0.805	S	S	*	*				68.3	122.1	58.8	-146.6	6	0	0	0	110.3
86	R	36	Very low	33.8	Very low	207 Å²	207	141.6 Å²	141.6	78%	0.781	80%	0.804	S	S	*	*			cis	-157.3	161.6	40.7	-72.3	168.2	176.2	173.1	-0.2	112.1
87	N	36.3	Very low	33.4	Very low	155 Å²	155	139.7 Å²	139.7	83%	0.829	80%	0.804	S	S	*	*			trans	46.6	140.3	148.3	-52.5	-3.9	0	0	0	120.1
88	G	33.7	Very low	33.5	Very low	78 Å²	78	138.5 Å²	138.5	80%	0.804	81%	0.81	S	S	*	*			cis	143.9	139.4	-2.2	0	0	0	0	0	111.8
89	R	32.8	Very low	33.4	Very low	244 Å²	244	137.2 Å²	137.2	92%	0.921	81%	0.813	S	S	*	*				173	141.7	129.5	-166.1	167.9	-174.1	166.6	0.9	109.9
90	S	30.4	Very low	33.2	Very low	105 Å²	105	141.9 Å²	141.9	73%	0.734	82%	0.821	S	S	*	*			trans	-128	144.8	-175.4	54.3	0	0	0	0	112
91	E	37.1	Very low	33.2	Very low	180 Å²	180	136.9 Å²	136.9	84%	0.841	82%	0.817	S	S	*	*			trans	-141	163.3	155.4	-74.3	-158.4	-179.7	0	0	110
92	S	34.8	Very low	33.4	Very low	95 Å²	95	139 Å²	139	66%	0.664	82%	0.82	S	S	*	*			trans	-158.9	147.7	-142.1	55	0	0	0	0	117.4
93	F	30.6	Very low	33.2	Very low	196 Å²	196	136.1 Å²	136.1	86%	0.86	81%	0.811	S	S	*	*			trans	64	173.7	158.6	-64.4	-57	0	0	0	118
94	P	39.5	Very low	33.6	Very low	117 Å²	117	136.8 Å²	136.8	76%	0.76	81%	0.812	S	S	*	*			cis	-129.7	154	-7.9	17.5	7.1	0	0	0	117.8
95	S	34.3	Very low	33.3	Very low	128 Å²	128	138.1 Å²	138.1	90%	0.895	81%	0.814	S	S	*	*			trans	53.1	140.1	130.9	-152.3	0	0	0	0	125.2
96	G	34.3	Very low	33.4	Very low	80 Å²	80	136.8 Å²	136.8	83%	0.825	82%	0.821	S	S	*	*			trans	100	132.5	156.7	0	0	0	0	0	116
97	G	31.5	Very low	33.4	Very low	71 Å²	71	130.9 Å²	130.9	73%	0.732	83%	0.825	S	S	*	*			cis	-167.8	167.7	-5.1	0	0	0	0	0	110.6
98	P	33.1	Very low	33.3	Very low	131 Å²	131	131.3 Å²	131.3	85%	0.851	83%	0.826	S	S	*	*			trans	-91.3	145.5	-164.6	34.7	-35.6	0	0	0	115.5
99	V	32.8	Very low	33.7	Very low	143 Å²	143	133.7 Å²	133.7	87%	0.867	82%	0.82	S	S	*	*			trans	-141.6	142.4	169.6	-177.7	0	0	0	0	111.2
100	L	27	Very low	35.4	Very low	168 Å²	168	125 Å²	125	88%	0.88	79%	0.794	S	S	*	*			trans	-77.3	150.5	-177.7	-64.4	154.2	0	0	0	113.4
101	T	32.2	Very low	36.9	Very low	142 Å²	142	125.4 Å²	125.4	87%	0.871	79%	0.794	S	S	*	*			trans	-156.3	137.4	161.5	168.1	0	0	0	0	111.8
102	T	32	Very low	38.3	Very low	140 Å²	140	124.4 Å²	124.4	86%	0.859	79%	0.789	S	S	*	*			trans	-110.7	139.5	-171.6	52.5	0	0	0	0	112.2
103	G	30.5	Very low	39.6	Very low	67 Å²	67	123.5 Å²	123.5	69%	0.691	78%	0.777	S	S	*	*			trans	-168.2	143.9	170.8	0	0	0	0	0	112.7
104	P	36.6	Very low	41.1	Very low	131 Å²	131	120.1 Å²	120.1	85%	0.851	77%	0.766	S	S	*	*			trans	-87.9	140.7	-167.5	33.3	-35.4	0	0	0	114.6
105	H	29.2	Very low	42.3	Very low	193 Å²	193	119.5 Å²	119.5	89%	0.894	76%	0.755	S	S	*	*			trans	-78.8	133.8	161.5	-97.9	-113.7	0	0	0	110.6
106	A	36.5	Very low	43.9	Very low	101 Å²	101	115.4 Å²	115.4	84%	0.835	73%	0.729	S	S	*	*			trans	-155.5	136.5	169.1	0	0	0	0	0	111.5
107	G	35.5	Very low	45.1	Very low	83 Å²	83	114 Å²	114	86%	0.856	71%	0.71	S	S	*	*			trans	95.9	8.5	156.3	0	0	0	0	0	119.1
108	L	35.4	Very low	46.5	Very low	164 Å²	164	113.3 Å²	113.3	86%	0.859	70%	0.697	S	S	*	*			trans	-95.1	104	164.3	-85.5	167.6	0	0	0	109.5	T110	L108-T110 PolarHBondContact O-N 3.13Å
109	L	42.7	Very low	48.1	Very low	129 Å²	129	112.4 Å²	112.4	68%	0.675	68%	0.682	S	S	*	*			trans	-57.4	130.5	167.4	-74.4	160.3	0	0	0	109.2	D113 M114	L109-D113 HydrophobicContact CB-CB 4.36Å; L109-D113 HydrophobicContact CD2-CB 3.66Å; L109-M114 HydrophobicContact CB-CG 4.5Å
110	T	67.7	Low	49.6	Very low	61 Å²	61	110.8 Å²	110.8	37%	0.374	67%	0.667	S	S	.	*			trans	-72.4	161.7	172.7	67.6	0	0	0	0	110.5	L108 E112 D113 M114	L108-T110 PolarHBondContact O-N 3.13Å; T110-E112 PolarHBondContact O-N 3.06Å; T110-E112 PolarHBondContact OG1-N 2.93Å; T110-D113 WeakPolarHBondContact CB-OD2 3.47Å; T110-D113 WeakPolarHBondContact CG2-OD2 3.33Å; T110-D113 PolarHBondContact N-OD2 2.9Å; T110-D113 PolarHBondContact O-N 3.37Å; T110-D113 PolarHBondContact OG1-N 3.46Å; T110-D113 PolarHBondContact OG1-OD2 3.1Å; T110-M114 PolarHBondContact O-N 2.83Å; T110-M114 VanDerWaalsContact O-N 3.08Å
111	P	62.2	Low	51.5	Low	114 Å²	114	105.9 Å²	105.9	74%	0.74	65%	0.646	S	S	*	*	H	α-helix	trans	-57.9	-25.4	168.9	-23.9	35.2	0	0	0	113	L115	P111-L115 WeakPolarHBondContact O-CB 3.35Å; P111-L115 PolarHBondContact O-N 3.13Å
112	E	66.4	Low	53	Low	158 Å²	158	103.2 Å²	103.2	74%	0.738	63%	0.633	S	S	*	*	H	α-helix	trans	-76.1	-43.1	179	-158.4	159.8	-143	0	0	111.2	T110 M114 L115 A116	T110-E112 PolarHBondContact O-N 3.06Å; T110-E112 PolarHBondContact OG1-N 2.93Å; E112-M114 VanDerWaalsContact C-N 3.3Å; E112-M114 PolarHBondContact O-N 3.38Å; E112-L115 PolarHBondContact O-N 3.2Å; E112-L115 VanDerWaalsContact O-N 3.13Å; E112-A116 WeakPolarHBondContact O-CB 3.38Å; E112-A116 PolarHBondContact O-N 3.01Å
113	D	62.3	Low	55	Low	77 Å²	77	104.1 Å²	104.1	41%	0.412	63%	0.627	S	S	.	*	H	α-helix	trans	-59.3	-41.4	169.9	-60.3	-61.1	0	0	0	111.4	L109 T110 L115 A116 A117	L109-D113 HydrophobicContact CB-CB 4.36Å; L109-D113 HydrophobicContact CD2-CB 3.66Å; T110-D113 WeakPolarHBondContact CB-OD2 3.47Å; T110-D113 WeakPolarHBondContact CG2-OD2 3.33Å; T110-D113 PolarHBondContact N-OD2 2.9Å; T110-D113 PolarHBondContact O-N 3.37Å; T110-D113 PolarHBondContact OG1-N 3.46Å; T110-D113 PolarHBondContact OG1-OD2 3.1Å; D113-L115 VanDerWaalsContact C-N 3.35Å; D113-A116 PolarHBondContact O-N 3.48Å; D113-A117 VanDerWaalsContact O-CB 3.27Å; D113-A117 WeakPolarHBondContact O-CB 3.46Å; D113-A117 PolarHBondContact O-N 3.39Å
114	M	60.5	Low	57.1	Low	125 Å²	125	103.2 Å²	103.2	62%	0.616	61%	0.606	S	S	*	*	H	α-helix	trans	-64.8	-37.8	175.5	-76.9	-178.3	51.9	0	0	112.3	L109 T110 E112 A118	L109-M114 HydrophobicContact CB-CG 4.5Å; T110-M114 PolarHBondContact O-N 2.83Å; T110-M114 VanDerWaalsContact O-N 3.08Å; E112-M114 VanDerWaalsContact C-N 3.3Å; E112-M114 PolarHBondContact O-N 3.38Å; M114-A118 WeakPolarHBondContact O-CB 3.19Å; M114-A118 PolarHBondContact O-N 2.73Å
115	L	65.2	Low	59.2	Low	103 Å²	103	99.3 Å²	99.3	54%	0.539	58%	0.582	S	S	.	*	H	α-helix	trans	-69.8	-43.7	177.1	-172.8	67.2	0	0	0	111.3	P111 E112 D113 A118 Q119	P111-L115 WeakPolarHBondContact O-CB 3.35Å; P111-L115 PolarHBondContact O-N 3.13Å; E112-L115 PolarHBondContact O-N 3.2Å; E112-L115 VanDerWaalsContact O-N 3.13Å; D113-L115 VanDerWaalsContact C-N 3.35Å; L115-A118 PolarHBondContact O-N 2.75Å; L115-Q119 WeakPolarHBondContact O-CG 3.46Å; L115-Q119 PolarHBondContact O-N 3.43Å
116	A	67.6	Low	61.2	Low	42 Å²	42	96.1 Å²	96.1	35%	0.347	57%	0.568	S	S	.	*	H	α-helix	trans	-61.6	-44.9	174.8	0	0	0	0	0	111.4	E112 D113 A118 Q119 I120	E112-A116 WeakPolarHBondContact O-CB 3.38Å; E112-A116 PolarHBondContact O-N 3.01Å; D113-A116 PolarHBondContact O-N 3.48Å; A116-A118 VanDerWaalsContact C-N 3.33Å; A116-A118 PolarHBondContact O-N 2.98Å; A116-Q119 PolarHBondContact O-N 2.9Å; A116-I120 VanDerWaalsContact O-CG1 3.28Å; A116-I120 WeakPolarHBondContact O-CG1 3.44Å; A116-I120 PolarHBondContact O-N 2.96Å
117	A	60.2	Low	63	Low	51 Å²	51	95.4 Å²	95.4	42%	0.421	56%	0.556	S	S	.	*	H	α-helix	trans	-61.2	-39.6	174.1	0	0	0	0	0	112.2	D113 C121	D113-A117 VanDerWaalsContact O-CB 3.27Å; D113-A117 WeakPolarHBondContact O-CB 3.46Å; D113-A117 PolarHBondContact O-N 3.39Å; A117-C121 WeakPolarHBondContact O-CB 3.45Å; A117-C121 PolarHBondContact O-N 2.93Å; A117-C121 PolarHBondContact O-SG 3.36Å
118	A	61.5	Low	65	Low	57 Å²	57	96.4 Å²	96.4	47%	0.471	54%	0.539	S	S	.	.	H	α-helix	trans	-66.7	-41.6	175.4	0	0	0	0	0	112.5	M114 L115 A116 C121 S122	M114-A118 WeakPolarHBondContact O-CB 3.19Å; M114-A118 PolarHBondContact O-N 2.73Å; L115-A118 PolarHBondContact O-N 2.75Å; A116-A118 VanDerWaalsContact C-N 3.33Å; A116-A118 PolarHBondContact O-N 2.98Å; A118-C121 PolarHBondContact O-N 3.09Å; A118-S122 PolarHBondContact O-N 2.85Å
119	Q	67.1	Low	66.8	Low	112 Å²	112	91.2 Å²	91.2	52%	0.523	51%	0.512	S	S	.	.	H	α-helix	trans	-62	-47.5	174.8	-75	174.5	-13.7	0	0	111.4	L115 A116 C121 S122 H123	L115-Q119 WeakPolarHBondContact O-CG 3.46Å; L115-Q119 PolarHBondContact O-N 3.43Å; A116-Q119 PolarHBondContact O-N 2.9Å; Q119-C121 PolarHBondContact O-N 3.12Å; Q119-S122 WeakPolarHBondContact O-CB 3.41Å; Q119-S122 PolarHBondContact O-N 3.23Å; Q119-S122 VanDerWaalsContact O-N 3.12Å; Q119-S122 PolarHBondContact O-OG 3.25Å; Q119-H123 PolarHBondContact O-CD2 3.02Å; Q119-H123 VanDerWaalsContact O-CD2 3.26Å; Q119-H123 PolarHBondContact O-N 3.25Å
120	I	63.9	Low	68.3	Low	109 Å²	109	89.5 Å²	89.5	56%	0.559	50%	0.503	S	S	*	.	H	α-helix	trans	-57.4	-51.3	175	-68.2	163.8	0	0	0	110.1	A116 S122 H123 L124	A116-I120 VanDerWaalsContact O-CG1 3.28Å; A116-I120 WeakPolarHBondContact O-CG1 3.44Å; A116-I120 PolarHBondContact O-N 2.96Å; I120-S122 PolarHBondContact O-N 2.98Å; I120-H123 PolarHBondContact O-N 3.39Å; I120-L124 HydrophobicContact CG2-CD1 3.99Å; I120-L124 WeakPolarHBondContact O-CD1 3.41Å; I120-L124 PolarHBondContact O-N 2.83Å
121	C	65.4	Low	68.7	Low	64 Å²	64	89.5 Å²	89.5	43%	0.432	51%	0.509	S	S	.	.	H	α-helix	trans	-58.8	-29.7	177.6	-74	0	0	0	0	113.6	A117 A118 Q119 H123 L124	A117-C121 WeakPolarHBondContact O-CB 3.45Å; A117-C121 PolarHBondContact O-N 2.93Å; A117-C121 PolarHBondContact O-SG 3.36Å; A118-C121 PolarHBondContact O-N 3.09Å; Q119-C121 PolarHBondContact O-N 3.12Å; C121-H123 VanDerWaalsContact C-N 3.26Å; C121-H123 PolarHBondContact O-N 2.84Å; C121-L124 PolarHBondContact O-N 2.7Å
122	S	64.6	Low	69.1	Low	86 Å²	86	89.5 Å²	89.5	60%	0.601	50%	0.502	S	S	*	.	H	α-helix	trans	-71.7	-16.6	177.7	78.3	0	0	0	0	114.3	A118 Q119 I120	A118-S122 PolarHBondContact O-N 2.85Å; Q119-S122 WeakPolarHBondContact O-CB 3.41Å; Q119-S122 PolarHBondContact O-N 3.23Å; Q119-S122 VanDerWaalsContact O-N 3.12Å; Q119-S122 PolarHBondContact O-OG 3.25Å; I120-S122 PolarHBondContact O-N 2.98Å
123	H	74.7	Confident	69.4	Low	159 Å²	159	84.7 Å²	84.7	74%	0.736	49%	0.49	S	S	*	.	H	α-helix	trans	-99.4	-8.7	176.4	-68.7	-62.6	0	0	0	114.1	Q119 I120 C121	Q119-H123 PolarHBondContact O-CD2 3.02Å; Q119-H123 VanDerWaalsContact O-CD2 3.26Å; Q119-H123 PolarHBondContact O-N 3.25Å; I120-H123 PolarHBondContact O-N 3.39Å; C121-H123 VanDerWaalsContact C-N 3.26Å; C121-H123 PolarHBondContact O-N 2.84Å
124	L	73.7	Confident	70.2	Confident	48 Å²	48	83.8 Å²	83.8	25%	0.251	49%	0.493	S	S	.	.	S	Bend	trans	-82.6	140.9	175.1	-88.4	71.6	0	0	0	111.2	I120 C121 Q128 L129 L132	I120-L124 HydrophobicContact CG2-CD1 3.99Å; I120-L124 WeakPolarHBondContact O-CD1 3.41Å; I120-L124 PolarHBondContact O-N 2.83Å; C121-L124 PolarHBondContact O-N 2.7Å; L124-Q128 HydrophobicContact CB-CB 4.13Å; L124-Q128 HydrophobicContact CD2-CB 4.01Å; L124-Q128 HydrophobicContact CG-CB 4Å; L124-L129 HydrophobicContact CB-CD2 4.12Å; L124-L129 HydrophobicContact CB-CG 3.91Å; L124-L129 HydrophobicContact CD2-CD2 3.91Å; L124-L129 HydrophobicContact CD2-CG 4.28Å; L124-L132 HydrophobicContact CD2-CD1 4.37Å
125	S	80.1	Confident	70.8	Confident	49 Å²	49	80.4 Å²	80.4	34%	0.343	49%	0.485	S	S	.	.			trans	-68.4	157.2	165.9	72.7	0	0	0	0	111.2	S127 Q128 L129	S125-S127 PolarHBondContact O-N 2.98Å; S125-S127 VanDerWaalsContact O-N 3.17Å; S125-S127 PolarHBondContact OG-N 3.46Å; S125-S127 PolarHBondContact OG-OG 2.91Å; S125-Q128 WeakPolarHBondContact O-CB 3.41Å; S125-Q128 PolarHBondContact O-N 3.46Å; S125-Q128 WeakPolarHBondContact OG-CG 3.34Å; S125-Q128 PolarHBondContact OG-N 2.87Å; S125-Q128 VanDerWaalsContact OG-N 3.09Å; S125-Q128 PolarHBondContact OG-OE1 3.3Å; S125-L129 PolarHBondContact O-N 3.17Å
126	Q	71	Confident	71.1	Confident	127 Å²	127	82.3 Å²	82.3	59%	0.593	49%	0.486	S	S	*	.	H	α-helix	trans	-56.9	-32.3	172.8	-171	62.9	58.5	0	0	112.3	N130	Q126-N130 PolarHBondContact NE2-OD1 3.38Å; Q126-N130 WeakPolarHBondContact O-CB 3.39Å; Q126-N130 PolarHBondContact O-N 2.67Å; Q126-N130 PolarHBondContact O-OD1 3.46Å
127	S	75	Confident	71.6	Confident	85 Å²	85	85.8 Å²	85.8	59%	0.594	50%	0.495	S	S	*	.	H	α-helix	trans	-68.2	-36.6	174.6	49.5	0	0	0	0	113	S125 A131	S125-S127 PolarHBondContact O-N 2.98Å; S125-S127 VanDerWaalsContact O-N 3.17Å; S125-S127 PolarHBondContact OG-N 3.46Å; S125-S127 PolarHBondContact OG-OG 2.91Å; S127-A131 WeakPolarHBondContact O-CB 3.5Å; S127-A131 PolarHBondContact O-N 3.38Å
128	Q	78.1	Confident	72.5	Confident	105 Å²	105	89 Å²	89	49%	0.491	50%	0.501	S	S	.	.	H	α-helix	trans	-69.8	-42.8	173.7	-72.1	167.2	-31.2	0	0	111.7	L124 S125 N130 A131 L132	L124-Q128 HydrophobicContact CB-CB 4.13Å; L124-Q128 HydrophobicContact CD2-CB 4.01Å; L124-Q128 HydrophobicContact CG-CB 4Å; S125-Q128 WeakPolarHBondContact O-CB 3.41Å; S125-Q128 PolarHBondContact O-N 3.46Å; S125-Q128 WeakPolarHBondContact OG-CG 3.34Å; S125-Q128 PolarHBondContact OG-N 2.87Å; S125-Q128 VanDerWaalsContact OG-N 3.09Å; S125-Q128 PolarHBondContact OG-OE1 3.3Å; Q128-N130 PolarHBondContact O-N 2.92Å; Q128-A131 PolarHBondContact O-N 2.89Å; Q128-L132 WeakPolarHBondContact O-CB 3.42Å; Q128-L132 PolarHBondContact O-N 3.06Å
129	L	72.2	Confident	73.1	Confident	54 Å²	54	91.7 Å²	91.7	28%	0.283	50%	0.504	S	S	.	.	H	α-helix	trans	-60.2	-44	174.3	-71.5	169.1	0	0	0	111.7	L124 S125 L132 A133	L124-L129 HydrophobicContact CB-CD2 4.12Å; L124-L129 HydrophobicContact CB-CG 3.91Å; L124-L129 HydrophobicContact CD2-CD2 3.91Å; L124-L129 HydrophobicContact CD2-CG 4.28Å; S125-L129 PolarHBondContact O-N 3.17Å; L129-L132 PolarHBondContact O-N 3.44Å; L129-A133 WeakPolarHBondContact O-CB 3.34Å; L129-A133 PolarHBondContact O-N 2.99Å
130	N	75.2	Confident	73.4	Confident	94 Å²	94	90 Å²	90	50%	0.503	50%	0.496	S	S	.	.	H	α-helix	trans	-63.8	-40.6	176	-70.3	0.3	0	0	0	112	Q126 Q128 A133 A134	Q126-N130 PolarHBondContact NE2-OD1 3.38Å; Q126-N130 WeakPolarHBondContact O-CB 3.39Å; Q126-N130 PolarHBondContact O-N 2.67Å; Q126-N130 PolarHBondContact O-OD1 3.46Å; Q128-N130 PolarHBondContact O-N 2.92Å; N130-A133 PolarHBondContact O-N 3.11Å; N130-A134 WeakPolarHBondContact O-CB 3.49Å; N130-A134 PolarHBondContact O-N 2.94Å
131	A	75	Confident	73.9	Confident	61 Å²	61	89.2 Å²	89.2	50%	0.504	49%	0.49	S	S	.	.	H	α-helix	trans	-66.1	-41.4	177.2	0	0	0	0	0	112.4	S127 Q128 A134 A135	S127-A131 WeakPolarHBondContact O-CB 3.5Å; S127-A131 PolarHBondContact O-N 3.38Å; Q128-A131 PolarHBondContact O-N 2.89Å; A131-A134 PolarHBondContact O-N 2.84Å; A131-A135 WeakPolarHBondContact O-CB 3.46Å; A131-A135 PolarHBondContact O-N 2.88Å
132	L	71.9	Confident	74.1	Confident	113 Å²	113	92.2 Å²	92.2	59%	0.592	50%	0.498	S	S	*	.	H	α-helix	trans	-64.6	-43.1	176.6	-169.6	155.3	0	0	0	111.2	L124 Q128 L129 A134 A135 Y136	L124-L132 HydrophobicContact CD2-CD1 4.37Å; Q128-L132 WeakPolarHBondContact O-CB 3.42Å; Q128-L132 PolarHBondContact O-N 3.06Å; L129-L132 PolarHBondContact O-N 3.44Å; L132-A134 PolarHBondContact O-N 3.02Å; L132-A135 PolarHBondContact O-N 3.38Å; L132-Y136 PolarHBondContact O-N 3.44Å
133	A	73.1	Confident	74	Confident	57 Å²	57	93.7 Å²	93.7	47%	0.471	50%	0.498	S	S	.	.	H	α-helix	trans	-61	-42	173.4	0	0	0	0	0	112.2	L129 N130 H137	L129-A133 WeakPolarHBondContact O-CB 3.34Å; L129-A133 PolarHBondContact O-N 2.99Å; N130-A133 PolarHBondContact O-N 3.11Å; A133-H137 WeakPolarHBondContact O-CB 3.5Å; A133-H137 PolarHBondContact O-N 2.7Å
134	A	78.1	Confident	72.9	Confident	58 Å²	58	93.1 Å²	93.1	48%	0.479	50%	0.496	S	S	.	.	H	α-helix	trans	-64.9	-43	176.6	0	0	0	0	0	112.6	N130 A131 L132 H137 Q138	N130-A134 WeakPolarHBondContact O-CB 3.49Å; N130-A134 PolarHBondContact O-N 2.94Å; A131-A134 PolarHBondContact O-N 2.84Å; L132-A134 PolarHBondContact O-N 3.02Å; A134-H137 PolarHBondContact O-N 3.17Å; A134-Q138 PolarHBondContact O-N 3.24Å
135	A	73.3	Confident	71.9	Confident	55 Å²	55	100.9 Å²	100.9	46%	0.455	52%	0.522	S	S	.	.	H	α-helix	trans	-62.1	-44.3	177.2	0	0	0	0	0	112.2	A131 L132 H137 Q138 Q139	A131-A135 WeakPolarHBondContact O-CB 3.46Å; A131-A135 PolarHBondContact O-N 2.88Å; L132-A135 PolarHBondContact O-N 3.38Å; A135-H137 VanDerWaalsContact C-N 3.3Å; A135-H137 PolarHBondContact O-N 3.02Å; A135-Q138 PolarHBondContact O-N 3.27Å; A135-Q139 PolarHBondContact O-N 3.07Å
136	Y	71.9	Confident	70.3	Confident	142 Å²	142	103.1 Å²	103.1	56%	0.557	54%	0.537	S	S	*	.	H	α-helix	trans	-60.1	-40.8	173.5	-179.2	-110.4	0	0	0	111.8	L132 Q139 Q140	L132-Y136 PolarHBondContact O-N 3.44Å; Y136-Q139 PolarHBondContact O-N 3.3Å; Y136-Q140 VanDerWaalsContact CE1-NE2 3.29Å; Y136-Q140 VanDerWaalsContact CZ-NE2 3.31Å; Y136-Q140 PolarHBondContact O-N 3.19Å; Y136-Q140 PolarHBondContact OH-NE2 3.42Å
137	H	78.5	Confident	68.9	Low	115 Å²	115	103 Å²	103	53%	0.532	55%	0.545	S	S	.	.	H	α-helix	trans	-68.7	-33.7	177.6	-148.3	-54.7	0	0	0	112.9	A133 A134 A135 Q141	A133-H137 WeakPolarHBondContact O-CB 3.5Å; A133-H137 PolarHBondContact O-N 2.7Å; A134-H137 PolarHBondContact O-N 3.17Å; A135-H137 VanDerWaalsContact C-N 3.3Å; A135-H137 PolarHBondContact O-N 3.02Å; H137-Q141 WeakPolarHBondContact O-CG 3.29Å; H137-Q141 PolarHBondContact O-N 2.82Å
138	Q	79.1	Confident	67.1	Low	118 Å²	118	102.3 Å²	102.3	55%	0.551	55%	0.551	S	S	*	*	H	α-helix	trans	-67.4	-41.3	173.5	-176.6	179	-2	0	0	111.7	A134 A135 Q140 Q141 Q142	A134-Q138 PolarHBondContact O-N 3.24Å; A135-Q138 PolarHBondContact O-N 3.27Å; Q138-Q140 VanDerWaalsContact C-N 3.34Å; Q138-Q140 PolarHBondContact O-N 3.02Å; Q138-Q141 PolarHBondContact O-N 3.38Å; Q138-Q141 VanDerWaalsContact O-N 3.15Å; Q138-Q142 PolarHBondContact O-N 3.31Å
139	Q	73.1	Confident	65.1	Low	115 Å²	115	103.4 Å²	103.4	54%	0.537	57%	0.567	S	S	.	*	H	α-helix	trans	-59.4	-43.5	175.3	-168.3	-176.4	23.7	0	0	111.4	A135 Y136 Q141 Q142 I143	A135-Q139 PolarHBondContact O-N 3.07Å; Y136-Q139 PolarHBondContact O-N 3.3Å; Q139-Q141 VanDerWaalsContact C-N 3.34Å; Q139-Q141 PolarHBondContact O-N 3.37Å; Q139-Q142 PolarHBondContact O-N 3.43Å; Q139-I143 WeakPolarHBondContact O-CG1 3.34Å; Q139-I143 PolarHBondContact O-N 3.22Å
140	Q	72.5	Confident	63.3	Low	75 Å²	75	108 Å²	108	35%	0.35	60%	0.597	S	S	.	*	H	α-helix	trans	-63.5	-36.8	174.9	-67.6	-163.6	11.4	0	0	113	Y136 Q138 I143 Q144	Y136-Q140 VanDerWaalsContact CE1-NE2 3.29Å; Y136-Q140 VanDerWaalsContact CZ-NE2 3.31Å; Y136-Q140 PolarHBondContact O-N 3.19Å; Y136-Q140 PolarHBondContact OH-NE2 3.42Å; Q138-Q140 VanDerWaalsContact C-N 3.34Å; Q138-Q140 PolarHBondContact O-N 3.02Å; Q140-I143 PolarHBondContact O-N 3.17Å; Q140-Q144 WeakPolarHBondContact O-CG 3.46Å; Q140-Q144 PolarHBondContact O-N 2.94Å; Q140-Q144 VanDerWaalsContact O-N 3.17Å
141	Q	74.5	Confident	61.5	Low	94 Å²	94	108.2 Å²	108.2	44%	0.439	61%	0.613	S	S	.	*	H	α-helix	trans	-67.6	-36.7	175.8	-72.3	-179.8	12.7	0	0	112.6	H137 Q138 Q139 Q144 R145	H137-Q141 WeakPolarHBondContact O-CG 3.29Å; H137-Q141 PolarHBondContact O-N 2.82Å; Q138-Q141 PolarHBondContact O-N 3.38Å; Q138-Q141 VanDerWaalsContact O-N 3.15Å; Q139-Q141 VanDerWaalsContact C-N 3.34Å; Q139-Q141 PolarHBondContact O-N 3.37Å; Q141-Q144 PolarHBondContact O-N 2.63Å; Q141-R145 WeakPolarHBondContact O-CG 3.36Å; Q141-R145 PolarHBondContact O-N 2.98Å
142	Q	69.9	Low	59.6	Low	126 Å²	126	110.8 Å²	110.8	59%	0.589	63%	0.627	S	S	*	*	H	α-helix	trans	-62	-43.7	173.9	-74.2	180	-23	0	0	111.6	Q138 Q139 Q144 R145	Q138-Q142 PolarHBondContact O-N 3.31Å; Q139-Q142 PolarHBondContact O-N 3.43Å; Q142-Q144 VanDerWaalsContact C-N 3.3Å; Q142-Q144 PolarHBondContact O-N 2.79Å; Q142-R145 PolarHBondContact O-N 3.28Å
143	I	62.4	Low	58	Low	118 Å²	118	107.8 Å²	107.8	61%	0.605	62%	0.624	S	S	*	*	H	α-helix	trans	-59.9	-40.7	176.6	-65.7	166.1	0	0	0	110.9	Q139 Q140 S146	Q139-I143 WeakPolarHBondContact O-CG1 3.34Å; Q139-I143 PolarHBondContact O-N 3.22Å; Q140-I143 PolarHBondContact O-N 3.17Å; I143-S146 PolarHBondContact O-OG 3.47Å
144	Q	52.4	Low	56.4	Low	147 Å²	147	111.4 Å²	111.4	69%	0.687	64%	0.64	S	S	*	*	H	α-helix	trans	-73.8	-28.6	179.4	-69.2	-176.3	34.6	0	0	114.2	Q140 Q141 Q142 S146	Q140-Q144 WeakPolarHBondContact O-CG 3.46Å; Q140-Q144 PolarHBondContact O-N 2.94Å; Q140-Q144 VanDerWaalsContact O-N 3.17Å; Q141-Q144 PolarHBondContact O-N 2.63Å; Q142-Q144 VanDerWaalsContact C-N 3.3Å; Q142-Q144 PolarHBondContact O-N 2.79Å; Q144-S146 PolarHBondContact O-N 3.34Å
145	R	53.8	Low	54.3	Low	211 Å²	211	113.8 Å²	113.8	80%	0.796	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-3.3	-179.3	-78.9	-179.8	175.2	-171.5	-0.2	114.9	Q141 Q142 V147	Q141-R145 WeakPolarHBondContact O-CG 3.36Å; Q141-R145 PolarHBondContact O-N 2.98Å; Q142-R145 PolarHBondContact O-N 3.28Å; R145-V147 VanDerWaalsContact C-N 3.32Å; R145-V147 PolarHBondContact O-N 3.08Å
146	S	44.5	Very low	52.5	Low	95 Å²	95	117.1 Å²	117.1	66%	0.664	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	6.6	-176.7	65.1	0	0	0	0	115.6	I143 Q144	I143-S146 PolarHBondContact O-OG 3.47Å; Q144-S146 PolarHBondContact O-N 3.34Å
147	V	43.5	Very low	50.6	Low	125 Å²	125	118.3 Å²	118.3	76%	0.758	68%	0.683	S	S	*	*			trans	-138.7	120.5	-175.6	-168.1	0	0	0	0	111.4	R145	R145-V147 VanDerWaalsContact C-N 3.32Å; R145-V147 PolarHBondContact O-N 3.08Å
148	G	35.3	Very low	48.5	Very low	71 Å²	71	115.6 Å²	115.6	73%	0.732	69%	0.687	S	S	*	*			trans	-111.1	165.3	-174.8	0	0	0	0	0	116.1
149	P	36.3	Very low	46.4	Very low	127 Å²	127	118.8 Å²	118.8	83%	0.825	70%	0.701	S	S	*	*			trans	-127.5	159.3	-165.2	41	-26.1	0	0	0	117.5
150	T	35.5	Very low	44.8	Very low	150 Å²	150	118.5 Å²	118.5	92%	0.92	71%	0.707	S	S	*	*			trans	-146.9	163.4	162.7	52.8	0	0	0	0	111.4
151	A	36.4	Very low	43.2	Very low	100 Å²	100	120.8 Å²	120.8	83%	0.826	73%	0.728	S	S	*	*			trans	-134.9	-172.1	-166.2	0	0	0	0	0	112.4
152	S	36.6	Very low	41.3	Very low	114 Å²	114	119.3 Å²	119.3	80%	0.797	74%	0.738	S	S	*	*			cis	-159.9	179	11.8	66.7	0	0	0	0	113
153	G	38.1	Very low	40	Very low	51 Å²	51	120.8 Å²	120.8	53%	0.526	75%	0.748	S	S	.	*			trans	82.7	150.8	157	0	0	0	0	0	119.4
154	T	38	Very low	39.1	Very low	132 Å²	132	118.9 Å²	118.9	81%	0.81	74%	0.742	S	S	*	*			cis	-156	133.2	-15.4	43.4	0	0	0	0	111.8
155	S	34.1	Very low	38.2	Very low	109 Å²	109	118.1 Å²	118.1	76%	0.762	74%	0.737	S	S	*	*			trans	26.3	150.3	148.3	61.3	0	0	0	0	123.3
156	T	36.4	Very low	37.5	Very low	125 Å²	125	111.4 Å²	111.4	77%	0.767	73%	0.727	S	S	*	*			cis	-123.2	-150.8	14.7	47.8	0	0	0	0	110.8
157	L	32.9	Very low	37.4	Very low	166 Å²	166	112.9 Å²	112.9	87%	0.869	72%	0.723	S	S	*	*			cis	-161.2	167.1	-2.8	-162.3	53.4	0	0	0	106.5
158	G	34.2	Very low	37	Very low	59 Å²	59	109.6 Å²	109.6	61%	0.608	71%	0.709	S	S	*	*			cis	161.1	163.4	-11.7	0	0	0	0	0	111.2
159	H	34.8	Very low	36.9	Very low	185 Å²	185	109.9 Å²	109.9	86%	0.856	69%	0.693	S	S	*	*			trans	67.7	140.5	176.9	-128	68.2	0	0	0	117.4
160	V	38.4	Very low	36.9	Very low	108 Å²	108	107.4 Å²	107.4	66%	0.655	68%	0.684	S	S	*	*			cis	-174.7	158.1	-31.3	111.4	0	0	0	0	108.9
161	P	38.7	Very low	36.8	Very low	123 Å²	123	104.2 Å²	104.2	80%	0.799	67%	0.672	S	S	*	*				-119.1	170.9	-58.7	33.7	-12.9	0	0	0	112.7
162	G	35.7	Very low	36.7	Very low	63 Å²	63	104.9 Å²	104.9	65%	0.649	67%	0.666	S	S	*	*			trans	-138.2	132.3	172.5	0	0	0	0	0	112	T164	G162-T164 PolarHBondContact O-N 3.19Å
163	I	42.4	Very low	36.2	Very low	157 Å²	157	105.1 Å²	105.1	81%	0.805	66%	0.663	S	S	*	*			trans	-60.7	130.4	-174.9	-56.7	171.6	0	0	0	110.2	Q167	I163-Q167 HydrophobicContact CG2-CB 4.32Å
164	T	44.2	Very low	35.9	Very low	78 Å²	78	108.2 Å²	108.2	48%	0.479	68%	0.676	S	S	.	*			trans	-93.5	151.8	-173.3	63.7	0	0	0	0	112.8	G162 A166 Q167 A168	G162-T164 PolarHBondContact O-N 3.19Å; T164-A166 PolarHBondContact O-N 2.82Å; T164-A166 VanDerWaalsContact O-N 3.16Å; T164-Q167 PolarHBondContact O-N 3.5Å; T164-Q167 PolarHBondContact OG1-OE1 2.83Å; T164-A168 PolarHBondContact O-N 3.45Å
165	F	32.1	Very low	35.4	Very low	131 Å²	131	108.6 Å²	108.6	58%	0.575	68%	0.678	S	S	*	*	H	α-helix	trans	-57.5	-29.1	-179.4	-173.7	-119.1	0	0	0	113.3	Q167 A168 L169	F165-Q167 VanDerWaalsContact C-N 3.34Å; F165-Q167 PolarHBondContact O-N 3.36Å; F165-A168 WeakPolarHBondContact O-CB 3.46Å; F165-A168 PolarHBondContact O-N 3.39Å; F165-A168 VanDerWaalsContact O-N 3.13Å; F165-L169 HydrophobicContact CD1-CD1 3.98Å; F165-L169 HydrophobicContact CE1-CD1 3.75Å; F165-L169 HydrophobicContact CE1-CG 4.37Å; F165-L169 HydrophobicContact CZ-CD1 4.28Å; F165-L169 HydrophobicContact CZ-CD2 4.43Å; F165-L169 HydrophobicContact CZ-CG 4.46Å; F165-L169 PolarHBondContact O-N 3.3Å; F165-L169 VanDerWaalsContact O-N 3.11Å
166	A	40	Very low	35.3	Very low	70 Å²	70	109 Å²	109	58%	0.579	68%	0.681	S	S	*	*	H	α-helix	trans	-62.1	-37.3	173.9	0	0	0	0	0	113	T164 A168 L169 A170	T164-A166 PolarHBondContact O-N 2.82Å; T164-A166 VanDerWaalsContact O-N 3.16Å; A166-A168 VanDerWaalsContact C-N 3.3Å; A166-A168 PolarHBondContact O-N 3.1Å; A166-L169 PolarHBondContact O-N 2.87Å; A166-A170 PolarHBondContact O-N 2.99Å
167	Q	41.7	Very low	34.8	Very low	126 Å²	126	113.1 Å²	113.1	59%	0.589	69%	0.688	S	S	*	*	H	α-helix	trans	-73.1	-23.2	175.3	-65.2	174.8	-75.8	0	0	112.5	I163 T164 F165	I163-Q167 HydrophobicContact CG2-CB 4.32Å; T164-Q167 PolarHBondContact O-N 3.5Å; T164-Q167 PolarHBondContact OG1-OE1 2.83Å; F165-Q167 VanDerWaalsContact C-N 3.34Å; F165-Q167 PolarHBondContact O-N 3.36Å
168	A	35.5	Very low	34.8	Very low	56 Å²	56	111.2 Å²	111.2	46%	0.463	69%	0.689	S	S	.	*	H	α-helix	trans	-76.6	-31.7	173.2	0	0	0	0	0	112.5	T164 F165 A166	T164-A168 PolarHBondContact O-N 3.45Å; F165-A168 WeakPolarHBondContact O-CB 3.46Å; F165-A168 PolarHBondContact O-N 3.39Å; F165-A168 VanDerWaalsContact O-N 3.13Å; A166-A168 VanDerWaalsContact C-N 3.3Å; A166-A168 PolarHBondContact O-N 3.1Å
169	L	33.3	Very low	34.9	Very low	77 Å²	77	112.1 Å²	112.1	40%	0.403	69%	0.686	S	S	.	*	H	α-helix	trans	-77	-35	177.6	-70	171.9	0	0	0	112.8	F165 A166 A171 V172	F165-L169 HydrophobicContact CD1-CD1 3.98Å; F165-L169 HydrophobicContact CE1-CD1 3.75Å; F165-L169 HydrophobicContact CE1-CG 4.37Å; F165-L169 HydrophobicContact CZ-CD1 4.28Å; F165-L169 HydrophobicContact CZ-CD2 4.43Å; F165-L169 HydrophobicContact CZ-CG 4.46Å; F165-L169 PolarHBondContact O-N 3.3Å; F165-L169 VanDerWaalsContact O-N 3.11Å; A166-L169 PolarHBondContact O-N 2.87Å; L169-A171 PolarHBondContact O-N 3.28Å; L169-V172 PolarHBondContact O-N 3.36Å; L169-V172 VanDerWaalsContact O-N 3.08Å
170	A	35.6	Very low	34.8	Very low	76 Å²	76	108.2 Å²	108.2	63%	0.628	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-15.2	176.6	0	0	0	0	0	114.4	A166	A166-A170 PolarHBondContact O-N 2.99Å
171	A	34.7	Very low	34.7	Very low	82 Å²	82	108.1 Å²	108.1	68%	0.678	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	2.1	177.6	0	0	0	0	0	114.3	L169	L169-A171 PolarHBondContact O-N 3.28Å
172	V	33.3	Very low	34.3	Very low	115 Å²	115	108.3 Å²	108.3	70%	0.697	68%	0.68	S	S	*	*	S	Bend	trans	-109.9	-8.6	-173.4	-177.1	0	0	0	0	112.6	L169	L169-V172 PolarHBondContact O-N 3.36Å; L169-V172 VanDerWaalsContact O-N 3.08Å
173	T	26.9	Very low	34.2	Very low	119 Å²	119	112.3 Å²	112.3	73%	0.73	69%	0.685	S	S	*	*			trans	-126.2	67.7	-171.7	58	0	0	0	0	113.1
174	S	31.7	Very low	33.6	Very low	115 Å²	115	110.3 Å²	110.3	80%	0.804	68%	0.682	S	S	*	*			trans	-140.8	139.3	162.9	57.5	0	0	0	0	111.1
175	V	27.2	Very low	32.9	Very low	140 Å²	140	115.1 Å²	115.1	85%	0.848	70%	0.704	S	S	*	*			trans	-102.7	136.3	-170	174.8	0	0	0	0	110.3
176	S	31	Very low	32.9	Very low	117 Å²	117	112.4 Å²	112.4	82%	0.818	71%	0.713	S	S	*	*			trans	-168.9	150.7	145.7	-87.3	0	0	0	0	112.7
177	K	26.1	Very low	32.6	Very low	213 Å²	213	115 Å²	115	93%	0.926	72%	0.721	S	S	*	*			trans	-96.1	125.5	171.8	-60.6	174.8	179.7	179.4	0	109.3
178	S	33.4	Very low	32.2	Very low	126 Å²	126	117.3 Å²	117.3	88%	0.881	73%	0.732	S	S	*	*			trans	-158.9	162.5	159.7	61.4	0	0	0	0	110.7
179	S	36.3	Very low	32.1	Very low	77 Å²	77	119.8 Å²	119.8	54%	0.538	75%	0.746	S	S	.	*			trans	-117.6	133.2	-158.6	47	0	0	0	0	115
180	S	32.5	Very low	32.2	Very low	103 Å²	103	120.8 Å²	120.8	72%	0.72	76%	0.759	S	S	*	*			trans	66.7	167.5	143.3	-57.6	0	0	0	0	119.3
181	P	35.9	Very low	32.2	Very low	107 Å²	107	124.2 Å²	124.2	70%	0.695	76%	0.762	S	S	*	*				-139.8	161	-54.3	39.6	-24.9	0	0	0	115.2
182	T	31.1	Very low	32.2	Very low	127 Å²	127	128.1 Å²	128.1	78%	0.779	77%	0.767	S	S	*	*			trans	66.6	159.9	165.5	8.4	0	0	0	0	114.9
183	I	32.5	Very low	32.3	Very low	146 Å²	146	127.8 Å²	127.8	75%	0.749	77%	0.769	S	S	*	*			cis	-139.5	156.1	24.9	-75	-68.8	0	0	0	109
184	P	30	Very low	33.1	Very low	115 Å²	115	127.7 Å²	127.7	75%	0.747	77%	0.771	S	S	*	*			trans	-74.8	152.5	-175.9	29.7	-38.6	0	0	0	116.6
185	L	30.2	Very low	33.3	Very low	179 Å²	179	134.1 Å²	134.1	94%	0.937	78%	0.777	S	S	*	*			trans	-81.7	111.3	174.6	-73.3	169.7	0	0	0	112.6
186	G	32.9	Very low	33.7	Very low	74 Å²	74	135.3 Å²	135.3	76%	0.763	78%	0.778	S	S	*	*			trans	-92.2	152.3	159.9	0	0	0	0	0	111.5
187	V	32.2	Very low	33.9	Very low	125 Å²	125	135.3 Å²	135.3	76%	0.758	78%	0.775	S	S	*	*			trans	-97	145.7	-175.2	-153.4	0	0	0	0	111.4
188	H	34.3	Very low	34.2	Very low	175 Å²	175	130.9 Å²	130.9	81%	0.81	77%	0.766	S	S	*	*			trans	139	112	141.1	-71.6	-66.4	0	0	0	116.8
189	S	33	Very low	34.4	Very low	107 Å²	107	133.5 Å²	133.5	75%	0.748	76%	0.764	S	S	*	*			trans	47.1	96.6	144.7	-73	0	0	0	0	124.3
190	S	35.3	Very low	34.2	Very low	99 Å²	99	134.7 Å²	134.7	69%	0.692	77%	0.772	S	S	*	*				53	112.8	108	66.3	0	0	0	0	124.1
191	Q	35.7	Very low	34.2	Very low	147 Å²	147	135.8 Å²	135.8	69%	0.687	77%	0.774	S	S	*	*				70.4	155.7	129.3	-64.9	-140.4	36.2	0	0	120.4
192	Q	34.5	Very low	34	Very low	165 Å²	165	138.4 Å²	138.4	77%	0.771	78%	0.777	S	S	*	*			cis	-140.9	-167.1	27	-154	155.3	55.9	0	0	115
193	S	34.9	Very low	34.1	Very low	107 Å²	107	138 Å²	138	75%	0.748	78%	0.775	S	S	*	*			trans	-126.2	172	-147.2	-88.8	0	0	0	0	117.8
194	P	45	Very low	34.4	Very low	118 Å²	118	136.4 Å²	136.4	77%	0.766	77%	0.774	S	S	*	*			trans	-115.8	-168.7	-160.4	44.9	-36.7	0	0	0	115.9
195	R	34.9	Very low	34.4	Very low	249 Å²	249	136.7 Å²	136.7	94%	0.94	77%	0.773	S	S	*	*			trans	-144.9	161.7	158.2	-95.7	179	-173.9	-116.6	-0.5	112.8
196	L	35.7	Very low	34.5	Very low	165 Å²	165	135.5 Å²	135.5	86%	0.864	76%	0.762	S	S	*	*			trans	-118.8	167.8	-177.5	-77.5	173.1	0	0	0	109
197	P	35.4	Very low	34.4	Very low	117 Å²	117	140 Å²	140	76%	0.76	76%	0.764	S	S	*	*				-156.9	164.1	57.1	42.9	-20.1	0	0	0	121.8
198	V	33.1	Very low	34.4	Very low	120 Å²	120	137.6 Å²	137.6	73%	0.727	76%	0.764	S	S	*	*			trans	36	124.6	137.5	-177.7	0	0	0	0	121.7
199	H	38	Very low	34.4	Very low	181 Å²	181	137.1 Å²	137.1	84%	0.838	77%	0.767	S	S	*	*				-167.8	164.1	119.2	-113	-82.7	0	0	0	114
200	S	31.4	Very low	34.2	Very low	102 Å²	102	140.2 Å²	140.2	71%	0.713	77%	0.77	S	S	*	*			trans	-77.6	-174.8	-178.8	-50.3	0	0	0	0	113
201	V	33.3	Very low	34.2	Very low	126 Å²	126	145.5 Å²	145.5	76%	0.764	78%	0.781	S	S	*	*			cis	-161.6	168.9	37.2	-159.7	0	0	0	0	111.5
202	Q	31.8	Very low	33.9	Very low	163 Å²	163	149.7 Å²	149.7	76%	0.762	79%	0.79	S	S	*	*			trans	99.5	125.2	141.9	-144.7	71.8	47.7	0	0	121
203	T	32.9	Very low	34.4	Very low	119 Å²	119	147.1 Å²	147.1	73%	0.73	79%	0.788	S	S	*	*			trans	-121.9	149.7	159.5	52.2	0	0	0	0	109.5
204	P	37.4	Very low	34.6	Very low	112 Å²	112	148 Å²	148	73%	0.727	79%	0.791	S	S	*	*				-139.2	159.7	107.6	18.8	4.1	0	0	0	112
205	V	29.9	Very low	34	Very low	121 Å²	121	148.3 Å²	148.3	73%	0.733	80%	0.796	S	S	*	*			cis	71.1	98.2	47.1	-177.8	0	0	0	0	114.3
206	H	32.2	Very low	33.8	Very low	153 Å²	153	140 Å²	140	71%	0.708	79%	0.787	S	S	*	*				178.4	154.9	112.5	-123.3	20.5	0	0	0	115.9
207	Q	30.6	Very low	33.5	Very low	169 Å²	169	141.2 Å²	141.2	79%	0.79	79%	0.789	S	S	*	*			trans	37.7	140	150.7	-64	179.7	23.4	0	0	123.2
208	G	32.8	Very low	33.1	Very low	74 Å²	74	140.1 Å²	140.1	76%	0.763	78%	0.784	S	S	*	*			trans	179.7	66.2	171.9	0	0	0	0	0	117.4
209	N	34.2	Very low	33.2	Very low	165 Å²	165	143 Å²	143	88%	0.882	79%	0.789	S	S	*	*			trans	51	100.3	162.5	-71.8	-17.1	0	0	0	121.3
210	Q	29.7	Very low	32.7	Very low	173 Å²	173	142.8 Å²	142.8	81%	0.808	79%	0.786	S	S	*	*			trans	-37.1	142.3	138.2	-67.8	-112.3	26.1	0	0	114.6
211	K	34.6	Very low	32.9	Very low	210 Å²	210	145.6 Å²	145.6	91%	0.913	79%	0.788	S	S	*	*			trans	-157.1	141.3	132	-117.5	172.1	-176.3	178.8	0	112.4
212	R	29.4	Very low	32.8	Very low	235 Å²	235	145.3 Å²	145.3	89%	0.887	79%	0.791	S	S	*	*			trans	-100.5	176.7	-177.9	-112.6	-163.5	176.1	-153.6	0.8	111.1
213	P	44.7	Very low	33.2	Very low	110 Å²	110	141.4 Å²	141.4	71%	0.714	80%	0.795	S	S	*	*			trans	-90.6	173.6	-154.3	38.5	-40.4	0	0	0	114.6
214	P	38.8	Very low	33.4	Very low	126 Å²	126	144.7 Å²	144.7	82%	0.818	80%	0.802	S	S	*	*			trans	-106.3	135.9	153.6	35.6	-26	0	0	0	112.4
215	S	33.9	Very low	33.9	Very low	124 Å²	124	144.1 Å²	144.1	87%	0.867	80%	0.798	S	S	*	*			trans	-90.2	131.6	157.9	51.7	0	0	0	0	109.3
216	G	29.6	Very low	34.3	Very low	74 Å²	74	145.5 Å²	145.5	76%	0.763	80%	0.8	S	S	*	*			trans	-173.5	100.3	-179.1	0	0	0	0	0	116.5
217	Q	29.4	Very low	34.6	Very low	192 Å²	192	145.1 Å²	145.1	90%	0.897	80%	0.798	S	S	*	*			trans	20.5	134.6	146.2	-58.7	-178.4	-0	0	0	122.3
218	S	28.2	Very low	35.1	Very low	93 Å²	93	144.9 Å²	144.9	65%	0.65	80%	0.799	S	S	*	*			trans	64.9	118.4	134.6	-160.7	0	0	0	0	120.6
219	Q	35.4	Very low	35.3	Very low	181 Å²	181	144.9 Å²	144.9	85%	0.846	80%	0.799	S	S	*	*				-156.6	169.6	101.9	-106.2	-176.9	28	0	0	112.8
220	F	27.4	Very low	35.5	Very low	177 Å²	177	142.5 Å²	142.5	78%	0.776	80%	0.795	S	S	*	*			trans	-100.3	-164.9	-168.8	-88.4	-106.9	0	0	0	112.8
221	H	35.2	Very low	35.9	Very low	161 Å²	161	140.2 Å²	140.2	75%	0.745	79%	0.793	S	S	*	*			trans	86.5	105.3	175.1	-42.2	100.8	0	0	0	113.8
222	S	30.8	Very low	36.2	Very low	119 Å²	119	136.2 Å²	136.2	83%	0.832	79%	0.787	S	S	*	*			cis	85.4	113.3	32.8	88.1	0	0	0	0	114.8
223	G	39.5	Very low	36.7	Very low	82 Å²	82	131.2 Å²	131.2	85%	0.845	79%	0.785	S	S	*	*			trans	-172.3	71	-178.4	0	0	0	0	0	113.8
224	H	38	Very low	36.2	Very low	188 Å²	188	128.9 Å²	128.9	87%	0.87	78%	0.78	S	S	*	*			trans	-80	178.4	164.8	-103.9	-45.3	0	0	0	110
225	P	47.8	Very low	36	Very low	100 Å²	100	129.4 Å²	129.4	65%	0.649	78%	0.781	S	S	*	*			cis	-146.7	-157.9	27.5	36	-10	0	0	0	116.1
226	I	39.3	Very low	36	Very low	149 Å²	149	134.6 Å²	134.6	76%	0.764	78%	0.782	S	S	*	*			trans	79.7	132.1	157.8	-67.9	165.8	0	0	0	117.7
227	Q	37.6	Very low	36.4	Very low	146 Å²	146	136.4 Å²	136.4	68%	0.682	78%	0.78	S	S	*	*			cis	-167.7	154.2	-24.6	-153.1	-179.7	1.9	0	0	110
228	M	40.9	Very low	36.6	Very low	164 Å²	164	131.1 Å²	131.1	81%	0.808	77%	0.77	S	S	*	*			trans	57.8	128.1	171.4	-48.8	-50	-157	0	0	116.9
229	G	38	Very low	36.8	Very low	73 Å²	73	132.3 Å²	132.3	75%	0.753	78%	0.778	S	S	*	*			cis	106.9	134.1	15.9	0	0	0	0	0	110.1
230	S	38.7	Very low	36.6	Very low	116 Å²	116	127.9 Å²	127.9	81%	0.811	77%	0.772	S	S	*	*			cis	-162.7	180	3.2	57.4	0	0	0	0	108.3
231	T	38	Very low	37	Very low	124 Å²	124	124.5 Å²	124.5	76%	0.761	77%	0.77	S	S	*	*			cis	-142.9	171.7	19.8	58.4	0	0	0	0	112.5
232	T	40.2	Very low	36.9	Very low	127 Å²	127	125.4 Å²	125.4	78%	0.779	78%	0.775	S	S	*	*			trans	-160.4	157.8	154.3	-27	0	0	0	0	106.2
233	P	40	Very low	37	Very low	130 Å²	130	124 Å²	124	84%	0.844	77%	0.77	S	S	*	*				-143.6	179.7	89	24.4	-0.9	0	0	0	112.3
234	G	34.4	Very low	36.8	Very low	60 Å²	60	127 Å²	127	62%	0.619	77%	0.766	S	S	*	*			cis	148.6	110.4	-6.2	0	0	0	0	0	113.2
235	T	34	Very low	36.7	Very low	137 Å²	137	124.2 Å²	124.2	84%	0.84	76%	0.756	S	S	*	*			trans	34.9	118.7	131.8	-46.1	0	0	0	0	120.5
236	R	33.1	Very low	36.4	Very low	233 Å²	233	126.1 Å²	126.1	88%	0.879	76%	0.756	S	S	*	*			trans	-158.8	119	142.5	-159.1	175.9	-178.8	-150.8	-1.7	114.8
237	P	39	Very low	36.4	Very low	112 Å²	112	126.2 Å²	126.2	73%	0.727	75%	0.753	S	S	*	*			trans	-115.3	133.1	157.2	34.9	-25	0	0	0	111.7
238	A	34.1	Very low	36.4	Very low	82 Å²	82	130.3 Å²	130.3	68%	0.678	76%	0.762	S	S	*	*			trans	-165.5	119.5	165.8	0	0	0	0	0	114.3
239	S	31.4	Very low	36.4	Very low	118 Å²	118	126.1 Å²	126.1	83%	0.825	76%	0.761	S	S	*	*			trans	36.6	130	133.1	-141.7	0	0	0	0	123.9
240	A	32.5	Very low	36.3	Very low	87 Å²	87	127.2 Å²	127.2	72%	0.719	76%	0.757	S	S	*	*			trans	84.8	150.8	133.5	0	0	0	0	0	123.4
241	S	34.7	Very low	36.4	Very low	106 Å²	106	130 Å²	130	74%	0.741	76%	0.757	S	S	*	*			trans	94.6	102.6	153.1	-64.1	0	0	0	0	121.7
242	Q	33.3	Very low	36.7	Very low	180 Å²	180	130.4 Å²	130.4	84%	0.841	76%	0.762	S	S	*	*				79.3	94.4	128.1	-61.4	-173.5	17.3	0	0	122.1
243	A	32.6	Very low	36.5	Very low	89 Å²	89	128 Å²	128	74%	0.736	76%	0.763	S	S	*	*				88.5	160.6	100.9	0	0	0	0	0	122.7
244	I	36.6	Very low	36.2	Very low	146 Å²	146	127.3 Å²	127.3	75%	0.749	76%	0.76	S	S	*	*			trans	110.6	92.6	154.8	-63.2	167.2	0	0	0	118.5
245	L	35.7	Very low	36.1	Very low	130 Å²	130	129.5 Å²	129.5	68%	0.681	77%	0.767	S	S	*	*			trans	47.7	165.5	138.7	-64.5	114.2	0	0	0	121
246	H	40.7	Very low	36.1	Very low	140 Å²	140	126.2 Å²	126.2	65%	0.648	76%	0.76	S	S	*	*			cis	-142.3	144.9	13	-89.2	-88.3	0	0	0	113.3
247	H	40.3	Very low	36	Very low	150 Å²	150	125.4 Å²	125.4	69%	0.694	76%	0.763	S	S	*	*			trans	56	156.4	141.4	-61.3	-30.3	0	0	0	122
248	R	37.6	Very low	35.7	Very low	233 Å²	233	123 Å²	123	88%	0.879	76%	0.759	S	S	*	*			cis	-149.8	136.9	-5	-123.1	170	-178.3	-169.6	0.3	105
249	G	39.3	Very low	35.5	Very low	76 Å²	76	124.9 Å²	124.9	78%	0.784	76%	0.762	S	S	*	*				106.3	151.5	69.3	0	0	0	0	0	109.5
250	S	35.7	Very low	35.7	Very low	95 Å²	95	127.1 Å²	127.1	66%	0.664	76%	0.761	S	S	*	*			cis	-170.5	175.7	-1.4	178.7	0	0	0	0	110.4
251	H	41.6	Very low	35.5	Very low	175 Å²	175	127.2 Å²	127.2	81%	0.81	76%	0.757	S	S	*	*			trans	86.8	104.6	163.1	-53	-70.9	0	0	0	121.3
252	P	43.5	Very low	35.5	Very low	133 Å²	133	127.4 Å²	127.4	86%	0.864	76%	0.758	S	S	*	*			trans	-103	171.7	156.8	39.1	-31.7	0	0	0	112.7
253	G	37	Very low	35.4	Very low	77 Å²	77	126.4 Å²	126.4	79%	0.794	75%	0.753	S	S	*	*			trans	-174.5	104.1	174.6	0	0	0	0	0	119.7
254	S	33	Very low	35.6	Very low	114 Å²	114	129.5 Å²	129.5	80%	0.797	76%	0.756	S	S	*	*			trans	57.6	118.8	130.6	-141.4	0	0	0	0	125.3
255	S	32.1	Very low	35.3	Very low	107 Å²	107	129.9 Å²	129.9	75%	0.748	76%	0.759	S	S	*	*				60.9	137	124.8	67.6	0	0	0	0	124.9
256	G	35	Very low	35.5	Very low	68 Å²	68	128.8 Å²	128.8	70%	0.701	76%	0.76	S	S	*	*			trans	148	87.1	156.4	0	0	0	0	0	113.6
257	F	30	Very low	35.2	Very low	216 Å²	216	127.5 Å²	127.5	95%	0.947	77%	0.767	S	S	*	*				69.8	134.9	85.2	-88.5	-79.1	0	0	0	117.2
258	G	33.3	Very low	34.7	Very low	62 Å²	62	128.7 Å²	128.7	64%	0.639	77%	0.773	S	S	*	*			trans	108.3	79.5	169.8	0	0	0	0	0	115.4
259	T	30.5	Very low	34.7	Very low	120 Å²	120	122.9 Å²	122.9	74%	0.736	77%	0.765	S	S	*	*				64.8	144.4	61.2	69.1	0	0	0	0	117.2
260	M	33.9	Very low	34.3	Very low	165 Å²	165	127.1 Å²	127.1	81%	0.813	77%	0.768	S	S	*	*			trans	78.1	110.8	-176.9	-52	-61.4	103.5	0	0	113.5
261	S	29.7	Very low	33.9	Very low	90 Å²	90	128.7 Å²	128.7	63%	0.629	77%	0.774	S	S	*	*			cis	78.6	104.2	30.2	-164.7	0	0	0	0	115.8
262	S	34.2	Very low	33.3	Very low	109 Å²	109	126 Å²	126	76%	0.762	78%	0.775	S	S	*	*			trans	-165.9	98.9	144.9	37	0	0	0	0	114.7
263	H	32	Very low	32.6	Very low	159 Å²	159	127.8 Å²	127.8	74%	0.736	77%	0.771	S	S	*	*				52.7	145.9	122.2	-59.9	-64	0	0	0	125
264	I	35.3	Very low	32.5	Very low	154 Å²	154	132.2 Å²	132.2	79%	0.79	78%	0.776	S	S	*	*			trans	85.1	88.2	156.8	-62	141.3	0	0	0	116
265	N	30.8	Very low	32.2	Very low	155 Å²	155	132.7 Å²	132.7	83%	0.829	77%	0.769	S	S	*	*				73.7	147.8	80.7	-91.1	-7.4	0	0	0	116.9
266	P	40.5	Very low	32.3	Very low	107 Å²	107	135 Å²	135	70%	0.695	77%	0.768	S	S	*	*			trans	-108	-179.7	-165.3	42.7	-35.6	0	0	0	113.5
267	S	34.9	Very low	32.1	Very low	113 Å²	113	136.9 Å²	136.9	79%	0.79	77%	0.77	S	S	*	*			trans	-163	121.3	142.2	-87.5	0	0	0	0	114.8
268	Q	29.9	Very low	32.3	Very low	175 Å²	175	133 Å²	133	82%	0.818	76%	0.758	S	S	*	*			trans	52.2	144.8	134.1	-57.8	-60.6	-18.2	0	0	122.5
269	P	36.1	Very low	32.6	Very low	110 Å²	110	137.9 Å²	137.9	71%	0.714	77%	0.765	S	S	*	*			trans	-93.7	146.2	174.9	37.3	-31.9	0	0	0	112.7
270	I	31.6	Very low	32.6	Very low	166 Å²	166	139.9 Å²	139.9	85%	0.851	77%	0.771	S	S	*	*			trans	-133.7	138.5	162.9	-63.9	-176.1	0	0	0	109.7
271	T	26.8	Very low	32.7	Very low	128 Å²	128	135.6 Å²	135.6	79%	0.785	76%	0.762	S	S	*	*			trans	-85.4	140	177.3	53.5	0	0	0	0	112.1
272	S	28.9	Very low	33.1	Very low	119 Å²	119	139 Å²	139	83%	0.832	77%	0.768	S	S	*	*			trans	-174.4	156.4	135.8	45.2	0	0	0	0	114.1
273	H	29	Very low	33.1	Very low	169 Å²	169	141 Å²	141	78%	0.782	76%	0.764	S	S	*	*			trans	-43.5	145.3	154.6	-86.1	-115.3	0	0	0	112.8
274	L	34.3	Very low	33.3	Very low	171 Å²	171	142.1 Å²	142.1	90%	0.895	77%	0.77	S	S	*	*				-161.3	172.7	98.2	-102.9	167.1	0	0	0	111.9
275	D	28.3	Very low	33.1	Very low	123 Å²	123	140.9 Å²	140.9	66%	0.658	77%	0.77	S	S	*	*			trans	-120.7	176.4	-161.9	-155.5	-30	0	0	0	110.9
276	H	34.1	Very low	33	Very low	156 Å²	156	145 Å²	145	72%	0.722	77%	0.773	S	S	*	*			trans	82.7	114	155.6	-67.1	2.4	0	0	0	120.5
277	S	29.8	Very low	32.8	Very low	107 Å²	107	144.3 Å²	144.3	75%	0.748	78%	0.777	S	S	*	*			trans	80.1	150	133.1	-134.4	0	0	0	0	116
278	L	34.2	Very low	32.6	Very low	134 Å²	134	144.3 Å²	144.3	70%	0.702	78%	0.777	S	S	*	*			cis	-155.1	166.4	49.2	-90.8	168.8	0	0	0	116
279	H	38.7	Very low	33	Very low	166 Å²	166	142 Å²	142	77%	0.769	78%	0.777	S	S	*	*			trans	72.6	93.3	152.8	-68	127.3	0	0	0	122.2
280	N	31.6	Very low	32.7	Very low	161 Å²	161	141.7 Å²	141.7	86%	0.861	78%	0.778	S	S	*	*			trans	-53.6	178.9	149.5	-176.7	24.7	0	0	0	115.1
281	A	35.4	Very low	32.8	Very low	76 Å²	76	141.5 Å²	141.5	63%	0.628	78%	0.777	S	S	*	*			trans	89.9	147.9	169.3	0	0	0	0	0	116.5
282	H	38.4	Very low	33	Very low	162 Å²	162	139.1 Å²	139.1	75%	0.75	77%	0.766	S	S	*	*			cis	-148.6	173.4	4.8	-148.1	61.3	0	0	0	114.1
283	H	34.4	Very low	33.3	Very low	150 Å²	150	139.7 Å²	139.7	69%	0.694	77%	0.767	S	S	*	*			trans	-60.9	142	-179	-59.6	-110.9	0	0	0	115.3
284	Q	36	Very low	33.5	Very low	182 Å²	182	136.8 Å²	136.8	85%	0.85	77%	0.766	S	S	*	*				179.5	162.6	103	-103.3	163	98.3	0	0	116.1
285	T	30.6	Very low	33.8	Very low	128 Å²	128	134.4 Å²	134.4	79%	0.785	76%	0.76	S	S	*	*			trans	-48.7	144.2	170.9	39.7	0	0	0	0	116.2
286	R	29.5	Very low	33.9	Very low	241 Å²	241	132 Å²	132	91%	0.909	76%	0.764	S	S	*	*				165.1	140.8	110.8	-179.6	171.2	-177.5	-171.3	1.3	113.9
287	A	35.3	Very low	34.1	Very low	93 Å²	93	131.9 Å²	131.9	77%	0.769	77%	0.769	S	S	*	*			trans	64.6	146.1	161	0	0	0	0	0	120.8
288	S	30.7	Very low	34.3	Very low	113 Å²	113	134.6 Å²	134.6	79%	0.79	78%	0.776	S	S	*	*			trans	-80.3	164.9	163.8	-44.7	0	0	0	0	110.7
289	P	38.1	Very low	34.5	Very low	126 Å²	126	134.2 Å²	134.2	82%	0.818	77%	0.773	S	S	*	*				-141.7	167.7	89.2	39.1	-25.9	0	0	0	115
290	S	30.9	Very low	34.3	Very low	105 Å²	105	135.2 Å²	135.2	73%	0.734	77%	0.771	S	S	*	*			trans	-76.4	150.8	164.9	54.2	0	0	0	0	112.1
291	L	33.1	Very low	34.6	Very low	161 Å²	161	134.2 Å²	134.2	84%	0.843	76%	0.761	S	S	*	*			trans	-169.2	138.6	141	-107.6	162.7	0	0	0	113.8
292	S	32.6	Very low	34.5	Very low	79 Å²	79	135.9 Å²	135.9	55%	0.552	76%	0.76	S	S	*	*			trans	27	135.8	152.4	60.4	0	0	0	0	122.9
293	P	33.5	Very low	34.4	Very low	131 Å²	131	138.5 Å²	138.5	85%	0.851	76%	0.763	S	S	*	*			trans	-70.1	147.4	152.5	33.5	-32.9	0	0	0	110.6
294	S	34.5	Very low	34.5	Very low	107 Å²	107	141.7 Å²	141.7	75%	0.748	77%	0.769	S	S	*	*			trans	-154.5	162.5	-179.6	-93.2	0	0	0	0	112.4
295	P	40.1	Very low	34.6	Very low	121 Å²	121	137 Å²	137	79%	0.786	76%	0.756	S	S	*	*			trans	-122.8	157.4	-137.3	40.8	-31.3	0	0	0	117.2
296	G	31.5	Very low	34.8	Very low	72 Å²	72	139 Å²	139	74%	0.742	76%	0.757	S	S	*	*			trans	81.8	150.2	144.1	0	0	0	0	0	117.9
297	N	38.2	Very low	35.2	Very low	155 Å²	155	135.7 Å²	135.7	83%	0.829	76%	0.756	S	S	*	*			trans	-156.9	131.4	156.2	-122.2	-25.7	0	0	0	109.3
298	N	33.3	Very low	35.3	Very low	164 Å²	164	135.6 Å²	135.6	88%	0.877	76%	0.755	S	S	*	*			trans	-156.1	121.1	-175.7	-136.7	-10.4	0	0	0	109.4
299	I	37.7	Very low	36.1	Very low	125 Å²	125	135.9 Å²	135.9	64%	0.641	75%	0.754	S	S	*	*			trans	-164.2	133.6	-160.8	-110.4	161.2	0	0	0	107
300	Y	35.5	Very low	36.4	Very low	187 Å²	187	136.2 Å²	136.2	73%	0.733	76%	0.757	S	S	*	*			cis	-139.3	152.4	5.9	-109.5	-75.9	0	0	0	112.6
301	Q	36.6	Very low	36.7	Very low	141 Å²	141	136.3 Å²	136.3	66%	0.659	76%	0.757	S	S	*	*			trans	-1.1	147	155.1	-62	176	30	0	0	121.1
302	N	34.4	Very low	37.1	Very low	110 Å²	110	134.2 Å²	134.2	59%	0.588	75%	0.751	S	S	*	*				-166.6	146	66.8	-109.8	-67.8	0	0	0	115.7
303	R	36.7	Very low	37.6	Very low	217 Å²	217	138.6 Å²	138.6	82%	0.819	76%	0.763	S	S	*	*			trans	42.8	149.4	141.8	-67.5	175.6	-149.6	-144.5	1.8	122.6
304	R	35.8	Very low	38.1	Very low	218 Å²	218	137.2 Å²	137.2	82%	0.823	75%	0.754	S	S	*	*			cis	-173.9	132	-13.6	171.6	171.7	-174.4	-119.9	4.3	112.6
305	S	37.2	Very low	38.2	Very low	84 Å²	84	138.4 Å²	138.4	59%	0.587	75%	0.752	S	S	*	*			trans	68.7	130.2	148.4	-69	0	0	0	0	125
306	Q	35.6	Very low	37.9	Very low	169 Å²	169	141.4 Å²	141.4	79%	0.79	75%	0.752	S	S	*	*			trans	57.9	138.9	134.6	-46.1	-72.1	34.2	0	0	119
307	L	37.1	Very low	38	Very low	172 Å²	172	149.3 Å²	149.3	90%	0.901	76%	0.76	S	S	*	*			cis	-151.7	-175.2	48.8	-94.3	167	0	0	0	113.6
308	A	38.6	Very low	37.9	Very low	91 Å²	91	148 Å²	148	75%	0.752	76%	0.76	S	S	*	*			trans	-100.8	167.5	-164.2	0	0	0	0	0	116.8
309	P	46.9	Very low	37.8	Very low	118 Å²	118	151.4 Å²	151.4	77%	0.766	76%	0.76	S	S	*	*			trans	-108	167.3	-177.2	41	-34.6	0	0	0	115.6
310	P	45.6	Very low	37.6	Very low	134 Å²	134	153.5 Å²	153.5	87%	0.87	77%	0.771	S	S	*	*			trans	-101	177.5	165.4	37.9	-31.5	0	0	0	114
311	S	35.4	Very low	37.3	Very low	106 Å²	106	148.9 Å²	148.9	74%	0.741	77%	0.766	S	S	*	*			trans	-132.7	-169.4	-162.3	-170.8	0	0	0	0	114.2
312	T	42	Very low	37	Very low	117 Å²	117	150.6 Å²	150.6	72%	0.718	78%	0.779	S	S	*	*			trans	80.3	144.6	172.4	77.3	0	0	0	0	117
313	H	44.6	Very low	36.7	Very low	171 Å²	171	149 Å²	149	79%	0.792	79%	0.789	S	S	*	*			cis	-156.8	177.2	-23.8	-109.4	-32.7	0	0	0	110
314	P	42.2	Very low	36.3	Very low	102 Å²	102	143.7 Å²	143.7	66%	0.662	79%	0.785	S	S	*	*			trans	-117.6	168.3	-146.7	42.9	-34.9	0	0	0	117
315	N	36.6	Very low	35.9	Very low	132 Å²	132	141.7 Å²	141.7	71%	0.706	79%	0.785	S	S	*	*			trans	-157.2	117.9	145.6	-112.9	-58.4	0	0	0	115.9
316	K	35.1	Very low	35.6	Very low	185 Å²	185	146.2 Å²	146.2	80%	0.804	80%	0.801	S	S	*	*			trans	40.7	91.3	141.8	-60.8	169.8	-166.4	163.7	0	120.2
317	R	34.1	Very low	35.4	Very low	238 Å²	238	142.6 Å²	142.6	90%	0.898	79%	0.792	S	S	*	*				-163.9	128.2	127	-111.2	176.3	-172.5	-139	2.9	111.3	R319	R317-R319 PolarHBondContact O-N 3.2Å
318	P	34.7	Very low	35.1	Very low	127 Å²	127	142.5 Å²	142.5	83%	0.825	79%	0.787	S	S	*	*			trans	-76.8	96.6	-179.3	30.5	-33.8	0	0	0	111.1
319	R	30.9	Very low	34.6	Very low	236 Å²	236	143.1 Å²	143.1	89%	0.891	79%	0.786	S	S	*	*			trans	-99.2	84.2	168.7	-165.2	179.8	-160.9	162.1	3.3	108	R317 S321	R317-R319 PolarHBondContact O-N 3.2Å; R319-S321 PolarHBondContact O-N 3.04Å
320	I	33.4	Very low	33.7	Very low	168 Å²	168	145.4 Å²	145.4	86%	0.862	79%	0.79	S	S	*	*			trans	-61.7	113.7	177.4	-59.9	177.5	0	0	0	107.8
321	S	30.2	Very low	32.9	Very low	91 Å²	91	144.3 Å²	144.3	64%	0.636	79%	0.786	S	S	*	*			trans	-100.1	129.6	179.9	-170.6	0	0	0	0	109.9	R319 G323	R319-S321 PolarHBondContact O-N 3.04Å; S321-G323 PolarHBondContact O-N 3.39Å
322	L	30	Very low	32.6	Very low	176 Å²	176	142.4 Å²	142.4	92%	0.921	77%	0.773	S	S	*	*	S	Bend	trans	15.3	96.4	147.8	-61.4	163.9	0	0	0	115.4
323	G	28	Very low	32.1	Very low	78 Å²	78	142.4 Å²	142.4	80%	0.804	77%	0.768	S	S	*	*			trans	179.8	53.1	-175.8	0	0	0	0	0	115.2	S321	S321-G323 PolarHBondContact O-N 3.39Å
324	S	28.6	Very low	31.5	Very low	105 Å²	105	137.5 Å²	137.5	73%	0.734	75%	0.751	S	S	*	*			trans	-144.5	113.4	173.2	57	0	0	0	0	108.7
325	Q	28.4	Very low	31	Very low	176 Å²	176	137.3 Å²	137.3	82%	0.822	75%	0.752	S	S	*	*				63.4	125.4	86.3	-68.7	-76	20.1	0	0	112.4	P327	Q325-P327 WeakPolarHBondContact O-CD 3.27Å
326	L	29.3	Very low	30.6	Very low	178 Å²	178	136 Å²	136	93%	0.932	76%	0.759	S	S	*	*			trans	-114.9	93.5	177.6	-102.6	161.8	0	0	0	109.5
327	P	31.2	Very low	30.4	Very low	93 Å²	93	134.5 Å²	134.5	60%	0.604	76%	0.755	S	S	*	*			trans	-111.7	128.3	178.7	34.7	-22.6	0	0	0	113.3	Q325	Q325-P327 WeakPolarHBondContact O-CD 3.27Å
328	H	30.5	Very low	30.1	Very low	170 Å²	170	129.6 Å²	129.6	79%	0.787	75%	0.751	S	S	*	*			trans	47.4	107.5	130.9	-50.2	-53.6	0	0	0	121.3
329	S	28.3	Very low	30	Very low	105 Å²	105	128.1 Å²	128.1	73%	0.734	74%	0.739	S	S	*	*				83.2	141.3	112.3	-51.3	0	0	0	0	122.8
330	I	29.1	Very low	30.1	Very low	165 Å²	165	123.2 Å²	123.2	85%	0.846	73%	0.731	S	S	*	*			trans	55.7	121	159.5	35.1	170.1	0	0	0	123.7
331	S	28.3	Very low	30.4	Very low	111 Å²	111	121.2 Å²	121.2	78%	0.776	73%	0.727	S	S	*	*			trans	65.7	121.9	132.4	-145.3	0	0	0	0	119.2
332	S	29.6	Very low	31.2	Very low	67 Å²	67	119.9 Å²	119.9	47%	0.469	71%	0.712	S	S	.	*				177.7	154	61.5	37.6	0	0	0	0	114	T812	S332-T812 PolarHBondContact O-OG1 3.18Å; S332-T812 WeakPolarHBondContact OG-CG2 3.46Å
333	L	31.7	Very low	32.2	Very low	117 Å²	117	113.5 Å²	113.5	61%	0.613	68%	0.684	S	S	*	*			trans	74.3	154.7	157.1	-78.6	162.3	0	0	0	117.7	T812 V823	L333-T812 HydrophobicContact CB-CG2 3.94Å; L333-T812 WeakPolarHBondContact CB-OG1 3.41Å; L333-T812 HydrophobicContact CD1-CG2 3.67Å; L333-T812 HydrophobicContact CG-CG2 4.34Å; L333-V823 HydrophobicContact CB-CG1 4.5Å; L333-V823 HydrophobicContact CB-CG2 4.06Å; L333-V823 HydrophobicContact CD1-CG2 3.91Å; L333-V823 HydrophobicContact CD2-CB 4.43Å; L333-V823 HydrophobicContact CD2-CG2 3.88Å; L333-V823 HydrophobicContact CG-CG2 4.14Å
334	P	31	Very low	33.4	Very low	68 Å²	68	114.3 Å²	114.3	44%	0.442	68%	0.676	S	S	.	*				-130	172.5	-113.2	42.5	-28.3	0	0	0	115.4	V823 I827	P334-V823 VanDerWaalsContact CD-CB 3.47Å; P334-V823 VanDerWaalsContact CD-CG1 3.42Å; P334-V823 HydrophobicContact CG-CB 4.31Å; P334-I827 WeakPolarHBondContact O-CD1 3.38Å
335	S	32.2	Very low	34.8	Very low	98 Å²	98	112.5 Å²	112.5	69%	0.685	67%	0.667	S	S	*	*			trans	-142.9	140	163.5	-174.4	0	0	0	0	109.5	H337	S335-H337 PolarHBondContact O-N 3.48Å; S335-H337 VanDerWaalsContact O-N 3.07Å
336	A	27.3	Very low	36	Very low	103 Å²	103	109.3 Å²	109.3	85%	0.851	65%	0.652	S	S	*	*			trans	-71.1	102.9	-176.4	0	0	0	0	0	111.5
337	H	31.4	Very low	37.1	Very low	155 Å²	155	103.5 Å²	103.5	72%	0.718	62%	0.621	S	S	*	*			trans	-101.8	121.8	159.8	-90.1	-91.2	0	0	0	108.8	S335 T339	S335-H337 PolarHBondContact O-N 3.48Å; S335-H337 VanDerWaalsContact O-N 3.07Å; H337-T339 HydrophobicContact CB-CG2 4.37Å; H337-T339 PolarHBondContact O-N 3.08Å
338	V	28.7	Very low	38.4	Very low	135 Å²	135	102.8 Å²	102.8	82%	0.818	61%	0.609	S	S	*	*			trans	-78.8	75.7	166	-176	0	0	0	0	107.8
339	T	31.7	Very low	40	Very low	95 Å²	95	97.7 Å²	97.7	58%	0.583	60%	0.597	S	S	*	*			trans	-82.6	107.2	164.6	43.2	0	0	0	0	108.2	H337 T341	H337-T339 HydrophobicContact CB-CG2 4.37Å; H337-T339 PolarHBondContact O-N 3.08Å; T339-T341 PolarHBondContact O-N 3.34Å
340	N	34.2	Very low	41.4	Very low	134 Å²	134	97 Å²	97	72%	0.717	58%	0.584	S	S	*	*			trans	-70.8	74	167.4	-79.7	7.6	0	0	0	109.7	I342	N340-I342 HydrophobicContact CB-CG1 4.33Å; N340-I342 PolarHBondContact O-N 3.22Å
341	T	37.9	Very low	43.1	Very low	126 Å²	126	91.1 Å²	91.1	77%	0.773	55%	0.554	S	S	*	*			trans	-71.1	74.4	160.8	38.9	0	0	0	0	108.8	T339 A343	T339-T341 PolarHBondContact O-N 3.34Å; T341-A343 PolarHBondContact O-N 3.13Å
342	I	47.5	Very low	44.9	Very low	63 Å²	63	86.6 Å²	86.6	32%	0.323	53%	0.526	S	S	.	.			trans	-54	122	167.3	-67.1	172.1	0	0	0	107	N340 E346 M347 L350	N340-I342 HydrophobicContact CB-CG1 4.33Å; N340-I342 PolarHBondContact O-N 3.22Å; I342-E346 WeakPolarHBondContact CA-OE2 3.5Å; I342-E346 HydrophobicContact CG2-CB 3.5Å; I342-E346 VanDerWaalsContact CG2-CB 3.5Å; I342-M347 HydrophobicContact CG2-CB 3.98Å; I342-L350 HydrophobicContact CD1-CD1 3.9Å; I342-L350 HydrophobicContact CG2-CD1 4.14Å
343	A	51.8	Low	46.4	Very low	41 Å²	41	86.1 Å²	86.1	34%	0.339	52%	0.522	S	S	.	.			trans	-61.3	152.6	-180	0	0	0	0	0	110.2	T341 A345 E346 M347	T341-A343 PolarHBondContact O-N 3.13Å; A343-A345 PolarHBondContact O-N 3.38Å; A343-A345 VanDerWaalsContact O-N 3.12Å; A343-E346 HydrophobicContact CB-CB 4.46Å; A343-E346 HydrophobicContact CB-CG 4.11Å; A343-E346 PolarHBondContact N-OE2 2.99Å; A343-E346 CarbonylContact O-C 3.59Å; A343-E346 WeakPolarHBondContact O-CA 3.27Å; A343-E346 WeakPolarHBondContact O-CB 3.47Å; A343-E346 PolarHBondContact O-N 3.19Å; A343-M347 PolarHBondContact O-N 3Å
344	P	52.7	Low	48.1	Very low	96 Å²	96	85 Å²	85	62%	0.623	52%	0.52	S	S	*	.	H	α-helix	trans	-54.8	-36.3	-179.9	19.3	-31.3	0	0	0	112.7	M347 E348	P344-M347 PolarHBondContact O-N 3.15Å; P344-E348 WeakPolarHBondContact O-CG 3.27Å; P344-E348 PolarHBondContact O-N 3.44Å
345	A	57.9	Low	49.8	Very low	67 Å²	67	83.7 Å²	83.7	55%	0.554	51%	0.511	S	S	*	.	H	α-helix	trans	-67.1	-33.7	173.9	0	0	0	0	0	113.9	A343 A349	A343-A345 PolarHBondContact O-N 3.38Å; A343-A345 VanDerWaalsContact O-N 3.12Å; A345-A349 WeakPolarHBondContact O-CB 3.1Å; A345-A349 PolarHBondContact O-N 2.88Å
346	E	53.9	Low	51.4	Low	109 Å²	109	80.3 Å²	80.3	51%	0.509	49%	0.489	S	S	.	.	H	α-helix	trans	-74.1	-32.5	173.5	-64.3	175.9	138.1	0	0	111.2	I342 A343 A349 L350	I342-E346 WeakPolarHBondContact CA-OE2 3.5Å; I342-E346 HydrophobicContact CG2-CB 3.5Å; I342-E346 VanDerWaalsContact CG2-CB 3.5Å; A343-E346 HydrophobicContact CB-CB 4.46Å; A343-E346 HydrophobicContact CB-CG 4.11Å; A343-E346 PolarHBondContact N-OE2 2.99Å; A343-E346 CarbonylContact O-C 3.59Å; A343-E346 WeakPolarHBondContact O-CA 3.27Å; A343-E346 WeakPolarHBondContact O-CB 3.47Å; A343-E346 PolarHBondContact O-N 3.19Å; E346-A349 PolarHBondContact O-N 3.06Å; E346-L350 WeakPolarHBondContact O-CB 3.34Å; E346-L350 WeakPolarHBondContact O-CG 3.47Å; E346-L350 PolarHBondContact O-N 3.42Å
347	M	52	Low	53.3	Low	56 Å²	56	79.2 Å²	79.2	28%	0.276	48%	0.475	S	S	.	.	H	α-helix	trans	-71.1	-38.8	174.8	-164.1	176.4	-65.1	0	0	111.3	I342 A343 P344 L350 L351 Y393	I342-M347 HydrophobicContact CG2-CB 3.98Å; A343-M347 PolarHBondContact O-N 3Å; P344-M347 PolarHBondContact O-N 3.15Å; M347-L350 PolarHBondContact O-N 3.19Å; M347-L351 HydrophobicContact CG-CD1 4.33Å; M347-L351 WeakPolarHBondContact O-CB 3.39Å; M347-L351 WeakPolarHBondContact O-CG 3.32Å; M347-L351 PolarHBondContact O-N 3.33Å; M347-Y393 HydrophobicContact SD-CD1 4.15Å
348	E	59.7	Low	55	Low	77 Å²	77	79.6 Å²	79.6	36%	0.36	47%	0.474	S	S	.	.	H	α-helix	trans	-61.4	-42.7	167.5	-77.3	-178.6	170.9	0	0	111.9	P344 L351 G352 T390	P344-E348 WeakPolarHBondContact O-CG 3.27Å; P344-E348 PolarHBondContact O-N 3.44Å; E348-L351 PolarHBondContact O-N 3.08Å; E348-G352 WeakPolarHBondContact O-CA 3.48Å; E348-G352 PolarHBondContact O-N 3.09Å; E348-T390 WeakPolarHBondContact OE1-CB 3.36Å; E348-T390 WeakPolarHBondContact OE1-CG2 3.49Å; E348-T390 PolarHBondContact OE1-OG1 3.24Å
349	A	62.4	Low	56.8	Low	64 Å²	64	74.3 Å²	74.3	53%	0.529	45%	0.445	S	S	.	.	H	α-helix	trans	-63.2	-41	175.6	0	0	0	0	0	112.1	A345 E346 S353	A345-A349 WeakPolarHBondContact O-CB 3.1Å; A345-A349 PolarHBondContact O-N 2.88Å; E346-A349 PolarHBondContact O-N 3.06Å; A349-S353 WeakPolarHBondContact O-CB 3.35Å; A349-S353 PolarHBondContact O-N 3.5Å
350	L	59.3	Low	58.5	Low	90 Å²	90	73.5 Å²	73.5	47%	0.471	44%	0.435	S	S	.	.	H	α-helix	trans	-66.9	-48.5	175.2	-78.1	167.5	0	0	0	112.1	I342 E346 M347 G352 S353 V354	I342-L350 HydrophobicContact CD1-CD1 3.9Å; I342-L350 HydrophobicContact CG2-CD1 4.14Å; E346-L350 WeakPolarHBondContact O-CB 3.34Å; E346-L350 WeakPolarHBondContact O-CG 3.47Å; E346-L350 PolarHBondContact O-N 3.42Å; M347-L350 PolarHBondContact O-N 3.19Å; L350-G352 VanDerWaalsContact C-N 3.34Å; L350-G352 PolarHBondContact O-N 3.33Å; L350-S353 PolarHBondContact O-N 3.13Å; L350-S353 VanDerWaalsContact O-N 3.16Å; L350-S353 PolarHBondContact O-OG 3Å; L350-V354 WeakPolarHBondContact O-CG2 3.44Å; L350-V354 PolarHBondContact O-N 3.19Å
351	L	63.1	Low	60.1	Low	41 Å²	41	70 Å²	70	22%	0.215	43%	0.425	C	S	.	.	H	α-helix	trans	-58.8	-45.8	174.8	-78.2	165.3	0	0	0	111.3	M347 E348 S353 V354 V355 Y393	M347-L351 HydrophobicContact CG-CD1 4.33Å; M347-L351 WeakPolarHBondContact O-CB 3.39Å; M347-L351 WeakPolarHBondContact O-CG 3.32Å; M347-L351 PolarHBondContact O-N 3.33Å; E348-L351 PolarHBondContact O-N 3.08Å; L351-S353 VanDerWaalsContact C-N 3.34Å; L351-S353 PolarHBondContact O-N 3.4Å; L351-V354 PolarHBondContact O-N 3.44Å; L351-V355 WeakPolarHBondContact O-CG2 3.4Å; L351-V355 PolarHBondContact O-N 3.25Å; L351-Y393 HydrophobicContact CD1-CD2 4.35Å; L351-Y393 HydrophobicContact CD1-CE2 4.32Å
352	G	66.2	Low	61.5	Low	17 Å²	17	68 Å²	68	18%	0.175	42%	0.417	C	S	.	.	H	α-helix	trans	-56.6	-45.4	172.9	0	0	0	0	0	112	E348 L350 V354 A356	E348-G352 WeakPolarHBondContact O-CA 3.48Å; E348-G352 PolarHBondContact O-N 3.09Å; L350-G352 VanDerWaalsContact C-N 3.34Å; L350-G352 PolarHBondContact O-N 3.33Å; G352-V354 PolarHBondContact O-N 2.86Å; G352-A356 WeakPolarHBondContact O-CB 3.33Å; G352-A356 PolarHBondContact O-N 2.9Å
353	S	61.8	Low	62.1	Low	56 Å²	56	66.1 Å²	66.1	39%	0.392	41%	0.407	S	S	.	.	H	α-helix	trans	-63.8	-37.4	177.2	81.5	0	0	0	0	113.1	A349 L350 L351 S357	A349-S353 WeakPolarHBondContact O-CB 3.35Å; A349-S353 PolarHBondContact O-N 3.5Å; L350-S353 PolarHBondContact O-N 3.13Å; L350-S353 VanDerWaalsContact O-N 3.16Å; L350-S353 PolarHBondContact O-OG 3Å; L351-S353 VanDerWaalsContact C-N 3.34Å; L351-S353 PolarHBondContact O-N 3.4Å; S353-S357 WeakPolarHBondContact O-CB 3.26Å; S353-S357 PolarHBondContact O-N 3.43Å; S353-S357 PolarHBondContact O-OG 2.98Å
354	V	66.7	Low	62.6	Low	94 Å²	94	67 Å²	67	57%	0.57	41%	0.414	S	S	*	.	H	α-helix	trans	-74.6	-45.1	179.4	170.9	0	0	0	0	111	L350 L351 G352 S357 K358	L350-V354 WeakPolarHBondContact O-CG2 3.44Å; L350-V354 PolarHBondContact O-N 3.19Å; L351-V354 PolarHBondContact O-N 3.44Å; G352-V354 PolarHBondContact O-N 2.86Å; V354-S357 PolarHBondContact O-N 3.22Å; V354-K358 WeakPolarHBondContact O-CB 3.47Å; V354-K358 PolarHBondContact O-N 2.89Å
355	V	66.6	Low	63.2	Low	41 Å²	41	66.8 Å²	66.8	25%	0.248	42%	0.42	C	S	.	.	H	α-helix	trans	-66.5	-43	176.7	179.6	0	0	0	0	110.4	L351 K358 A359 A382 A385	L351-V355 WeakPolarHBondContact O-CG2 3.4Å; L351-V355 PolarHBondContact O-N 3.25Å; V355-K358 PolarHBondContact O-N 3.29Å; V355-A359 WeakPolarHBondContact O-CB 3.24Å; V355-A359 PolarHBondContact O-N 3.45Å; V355-A382 HydrophobicContact CB-CB 4.2Å; V355-A382 HydrophobicContact CG1-CB 3.87Å; V355-A385 HydrophobicContact CG1-CB 4.15Å
356	A	66.2	Low	63.7	Low	27 Å²	27	64.9 Å²	64.9	22%	0.223	41%	0.407	C	S	.	.	H	α-helix	trans	-59.7	-47.5	172.6	0	0	0	0	0	111.1	G352 K358 A359 M360 A382	G352-A356 WeakPolarHBondContact O-CB 3.33Å; G352-A356 PolarHBondContact O-N 2.9Å; A356-K358 VanDerWaalsContact C-N 3.29Å; A356-K358 PolarHBondContact O-N 2.87Å; A356-A359 PolarHBondContact O-N 2.88Å; A356-M360 VanDerWaalsContact O-CB 3.25Å; A356-M360 WeakPolarHBondContact O-CB 3.22Å; A356-M360 WeakPolarHBondContact O-CG 3.33Å; A356-M360 PolarHBondContact O-N 2.77Å; A356-A382 HydrophobicContact CB-CB 4.04Å
357	S	66.5	Low	64.1	Low	79 Å²	79	64.9 Å²	64.9	55%	0.552	42%	0.416	S	S	*	.	H	α-helix	trans	-58.4	-39.8	176.6	-65.2	0	0	0	0	112.5	S353 V354 A361	S353-S357 WeakPolarHBondContact O-CB 3.26Å; S353-S357 PolarHBondContact O-N 3.43Å; S353-S357 PolarHBondContact O-OG 2.98Å; V354-S357 PolarHBondContact O-N 3.22Å; S357-A361 VanDerWaalsContact O-CB 3.3Å; S357-A361 WeakPolarHBondContact O-CB 3.26Å; S357-A361 PolarHBondContact O-N 2.89Å
358	K	68.1	Low	64.5	Low	164 Å²	164	67 Å²	67	71%	0.713	43%	0.429	S	S	*	.	H	α-helix	trans	-71.6	-38.6	178	-165.2	172.8	-176.5	179	0	112.3	V354 V355 A356 S362	V354-K358 WeakPolarHBondContact O-CB 3.47Å; V354-K358 PolarHBondContact O-N 2.89Å; V355-K358 PolarHBondContact O-N 3.29Å; A356-K358 VanDerWaalsContact C-N 3.29Å; A356-K358 PolarHBondContact O-N 2.87Å; K358-S362 PolarHBondContact O-N 3.23Å
359	A	67	Low	64.3	Low	24 Å²	24	66.7 Å²	66.7	20%	0.198	43%	0.426	C	S	.	.	H	α-helix	trans	-68.2	-43.2	174.4	0	0	0	0	0	111.9	V355 A356 S362 I363 A378	V355-A359 WeakPolarHBondContact O-CB 3.24Å; V355-A359 PolarHBondContact O-N 3.45Å; A356-A359 PolarHBondContact O-N 2.88Å; A359-S362 WeakPolarHBondContact O-CB 3.44Å; A359-S362 PolarHBondContact O-N 2.96Å; A359-I363 PolarHBondContact O-N 3.31Å; A359-A378 HydrophobicContact CB-CB 3.81Å
360	M	66.5	Low	64	Low	78 Å²	78	66.9 Å²	66.9	38%	0.384	42%	0.418	S	S	.	.	H	α-helix	trans	-58.5	-45.6	172.4	-72.6	-73.3	-163.9	0	0	111.7	A356 S362 I363 A364 Y375	A356-M360 VanDerWaalsContact O-CB 3.25Å; A356-M360 WeakPolarHBondContact O-CB 3.22Å; A356-M360 WeakPolarHBondContact O-CG 3.33Å; A356-M360 PolarHBondContact O-N 2.77Å; M360-S362 VanDerWaalsContact C-N 3.32Å; M360-S362 PolarHBondContact O-N 3.37Å; M360-I363 PolarHBondContact O-N 3.2Å; M360-A364 WeakPolarHBondContact O-CB 3.48Å; M360-A364 PolarHBondContact O-N 2.99Å; M360-Y375 HydrophobicContact CE-CD1 4.01Å; M360-Y375 HydrophobicContact SD-CD1 3.46Å; M360-Y375 WeakPolarHBondContact SD-CD1 3.35Å; M360-Y375 HydrophobicContact SD-CE1 3.76Å
361	A	68.2	Low	64.2	Low	61 Å²	61	66 Å²	66	50%	0.504	41%	0.414	S	S	.	.	H	α-helix	trans	-62.3	-38.3	175.7	0	0	0	0	0	112.3	S357 A364 A365	S357-A361 VanDerWaalsContact O-CB 3.3Å; S357-A361 WeakPolarHBondContact O-CB 3.26Å; S357-A361 PolarHBondContact O-N 2.89Å; A361-A364 PolarHBondContact O-N 3.38Å; A361-A365 PolarHBondContact O-N 3.48Å
362	S	66.6	Low	64.2	Low	84 Å²	84	68.5 Å²	68.5	59%	0.587	43%	0.433	S	S	*	.	H	α-helix	trans	-64.5	-43.8	174	-168.8	0	0	0	0	112.1	K358 A359 M360 A364 A365 G366	K358-S362 PolarHBondContact O-N 3.23Å; A359-S362 WeakPolarHBondContact O-CB 3.44Å; A359-S362 PolarHBondContact O-N 2.96Å; M360-S362 VanDerWaalsContact C-N 3.32Å; M360-S362 PolarHBondContact O-N 3.37Å; S362-A364 VanDerWaalsContact C-N 3.34Å; S362-A364 PolarHBondContact O-N 3.48Å; S362-A365 PolarHBondContact O-N 3.42Å; S362-G366 PolarHBondContact O-N 2.92Å
363	I	61.5	Low	64.4	Low	23 Å²	23	73.2 Å²	73.2	12%	0.118	45%	0.454	C	S	.	.	H	α-helix	trans	-63.3	-38.8	174.6	-74.1	171.2	0	0	0	111.7	A359 M360 A365 G366 F369 A374 Y375 A378	A359-I363 PolarHBondContact O-N 3.31Å; M360-I363 PolarHBondContact O-N 3.2Å; I363-A365 VanDerWaalsContact C-N 3.32Å; I363-A365 PolarHBondContact O-N 3.25Å; I363-G366 PolarHBondContact O-N 3.07Å; I363-F369 WeakPolarHBondContact O-CA 3.45Å; I363-F369 WeakPolarHBondContact O-CB 3.37Å; I363-F369 PolarHBondContact O-N 3.5Å; I363-A374 HydrophobicContact CD1-CB 3.98Å; I363-A374 WeakPolarHBondContact CD1-O 3.28Å; I363-A374 HydrophobicContact CG1-CB 4.46Å; I363-Y375 HydrophobicContact CG2-CE1 4.1Å; I363-Y375 HydrophobicContact CG2-CE2 4.01Å; I363-A378 HydrophobicContact CD1-CB 3.51Å
364	A	61.9	Low	64.8	Low	60 Å²	60	71.4 Å²	71.4	50%	0.496	44%	0.442	S	S	.	.	H	α-helix	trans	-68.8	-26.2	176.1	0	0	0	0	0	113.9	M360 A361 S362 F369	M360-A364 WeakPolarHBondContact O-CB 3.48Å; M360-A364 PolarHBondContact O-N 2.99Å; A361-A364 PolarHBondContact O-N 3.38Å; S362-A364 VanDerWaalsContact C-N 3.34Å; S362-A364 PolarHBondContact O-N 3.48Å; A364-F369 HydrophobicContact CB-CD2 4.14Å; A364-F369 HydrophobicContact CB-CE2 4.37Å
365	A	65.8	Low	64.9	Low	91 Å²	91	70.1 Å²	70.1	75%	0.752	43%	0.428	S	S	*	.	H	α-helix	trans	-80.8	-27.1	171.4	0	0	0	0	0	113	A361 S362 I363	A361-A365 PolarHBondContact O-N 3.48Å; S362-A365 PolarHBondContact O-N 3.42Å; I363-A365 VanDerWaalsContact C-N 3.32Å; I363-A365 PolarHBondContact O-N 3.25Å
366	G	67.3	Low	65.1	Low	26 Å²	26	71.1 Å²	71.1	27%	0.268	44%	0.437	S	S	.	.	S	Bend	trans	-84.3	163.7	-174.8	0	0	0	0	0	115.5	S362 I363 N368 F369	S362-G366 PolarHBondContact O-N 2.92Å; I363-G366 PolarHBondContact O-N 3.07Å; G366-N368 PolarHBondContact O-N 2.92Å; G366-N368 VanDerWaalsContact O-N 3.12Å; G366-F369 PolarHBondContact O-N 3.29Å
367	P	63.4	Low	65.3	Low	110 Å²	110	71.3 Å²	71.3	71%	0.714	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.9	172.9	27.9	-35.3	0	0	0	113.4	F369	P367-F369 VanDerWaalsContact C-N 3.34Å; P367-F369 PolarHBondContact O-N 3.04Å
368	N	59.7	Low	65.4	Low	101 Å²	101	68 Å²	68	54%	0.54	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	2.3	-176	-65.9	-14.6	0	0	0	114.6	G366 L370 N371	G366-N368 PolarHBondContact O-N 2.92Å; G366-N368 VanDerWaalsContact O-N 3.12Å; N368-L370 PolarHBondContact O-N 3.45Å; N368-N371 PolarHBondContact O-N 2.83Å
369	F	56.1	Low	65.4	Low	69 Å²	69	64 Å²	64	30%	0.303	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-17	178.3	176.1	-116.5	0	0	0	116	I363 A364 G366 P367 Y375 L642	I363-F369 WeakPolarHBondContact O-CA 3.45Å; I363-F369 WeakPolarHBondContact O-CB 3.37Å; I363-F369 PolarHBondContact O-N 3.5Å; A364-F369 HydrophobicContact CB-CD2 4.14Å; A364-F369 HydrophobicContact CB-CE2 4.37Å; G366-F369 PolarHBondContact O-N 3.29Å; P367-F369 VanDerWaalsContact C-N 3.34Å; P367-F369 PolarHBondContact O-N 3.04Å; F369-Y375 WeakPolarHBondContact CD2-OH 3.42Å; F369-Y375 VanDerWaalsContact CE2-OH 3.24Å; F369-Y375 WeakPolarHBondContact CE2-OH 3.47Å; F369-Y375 VanDerWaalsContact O-CE2 3.31Å; F369-Y375 WeakPolarHBondContact O-CE2 3.48Å; F369-Y375 PolarHBondContact O-OH 3.01Å; F369-L642 HydrophobicContact CE1-CD2 4.43Å
370	L	55	Low	65.5	Low	68 Å²	68	68.6 Å²	68.6	36%	0.356	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	18.1	-176.8	-68.4	163.8	0	0	0	114	N368 F634 R639	N368-L370 PolarHBondContact O-N 3.45Å; L370-F634 HydrophobicContact CD1-CE1 3.85Å; L370-F634 HydrophobicContact CD1-CZ 4.26Å; L370-F634 HydrophobicContact CD2-CE1 3.82Å; L370-F634 HydrophobicContact CD2-CZ 3.66Å; L370-F634 HydrophobicContact CG-CE1 4.44Å; L370-R639 HydrophobicContact CD1-CG 4.14Å
371	N	64.3	Low	65.5	Low	71 Å²	71	67.5 Å²	67.5	38%	0.38	42%	0.42	S	S	.	.			trans	-101.3	109.1	170.8	-179.1	3.8	0	0	0	109.8	N368 N373 A374 Y375	N368-N371 PolarHBondContact O-N 2.83Å; N371-N373 PolarHBondContact O-N 3.26Å; N371-N373 WeakPolarHBondContact OD1-CB 3.47Å; N371-N373 PolarHBondContact OD1-N 2.68Å; N371-N373 VanDerWaalsContact OD1-N 3.11Å; N371-A374 HydrophobicContact CB-CB 4.19Å; N371-A374 VanDerWaalsContact O-CB 3.31Å; N371-A374 WeakPolarHBondContact O-CB 3.35Å; N371-A374 PolarHBondContact O-N 3.48Å; N371-Y375 WeakPolarHBondContact O-CD2 3.28Å
372	P	63	Low	65.3	Low	94 Å²	94	64.8 Å²	64.8	61%	0.61	40%	0.397	S	S	*	.	H	α-helix	trans	-58.5	-30.9	179.8	24	-33.3	0	0	0	112.8	A374 Y375 S376	P372-A374 PolarHBondContact O-N 3.1Å; P372-Y375 WeakPolarHBondContact O-CB 3.27Å; P372-Y375 PolarHBondContact O-N 3.48Å; P372-Y375 VanDerWaalsContact O-N 3.08Å; P372-S376 PolarHBondContact O-N 2.96Å; P372-S376 VanDerWaalsContact O-N 3.16Å
373	N	70.8	Confident	65.3	Low	117 Å²	117	63.7 Å²	63.7	63%	0.626	39%	0.394	S	S	*	.	H	α-helix	trans	-67	-24.9	177.7	-57.3	19.3	0	0	0	112.1	N371 A377	N371-N373 PolarHBondContact O-N 3.26Å; N371-N373 WeakPolarHBondContact OD1-CB 3.47Å; N371-N373 PolarHBondContact OD1-N 2.68Å; N371-N373 VanDerWaalsContact OD1-N 3.11Å; N373-A377 WeakPolarHBondContact O-CB 3.48Å; N373-A377 PolarHBondContact O-N 2.93Å
374	A	69.1	Low	65.5	Low	18 Å²	18	65.5 Å²	65.5	15%	0.149	41%	0.412	C	S	.	.	H	α-helix	trans	-69.7	-36	173.4	0	0	0	0	0	111.4	I363 N371 P372 A378	I363-A374 HydrophobicContact CD1-CB 3.98Å; I363-A374 WeakPolarHBondContact CD1-O 3.28Å; I363-A374 HydrophobicContact CG1-CB 4.46Å; N371-A374 HydrophobicContact CB-CB 4.19Å; N371-A374 VanDerWaalsContact O-CB 3.31Å; N371-A374 WeakPolarHBondContact O-CB 3.35Å; N371-A374 PolarHBondContact O-N 3.48Å; P372-A374 PolarHBondContact O-N 3.1Å; A374-A378 WeakPolarHBondContact O-CB 3.37Å; A374-A378 PolarHBondContact O-N 3.12Å
375	Y	69.7	Low	65.6	Low	67 Å²	67	64.2 Å²	64.2	26%	0.263	40%	0.402	S	S	.	.	H	α-helix	trans	-67.1	-42.7	174.7	-66.8	-92.9	0	0	0	111.4	M360 I363 F369 N371 P372 A378 T379	M360-Y375 HydrophobicContact CE-CD1 4.01Å; M360-Y375 HydrophobicContact SD-CD1 3.46Å; M360-Y375 WeakPolarHBondContact SD-CD1 3.35Å; M360-Y375 HydrophobicContact SD-CE1 3.76Å; I363-Y375 HydrophobicContact CG2-CE1 4.1Å; I363-Y375 HydrophobicContact CG2-CE2 4.01Å; F369-Y375 WeakPolarHBondContact CD2-OH 3.42Å; F369-Y375 VanDerWaalsContact CE2-OH 3.24Å; F369-Y375 WeakPolarHBondContact CE2-OH 3.47Å; F369-Y375 VanDerWaalsContact O-CE2 3.31Å; F369-Y375 WeakPolarHBondContact O-CE2 3.48Å; F369-Y375 PolarHBondContact O-OH 3.01Å; N371-Y375 WeakPolarHBondContact O-CD2 3.28Å; P372-Y375 WeakPolarHBondContact O-CB 3.27Å; P372-Y375 PolarHBondContact O-N 3.48Å; P372-Y375 VanDerWaalsContact O-N 3.08Å; Y375-A378 PolarHBondContact O-N 3.41Å; Y375-T379 PolarHBondContact O-N 3.43Å; Y375-T379 VanDerWaalsContact O-N 3.09Å; Y375-T379 PolarHBondContact O-OG1 2.91Å; Y375-T379 VanDerWaalsContact O-OG1 3.14Å
376	S	70.6	Confident	65.5	Low	62 Å²	62	60.3 Å²	60.3	43%	0.434	37%	0.369	S	S	.	.	H	α-helix	trans	-58.4	-52.2	172.6	-159.7	0	0	0	0	111.3	P372 A378 T379 E380	P372-S376 PolarHBondContact O-N 2.96Å; P372-S376 VanDerWaalsContact O-N 3.16Å; S376-A378 VanDerWaalsContact C-N 3.29Å; S376-A378 PolarHBondContact O-N 3.48Å; S376-T379 WeakPolarHBondContact O-CB 3.42Å; S376-T379 PolarHBondContact O-N 3.05Å; S376-E380 WeakPolarHBondContact O-CG 3.44Å; S376-E380 PolarHBondContact O-N 3.47Å; S376-E380 PolarHBondContact OG-OE1 2.99Å
377	A	71.3	Confident	65.5	Low	31 Å²	31	62 Å²	62	26%	0.256	38%	0.381	S	S	.	.	H	α-helix	trans	-61.5	-33.8	179.7	0	0	0	0	0	113.1	N373 V381	N373-A377 WeakPolarHBondContact O-CB 3.48Å; N373-A377 PolarHBondContact O-N 2.93Å; A377-V381 VanDerWaalsContact O-CB 3.29Å; A377-V381 WeakPolarHBondContact O-CB 3.34Å; A377-V381 WeakPolarHBondContact O-CG2 3.36Å; A377-V381 PolarHBondContact O-N 2.96Å
378	A	67.2	Low	65.5	Low	10 Å²	10	59.9 Å²	59.9	8%	0.083	37%	0.372	C	S	.	.	H	α-helix	trans	-68.2	-37.8	173.3	0	0	0	0	0	112.9	A359 I363 A374 Y375 S376 A382	A359-A378 HydrophobicContact CB-CB 3.81Å; I363-A378 HydrophobicContact CD1-CB 3.51Å; A374-A378 WeakPolarHBondContact O-CB 3.37Å; A374-A378 PolarHBondContact O-N 3.12Å; Y375-A378 PolarHBondContact O-N 3.41Å; S376-A378 VanDerWaalsContact C-N 3.29Å; S376-A378 PolarHBondContact O-N 3.48Å; A378-A382 VanDerWaalsContact O-CB 3.23Å; A378-A382 WeakPolarHBondContact O-CB 3.37Å; A378-A382 PolarHBondContact O-N 2.7Å
379	T	69.1	Low	65.6	Low	80 Å²	80	58.2 Å²	58.2	49%	0.491	36%	0.363	S	S	.	.	H	α-helix	trans	-67.5	-43.2	174.2	-57.3	0	0	0	0	111.2	Y375 S376 A382 A383	Y375-T379 PolarHBondContact O-N 3.43Å; Y375-T379 VanDerWaalsContact O-N 3.09Å; Y375-T379 PolarHBondContact O-OG1 2.91Å; Y375-T379 VanDerWaalsContact O-OG1 3.14Å; S376-T379 WeakPolarHBondContact O-CB 3.42Å; S376-T379 PolarHBondContact O-N 3.05Å; T379-A382 PolarHBondContact O-N 3.4Å; T379-A383 WeakPolarHBondContact O-CB 3.49Å; T379-A383 PolarHBondContact O-N 3.19Å
380	E	68.7	Low	65.9	Low	119 Å²	119	56.7 Å²	56.7	56%	0.556	36%	0.36	S	S	*	.	H	α-helix	trans	-62.3	-46.1	175.3	-70.9	159.4	-138.8	0	0	111.9	S376 A382 A383 A384	S376-E380 WeakPolarHBondContact O-CG 3.44Å; S376-E380 PolarHBondContact O-N 3.47Å; S376-E380 PolarHBondContact OG-OE1 2.99Å; E380-A382 VanDerWaalsContact C-N 3.34Å; E380-A382 PolarHBondContact O-N 2.8Å; E380-A383 PolarHBondContact O-N 2.78Å; E380-A384 WeakPolarHBondContact O-CB 3.45Å; E380-A384 PolarHBondContact O-N 3.17Å
381	V	66.7	Low	65.9	Low	55 Å²	55	57 Å²	57	33%	0.333	37%	0.366	S	S	.	.	H	α-helix	trans	-65.8	-35.3	175.7	169.2	0	0	0	0	111.6	A377 A385	A377-V381 VanDerWaalsContact O-CB 3.29Å; A377-V381 WeakPolarHBondContact O-CB 3.34Å; A377-V381 WeakPolarHBondContact O-CG2 3.36Å; A377-V381 PolarHBondContact O-N 2.96Å; V381-A385 WeakPolarHBondContact O-CB 3.41Å; V381-A385 PolarHBondContact O-N 2.98Å
382	A	64.2	Low	65.2	Low	4 Å²	4	60.5 Å²	60.5	3%	0.033	38%	0.378	C	S	.	.	H	α-helix	trans	-67.4	-41.8	174.9	0	0	0	0	0	112.4	V355 A356 A378 T379 E380 A385 A386	V355-A382 HydrophobicContact CB-CB 4.2Å; V355-A382 HydrophobicContact CG1-CB 3.87Å; A356-A382 HydrophobicContact CB-CB 4.04Å; A378-A382 VanDerWaalsContact O-CB 3.23Å; A378-A382 WeakPolarHBondContact O-CB 3.37Å; A378-A382 PolarHBondContact O-N 2.7Å; T379-A382 PolarHBondContact O-N 3.4Å; E380-A382 VanDerWaalsContact C-N 3.34Å; E380-A382 PolarHBondContact O-N 2.8Å; A382-A385 PolarHBondContact O-N 3.09Å; A382-A386 WeakPolarHBondContact O-CB 3.5Å; A382-A386 PolarHBondContact O-N 3.01Å
383	A	65	Low	64.4	Low	61 Å²	61	61 Å²	61	50%	0.504	37%	0.368	S	S	.	.	H	α-helix	trans	-64.7	-44.5	174.7	0	0	0	0	0	111.9	T379 E380 A385 A386 A387	T379-A383 WeakPolarHBondContact O-CB 3.49Å; T379-A383 PolarHBondContact O-N 3.19Å; E380-A383 PolarHBondContact O-N 2.78Å; A383-A385 PolarHBondContact O-N 3.48Å; A383-A386 PolarHBondContact O-N 3.26Å; A383-A387 WeakPolarHBondContact O-CB 3.45Å; A383-A387 PolarHBondContact O-N 2.97Å
384	A	66.7	Low	63.4	Low	62 Å²	62	58.3 Å²	58.3	51%	0.512	36%	0.356	S	S	.	.	H	α-helix	trans	-63.7	-39.5	176.2	0	0	0	0	0	112.5	E380 A388	E380-A384 WeakPolarHBondContact O-CB 3.45Å; E380-A384 PolarHBondContact O-N 3.17Å; A384-A388 WeakPolarHBondContact O-CB 3.47Å; A384-A388 PolarHBondContact O-N 3.48Å
385	A	64.6	Low	62.3	Low	33 Å²	33	60.9 Å²	60.9	27%	0.273	37%	0.373	S	S	.	.	H	α-helix	trans	-68.6	-37	176.1	0	0	0	0	0	112.8	V355 V381 A382 A383 L389	V355-A385 HydrophobicContact CG1-CB 4.15Å; V381-A385 WeakPolarHBondContact O-CB 3.41Å; V381-A385 PolarHBondContact O-N 2.98Å; A382-A385 PolarHBondContact O-N 3.09Å; A383-A385 PolarHBondContact O-N 3.48Å; A385-L389 WeakPolarHBondContact O-CG 3.29Å; A385-L389 PolarHBondContact O-N 3.08Å
386	A	63.5	Low	61	Low	9 Å²	9	62.7 Å²	62.7	7%	0.074	39%	0.386	C	S	.	.	H	α-helix	trans	-62.6	-52.2	172.6	0	0	0	0	0	110.8	A382 A383 A388 L389 T390	A382-A386 WeakPolarHBondContact O-CB 3.5Å; A382-A386 PolarHBondContact O-N 3.01Å; A383-A386 PolarHBondContact O-N 3.26Å; A386-A388 VanDerWaalsContact C-N 3.26Å; A386-A388 PolarHBondContact O-N 2.95Å; A386-L389 PolarHBondContact O-N 3.16Å; A386-T390 PolarHBondContact O-N 2.96Å; A386-T390 VanDerWaalsContact O-N 3.09Å; A386-T390 PolarHBondContact O-OG1 2.99Å
387	A	66.5	Low	59.6	Low	62 Å²	62	64.4 Å²	64.4	51%	0.512	39%	0.39	S	S	.	.	H	α-helix	trans	-60.4	-31.5	178.7	0	0	0	0	0	113.7	A383 L389 P391	A383-A387 WeakPolarHBondContact O-CB 3.45Å; A383-A387 PolarHBondContact O-N 2.97Å; A387-L389 VanDerWaalsContact C-N 3.33Å; A387-P391 WeakPolarHBondContact O-CD 3.31Å
388	A	64.8	Low	58.1	Low	64 Å²	64	69 Å²	69	53%	0.529	41%	0.411	S	S	.	.	H	α-helix	trans	-72.1	-23.8	174.4	0	0	0	0	0	113.5	A384 A386	A384-A388 WeakPolarHBondContact O-CB 3.47Å; A384-A388 PolarHBondContact O-N 3.48Å; A386-A388 VanDerWaalsContact C-N 3.26Å; A386-A388 PolarHBondContact O-N 2.95Å
389	L	60	Low	56.7	Low	66 Å²	66	73.3 Å²	73.3	35%	0.346	44%	0.44	S	S	.	.	H	α-helix	trans	-89.7	-24.9	177.3	-70.1	171.4	0	0	0	112.9	A385 A386 A387 F392 Y393	A385-L389 WeakPolarHBondContact O-CG 3.29Å; A385-L389 PolarHBondContact O-N 3.08Å; A386-L389 PolarHBondContact O-N 3.16Å; A387-L389 VanDerWaalsContact C-N 3.33Å; L389-F392 WeakPolarHBondContact O-CB 3.5Å; L389-F392 PolarHBondContact O-N 3.28Å; L389-Y393 HydrophobicContact CB-CD2 4.31Å; L389-Y393 HydrophobicContact CB-CE2 4.47Å; L389-Y393 PolarHBondContact O-N 2.75Å; L389-Y393 VanDerWaalsContact O-N 3.15Å
390	T	62.3	Low	55	Low	38 Å²	38	73.9 Å²	73.9	23%	0.233	45%	0.448	C	S	.	.	H	α-helix	trans	-43.1	-53.8	174.6	-52.2	0	0	0	0	114	E348 A386 F392 Y393 T394	E348-T390 WeakPolarHBondContact OE1-CB 3.36Å; E348-T390 WeakPolarHBondContact OE1-CG2 3.49Å; E348-T390 PolarHBondContact OE1-OG1 3.24Å; A386-T390 PolarHBondContact O-N 2.96Å; A386-T390 VanDerWaalsContact O-N 3.09Å; A386-T390 PolarHBondContact O-OG1 2.99Å; T390-F392 VanDerWaalsContact C-N 3.28Å; T390-F392 PolarHBondContact O-N 3.11Å; T390-Y393 PolarHBondContact O-N 3.18Å; T390-T394 HydrophobicContact CG2-CG2 4.29Å; T390-T394 WeakPolarHBondContact O-CG2 3.18Å; T390-T394 PolarHBondContact O-N 3.25Å; T390-T394 PolarHBondContact O-OG1 2.75Å; T390-T394 VanDerWaalsContact O-OG1 3.08Å
391	P	55.5	Low	53.3	Low	75 Å²	75	75.4 Å²	75.4	49%	0.487	46%	0.459	S	S	.	.	H	α-helix	trans	-64	-28	-179.3	24.8	-35.3	0	0	0	114.2	A387 T394 S395	A387-P391 WeakPolarHBondContact O-CD 3.31Å; P391-T394 WeakPolarHBondContact CA-OG1 3.36Å; P391-T394 PolarHBondContact O-OG1 3.35Å; P391-S395 WeakPolarHBondContact O-CB 3.33Å; P391-S395 PolarHBondContact O-N 3.07Å
392	F	49.5	Very low	51.7	Low	144 Å²	144	78.3 Å²	78.3	63%	0.632	48%	0.482	S	S	*	.	H	α-helix	trans	-72.3	-46.1	175.6	-87.4	-87.9	0	0	0	111.3	L389 T390 S395 I396	L389-F392 WeakPolarHBondContact O-CB 3.5Å; L389-F392 PolarHBondContact O-N 3.28Å; T390-F392 VanDerWaalsContact C-N 3.28Å; T390-F392 PolarHBondContact O-N 3.11Å; F392-S395 PolarHBondContact O-N 3.48Å; F392-I396 WeakPolarHBondContact O-CG1 3.33Å; F392-I396 PolarHBondContact O-N 3.45Å; F392-I396 VanDerWaalsContact O-N 3.13Å
393	Y	46.8	Very low	50	Low	103 Å²	103	86 Å²	86	40%	0.404	52%	0.522	S	S	.	.	H	α-helix	trans	-72.5	-32.7	-179.5	-79.9	-82.5	0	0	0	113.4	M347 L351 L389 T390 S395 I396 N397	M347-Y393 HydrophobicContact SD-CD1 4.15Å; L351-Y393 HydrophobicContact CD1-CD2 4.35Å; L351-Y393 HydrophobicContact CD1-CE2 4.32Å; L389-Y393 HydrophobicContact CB-CD2 4.31Å; L389-Y393 HydrophobicContact CB-CE2 4.47Å; L389-Y393 PolarHBondContact O-N 2.75Å; L389-Y393 VanDerWaalsContact O-N 3.15Å; T390-Y393 PolarHBondContact O-N 3.18Å; Y393-S395 VanDerWaalsContact C-N 3.33Å; Y393-I396 PolarHBondContact O-N 2.9Å; Y393-N397 PolarHBondContact O-N 3.25Å; Y393-N397 VanDerWaalsContact O-N 3.11Å
394	T	50.5	Low	48.4	Very low	61 Å²	61	88.7 Å²	88.7	37%	0.374	53%	0.534	S	S	.	.	H	α-helix	trans	-66.7	-34.2	171.8	54.4	0	0	0	0	112.4	T390 P391 N398	T390-T394 HydrophobicContact CG2-CG2 4.29Å; T390-T394 WeakPolarHBondContact O-CG2 3.18Å; T390-T394 PolarHBondContact O-N 3.25Å; T390-T394 PolarHBondContact O-OG1 2.75Å; T390-T394 VanDerWaalsContact O-OG1 3.08Å; P391-T394 WeakPolarHBondContact CA-OG1 3.36Å; P391-T394 PolarHBondContact O-OG1 3.35Å; T394-N398 VanDerWaalsContact O-CB 3.26Å; T394-N398 WeakPolarHBondContact O-CB 3.44Å; T394-N398 PolarHBondContact O-N 3.46Å; T394-N398 VanDerWaalsContact O-N 3.08Å; T394-N398 PolarHBondContact O-ND2 3.42Å
395	S	44.9	Very low	46.7	Very low	73 Å²	73	91.7 Å²	91.7	51%	0.51	55%	0.552	S	S	.	*	H	α-helix	trans	-66.2	-43.3	174	-169.9	0	0	0	0	112.5	P391 F392 Y393 N398 S399	P391-S395 WeakPolarHBondContact O-CB 3.33Å; P391-S395 PolarHBondContact O-N 3.07Å; F392-S395 PolarHBondContact O-N 3.48Å; Y393-S395 VanDerWaalsContact C-N 3.33Å; S395-N398 PolarHBondContact O-N 3.48Å; S395-S399 PolarHBondContact O-N 2.97Å; S395-S399 PolarHBondContact O-OG 3.38Å
396	I	42.9	Very low	45.1	Very low	105 Å²	105	96 Å²	96	54%	0.538	58%	0.58	S	S	.	*	H	α-helix	trans	-64.7	-45.6	179.4	-67.1	164.7	0	0	0	111.1	F392 Y393 S399	F392-I396 WeakPolarHBondContact O-CG1 3.33Å; F392-I396 PolarHBondContact O-N 3.45Å; F392-I396 VanDerWaalsContact O-N 3.13Å; Y393-I396 PolarHBondContact O-N 2.9Å; I396-S399 WeakPolarHBondContact O-CB 3.42Å; I396-S399 PolarHBondContact O-N 3.01Å
397	N	41.8	Very low	43.6	Very low	97 Å²	97	102.8 Å²	102.8	52%	0.519	62%	0.62	S	S	.	*	H	α-helix	trans	-70.1	-34.7	178.7	-80.7	-14.1	0	0	0	113.4	Y393 S399 S400	Y393-N397 PolarHBondContact O-N 3.25Å; Y393-N397 VanDerWaalsContact O-N 3.11Å; N397-S399 PolarHBondContact O-N 3.48Å; N397-S400 PolarHBondContact O-OG 2.86Å; N397-S400 VanDerWaalsContact O-OG 3.1Å
398	N	39.7	Very low	42	Very low	128 Å²	128	104.3 Å²	104.3	68%	0.684	63%	0.633	S	S	*	*	H	α-helix	trans	-74.1	-8.9	178.3	-72.8	-11.4	0	0	0	113.8	T394 S395 S400	T394-N398 VanDerWaalsContact O-CB 3.26Å; T394-N398 WeakPolarHBondContact O-CB 3.44Å; T394-N398 PolarHBondContact O-N 3.46Å; T394-N398 VanDerWaalsContact O-N 3.08Å; T394-N398 PolarHBondContact O-ND2 3.42Å; S395-N398 PolarHBondContact O-N 3.48Å; N398-S400 PolarHBondContact O-N 3.12Å
399	S	36.8	Very low	40.6	Very low	100 Å²	100	107.9 Å²	107.9	70%	0.699	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	7.5	177.7	-63.4	0	0	0	0	114.2	S395 I396 N397	S395-S399 PolarHBondContact O-N 2.97Å; S395-S399 PolarHBondContact O-OG 3.38Å; I396-S399 WeakPolarHBondContact O-CB 3.42Å; I396-S399 PolarHBondContact O-N 3.01Å; N397-S399 PolarHBondContact O-N 3.48Å
400	S	34.6	Very low	39.3	Very low	92 Å²	92	110 Å²	110	64%	0.643	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.3	9.3	-169.5	67	0	0	0	0	116.6	N397 N398	N397-S400 PolarHBondContact O-OG 2.86Å; N397-S400 VanDerWaalsContact O-OG 3.1Å; N398-S400 PolarHBondContact O-N 3.12Å
401	L	31.6	Very low	37.9	Very low	151 Å²	151	114.9 Å²	114.9	79%	0.791	69%	0.69	S	S	*	*			trans	-130.4	128.4	166.4	-81.3	94	0	0	0	111.6
402	S	34	Very low	36.9	Very low	117 Å²	117	118.3 Å²	118.3	82%	0.818	70%	0.7	S	S	*	*			trans	-88.7	153.8	174.6	44.2	0	0	0	0	112.6
403	N	28.5	Very low	36.1	Very low	164 Å²	164	117.7 Å²	117.7	88%	0.877	71%	0.708	S	S	*	*			trans	-37.3	138.6	178.9	-69	-22.9	0	0	0	114.4
404	P	30.7	Very low	35.4	Very low	118 Å²	118	116.1 Å²	116.1	77%	0.766	72%	0.716	S	S	*	*				-146.3	139.2	89.5	36.9	-21.5	0	0	0	116.1
405	S	32.1	Very low	34.5	Very low	126 Å²	126	123.4 Å²	123.4	88%	0.881	74%	0.739	S	S	*	*			trans	-171.3	113.9	148.2	-86.9	0	0	0	0	112.3
406	S	30.4	Very low	33.9	Very low	123 Å²	123	128 Å²	128	86%	0.86	75%	0.752	S	S	*	*			trans	-157.9	67.2	164.3	65.5	0	0	0	0	111.1
407	V	31.4	Very low	33.6	Very low	151 Å²	151	127.8 Å²	127.8	92%	0.915	76%	0.757	S	S	*	*			trans	-127.1	118.3	166.8	179.5	0	0	0	0	107.4
408	A	34.3	Very low	33.2	Very low	94 Å²	94	131.2 Å²	131.2	78%	0.777	77%	0.77	S	S	*	*			trans	-114.6	154.5	-178.6	0	0	0	0	0	111.4
409	T	35.2	Very low	33	Very low	139 Å²	139	130.1 Å²	130.1	85%	0.853	76%	0.763	S	S	*	*			trans	-64.6	141	-170.9	-40.4	0	0	0	0	113.7
410	P	32.2	Very low	33	Very low	111 Å²	111	133 Å²	133	72%	0.721	77%	0.765	S	S	*	*			trans	-85.2	139.5	172.5	33.3	-33.8	0	0	0	112.7
411	N	32	Very low	33.1	Very low	140 Å²	140	134.8 Å²	134.8	75%	0.749	76%	0.763	S	S	*	*			trans	-168.8	141.2	135.5	-119.9	-33.4	0	0	0	116.1
412	Q	34.1	Very low	33.5	Very low	148 Å²	148	136.1 Å²	136.1	69%	0.692	77%	0.765	S	S	*	*			trans	63.8	126	146.9	-80.7	167.3	70.6	0	0	124.1
413	T	33.5	Very low	33.5	Very low	130 Å²	130	133.8 Å²	133.8	80%	0.798	76%	0.76	S	S	*	*			trans	68.7	141.7	144.2	54.2	0	0	0	0	120.9
414	A	32.6	Very low	33.8	Very low	70 Å²	70	131.9 Å²	131.9	58%	0.579	76%	0.759	S	S	*	*			cis	-170.3	172.4	-16.1	0	0	0	0	0	111.5
415	Y	30.8	Very low	34.2	Very low	214 Å²	214	132.7 Å²	132.7	84%	0.839	76%	0.762	S	S	*	*			trans	66.7	142.3	173.3	-65.3	-104	0	0	0	116.5
416	Q	33.1	Very low	34.3	Very low	171 Å²	171	130.1 Å²	130.1	80%	0.799	76%	0.755	S	S	*	*			cis	-154.1	173.4	-16.9	-122.2	-155.9	2.5	0	0	110.2
417	P	36	Very low	34.7	Very low	99 Å²	99	129.4 Å²	129.4	64%	0.643	75%	0.75	S	S	*	*			trans	-118.3	172.5	-158.6	44.4	-39.5	0	0	0	118.4
418	H	34.4	Very low	34.8	Very low	170 Å²	170	129.2 Å²	129.2	79%	0.787	74%	0.744	S	S	*	*			trans	-153.2	121.2	143.8	-134.8	-92.9	0	0	0	107.2
419	I	34.6	Very low	34.7	Very low	104 Å²	104	130 Å²	130	53%	0.533	74%	0.743	S	S	.	*				63.3	119.1	61.9	-57.3	-63.5	0	0	0	110.4
420	Q	36.7	Very low	34.6	Very low	161 Å²	161	129.8 Å²	129.8	75%	0.752	74%	0.742	S	S	*	*			cis	-111.9	-117.5	40.8	-67.4	177.8	-22.8	0	0	118.1
421	H	37.1	Very low	34.8	Very low	130 Å²	130	130 Å²	130	60%	0.602	75%	0.746	S	S	*	*			trans	-148.1	-175.5	-147.5	-46.5	-47.1	0	0	0	110.7
422	H	38.8	Very low	34.8	Very low	179 Å²	179	126.1 Å²	126.1	83%	0.829	74%	0.739	S	S	*	*			cis	-145.2	175.6	11.3	-59.5	-97.9	0	0	0	109
423	G	35.2	Very low	34.9	Very low	68 Å²	68	125.7 Å²	125.7	70%	0.701	75%	0.747	S	S	*	*			cis	163	144.3	-13	0	0	0	0	0	113.3
424	S	35.1	Very low	35	Very low	124 Å²	124	127 Å²	127	87%	0.867	74%	0.744	S	S	*	*			trans	67.6	151.6	171.4	-115.9	0	0	0	0	117.6
425	V	38.1	Very low	35	Very low	135 Å²	135	130.1 Å²	130.1	82%	0.818	75%	0.75	S	S	*	*			cis	-142.5	139.9	12	-176.5	0	0	0	0	111.8
426	G	35.7	Very low	35	Very low	72 Å²	72	128.3 Å²	128.3	74%	0.742	75%	0.747	S	S	*	*			trans	61.1	156.8	142.2	0	0	0	0	0	122.9
427	S	38.8	Very low	35	Very low	107 Å²	107	125.5 Å²	125.5	75%	0.748	74%	0.737	S	S	*	*			cis	-167.6	141.3	-9.7	54.9	0	0	0	0	114.4
428	N	33.4	Very low	35	Very low	147 Å²	147	127.3 Å²	127.3	79%	0.786	74%	0.737	S	S	*	*			trans	61.2	95.6	144.5	-58.1	1.4	0	0	0	123.2
429	S	30.5	Very low	34.9	Very low	110 Å²	110	126.5 Å²	126.5	77%	0.769	73%	0.734	S	S	*	*				33	164.5	105.6	-50	0	0	0	0	125
430	T	34.8	Very low	34.7	Very low	136 Å²	136	128.9 Å²	128.9	83%	0.834	74%	0.742	S	S	*	*			trans	81.7	139.8	166.6	-0.9	0	0	0	0	114.9
431	S	35.5	Very low	34.8	Very low	115 Å²	115	127.8 Å²	127.8	80%	0.804	75%	0.746	S	S	*	*			cis	-144.6	173	18.1	-54.3	0	0	0	0	113.4
432	G	31.9	Very low	34.5	Very low	58 Å²	58	129 Å²	129	60%	0.598	76%	0.756	S	S	*	*			trans	-131.1	-153.2	172.5	0	0	0	0	0	113.5
433	T	36.2	Very low	34.5	Very low	140 Å²	140	126.7 Å²	126.7	86%	0.859	76%	0.757	S	S	*	*			trans	76	157.8	-176.4	81.6	0	0	0	0	114.3
434	H	34.7	Very low	34.4	Very low	158 Å²	158	129 Å²	129	73%	0.731	76%	0.763	S	S	*	*			cis	-158.8	172.9	6.4	-149.5	-147	0	0	0	113.6
435	L	34.6	Very low	34.4	Very low	134 Å²	134	128.5 Å²	128.5	70%	0.702	76%	0.759	S	S	*	*			trans	69.2	121.2	156.5	-117.5	42.4	0	0	0	118.7
436	F	30.6	Very low	34.3	Very low	177 Å²	177	127.9 Å²	127.9	78%	0.776	76%	0.761	S	S	*	*				85.2	126.8	52.4	-146.9	-103	0	0	0	112.1
437	N	32.7	Very low	34.2	Very low	111 Å²	111	129.8 Å²	129.8	59%	0.594	76%	0.763	S	S	*	*				-175.2	172	82.9	-162.2	21.1	0	0	0	115.2
438	Q	35.2	Very low	34.1	Very low	138 Å²	138	128.4 Å²	128.4	65%	0.645	76%	0.758	S	S	*	*			trans	-14.7	147.1	171.5	-71.6	154.3	61.8	0	0	121.2
439	Q	32.3	Very low	33.9	Very low	153 Å²	153	132 Å²	132	72%	0.715	76%	0.762	S	S	*	*			cis	103.4	143.1	19.9	-164.7	-171.9	12.3	0	0	115
440	H	31.7	Very low	34.4	Very low	154 Å²	154	133 Å²	133	71%	0.713	77%	0.765	S	S	*	*			trans	79.4	126.3	171.2	-64.5	-71.4	0	0	0	121.9
441	V	37.5	Very low	34.4	Very low	138 Å²	138	130 Å²	130	84%	0.836	76%	0.762	S	S	*	*				158.4	137.8	115	166.4	0	0	0	0	110.7
442	L	32	Very low	34.4	Very low	155 Å²	155	130 Å²	130	81%	0.812	76%	0.762	S	S	*	*			trans	-109.5	163	171.8	-65.3	170.5	0	0	0	110.1
443	P	37.9	Very low	34.5	Very low	130 Å²	130	134.6 Å²	134.6	84%	0.844	77%	0.772	S	S	*	*				-149.2	-176.5	104.4	38.7	-21.6	0	0	0	115.7
444	S	32.4	Very low	34.3	Very low	118 Å²	118	137.1 Å²	137.1	83%	0.825	78%	0.776	S	S	*	*			trans	-122.7	159.2	-168.4	-44.7	0	0	0	0	114.3
445	S	36.8	Very low	34.4	Very low	113 Å²	113	133.1 Å²	133.1	79%	0.79	78%	0.778	S	S	*	*			trans	-161.8	117.1	157.9	50.5	0	0	0	0	110
446	S	35	Very low	34.5	Very low	121 Å²	121	132.7 Å²	132.7	85%	0.846	78%	0.781	S	S	*	*				68.5	125.4	95.5	-160.5	0	0	0	0	113.1
447	S	34.2	Very low	34.6	Very low	113 Å²	113	132 Å²	132	79%	0.79	78%	0.784	S	S	*	*			cis	-166.5	156.8	29.6	175.8	0	0	0	0	109.8
448	A	35.6	Very low	34.8	Very low	78 Å²	78	132.5 Å²	132.5	65%	0.645	79%	0.794	S	S	*	*			cis	-160	-98.6	-19.1	0	0	0	0	0	113.1
449	Y	30.8	Very low	34.6	Very low	223 Å²	223	129 Å²	129	88%	0.875	79%	0.794	S	S	*	*			trans	-158.1	-178.5	-159.2	-81.5	-81	0	0	0	112.3
450	P	40.3	Very low	34.7	Very low	129 Å²	129	127.5 Å²	127.5	84%	0.838	80%	0.801	S	S	*	*			cis	-118.3	-172.8	-8.4	22.9	1.4	0	0	0	112.1
451	G	35.5	Very low	34.7	Very low	74 Å²	74	127.7 Å²	127.7	76%	0.763	81%	0.806	S	S	*	*			cis	164	-178.7	5.7	0	0	0	0	0	107.6
452	S	33.7	Very low	34.2	Very low	115 Å²	115	129 Å²	129	80%	0.804	81%	0.808	S	S	*	*			cis	-164.1	-178.4	-8	-167.6	0	0	0	0	109.1
453	L	35.6	Very low	34.1	Very low	154 Å²	154	127.8 Å²	127.8	81%	0.806	81%	0.807	S	S	*	*			trans	70.8	100	178.4	-56.3	163.4	0	0	0	114.9
454	M	32.1	Very low	33.6	Very low	193 Å²	193	126 Å²	126	95%	0.951	80%	0.798	S	S	*	*				87.9	123.9	63.2	-83.5	-154.8	161.1	0	0	115.4
455	G	35.3	Very low	33.5	Very low	74 Å²	74	131.3 Å²	131.3	76%	0.763	80%	0.801	S	S	*	*			trans	168.1	59.7	177	0	0	0	0	0	116.4
456	T	36.4	Very low	33.3	Very low	125 Å²	125	132.2 Å²	132.2	77%	0.767	80%	0.797	S	S	*	*			trans	2.6	117.5	161.5	49.5	0	0	0	0	119.2
457	L	32.7	Very low	33	Very low	162 Å²	162	133.8 Å²	133.8	85%	0.848	80%	0.796	S	S	*	*				66.3	148.8	85.8	-73.5	173.2	0	0	0	116.1
458	P	38.9	Very low	32.8	Very low	123 Å²	123	139.6 Å²	139.6	80%	0.799	80%	0.801	S	S	*	*			cis	-112.9	-172.8	-17.6	40.9	-27.5	0	0	0	110.9
459	G	30.4	Very low	32.6	Very low	63 Å²	63	141 Å²	141	65%	0.649	80%	0.803	S	S	*	*			cis	116.1	146.6	7	0	0	0	0	0	112.2
460	S	33.7	Very low	32.5	Very low	122 Å²	122	140 Å²	140	85%	0.853	80%	0.803	S	S	*	*			trans	70.7	140	-176.4	-66.8	0	0	0	0	116.6
461	L	32.5	Very low	32.4	Very low	159 Å²	159	139.8 Å²	139.8	83%	0.832	80%	0.802	S	S	*	*			cis	-147.9	140.6	-0.6	-116	166	0	0	0	111
462	L	25.7	Very low	32	Very low	165 Å²	165	144.6 Å²	144.6	86%	0.864	80%	0.804	S	S	*	*			trans	-80.6	133.7	161.8	-86.5	160.6	0	0	0	109.4
463	T	30.8	Very low	32	Very low	130 Å²	130	143.6 Å²	143.6	80%	0.798	80%	0.803	S	S	*	*			trans	-159	136.3	146.3	-75.3	0	0	0	0	109.8
464	S	27.5	Very low	31.9	Very low	92 Å²	92	141.8 Å²	141.8	64%	0.643	80%	0.799	S	S	*	*			trans	-62	151.1	174.5	176.6	0	0	0	0	112.6
465	Y	30.6	Very low	31.7	Very low	229 Å²	229	136.3 Å²	136.3	90%	0.898	78%	0.784	S	S	*	*			trans	-156.7	147.1	131.4	-107.8	-68.9	0	0	0	112.6
466	N	31.4	Very low	31.7	Very low	132 Å²	132	139 Å²	139	71%	0.706	79%	0.788	S	S	*	*			trans	-86.2	158.4	176.9	-88.2	-56.6	0	0	0	112.8
467	N	30.2	Very low	31.3	Very low	154 Å²	154	138.7 Å²	138.7	82%	0.824	79%	0.786	S	S	*	*			trans	76.2	158.4	157.8	-67.1	-34.6	0	0	0	120.3
468	R	29.5	Very low	31.3	Very low	236 Å²	236	139.7 Å²	139.7	89%	0.891	79%	0.787	S	S	*	*			trans	81.6	148.9	167.1	-85.9	179.9	178.9	-92.4	-2.3	116.6
469	P	31.4	Very low	30.8	Very low	106 Å²	106	137.7 Å²	137.7	69%	0.688	78%	0.781	S	S	*	*				-133.5	-171.3	-109.9	42.7	-26.8	0	0	0	115.3
470	F	27.7	Very low	30.9	Very low	202 Å²	202	142.6 Å²	142.6	89%	0.886	79%	0.79	S	S	*	*			trans	-39	129.5	173.9	-78.8	-91.9	0	0	0	114.9
471	P	38.2	Very low	30.7	Very low	125 Å²	125	142.3 Å²	142.3	81%	0.812	78%	0.783	S	S	*	*			trans	-77.5	130.3	161.5	31.8	-31.4	0	0	0	110.3
472	H	27.7	Very low	30.6	Very low	175 Å²	175	140 Å²	140	81%	0.81	78%	0.78	S	S	*	*			trans	-100	120.7	174.9	-176.8	-75.6	0	0	0	110.1
473	A	33.1	Very low	31	Very low	94 Å²	94	135.8 Å²	135.8	78%	0.777	78%	0.777	S	S	*	*			trans	-132.8	89.6	171.5	0	0	0	0	0	108.2
474	T	33.1	Very low	30.9	Very low	117 Å²	117	138.8 Å²	138.8	72%	0.718	78%	0.782	S	S	*	*				74.6	106.2	92.4	-59.5	0	0	0	0	112.1
475	A	29.5	Very low	31.2	Very low	78 Å²	78	141.3 Å²	141.3	65%	0.645	79%	0.794	S	S	*	*			trans	-76.3	-177.2	176.8	0	0	0	0	0	112.3
476	P	33.9	Very low	31.1	Very low	130 Å²	130	137.8 Å²	137.8	84%	0.844	79%	0.79	S	S	*	*				-132.2	134	103.8	36.1	-29.1	0	0	0	114.4
477	T	29.6	Very low	30.8	Very low	118 Å²	118	137.6 Å²	137.6	72%	0.724	79%	0.793	S	S	*	*			trans	-74.4	137.2	161.5	-57.5	0	0	0	0	109.7
478	Q	31.5	Very low	30.8	Very low	184 Å²	184	136.1 Å²	136.1	86%	0.86	80%	0.795	S	S	*	*			trans	-128.6	133.2	148.7	-70.6	-165.2	8.6	0	0	108.9
479	A	28.3	Very low	30.8	Very low	81 Å²	81	129.3 Å²	129.3	67%	0.669	79%	0.789	S	S	*	*			trans	-126.1	131.5	179.5	0	0	0	0	0	109.1
480	I	32	Very low	31	Very low	166 Å²	166	129.8 Å²	129.8	85%	0.851	79%	0.792	S	S	*	*			trans	-130.9	79.8	169.2	-55.9	-176.3	0	0	0	108.7
481	T	30.4	Very low	31	Very low	116 Å²	116	127.1 Å²	127.1	71%	0.712	79%	0.792	S	S	*	*			trans	17.6	116.3	133.3	-58.8	0	0	0	0	119.2
482	S	31.2	Very low	30.8	Very low	110 Å²	110	128.7 Å²	128.7	77%	0.769	79%	0.793	S	S	*	*			trans	51.6	130.6	145	73.1	0	0	0	0	122.2
483	G	33.8	Very low	30.9	Very low	77 Å²	77	123.8 Å²	123.8	79%	0.794	79%	0.789	S	S	*	*			trans	-148	95.3	149.2	0	0	0	0	0	110.2
484	Q	28.9	Very low	31	Very low	192 Å²	192	124.9 Å²	124.9	90%	0.897	79%	0.791	S	S	*	*			trans	-89.5	141.3	165.4	-69.9	-170.8	7.7	0	0	109.2
485	T	32.5	Very low	30.8	Very low	146 Å²	146	127.4 Å²	127.4	90%	0.896	80%	0.795	S	S	*	*			trans	-155.7	161.1	157.8	-16.4	0	0	0	0	110.3
486	L	28.4	Very low	30.9	Very low	155 Å²	155	130.7 Å²	130.7	81%	0.812	81%	0.807	S	S	*	*			trans	-102.2	152.4	-156.3	-71.5	160.6	0	0	0	114.7
487	V	26.7	Very low	30.7	Very low	128 Å²	128	129.4 Å²	129.4	78%	0.776	80%	0.796	S	S	*	*			trans	18.9	116	139.5	-173.9	0	0	0	0	117.6
488	S	30.3	Very low	30.9	Very low	123 Å²	123	129.9 Å²	129.9	86%	0.86	80%	0.8	S	S	*	*			trans	-165	140.1	130.7	-85.3	0	0	0	0	111.1
489	A	28.5	Very low	31	Very low	92 Å²	92	126.2 Å²	126.2	76%	0.76	79%	0.794	S	S	*	*			trans	-124.6	135.2	176.2	0	0	0	0	0	110.3
490	P	36.5	Very low	31.4	Very low	117 Å²	117	131 Å²	131	76%	0.76	80%	0.802	S	S	*	*			trans	-98.3	108.2	166.1	33	-26.3	0	0	0	110.6	L492	P490-L492 PolarHBondContact O-N 3.21Å
491	V	27.7	Very low	31.7	Very low	146 Å²	146	128.9 Å²	128.9	89%	0.885	80%	0.8	S	S	*	*			trans	-81.3	111.2	158.7	173.1	0	0	0	0	107.4
492	L	34.2	Very low	32	Very low	158 Å²	158	128.3 Å²	128.3	83%	0.827	80%	0.798	S	S	*	*			trans	-145.7	108.1	173.6	-109.3	148.9	0	0	0	109.3	P490	P490-L492 PolarHBondContact O-N 3.21Å
493	G	28	Very low	32.2	Very low	72 Å²	72	130.1 Å²	130.1	74%	0.742	80%	0.798	S	S	*	*			trans	-101.4	135.5	173.9	0	0	0	0	0	110.8
494	S	35.7	Very low	32.2	Very low	117 Å²	117	130.2 Å²	130.2	82%	0.818	79%	0.787	S	S	*	*			trans	-132.1	132.4	167.3	-75	0	0	0	0	109.1
495	Q	28.4	Very low	32.5	Very low	170 Å²	170	127 Å²	127	79%	0.794	77%	0.772	S	S	*	*			trans	-95.6	147.6	175.9	-65.3	-179.6	64.6	0	0	110.4
496	T	32.4	Very low	32.7	Very low	147 Å²	147	125.2 Å²	125.2	90%	0.902	76%	0.755	S	S	*	*			trans	-140.7	131.4	157.7	-31.4	0	0	0	0	108.9
497	V	30.8	Very low	33.2	Very low	102 Å²	102	124 Å²	124	62%	0.618	76%	0.755	S	S	*	*			trans	-138.7	127.7	-171.1	174.9	0	0	0	0	109.8
498	T	32.7	Very low	33.5	Very low	129 Å²	129	121.3 Å²	121.3	79%	0.791	75%	0.747	S	S	*	*			trans	167.1	148.7	157	-177.3	0	0	0	0	109
499	S	32.6	Very low	33.7	Very low	106 Å²	106	122.9 Å²	122.9	74%	0.741	74%	0.739	S	S	*	*			cis	-161.7	172.2	-34.1	52.4	0	0	0	0	108.7
500	Q	37.4	Very low	34.1	Very low	181 Å²	181	123.3 Å²	123.3	85%	0.846	74%	0.742	S	S	*	*			trans	-119.3	156.3	170.5	-82.2	-167.4	-14.7	0	0	110.9
501	P	39.1	Very low	34.2	Very low	123 Å²	123	122.8 Å²	122.8	80%	0.799	74%	0.741	S	S	*	*			trans	-118.1	162.1	145.1	0.2	21.8	0	0	0	113.8
502	P	37.2	Very low	34.5	Very low	104 Å²	104	123.8 Å²	123.8	68%	0.675	74%	0.736	S	S	*	*			trans	-133.8	167.3	-159.4	41.7	-24.5	0	0	0	118
503	L	33.7	Very low	35	Very low	147 Å²	147	121.5 Å²	121.5	77%	0.77	73%	0.73	S	S	*	*			trans	49.5	120.3	145.5	-68.7	166.7	0	0	0	121.2
504	S	33.7	Very low	35.4	Very low	79 Å²	79	124.2 Å²	124.2	55%	0.552	73%	0.733	S	S	*	*				156.8	170.6	92.4	58.6	0	0	0	0	118.4	R969	S504-R969 VanDerWaalsContact CB-NH2 3.3Å; S504-R969 PolarHBondContact OG-NH1 2.6Å
505	H	36.9	Very low	35.5	Very low	125 Å²	125	123.2 Å²	123.2	58%	0.579	73%	0.726	S	S	*	*			trans	86	146.3	161.5	-83.4	-77.5	0	0	0	122	R969	H505-R969 PolarHBondContact CD2-NH1 3.05Å; H505-R969 VanDerWaalsContact NE2-CD 3.32Å; H505-R969 WeakPolarHBondContact NE2-CD 3.44Å; H505-R969 PolarHBondContact NE2-NH1 3.07Å
506	M	36.3	Very low	36	Very low	109 Å²	109	121.7 Å²	121.7	54%	0.537	73%	0.728	S	S	.	*			trans	-135.7	160.7	168	-62.7	-128.3	70.7	0	0	108	T966	M506-T966 PolarHBondContact SD-OG1 3.14Å
507	P	38	Very low	36.2	Very low	128 Å²	128	118.9 Å²	118.9	83%	0.831	71%	0.714	S	S	*	*				-141.8	-160.2	120.8	38.1	-22.9	0	0	0	113
508	A	34.5	Very low	36.6	Very low	73 Å²	73	122.3 Å²	122.3	60%	0.603	72%	0.724	S	S	*	*			trans	-142.9	167.2	-159.3	0	0	0	0	0	117.7
509	K	33.4	Very low	36.8	Very low	156 Å²	156	123.9 Å²	123.9	68%	0.678	73%	0.725	S	S	*	*			trans	69.6	106.7	158.7	-82.2	-171.6	171.1	-179.1	0	122.7	S962 S963	K509-S962 VanDerWaalsContact CE-O 3.29Å; K509-S962 WeakPolarHBondContact CE-O 3.4Å; K509-S962 PolarHBondContact NZ-O 3.19Å; K509-S963 WeakPolarHBondContact CE-O 3.39Å; K509-S963 PolarHBondContact NZ-O 2.8Å
510	A	37.3	Very low	37.2	Very low	100 Å²	100	124.8 Å²	124.8	83%	0.826	73%	0.728	S	S	*	*			trans	-161.2	161.8	154.9	0	0	0	0	0	107.4
511	S	38	Very low	37.2	Very low	107 Å²	107	121.2 Å²	121.2	75%	0.748	72%	0.724	S	S	*	*			cis	-162.5	-174.6	-17.9	53.1	0	0	0	0	109.6
512	H	34.1	Very low	37	Very low	166 Å²	166	126.6 Å²	126.6	77%	0.769	73%	0.728	S	S	*	*			trans	-146.2	176.8	176	-75.9	-61	0	0	0	108.9
513	P	44	Very low	37.1	Very low	110 Å²	110	129.1 Å²	129.1	71%	0.714	74%	0.735	S	S	*	*			cis	-138.9	174.9	7.5	37	-15.2	0	0	0	118.1
514	T	37.3	Very low	37.4	Very low	130 Å²	130	129 Å²	129	80%	0.798	73%	0.734	S	S	*	*			trans	43.6	132.3	138.1	-53.3	0	0	0	0	121.2
515	S	37.9	Very low	37.5	Very low	96 Å²	96	131.1 Å²	131.1	67%	0.671	75%	0.749	S	S	*	*				-177.8	152.7	75.6	-151.7	0	0	0	0	116.3
516	V	38.5	Very low	37.6	Very low	137 Å²	137	128.7 Å²	128.7	83%	0.83	76%	0.757	S	S	*	*			trans	49.7	143.4	139.4	160.9	0	0	0	0	121.1
517	S	37.4	Very low	37.9	Very low	89 Å²	89	131.5 Å²	131.5	62%	0.622	77%	0.769	S	S	*	*			cis	-173.8	175.9	-15.6	-171.9	0	0	0	0	111.3
518	Q	39.3	Very low	37.7	Very low	174 Å²	174	131.8 Å²	131.8	81%	0.813	76%	0.763	S	S	*	*			trans	73.9	104.6	154.3	-80.3	150	6.2	0	0	124.2
519	I	36.5	Very low	38.1	Very low	162 Å²	162	136.6 Å²	136.6	83%	0.831	77%	0.772	S	S	*	*			trans	-32.4	169.6	132.2	27.3	170	0	0	0	116.4
520	P	40.6	Very low	38.6	Very low	124 Å²	124	136.8 Å²	136.8	81%	0.805	78%	0.775	S	S	*	*			cis	-136.5	-159.2	15.1	36.5	-13	0	0	0	116
521	S	37.4	Very low	39	Very low	107 Å²	107	137 Å²	137	75%	0.748	77%	0.769	S	S	*	*			trans	-125.7	159.6	-169.3	45.2	0	0	0	0	115.3
522	R	35.5	Very low	39.1	Very low	235 Å²	235	141.1 Å²	141.1	89%	0.887	78%	0.775	S	S	*	*			trans	166.6	177.1	139.6	-95.2	177.1	-173.6	-132.4	1.3	114.1
523	L	38.8	Very low	39.3	Very low	158 Å²	158	137 Å²	137	83%	0.827	77%	0.77	S	S	*	*			trans	81.9	156	175	-50	-179	0	0	0	116.5
524	I	39.4	Very low	39.2	Very low	143 Å²	143	137 Å²	137	73%	0.733	77%	0.77	S	S	*	*				-174.1	148.4	-58.3	-103.1	170.3	0	0	0	107.7
525	S	37.4	Very low	39.4	Very low	124 Å²	124	137.1 Å²	137.1	87%	0.867	77%	0.771	S	S	*	*			trans	63.1	156.4	-179	-64.5	0	0	0	0	115.3
526	G	38.7	Very low	39.4	Very low	74 Å²	74	141.1 Å²	141.1	76%	0.763	78%	0.779	S	S	*	*			cis	176.3	169	-4.5	0	0	0	0	0	108.6
527	H	41.4	Very low	39.6	Very low	169 Å²	169	139.6 Å²	139.6	78%	0.782	77%	0.771	S	S	*	*			cis	-152.1	166.9	-5.2	-164.4	-82.4	0	0	0	108.3	H529	H527-H529 AromaticContact ND1-ND1 3.83Å
528	L	34.2	Very low	39.6	Very low	134 Å²	134	139.4 Å²	139.4	70%	0.702	77%	0.77	S	S	*	*			trans	-105.1	141	175.1	-152.7	82	0	0	0	111.7
529	H	43	Very low	39.5	Very low	173 Å²	173	139.7 Å²	139.7	80%	0.801	77%	0.771	S	S	*	*			trans	-146.5	152.5	161	-94.3	103.3	0	0	0	110.9	H527	H527-H529 AromaticContact ND1-ND1 3.83Å
530	H	44.1	Very low	39.5	Very low	161 Å²	161	136.7 Å²	136.7	75%	0.745	76%	0.764	S	S	*	*			trans	-103.7	-175.2	-177.5	-90.4	41.3	0	0	0	110.2
531	P	46	Very low	39.3	Very low	105 Å²	105	135 Å²	135	68%	0.682	76%	0.756	S	S	*	*				-135.2	176.7	-55.7	40.1	-25.3	0	0	0	111.8
532	H	39.1	Very low	39.2	Very low	193 Å²	193	137.9 Å²	137.9	89%	0.894	76%	0.755	S	S	*	*			trans	-169.3	163.4	137.4	-122.8	-96	0	0	0	113.7
533	A	38.1	Very low	39.4	Very low	79 Å²	79	135.5 Å²	135.5	65%	0.653	75%	0.754	S	S	*	*			trans	-119.8	178.3	170.7	0	0	0	0	0	108.6
534	P	43.4	Very low	39.3	Very low	109 Å²	109	135.2 Å²	135.2	71%	0.708	75%	0.748	S	S	*	*			cis	-147.2	-159.8	16.1	39.8	-15.6	0	0	0	117
535	T	40.2	Very low	39.2	Very low	134 Å²	134	134.2 Å²	134.2	82%	0.822	75%	0.754	S	S	*	*			trans	86.1	139.1	152.1	21.4	0	0	0	0	123.3
536	H	39.2	Very low	39.2	Very low	180 Å²	180	134.7 Å²	134.7	83%	0.833	75%	0.747	S	S	*	*			trans	-83.1	-179.5	165.6	-94.2	-92.2	0	0	0	110.7
537	P	42.5	Very low	39.3	Very low	105 Å²	105	140.4 Å²	140.4	68%	0.682	75%	0.753	S	S	*	*			cis	-144.1	163.8	16.9	43.1	-23.9	0	0	0	119.9
538	S	36	Very low	39.3	Very low	84 Å²	84	137.6 Å²	137.6	59%	0.587	75%	0.75	S	S	*	*			trans	54.2	149.2	136.8	75	0	0	0	0	125.2
539	Q	38.7	Very low	39.4	Very low	181 Å²	181	138 Å²	138	85%	0.846	75%	0.752	S	S	*	*			trans	76.8	148.6	161.4	-60.6	-176.2	77.5	0	0	117.5
540	S	36.1	Very low	39.5	Very low	98 Å²	98	135.8 Å²	135.8	69%	0.685	75%	0.753	S	S	*	*			cis	-170.1	138.7	-21.4	53.8	0	0	0	0	114.8
541	S	36.4	Very low	39.1	Very low	90 Å²	90	136.1 Å²	136.1	63%	0.629	76%	0.755	S	S	*	*			trans	73.8	159.6	143.4	-146.9	0	0	0	0	123.8
542	F	35.4	Very low	39.2	Very low	166 Å²	166	136.9 Å²	136.9	73%	0.728	76%	0.76	S	S	*	*			trans	61.4	128.6	166.1	-54.8	-66.2	0	0	0	119.1
543	H	39.8	Very low	39.1	Very low	186 Å²	186	131.1 Å²	131.1	86%	0.861	75%	0.753	S	S	*	*				-147.5	-179.3	54.9	-110.3	-91	0	0	0	115.5
544	Q	36.2	Very low	39.1	Very low	152 Å²	152	133.2 Å²	133.2	71%	0.71	76%	0.763	S	S	*	*			trans	-112.3	161.3	-168.4	-59.3	170.5	-15.5	0	0	114.7
545	S	37.8	Very low	38.6	Very low	122 Å²	122	135.7 Å²	135.7	85%	0.853	77%	0.765	S	S	*	*			trans	-151.3	158.2	142.8	60.8	0	0	0	0	110.8
546	N	36.6	Very low	38.4	Very low	134 Å²	134	138.3 Å²	138.3	72%	0.717	77%	0.767	S	S	*	*			trans	-119.4	161.3	-163.3	-65.5	-63.3	0	0	0	113.5
547	H	41.6	Very low	38	Very low	194 Å²	194	137.5 Å²	137.5	90%	0.898	76%	0.763	S	S	*	*			trans	-164.8	153.3	133.5	-103.9	-72.4	0	0	0	111.8
548	P	41.2	Very low	38	Very low	109 Å²	109	139.4 Å²	139.4	71%	0.708	77%	0.773	S	S	*	*			trans	-122.2	167.3	-160.1	42.2	-30.6	0	0	0	118.4
549	L	36.7	Very low	37.9	Very low	143 Å²	143	143.4 Å²	143.4	75%	0.749	79%	0.785	S	S	*	*			trans	1.7	155.6	156	-70.6	167.1	0	0	0	122.5
550	P	43.3	Very low	37.8	Very low	127 Å²	127	137.6 Å²	137.6	83%	0.825	77%	0.773	S	S	*	*				-137.6	164.4	105.1	39.2	-30.1	0	0	0	116.3
551	Q	36.9	Very low	38	Very low	167 Å²	167	141.7 Å²	141.7	78%	0.78	78%	0.781	S	S	*	*			trans	-133.2	152.5	166.1	-71.1	-174.2	9.3	0	0	110.9
552	P	48.3	Very low	38	Very low	121 Å²	121	141.9 Å²	141.9	79%	0.786	78%	0.782	S	S	*	*			trans	-106.7	158.3	142.5	37.9	-29.6	0	0	0	110.1
553	G	36.2	Very low	37.9	Very low	73 Å²	73	141 Å²	141	75%	0.753	79%	0.785	S	S	*	*			cis	92.1	123.1	23.9	0	0	0	0	0	110.3
554	S	39.4	Very low	37.5	Very low	122 Å²	122	139 Å²	139	85%	0.853	78%	0.78	S	S	*	*			cis	-151.9	-171.2	2.2	-163.5	0	0	0	0	111.3
555	Q	31.8	Very low	37.7	Very low	162 Å²	162	136.9 Å²	136.9	76%	0.757	78%	0.779	S	S	*	*			trans	-76.9	163.6	-178.8	-57.5	167.5	-14.6	0	0	113.7
556	H	36.4	Very low	37.5	Very low	189 Å²	189	140.5 Å²	140.5	88%	0.875	78%	0.783	S	S	*	*				-171.6	163.2	125.9	-115.3	-100.2	0	0	0	113.4
557	H	31.2	Very low	37.5	Very low	162 Å²	162	137.9 Å²	137.9	75%	0.75	79%	0.787	S	S	*	*			trans	-88.8	161.6	-177.1	-61.5	4.7	0	0	0	114.4
558	V	41.3	Very low	37.1	Very low	146 Å²	146	134.6 Å²	134.6	89%	0.885	79%	0.786	S	S	*	*				-149	149.6	125.2	167.1	0	0	0	0	109.2
559	M	33.9	Very low	36.8	Very low	168 Å²	168	133 Å²	133	83%	0.828	79%	0.789	S	S	*	*			trans	-88	165.2	-179.8	-71.3	170.7	-79.8	0	0	112.6
560	G	36.8	Very low	36.7	Very low	58 Å²	58	132.4 Å²	132.4	60%	0.598	79%	0.791	S	S	*	*			cis	164.5	-143.9	2	0	0	0	0	0	111.2
561	H	41.2	Very low	36.3	Very low	185 Å²	185	133.4 Å²	133.4	86%	0.856	79%	0.789	S	S	*	*			trans	69.6	135.2	174.6	-45.6	-90.1	0	0	0	117.2
562	S	35.9	Very low	36.1	Very low	93 Å²	93	136.2 Å²	136.2	65%	0.65	79%	0.792	S	S	*	*			cis	-178.4	139.6	-37.4	39.9	0	0	0	0	109.6
563	N	32.7	Very low	35.5	Very low	147 Å²	147	139.7 Å²	139.7	79%	0.786	80%	0.798	S	S	*	*			trans	40	142	142.4	-57.5	-20.7	0	0	0	120.2
564	L	32.9	Very low	35.6	Very low	145 Å²	145	145 Å²	145	76%	0.759	80%	0.804	S	S	*	*			cis	-172	-165.1	6.4	-136.8	67.1	0	0	0	105.5
565	P	39.3	Very low	35.5	Very low	108 Å²	108	145.4 Å²	145.4	70%	0.701	80%	0.801	S	S	*	*			cis	-119.6	-177.4	-35.5	22.5	0.3	0	0	0	113.5
566	Q	34.6	Very low	36	Very low	198 Å²	198	147.3 Å²	147.3	93%	0.925	81%	0.807	S	S	*	*			trans	-51	150.7	173.1	-58.7	151.6	-5.2	0	0	115.6
567	G	35.4	Very low	36.1	Very low	79 Å²	79	146.4 Å²	146.4	81%	0.814	80%	0.803	S	S	*	*			trans	-151.2	125.9	162.1	0	0	0	0	0	110.7
568	S	33.6	Very low	37.1	Very low	125 Å²	125	143.1 Å²	143.1	87%	0.874	80%	0.796	S	S	*	*			trans	-88.9	139.9	-174.3	-171.4	0	0	0	0	112.4
569	G	35.9	Very low	37.4	Very low	75 Å²	75	141.2 Å²	141.2	77%	0.773	80%	0.796	S	S	*	*			trans	-163.4	89.7	-178.9	0	0	0	0	0	112.8
570	V	34.2	Very low	38.4	Very low	130 Å²	130	141.2 Å²	141.2	79%	0.788	79%	0.788	S	S	*	*			trans	-81.8	122.5	-178.3	177	0	0	0	0	111.1
571	L	33.5	Very low	39.8	Very low	149 Å²	149	144.6 Å²	144.6	78%	0.78	79%	0.787	S	S	*	*			trans	-164	136.7	144.9	-133.9	67.9	0	0	0	115.6
572	R	34.5	Very low	41.1	Very low	225 Å²	225	139.6 Å²	139.6	85%	0.849	77%	0.772	S	S	*	*			trans	46	107.6	154.3	-75.3	172	-179.4	-149.5	-2.2	120
573	Q	35	Very low	42.8	Very low	194 Å²	194	141 Å²	141	91%	0.907	77%	0.768	S	S	*	*			trans	-63.2	143	153.8	-62.9	173.2	-1.6	0	0	111
574	Q	38.8	Very low	44.6	Very low	186 Å²	186	136.6 Å²	136.6	87%	0.869	75%	0.752	S	S	*	*			trans	-108	134.1	160.4	-73.7	-173.7	-4.8	0	0	109.5
575	T	36.3	Very low	46.4	Very low	129 Å²	129	133.3 Å²	133.3	79%	0.791	73%	0.734	S	S	*	*			trans	-79.2	120.9	-176.6	43.3	0	0	0	0	111.9
576	K	43.2	Very low	47.7	Very low	202 Å²	202	131.1 Å²	131.1	88%	0.878	72%	0.716	S	S	*	*			trans	-93.1	105.7	168.6	-76.4	-177.9	175.8	176.6	0	110	P578	K576-P578 WeakPolarHBondContact O-CD 3.41Å
577	E	37.4	Very low	49.5	Very low	170 Å²	170	125 Å²	125	79%	0.794	70%	0.695	S	S	*	*			trans	-63.8	123	171.1	-77.9	-60.8	128	0	0	111.3
578	P	52.2	Low	51.5	Low	93 Å²	93	124.2 Å²	124.2	60%	0.604	67%	0.672	S	S	*	*			trans	-85.3	123.7	177	32.5	-31.4	0	0	0	111.1	K576 Y580	K576-P578 WeakPolarHBondContact O-CD 3.41Å; P578-Y580 PolarHBondContact O-N 3.09Å
579	A	47.8	Very low	53.3	Low	107 Å²	107	120.6 Å²	120.6	88%	0.884	64%	0.643	S	S	*	*			trans	-61.6	107.5	-179.2	0	0	0	0	0	112.5	H581	A579-H581 PolarHBondContact O-N 3.04Å
580	Y	54.7	Low	54.9	Low	168 Å²	168	122.2 Å²	122.2	66%	0.659	63%	0.626	S	S	*	*			trans	-64.2	121.5	178.3	-103	-98.9	0	0	0	111.7	P578 P582 I585	P578-Y580 PolarHBondContact O-N 3.09Å; Y580-P582 WeakPolarHBondContact O-CD 3.34Å; Y580-I585 HydrophobicContact CD1-CD1 3.98Å; Y580-I585 HydrophobicContact CD1-CG1 4.08Å
581	H	66.6	Low	56.9	Low	128 Å²	128	121.7 Å²	121.7	59%	0.593	62%	0.615	S	S	*	*			trans	-79.8	119.5	178.1	-172.3	54.1	0	0	0	111.2	A579 Q583 A584	A579-H581 PolarHBondContact O-N 3.04Å; H581-Q583 WeakPolarHBondContact NE2-CB 3.29Å; H581-Q583 PolarHBondContact O-N 3.36Å; H581-Q583 VanDerWaalsContact O-N 3.09Å; H581-A584 WeakPolarHBondContact O-CB 3.31Å; H581-A584 PolarHBondContact O-N 2.92Å; H581-A584 VanDerWaalsContact O-N 3.08Å
582	P	69.3	Low	58.8	Low	81 Å²	81	120.6 Å²	120.6	53%	0.526	60%	0.6	S	S	.	*	H	α-helix	trans	-57.2	-32.4	-173.4	-28.5	36.1	0	0	0	114.4	Y580 A584 I585 I586	Y580-P582 WeakPolarHBondContact O-CD 3.34Å; P582-A584 VanDerWaalsContact C-N 3.28Å; P582-A584 PolarHBondContact O-N 2.9Å; P582-I585 WeakPolarHBondContact O-CB 3.45Å; P582-I585 PolarHBondContact O-N 2.93Å; P582-I586 WeakPolarHBondContact O-CG1 3.37Å; P582-I586 PolarHBondContact O-N 3.32Å
583	Q	71.2	Confident	60.2	Low	123 Å²	123	111.1 Å²	111.1	58%	0.575	57%	0.567	S	S	*	*	H	α-helix	trans	-63.8	-33	-178.6	-140.4	70.7	-4.7	0	0	112.8	H581 I586 S587	H581-Q583 WeakPolarHBondContact NE2-CB 3.29Å; H581-Q583 PolarHBondContact O-N 3.36Å; H581-Q583 VanDerWaalsContact O-N 3.09Å; Q583-I586 PolarHBondContact O-N 2.89Å; Q583-S587 PolarHBondContact O-N 2.91Å; Q583-S587 PolarHBondContact O-OG 3.44Å
584	A	70.7	Confident	62	Low	53 Å²	53	110.7 Å²	110.7	44%	0.438	56%	0.557	S	S	.	*	H	α-helix	trans	-67.9	-41.9	176.8	0	0	0	0	0	111.5	H581 P582 I586 S587 D588	H581-A584 WeakPolarHBondContact O-CB 3.31Å; H581-A584 PolarHBondContact O-N 2.92Å; H581-A584 VanDerWaalsContact O-N 3.08Å; P582-A584 VanDerWaalsContact C-N 3.28Å; P582-A584 PolarHBondContact O-N 2.9Å; A584-I586 VanDerWaalsContact C-N 3.29Å; A584-I586 PolarHBondContact O-N 3.28Å; A584-S587 WeakPolarHBondContact CA-OG 3.33Å; A584-S587 PolarHBondContact O-N 3.16Å; A584-S587 PolarHBondContact O-OG 3.41Å; A584-D588 WeakPolarHBondContact O-CB 3.23Å; A584-D588 PolarHBondContact O-N 3.39Å
585	I	70	Confident	63.8	Low	77 Å²	77	106.8 Å²	106.8	40%	0.395	54%	0.539	S	S	.	.	H	α-helix	trans	-61.9	-39	175.4	-54.4	176.9	0	0	0	110.3	Y580 P582 N589	Y580-I585 HydrophobicContact CD1-CD1 3.98Å; Y580-I585 HydrophobicContact CD1-CG1 4.08Å; P582-I585 WeakPolarHBondContact O-CB 3.45Å; P582-I585 PolarHBondContact O-N 2.93Å; I585-N589 WeakPolarHBondContact CG2-ND2 3.47Å; I585-N589 WeakPolarHBondContact O-CB 3.34Å; I585-N589 PolarHBondContact O-N 2.96Å; I585-N589 PolarHBondContact O-ND2 3.29Å
586	I	66.5	Low	65.3	Low	61 Å²	61	107.4 Å²	107.4	31%	0.313	53%	0.527	S	S	.	.	H	α-helix	trans	-68	-40.5	176.5	-66.2	164.5	0	0	0	111.5	P582 Q583 A584 R590	P582-I586 WeakPolarHBondContact O-CG1 3.37Å; P582-I586 PolarHBondContact O-N 3.32Å; Q583-I586 PolarHBondContact O-N 2.89Å; A584-I586 VanDerWaalsContact C-N 3.29Å; A584-I586 PolarHBondContact O-N 3.28Å; I586-R590 WeakPolarHBondContact O-CB 3.24Å; I586-R590 WeakPolarHBondContact O-CG 3.46Å; I586-R590 PolarHBondContact O-N 2.95Å; I586-R590 VanDerWaalsContact O-N 3.12Å
587	S	73	Confident	66.5	Low	70 Å²	70	101 Å²	101	49%	0.49	50%	0.5	S	S	.	.	H	α-helix	trans	-68.1	-43.1	176.2	44.5	0	0	0	0	113.3	Q583 A584 R590 Q591	Q583-S587 PolarHBondContact O-N 2.91Å; Q583-S587 PolarHBondContact O-OG 3.44Å; A584-S587 WeakPolarHBondContact CA-OG 3.33Å; A584-S587 PolarHBondContact O-N 3.16Å; A584-S587 PolarHBondContact O-OG 3.41Å; S587-R590 WeakPolarHBondContact O-CB 3.06Å; S587-R590 PolarHBondContact O-N 2.85Å; S587-Q591 PolarHBondContact O-N 3.1Å
588	D	76.5	Confident	68.2	Low	63 Å²	63	98.4 Å²	98.4	34%	0.337	49%	0.491	S	S	.	.	H	α-helix	trans	-65.3	-46.7	178.4	179.8	24.2	0	0	0	111	A584 R590 Q591 R592	A584-D588 WeakPolarHBondContact O-CB 3.23Å; A584-D588 PolarHBondContact O-N 3.39Å; D588-R590 VanDerWaalsContact C-N 3.25Å; D588-R590 PolarHBondContact O-N 3.27Å; D588-Q591 WeakPolarHBondContact O-CA 3.44Å; D588-Q591 PolarHBondContact O-N 2.92Å; D588-R592 WeakPolarHBondContact O-CG 3.48Å; D588-R592 PolarHBondContact O-N 3.39Å; D588-R592 WeakPolarHBondContact OD1-CG 3.37Å; D588-R592 IonicContact OD1-CZ 3.89Å; D588-R592 IonicContact OD1-NE 2.92Å; D588-R592 PolarHBondContact OD1-NE 3.18Å; D588-R592 IonicContact OD1-NH2 2.75Å; D588-R592 IonicContact OD2-CZ 3.51Å; D588-R592 VanDerWaalsContact OD2-CZ 3.24Å; D588-R592 IonicContact OD2-NE 3.68Å; D588-R592 PolarHBondContact OD2-NE 3.45Å; D588-R592 IonicContact OD2-NH2 3.77Å; D588-R592 PolarHBondContact OD2-NH2 3.44Å
589	N	71.8	Confident	69.1	Low	48 Å²	48	99 Å²	99	26%	0.257	49%	0.488	S	S	.	.	H	α-helix	trans	-57.3	-37.7	173.6	-82.8	-65.1	0	0	0	112.6	I585 T593 Y618	I585-N589 WeakPolarHBondContact CG2-ND2 3.47Å; I585-N589 WeakPolarHBondContact O-CB 3.34Å; I585-N589 PolarHBondContact O-N 2.96Å; I585-N589 PolarHBondContact O-ND2 3.29Å; N589-T593 WeakPolarHBondContact O-CB 3.14Å; N589-T593 PolarHBondContact O-N 2.85Å; N589-T593 PolarHBondContact O-OG1 3.36Å; N589-Y618 HydrophobicContact CB-CE1 4.36Å
590	R	70.4	Confident	69.9	Low	110 Å²	110	98.7 Å²	98.7	42%	0.415	47%	0.467	S	S	.	.	H	α-helix	trans	-66.3	-37.7	173.4	-80.9	174	161.6	170.4	-4.6	112.5	I586 S587 D588 R594 D623	I586-R590 WeakPolarHBondContact O-CB 3.24Å; I586-R590 WeakPolarHBondContact O-CG 3.46Å; I586-R590 PolarHBondContact O-N 2.95Å; I586-R590 VanDerWaalsContact O-N 3.12Å; S587-R590 WeakPolarHBondContact O-CB 3.06Å; S587-R590 PolarHBondContact O-N 2.85Å; D588-R590 VanDerWaalsContact C-N 3.25Å; D588-R590 PolarHBondContact O-N 3.27Å; R590-R594 WeakPolarHBondContact O-CG 3.2Å; R590-R594 PolarHBondContact O-N 2.94Å; R590-D623 IonicContact CZ-OD1 3.79Å; R590-D623 IonicContact NE-OD1 3.45Å; R590-D623 IonicContact NE-OD2 2.86Å; R590-D623 IonicContact NH2-OD1 3.88Å; R590-D623 PolarHBondContact NH2-OD1 3.18Å; R590-D623 IonicContact NH2-OD2 3.86Å
591	Q	75	Confident	70.3	Confident	118 Å²	118	93.6 Å²	93.6	55%	0.551	45%	0.453	S	S	*	.	H	α-helix	trans	-69.2	-48.5	175.9	-177.8	165.3	-20.6	0	0	112.2	S587 D588 T593 R594 Q595	S587-Q591 PolarHBondContact O-N 3.1Å; D588-Q591 WeakPolarHBondContact O-CA 3.44Å; D588-Q591 PolarHBondContact O-N 2.92Å; Q591-T593 VanDerWaalsContact C-N 3.28Å; Q591-T593 PolarHBondContact O-N 2.89Å; Q591-R594 WeakPolarHBondContact O-CB 3.45Å; Q591-R594 PolarHBondContact O-N 3.38Å; Q591-R594 VanDerWaalsContact O-N 3.13Å; Q591-Q595 PolarHBondContact O-N 2.88Å
592	R	74.6	Confident	70.3	Confident	127 Å²	127	98.4 Å²	98.4	48%	0.479	47%	0.466	S	S	.	.	H	α-helix	trans	-60.2	-37.1	174.3	-64	-177.6	-164.3	-139.6	11.7	112	D588 Q595 R596	D588-R592 WeakPolarHBondContact O-CG 3.48Å; D588-R592 PolarHBondContact O-N 3.39Å; D588-R592 WeakPolarHBondContact OD1-CG 3.37Å; D588-R592 IonicContact OD1-CZ 3.89Å; D588-R592 IonicContact OD1-NE 2.92Å; D588-R592 PolarHBondContact OD1-NE 3.18Å; D588-R592 IonicContact OD1-NH2 2.75Å; D588-R592 IonicContact OD2-CZ 3.51Å; D588-R592 VanDerWaalsContact OD2-CZ 3.24Å; D588-R592 IonicContact OD2-NE 3.68Å; D588-R592 PolarHBondContact OD2-NE 3.45Å; D588-R592 IonicContact OD2-NH2 3.77Å; D588-R592 PolarHBondContact OD2-NH2 3.44Å; R592-Q595 PolarHBondContact O-N 2.84Å; R592-R596 WeakPolarHBondContact O-CB 3.38Å; R592-R596 WeakPolarHBondContact O-CG 3.47Å; R592-R596 PolarHBondContact O-N 3.46Å
593	T	64.1	Low	70	Confident	26 Å²	26	100.4 Å²	100.4	16%	0.16	47%	0.472	C	S	.	.	H	α-helix	trans	-65.8	-40.5	174.8	-60.6	0	0	0	0	111.9	N589 Q591 R596 H597	N589-T593 WeakPolarHBondContact O-CB 3.14Å; N589-T593 PolarHBondContact O-N 2.85Å; N589-T593 PolarHBondContact O-OG1 3.36Å; Q591-T593 VanDerWaalsContact C-N 3.28Å; Q591-T593 PolarHBondContact O-N 2.89Å; T593-R596 PolarHBondContact O-N 3.27Å; T593-H597 WeakPolarHBondContact O-CB 3.08Å; T593-H597 PolarHBondContact O-N 3.44Å; T593-H597 PolarHBondContact O-ND1 3.02Å
594	R	71.3	Confident	69.6	Low	184 Å²	184	96 Å²	96	69%	0.694	45%	0.454	S	S	*	.	H	α-helix	trans	-63.5	-42.5	172.9	-73.4	171.3	-178.7	-178.4	0.4	112.4	R590 Q591 H597 L598	R590-R594 WeakPolarHBondContact O-CG 3.2Å; R590-R594 PolarHBondContact O-N 2.94Å; Q591-R594 WeakPolarHBondContact O-CB 3.45Å; Q591-R594 PolarHBondContact O-N 3.38Å; Q591-R594 VanDerWaalsContact O-N 3.13Å; R594-H597 WeakPolarHBondContact O-CB 3.43Å; R594-H597 PolarHBondContact O-N 3.2Å; R594-L598 WeakPolarHBondContact O-CG 3.49Å; R594-L598 PolarHBondContact O-N 3.22Å
595	Q	76.9	Confident	69	Low	105 Å²	105	95 Å²	95	49%	0.491	45%	0.45	S	S	.	.	H	α-helix	trans	-63.4	-43.8	175.7	-72.4	172.8	-30.2	0	0	111.6	Q591 R592 L598 I599	Q591-Q595 PolarHBondContact O-N 2.88Å; R592-Q595 PolarHBondContact O-N 2.84Å; Q595-L598 PolarHBondContact O-N 2.82Å; Q595-I599 WeakPolarHBondContact O-CG1 3.29Å; Q595-I599 PolarHBondContact O-N 3.45Å; Q595-I599 VanDerWaalsContact O-N 3.07Å
596	R	68.6	Low	68.7	Low	142 Å²	142	98.5 Å²	98.5	54%	0.536	48%	0.477	S	S	.	.	H	α-helix	trans	-61.6	-43.5	172.9	-73.8	171.7	174.4	162.4	-3.3	111.9	R592 T593 L598 I599 F600	R592-R596 WeakPolarHBondContact O-CB 3.38Å; R592-R596 WeakPolarHBondContact O-CG 3.47Å; R592-R596 PolarHBondContact O-N 3.46Å; T593-R596 PolarHBondContact O-N 3.27Å; R596-L598 VanDerWaalsContact C-N 3.34Å; R596-L598 PolarHBondContact O-N 2.92Å; R596-I599 PolarHBondContact O-N 2.79Å; R596-F600 VanDerWaalsContact O-CD2 3.26Å; R596-F600 WeakPolarHBondContact O-CD2 3.49Å; R596-F600 PolarHBondContact O-N 3.23Å
597	H	67.2	Low	68.2	Low	66 Å²	66	105.6 Å²	105.6	31%	0.306	51%	0.506	S	S	.	.	H	α-helix	trans	-56	-46.6	172.2	-88.7	43.6	0	0	0	111.7	T593 R594 I599 F600 T601 L615	T593-H597 WeakPolarHBondContact O-CB 3.08Å; T593-H597 PolarHBondContact O-N 3.44Å; T593-H597 PolarHBondContact O-ND1 3.02Å; R594-H597 WeakPolarHBondContact O-CB 3.43Å; R594-H597 PolarHBondContact O-N 3.2Å; H597-I599 VanDerWaalsContact C-N 3.28Å; H597-I599 PolarHBondContact O-N 3.05Å; H597-F600 PolarHBondContact O-N 3.03Å; H597-T601 WeakPolarHBondContact O-CG2 3.47Å; H597-T601 PolarHBondContact O-N 3.36Å; H597-T601 PolarHBondContact O-OG1 3.46Å; H597-T601 VanDerWaalsContact O-OG1 3.1Å; H597-L615 HydrophobicContact CB-CD1 4.29Å; H597-L615 VanDerWaalsContact CD2-CD1 3.4Å; H597-L615 WeakPolarHBondContact CD2-CD1 3.07Å
598	L	73	Confident	67.5	Low	116 Å²	116	105.8 Å²	105.8	61%	0.607	50%	0.504	S	S	*	.	H	α-helix	trans	-63.6	-28.5	178.8	-76.9	162.4	0	0	0	114	R594 Q595 R596 T601	R594-L598 WeakPolarHBondContact O-CG 3.49Å; R594-L598 PolarHBondContact O-N 3.22Å; Q595-L598 PolarHBondContact O-N 2.82Å; R596-L598 VanDerWaalsContact C-N 3.34Å; R596-L598 PolarHBondContact O-N 2.92Å; L598-T601 PolarHBondContact O-OG1 3.48Å
599	I	71.3	Confident	66.4	Low	107 Å²	107	113.6 Å²	113.6	55%	0.549	53%	0.529	S	S	.	.	H	α-helix	trans	-75.7	-50.5	172.4	-65.8	162.9	0	0	0	109.6	Q595 R596 H597 T601 R602 L603	Q595-I599 WeakPolarHBondContact O-CG1 3.29Å; Q595-I599 PolarHBondContact O-N 3.45Å; Q595-I599 VanDerWaalsContact O-N 3.07Å; R596-I599 PolarHBondContact O-N 2.79Å; H597-I599 VanDerWaalsContact C-N 3.28Å; H597-I599 PolarHBondContact O-N 3.05Å; I599-T601 PolarHBondContact O-N 2.96Å; I599-R602 PolarHBondContact O-N 2.91Å; I599-R602 VanDerWaalsContact O-N 3.09Å; I599-L603 HydrophobicContact CG2-CD1 4.48Å; I599-L603 PolarHBondContact O-N 2.9Å
600	F	64.3	Low	65.6	Low	99 Å²	99	116.2 Å²	116.2	43%	0.434	55%	0.548	S	S	.	.	H	α-helix	trans	-65.5	-31.7	-178.7	-80.9	-68	0	0	0	113.5	R596 H597 R602 L603 C604 L615	R596-F600 VanDerWaalsContact O-CD2 3.26Å; R596-F600 WeakPolarHBondContact O-CD2 3.49Å; R596-F600 PolarHBondContact O-N 3.23Å; H597-F600 PolarHBondContact O-N 3.03Å; F600-R602 PolarHBondContact O-N 2.85Å; F600-L603 HydrophobicContact CD1-CD1 3.93Å; F600-L603 HydrophobicContact CE1-CD1 4.2Å; F600-L603 CarbonylContact O-C 3.59Å; F600-L603 WeakPolarHBondContact O-CA 3.36Å; F600-L603 PolarHBondContact O-N 3Å; F600-C604 PolarHBondContact O-N 3.35Å; F600-C604 PolarHBondContact O-SG 3.49Å; F600-L615 HydrophobicContact CB-CD2 3.45Å; F600-L615 VanDerWaalsContact CB-CD2 3.45Å; F600-L615 HydrophobicContact CG-CD2 4.46Å
601	T	65.1	Low	64.9	Low	61 Å²	61	112.4 Å²	112.4	37%	0.374	54%	0.543	S	S	.	.	H	α-helix	trans	-65.9	-17.5	173.5	49	0	0	0	0	113.9	H597 L598 I599 L615	H597-T601 WeakPolarHBondContact O-CG2 3.47Å; H597-T601 PolarHBondContact O-N 3.36Å; H597-T601 PolarHBondContact O-OG1 3.46Å; H597-T601 VanDerWaalsContact O-OG1 3.1Å; L598-T601 PolarHBondContact O-OG1 3.48Å; I599-T601 PolarHBondContact O-N 2.96Å; T601-L615 HydrophobicContact CG2-CD1 3.88Å
602	R	65.2	Low	64.1	Low	229 Å²	229	110.9 Å²	110.9	86%	0.864	54%	0.544	S	S	*	.	H	α-helix	trans	-85.2	-19.6	168.9	-64.2	-171.8	179.3	-152	-0.1	113.3	I599 F600	I599-R602 PolarHBondContact O-N 2.91Å; I599-R602 VanDerWaalsContact O-N 3.09Å; F600-R602 PolarHBondContact O-N 2.85Å
603	L	64.3	Low	63.2	Low	123 Å²	123	112.9 Å²	112.9	64%	0.644	56%	0.558	S	S	*	*	H	α-helix	trans	-88.4	-23.1	174.7	-63.3	171.3	0	0	0	112.1	I599 F600 G605	I599-L603 HydrophobicContact CG2-CD1 4.48Å; I599-L603 PolarHBondContact O-N 2.9Å; F600-L603 HydrophobicContact CD1-CD1 3.93Å; F600-L603 HydrophobicContact CE1-CD1 4.2Å; F600-L603 CarbonylContact O-C 3.59Å; F600-L603 WeakPolarHBondContact O-CA 3.36Å; F600-L603 PolarHBondContact O-N 3Å; L603-G605 VanDerWaalsContact C-N 3.29Å; L603-G605 PolarHBondContact O-N 2.99Å
604	C	61.6	Low	62.9	Low	31 Å²	31	113.5 Å²	113.5	21%	0.209	57%	0.566	C	S	.	*	S	Bend	trans	-68.1	83.3	166.5	-63.5	0	0	0	0	110.6	F600 V608	F600-C604 PolarHBondContact O-N 3.35Å; F600-C604 PolarHBondContact O-SG 3.49Å; C604-V608 HydrophobicContact CB-CB 4.13Å; C604-V608 HydrophobicContact CB-CG1 4.07Å
605	G	58.9	Low	62.3	Low	33 Å²	33	106 Å²	106	34%	0.34	54%	0.539	S	S	.	.			trans	-59	166.3	174.4	0	0	0	0	0	113	L603 K607 V608	L603-G605 VanDerWaalsContact C-N 3.29Å; L603-G605 PolarHBondContact O-N 2.99Å; G605-K607 PolarHBondContact O-N 3.11Å; G605-V608 PolarHBondContact O-N 3.39Å
606	P	62.2	Low	61.3	Low	149 Å²	149	105.5 Å²	105.5	97%	0.968	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-5.9	-163.3	23.2	-35.1	0	0	0	116.9
607	K	57.5	Low	60.8	Low	210 Å²	210	104.1 Å²	104.1	91%	0.913	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-18	172	-63.2	-176.5	179	-179.2	0	113.3	G605	G605-K607 PolarHBondContact O-N 3.11Å
608	V	57.6	Low	60.3	Low	75 Å²	75	107.7 Å²	107.7	46%	0.455	56%	0.555	S	S	.	*	S	Bend	trans	-92	102.5	177.2	-177.9	0	0	0	0	108.6	C604 G605 P610 A614	C604-V608 HydrophobicContact CB-CB 4.13Å; C604-V608 HydrophobicContact CB-CG1 4.07Å; G605-V608 PolarHBondContact O-N 3.39Å; V608-P610 WeakPolarHBondContact O-CD 3.4Å; V608-A614 HydrophobicContact CG1-CB 4.44Å
609	R	53.5	Low	59.5	Low	226 Å²	226	113.2 Å²	113.2	85%	0.853	57%	0.568	S	S	*	*			trans	-59.8	127.1	172.7	-66.9	-174.6	-176.8	179.7	2.2	109	G611	R609-G611 PolarHBondContact O-N 3.13Å
610	P	55.5	Low	59.2	Low	103 Å²	103	112.7 Å²	112.7	67%	0.669	56%	0.563	S	S	*	*			trans	-75.9	57.3	174.3	32.8	-36.1	0	0	0	111	V608	V608-P610 WeakPolarHBondContact O-CD 3.4Å
611	G	56.1	Low	59.2	Low	30 Å²	30	112.7 Å²	112.7	31%	0.309	57%	0.573	S	S	.	*			trans	-74.4	166.8	170.2	0	0	0	0	0	111.3	R609 H613 A614	R609-G611 PolarHBondContact O-N 3.13Å; G611-H613 PolarHBondContact O-N 3.47Å; G611-A614 WeakPolarHBondContact O-CB 3.25Å; G611-A614 PolarHBondContact O-N 3.44Å
612	P	57.7	Low	59.5	Low	87 Å²	87	111.3 Å²	111.3	57%	0.565	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-10.8	-175.9	25	-34.3	0	0	0	114.5	F617	P612-F617 HydrophobicContact CB-CZ 4.38Å; P612-F617 WeakPolarHBondContact O-CE2 3.4Å; P612-F617 VanDerWaalsContact O-CZ 3.26Å; P612-F617 WeakPolarHBondContact O-CZ 3.1Å
613	H	55.6	Low	59.8	Low	169 Å²	169	102.2 Å²	102.2	78%	0.782	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-9.6	178.8	-49.6	-77.5	0	0	0	113.9	G611 L615	G611-H613 PolarHBondContact O-N 3.47Å; H613-L615 PolarHBondContact O-N 3.49Å
614	A	57.9	Low	60.2	Low	38 Å²	38	100 Å²	100	31%	0.314	52%	0.523	S	S	.	.	S	Bend	trans	-84.5	-4.4	-171.7	0	0	0	0	0	114.6	V608 G611	V608-A614 HydrophobicContact CG1-CB 4.44Å; G611-A614 WeakPolarHBondContact O-CB 3.25Å; G611-A614 PolarHBondContact O-N 3.44Å
615	L	58.3	Low	61	Low	26 Å²	26	102.8 Å²	102.8	14%	0.136	54%	0.543	C	S	.	.	S	Bend	trans	-134.4	139.8	-174	-63.5	169.6	0	0	0	110.1	H597 F600 T601 H613 F617	H597-L615 HydrophobicContact CB-CD1 4.29Å; H597-L615 VanDerWaalsContact CD2-CD1 3.4Å; H597-L615 WeakPolarHBondContact CD2-CD1 3.07Å; F600-L615 HydrophobicContact CB-CD2 3.45Å; F600-L615 VanDerWaalsContact CB-CD2 3.45Å; F600-L615 HydrophobicContact CG-CD2 4.46Å; T601-L615 HydrophobicContact CG2-CD1 3.88Å; H613-L615 PolarHBondContact O-N 3.49Å; L615-F617 PolarHBondContact O-N 2.99Å; L615-F617 VanDerWaalsContact O-N 3.14Å
616	P	57	Low	62	Low	95 Å²	95	104.3 Å²	104.3	62%	0.617	55%	0.548	S	S	*	.			trans	-60.8	116.7	-176.4	-26.5	35.4	0	0	0	113.6	Y618	P616-Y618 PolarHBondContact O-N 2.84Å
617	F	57.3	Low	63	Low	113 Å²	113	99.1 Å²	99.1	50%	0.496	51%	0.513	S	S	.	.			trans	-67.4	110.8	171	-81.9	-78.3	0	0	0	110.7	P612 L615 R619	P612-F617 HydrophobicContact CB-CZ 4.38Å; P612-F617 WeakPolarHBondContact O-CE2 3.4Å; P612-F617 VanDerWaalsContact O-CZ 3.26Å; P612-F617 WeakPolarHBondContact O-CZ 3.1Å; L615-F617 PolarHBondContact O-N 2.99Å; L615-F617 VanDerWaalsContact O-N 3.14Å; F617-R619 PolarHBondContact O-N 2.78Å
618	Y	55.6	Low	64.2	Low	141 Å²	141	95.7 Å²	95.7	55%	0.553	49%	0.494	S	S	*	.			trans	-72.5	117.8	166.6	-143.4	-106.7	0	0	0	109	N589 P616 Q620	N589-Y618 HydrophobicContact CB-CE1 4.36Å; P616-Y618 PolarHBondContact O-N 2.84Å; Y618-Q620 PolarHBondContact O-N 3.12Å; Y618-Q620 VanDerWaalsContact O-N 3.09Å
619	R	56.1	Low	65.6	Low	233 Å²	233	95 Å²	95	88%	0.879	50%	0.497	S	S	*	.			trans	-77.8	96.1	-159.9	-71.5	178.5	169.7	-177.7	-3.8	114	F617	F617-R619 PolarHBondContact O-N 2.78Å
620	Q	64.8	Low	67.2	Low	96 Å²	96	89.9 Å²	89.9	45%	0.449	49%	0.485	S	S	.	.			trans	-114.6	134.2	143	-72.5	-82.7	-76.4	0	0	108.1	Y618 S622 D623	Y618-Q620 PolarHBondContact O-N 3.12Å; Y618-Q620 VanDerWaalsContact O-N 3.09Å; Q620-S622 PolarHBondContact O-N 2.81Å; Q620-S622 VanDerWaalsContact O-N 3.11Å; Q620-D623 PolarHBondContact O-N 2.99Å
621	P	66.1	Low	68.7	Low	98 Å²	98	89.6 Å²	89.6	64%	0.636	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-56.3	-29.1	175	-26.2	35.2	0	0	0	112.9	D623 V627	P621-D623 VanDerWaalsContact C-N 3.28Å; P621-D623 PolarHBondContact O-N 3.42Å; P621-V627 VanDerWaalsContact O-CB 3.32Å; P621-V627 WeakPolarHBondContact O-CB 3.46Å; P621-V627 WeakPolarHBondContact O-CG1 3.44Å; P621-V627 WeakPolarHBondContact O-CG2 3.48Å
622	S	70.8	Confident	70.2	Confident	32 Å²	32	90.6 Å²	90.6	22%	0.224	48%	0.477	C	S	.	.	G	3₁₀ helix	trans	-72.2	-9.3	176.6	54	0	0	0	0	115.3	Q620 R628	Q620-S622 PolarHBondContact O-N 2.81Å; Q620-S622 VanDerWaalsContact O-N 3.11Å; S622-R628 WeakPolarHBondContact O-CG 3.34Å
623	D	70.8	Confident	71.8	Confident	39 Å²	39	90.7 Å²	90.7	21%	0.209	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-89.1	-11.7	177	-76.9	-38.3	0	0	0	112.9	R590 Q620 P621 R628	R590-D623 IonicContact CZ-OD1 3.79Å; R590-D623 IonicContact NE-OD1 3.45Å; R590-D623 IonicContact NE-OD2 2.86Å; R590-D623 IonicContact NH2-OD1 3.88Å; R590-D623 PolarHBondContact NH2-OD1 3.18Å; R590-D623 IonicContact NH2-OD2 3.86Å; Q620-D623 PolarHBondContact O-N 2.99Å; P621-D623 VanDerWaalsContact C-N 3.28Å; P621-D623 PolarHBondContact O-N 3.42Å; D623-R628 VanDerWaalsContact O-CZ 3.26Å; D623-R628 PolarHBondContact O-NE 3.36Å; D623-R628 PolarHBondContact O-NH2 3.47Å
624	L	73.5	Confident	73.5	Confident	76 Å²	76	86.3 Å²	86.3	40%	0.398	45%	0.452	S	S	.	.	S	Bend	trans	-61.4	142.1	170.9	-84.4	68.6	0	0	0	111.2	S626 V627 R628	L624-S626 PolarHBondContact O-N 3.45Å; L624-V627 HydrophobicContact CB-CB 4.18Å; L624-V627 HydrophobicContact CB-CG2 3.97Å; L624-V627 HydrophobicContact CD2-CG2 4.49Å; L624-V627 PolarHBondContact O-N 2.88Å; L624-R628 WeakPolarHBondContact O-CG 3.37Å; L624-R628 PolarHBondContact O-N 3.08Å
625	S	77.7	Confident	75.1	Confident	90 Å²	90	92.3 Å²	92.3	63%	0.629	47%	0.466	S	S	*	.	H	α-helix	trans	-62.4	-41.6	178.6	48.4	0	0	0	0	112.5	R628 A629	S625-R628 PolarHBondContact O-N 2.97Å; S625-A629 WeakPolarHBondContact O-CB 3.41Å; S625-A629 PolarHBondContact O-N 3.01Å
626	S	80.7	Confident	76.7	Confident	64 Å²	64	94.5 Å²	94.5	45%	0.448	48%	0.478	S	S	.	.	H	α-helix	trans	-59.5	-49	174.4	51.1	0	0	0	0	112	L624 R628 A629 I630	L624-S626 PolarHBondContact O-N 3.45Å; S626-R628 PolarHBondContact O-N 2.93Å; S626-A629 WeakPolarHBondContact O-CB 3.39Å; S626-A629 PolarHBondContact O-N 3.49Å; S626-I630 WeakPolarHBondContact O-CG1 3.4Å; S626-I630 PolarHBondContact O-N 3.4Å
627	V	82.2	Confident	78.3	Confident	40 Å²	40	95.2 Å²	95.2	24%	0.242	47%	0.473	C	S	.	.	H	α-helix	trans	-66.2	-37.8	179	-177.9	0	0	0	0	111.2	P621 L624 I630 Q631	P621-V627 VanDerWaalsContact O-CB 3.32Å; P621-V627 WeakPolarHBondContact O-CB 3.46Å; P621-V627 WeakPolarHBondContact O-CG1 3.44Å; P621-V627 WeakPolarHBondContact O-CG2 3.48Å; L624-V627 HydrophobicContact CB-CB 4.18Å; L624-V627 HydrophobicContact CB-CG2 3.97Å; L624-V627 HydrophobicContact CD2-CG2 4.49Å; L624-V627 PolarHBondContact O-N 2.88Å; V627-I630 PolarHBondContact O-N 2.7Å; V627-Q631 HydrophobicContact CG1-CG 4.34Å; V627-Q631 WeakPolarHBondContact O-CB 3.23Å; V627-Q631 VanDerWaalsContact O-CG 3.27Å; V627-Q631 WeakPolarHBondContact O-CG 3.2Å; V627-Q631 PolarHBondContact O-N 3.36Å
628	R	82.8	Confident	80	Confident	138 Å²	138	95 Å²	95	52%	0.521	47%	0.472	S	S	.	.	H	α-helix	trans	-64.3	-37.5	172	-73.3	-172.6	-85.5	158.3	-9.4	112.8	S622 D623 L624 S625 S626 S632	S622-R628 WeakPolarHBondContact O-CG 3.34Å; D623-R628 VanDerWaalsContact O-CZ 3.26Å; D623-R628 PolarHBondContact O-NE 3.36Å; D623-R628 PolarHBondContact O-NH2 3.47Å; L624-R628 WeakPolarHBondContact O-CG 3.37Å; L624-R628 PolarHBondContact O-N 3.08Å; S625-R628 PolarHBondContact O-N 2.97Å; S626-R628 PolarHBondContact O-N 2.93Å; R628-S632 VanDerWaalsContact O-CB 3.24Å; R628-S632 WeakPolarHBondContact O-CB 3.42Å; R628-S632 PolarHBondContact O-N 2.96Å
629	A	86.4	Confident	81.8	Confident	62 Å²	62	92.6 Å²	92.6	51%	0.512	46%	0.462	S	S	.	.	H	α-helix	trans	-65.4	-45.7	174.2	0	0	0	0	0	111.6	S625 S626 S632 N633	S625-A629 WeakPolarHBondContact O-CB 3.41Å; S625-A629 PolarHBondContact O-N 3.01Å; S626-A629 WeakPolarHBondContact O-CB 3.39Å; S626-A629 PolarHBondContact O-N 3.49Å; A629-S632 PolarHBondContact O-N 2.86Å; A629-N633 WeakPolarHBondContact O-CB 3.39Å; A629-N633 PolarHBondContact O-N 3.27Å
630	I	88.3	Confident	83.6	Confident	117 Å²	117	84.7 Å²	84.7	60%	0.6	44%	0.441	S	S	*	.	H	α-helix	trans	-60.6	-47.6	175.3	-67.2	163.8	0	0	0	110.7	S626 V627 S632 N633 F634	S626-I630 WeakPolarHBondContact O-CG1 3.4Å; S626-I630 PolarHBondContact O-N 3.4Å; V627-I630 PolarHBondContact O-N 2.7Å; I630-S632 PolarHBondContact O-N 2.7Å; I630-N633 PolarHBondContact O-N 2.93Å; I630-F634 VanDerWaalsContact O-CB 3.26Å; I630-F634 WeakPolarHBondContact O-CB 3.5Å; I630-F634 PolarHBondContact O-N 3.16Å
631	Q	87.5	Confident	85.1	Confident	98 Å²	98	87.6 Å²	87.6	46%	0.458	45%	0.452	S	S	.	.	H	α-helix	trans	-63	-38.4	177.1	-74	179	1.6	0	0	112.6	V627 R635	V627-Q631 HydrophobicContact CG1-CG 4.34Å; V627-Q631 WeakPolarHBondContact O-CB 3.23Å; V627-Q631 VanDerWaalsContact O-CG 3.27Å; V627-Q631 WeakPolarHBondContact O-CG 3.2Å; V627-Q631 PolarHBondContact O-N 3.36Å; Q631-R635 VanDerWaalsContact O-CB 3.22Å; Q631-R635 WeakPolarHBondContact O-CB 3.5Å; Q631-R635 PolarHBondContact O-N 3.46Å
632	S	87.2	Confident	86.4	Confident	51 Å²	51	84.9 Å²	84.9	36%	0.357	43%	0.432	S	S	.	.	H	α-helix	trans	-66.6	-46.6	175.7	-168.9	0	0	0	0	111.3	R628 A629 I630 F634 R635 N636	R628-S632 VanDerWaalsContact O-CB 3.24Å; R628-S632 WeakPolarHBondContact O-CB 3.42Å; R628-S632 PolarHBondContact O-N 2.96Å; A629-S632 PolarHBondContact O-N 2.86Å; I630-S632 PolarHBondContact O-N 2.7Å; S632-F634 PolarHBondContact O-N 2.86Å; S632-R635 PolarHBondContact O-N 3.26Å; S632-N636 VanDerWaalsContact O-CB 3.26Å; S632-N636 WeakPolarHBondContact O-CB 3.21Å; S632-N636 PolarHBondContact O-N 3.32Å; S632-N636 PolarHBondContact O-ND2 3.48Å; S632-N636 PolarHBondContact O-OD1 2.94Å; S632-N636 PolarHBondContact OG-ND2 2.85Å; S632-N636 VanDerWaalsContact OG-ND2 3.1Å
633	N	91.1	Very high	87.5	Confident	89 Å²	89	85.8 Å²	85.8	48%	0.476	44%	0.436	S	S	.	.	H	α-helix	trans	-61.3	-46.1	176.2	-168.7	-5.2	0	0	0	111.2	A629 I630 R635 N636 H637 F638	A629-N633 WeakPolarHBondContact O-CB 3.39Å; A629-N633 PolarHBondContact O-N 3.27Å; I630-N633 PolarHBondContact O-N 2.93Å; N633-R635 PolarHBondContact O-N 2.77Å; N633-N636 PolarHBondContact O-N 2.87Å; N633-H637 WeakPolarHBondContact O-CB 3.44Å; N633-H637 PolarHBondContact O-N 3.4Å; N633-H637 PolarHBondContact OD1-ND1 3.36Å; N633-F638 PolarHBondContact O-N 2.85Å
634	F	91.3	Very high	88.7	Confident	77 Å²	77	88.2 Å²	88.2	34%	0.338	45%	0.452	S	S	.	.	I	π-helix	trans	-58	-47.6	174.2	-179.6	-91.3	0	0	0	111.9	L370 I630 S632 F638 R639	L370-F634 HydrophobicContact CD1-CE1 3.85Å; L370-F634 HydrophobicContact CD1-CZ 4.26Å; L370-F634 HydrophobicContact CD2-CE1 3.82Å; L370-F634 HydrophobicContact CD2-CZ 3.66Å; L370-F634 HydrophobicContact CG-CE1 4.44Å; I630-F634 VanDerWaalsContact O-CB 3.26Å; I630-F634 WeakPolarHBondContact O-CB 3.5Å; I630-F634 PolarHBondContact O-N 3.16Å; S632-F634 PolarHBondContact O-N 2.86Å; F634-F638 HydrophobicContact CD2-CB 4.31Å; F634-F638 AromaticContact CD2-CD1 3.61Å; F634-F638 HydrophobicContact CD2-CD1 3.61Å; F634-F638 HydrophobicContact CD2-CE1 4.32Å; F634-F638 HydrophobicContact CD2-CG 4.29Å; F634-F638 AromaticContact CE2-CD1 3.43Å; F634-F638 HydrophobicContact CE2-CD1 3.43Å; F634-F638 VanDerWaalsContact CE2-CD1 3.43Å; F634-F638 AromaticContact CE2-CE1 3.8Å; F634-F638 HydrophobicContact CE2-CE1 3.8Å; F634-F638 HydrophobicContact CE2-CG 4.49Å; F634-F638 HydrophobicContact CZ-CD1 4.3Å; F634-F638 PolarHBondContact O-N 3.22Å; F634-R639 VanDerWaalsContact O-CB 3.28Å; F634-R639 WeakPolarHBondContact O-CB 3.34Å; F634-R639 PolarHBondContact O-N 3.44Å
635	R	91.6	Very high	89.7	Confident	164 Å²	164	90.4 Å²	90.4	62%	0.619	46%	0.456	S	S	*	.	I	π-helix	trans	-68.8	-40.3	-178	-172.2	-179	72.1	175.9	3.2	113	Q631 S632 N633	Q631-R635 VanDerWaalsContact O-CB 3.22Å; Q631-R635 WeakPolarHBondContact O-CB 3.5Å; Q631-R635 PolarHBondContact O-N 3.46Å; S632-R635 PolarHBondContact O-N 3.26Å; N633-R635 PolarHBondContact O-N 2.77Å
636	N	91.5	Very high	90.6	Very high	72 Å²	72	89 Å²	89	39%	0.385	44%	0.441	S	S	.	.	I	π-helix	trans	-95.3	-32.8	-167.6	-52.5	-12.4	0	0	0	112.6	S632 N633 P640	S632-N636 VanDerWaalsContact O-CB 3.26Å; S632-N636 WeakPolarHBondContact O-CB 3.21Å; S632-N636 PolarHBondContact O-N 3.32Å; S632-N636 PolarHBondContact O-ND2 3.48Å; S632-N636 PolarHBondContact O-OD1 2.94Å; S632-N636 PolarHBondContact OG-ND2 2.85Å; S632-N636 VanDerWaalsContact OG-ND2 3.1Å; N633-N636 PolarHBondContact O-N 2.87Å; N636-P640 WeakPolarHBondContact O-CG 3.3Å
637	H	91.5	Very high	91.3	Very high	110 Å²	110	93.7 Å²	93.7	51%	0.509	45%	0.449	S	S	.	.	I	π-helix	trans	-111.7	-44.5	-176.7	-49.1	126.5	0	0	0	113.4	N633 K641	N633-H637 WeakPolarHBondContact O-CB 3.44Å; N633-H637 PolarHBondContact O-N 3.4Å; N633-H637 PolarHBondContact OD1-ND1 3.36Å; H637-K641 WeakPolarHBondContact O-CD 3.4Å; H637-K641 WeakPolarHBondContact O-CG 3.4Å
638	F	92.9	Very high	91.9	Very high	107 Å²	107	100.7 Å²	100.7	47%	0.469	47%	0.471	S	S	.	.	I	π-helix	trans	-80.6	-49.9	-175.6	-173.1	-100.3	0	0	0	112.7	N633 F634 K641 L642	N633-F638 PolarHBondContact O-N 2.85Å; F634-F638 HydrophobicContact CD2-CB 4.31Å; F634-F638 AromaticContact CD2-CD1 3.61Å; F634-F638 HydrophobicContact CD2-CD1 3.61Å; F634-F638 HydrophobicContact CD2-CE1 4.32Å; F634-F638 HydrophobicContact CD2-CG 4.29Å; F634-F638 AromaticContact CE2-CD1 3.43Å; F634-F638 HydrophobicContact CE2-CD1 3.43Å; F634-F638 VanDerWaalsContact CE2-CD1 3.43Å; F634-F638 AromaticContact CE2-CE1 3.8Å; F634-F638 HydrophobicContact CE2-CE1 3.8Å; F634-F638 HydrophobicContact CE2-CG 4.49Å; F634-F638 HydrophobicContact CZ-CD1 4.3Å; F634-F638 PolarHBondContact O-N 3.22Å; F638-K641 PolarHBondContact O-N 3.12Å; F638-K641 VanDerWaalsContact O-N 3.1Å; F638-L642 HydrophobicContact CD1-CB 4.38Å; F638-L642 HydrophobicContact CD1-CD2 4.5Å; F638-L642 HydrophobicContact CE1-CB 4.2Å; F638-L642 HydrophobicContact CE1-CD2 3.96Å; F638-L642 HydrophobicContact CE1-CG 4.45Å; F638-L642 WeakPolarHBondContact O-CB 3.49Å; F638-L642 PolarHBondContact O-N 2.86Å
639	R	93.3	Very high	92.4	Very high	92 Å²	92	99.4 Å²	99.4	35%	0.347	47%	0.466	S	S	.	.	H	α-helix	trans	-55.4	-42.9	-177.7	-179	-179.8	179.9	159.1	4.5	112.9	L370 F634 L642 V643	L370-R639 HydrophobicContact CD1-CG 4.14Å; F634-R639 VanDerWaalsContact O-CB 3.28Å; F634-R639 WeakPolarHBondContact O-CB 3.34Å; F634-R639 PolarHBondContact O-N 3.44Å; R639-L642 PolarHBondContact O-N 3.29Å; R639-V643 HydrophobicContact CG-CG2 4.36Å; R639-V643 WeakPolarHBondContact O-CB 3.45Å; R639-V643 VanDerWaalsContact O-CG2 3.29Å; R639-V643 WeakPolarHBondContact O-CG2 3.45Å; R639-V643 PolarHBondContact O-N 2.88Å
640	P	94.1	Very high	92.7	Very high	67 Å²	67	102.5 Å²	102.5	44%	0.435	47%	0.473	S	S	.	.	H	α-helix	trans	-63.2	-44.5	175.4	-24.2	36.5	0	0	0	112.6	N636 V643 V644	N636-P640 WeakPolarHBondContact O-CG 3.3Å; P640-V643 PolarHBondContact O-N 2.59Å; P640-V644 WeakPolarHBondContact O-CG2 3.45Å; P640-V644 PolarHBondContact O-N 3.09Å
641	K	94.8	Very high	93.1	Very high	156 Å²	156	104.8 Å²	104.8	68%	0.678	48%	0.475	S	S	*	.	H	α-helix	trans	-61.1	-45.5	176.4	-67.8	178.3	-178.8	-176.3	0	111.4	H637 F638 V644 Y645	H637-K641 WeakPolarHBondContact O-CD 3.4Å; H637-K641 WeakPolarHBondContact O-CG 3.4Å; F638-K641 PolarHBondContact O-N 3.12Å; F638-K641 VanDerWaalsContact O-N 3.1Å; K641-V644 PolarHBondContact O-N 2.96Å; K641-Y645 WeakPolarHBondContact O-CB 3.34Å; K641-Y645 PolarHBondContact O-N 3.25Å
642	L	94.9	Very high	93.3	Very high	42 Å²	42	103.1 Å²	103.1	22%	0.22	48%	0.478	C	S	.	.	H	α-helix	trans	-61.1	-46.2	176.8	-178.8	67.3	0	0	0	112	F369 F638 R639 V644 Y645 L646	F369-L642 HydrophobicContact CE1-CD2 4.43Å; F638-L642 HydrophobicContact CD1-CB 4.38Å; F638-L642 HydrophobicContact CD1-CD2 4.5Å; F638-L642 HydrophobicContact CE1-CB 4.2Å; F638-L642 HydrophobicContact CE1-CD2 3.96Å; F638-L642 HydrophobicContact CE1-CG 4.45Å; F638-L642 WeakPolarHBondContact O-CB 3.49Å; F638-L642 PolarHBondContact O-N 2.86Å; R639-L642 PolarHBondContact O-N 3.29Å; L642-V644 VanDerWaalsContact C-N 3.34Å; L642-V644 PolarHBondContact O-N 2.88Å; L642-Y645 PolarHBondContact O-N 3.29Å; L642-L646 HydrophobicContact CD1-CD1 4.24Å; L642-L646 HydrophobicContact CD1-CG 4.26Å; L642-L646 HydrophobicContact CG-CD1 3.98Å; L642-L646 HydrophobicContact CG-CG 4.38Å; L642-L646 WeakPolarHBondContact O-CB 3.4Å; L642-L646 WeakPolarHBondContact O-CG 3.39Å; L642-L646 PolarHBondContact O-N 3.06Å
643	V	94.3	Very high	93.5	Very high	50 Å²	50	103 Å²	103	30%	0.303	47%	0.471	S	S	.	.	H	α-helix	trans	-63.9	-39	178.5	168.8	0	0	0	0	111.4	R639 P640 R647	R639-V643 HydrophobicContact CG-CG2 4.36Å; R639-V643 WeakPolarHBondContact O-CB 3.45Å; R639-V643 VanDerWaalsContact O-CG2 3.29Å; R639-V643 WeakPolarHBondContact O-CG2 3.45Å; R639-V643 PolarHBondContact O-N 2.88Å; P640-V643 PolarHBondContact O-N 2.59Å; V643-R647 HydrophobicContact CG1-CG 4.48Å; V643-R647 WeakPolarHBondContact O-CB 3.39Å; V643-R647 VanDerWaalsContact O-CG 3.23Å; V643-R647 WeakPolarHBondContact O-CG 3.34Å; V643-R647 PolarHBondContact O-N 3.18Å
644	V	95.6	Very high	93.6	Very high	91 Å²	91	103.8 Å²	103.8	55%	0.552	47%	0.472	S	S	*	.	H	α-helix	trans	-65.6	-43.5	174	171.2	0	0	0	0	111.3	P640 K641 L642 R647 R648	P640-V644 WeakPolarHBondContact O-CG2 3.45Å; P640-V644 PolarHBondContact O-N 3.09Å; K641-V644 PolarHBondContact O-N 2.96Å; L642-V644 VanDerWaalsContact C-N 3.34Å; L642-V644 PolarHBondContact O-N 2.88Å; V644-R647 PolarHBondContact O-N 2.96Å; V644-R648 WeakPolarHBondContact O-CB 3.38Å; V644-R648 PolarHBondContact O-N 3.06Å
645	Y	95	Very high	93.7	Very high	122 Å²	122	103.9 Å²	103.9	48%	0.478	48%	0.482	S	S	.	.	H	α-helix	trans	-59.4	-50.3	174.8	170.9	-93.1	0	0	0	111.9	K641 L642 R647 R648 R649	K641-Y645 WeakPolarHBondContact O-CB 3.34Å; K641-Y645 PolarHBondContact O-N 3.25Å; L642-Y645 PolarHBondContact O-N 3.29Å; Y645-R647 PolarHBondContact O-N 3.08Å; Y645-R648 WeakPolarHBondContact O-CB 3.33Å; Y645-R648 PolarHBondContact O-N 3.17Å; Y645-R648 VanDerWaalsContact O-N 3.1Å; Y645-R649 WeakPolarHBondContact O-CB 3.37Å; Y645-R649 PolarHBondContact O-N 3.11Å; Y645-R649 PolarHBondContact OH-NH1 2.77Å
646	L	94.7	Very high	93.8	Very high	61 Å²	61	98.4 Å²	98.4	32%	0.319	46%	0.462	S	S	.	.	H	α-helix	trans	-61.4	-43.6	178.7	-69.6	173.3	0	0	0	111.4	L642 R648 R649 L650	L642-L646 HydrophobicContact CD1-CD1 4.24Å; L642-L646 HydrophobicContact CD1-CG 4.26Å; L642-L646 HydrophobicContact CG-CD1 3.98Å; L642-L646 HydrophobicContact CG-CG 4.38Å; L642-L646 WeakPolarHBondContact O-CB 3.4Å; L642-L646 WeakPolarHBondContact O-CG 3.39Å; L642-L646 PolarHBondContact O-N 3.06Å; L646-R648 VanDerWaalsContact C-N 3.31Å; L646-R648 PolarHBondContact O-N 2.88Å; L646-R649 PolarHBondContact O-N 3.21Å; L646-L650 WeakPolarHBondContact O-CB 3.36Å; L646-L650 WeakPolarHBondContact O-CG 3.05Å; L646-L650 PolarHBondContact O-N 3.21Å
647	R	96.3	Very high	93.8	Very high	161 Å²	161	98 Å²	98	61%	0.608	46%	0.459	S	S	*	.	H	α-helix	trans	-64.4	-30	174	-72.9	173.6	179.4	-177.6	0.5	113.3	V643 V644 Y645 R651	V643-R647 HydrophobicContact CG1-CG 4.48Å; V643-R647 WeakPolarHBondContact O-CB 3.39Å; V643-R647 VanDerWaalsContact O-CG 3.23Å; V643-R647 WeakPolarHBondContact O-CG 3.34Å; V643-R647 PolarHBondContact O-N 3.18Å; V644-R647 PolarHBondContact O-N 2.96Å; Y645-R647 PolarHBondContact O-N 3.08Å; R647-R651 WeakPolarHBondContact O-CG 3.36Å; R647-R651 PolarHBondContact O-N 2.67Å; R647-R651 PolarHBondContact O-NE 3.16Å
648	R	95.8	Very high	93.9	Very high	187 Å²	187	96.5 Å²	96.5	71%	0.706	46%	0.455	S	S	*	.	H	α-helix	trans	-72.5	-46.3	172.3	179.5	179.1	-88.3	-178.8	-6.3	110.4	V644 Y645 L646 R651 A652	V644-R648 WeakPolarHBondContact O-CB 3.38Å; V644-R648 PolarHBondContact O-N 3.06Å; Y645-R648 WeakPolarHBondContact O-CB 3.33Å; Y645-R648 PolarHBondContact O-N 3.17Å; Y645-R648 VanDerWaalsContact O-N 3.1Å; L646-R648 VanDerWaalsContact C-N 3.31Å; L646-R648 PolarHBondContact O-N 2.88Å; R648-R651 PolarHBondContact O-N 2.92Å; R648-A652 WeakPolarHBondContact O-CB 3.37Å; R648-A652 PolarHBondContact O-N 2.91Å
649	R	92.6	Very high	93.9	Very high	112 Å²	112	97 Å²	97	42%	0.423	46%	0.457	S	S	.	.	H	α-helix	trans	-64.4	-43.6	-179.7	-177.8	164.8	162.2	179.8	-12.2	112.9	Y645 L646 A652 E653 W763	Y645-R649 WeakPolarHBondContact O-CB 3.37Å; Y645-R649 PolarHBondContact O-N 3.11Å; Y645-R649 PolarHBondContact OH-NH1 2.77Å; L646-R649 PolarHBondContact O-N 3.21Å; R649-A652 PolarHBondContact O-N 3.23Å; R649-E653 WeakPolarHBondContact O-CB 3.32Å; R649-E653 PolarHBondContact O-N 2.94Å; R649-W763 VanDerWaalsContact NH2-CH2 3.28Å
650	L	93.2	Very high	93.9	Very high	126 Å²	126	95.2 Å²	95.2	66%	0.66	45%	0.454	S	S	*	.	H	α-helix	trans	-61.8	-41.8	174.5	-74.2	168.2	0	0	0	112.5	L646 E653 Q654	L646-L650 WeakPolarHBondContact O-CB 3.36Å; L646-L650 WeakPolarHBondContact O-CG 3.05Å; L646-L650 PolarHBondContact O-N 3.21Å; L650-E653 PolarHBondContact O-N 3.47Å; L650-Q654 PolarHBondContact O-N 3.21Å
651	R	95.2	Very high	93.8	Very high	166 Å²	166	94.9 Å²	94.9	63%	0.626	46%	0.457	S	S	*	.	H	α-helix	trans	-67.5	-41	176.1	-76.8	-179.6	-70.3	-179.5	1.9	112.3	R647 R648 E653 Q654 S655	R647-R651 WeakPolarHBondContact O-CG 3.36Å; R647-R651 PolarHBondContact O-N 2.67Å; R647-R651 PolarHBondContact O-NE 3.16Å; R648-R651 PolarHBondContact O-N 2.92Å; R651-E653 VanDerWaalsContact C-N 3.32Å; R651-E653 PolarHBondContact O-N 2.9Å; R651-Q654 PolarHBondContact O-N 3Å; R651-S655 PolarHBondContact O-N 2.93Å; R651-S655 PolarHBondContact O-OG 2.91Å
652	A	93.1	Very high	93.8	Very high	63 Å²	63	92.8 Å²	92.8	52%	0.521	45%	0.45	S	S	.	.	H	α-helix	trans	-61.8	-41	174.5	0	0	0	0	0	111.8	R648 R649 S655 R656	R648-A652 WeakPolarHBondContact O-CB 3.37Å; R648-A652 PolarHBondContact O-N 2.91Å; R649-A652 PolarHBondContact O-N 3.23Å; A652-S655 PolarHBondContact O-N 3.15Å; A652-R656 PolarHBondContact O-N 3.07Å
653	E	91	Very high	93.8	Very high	48 Å²	48	93.7 Å²	93.7	22%	0.224	45%	0.453	C	S	.	.	H	α-helix	trans	-68.7	-41.4	177.8	-172.8	57	-158	0	0	112.3	R649 L650 R651 S655 R656 I657	R649-E653 WeakPolarHBondContact O-CB 3.32Å; R649-E653 PolarHBondContact O-N 2.94Å; L650-E653 PolarHBondContact O-N 3.47Å; R651-E653 VanDerWaalsContact C-N 3.32Å; R651-E653 PolarHBondContact O-N 2.9Å; E653-S655 VanDerWaalsContact C-N 3.34Å; E653-S655 PolarHBondContact O-N 3.44Å; E653-R656 VanDerWaalsContact CD-NE 3.26Å; E653-R656 WeakPolarHBondContact O-CB 3.43Å; E653-R656 PolarHBondContact O-N 2.96Å; E653-R656 VanDerWaalsContact O-N 3.15Å; E653-R656 IonicContact OE1-CZ 3.66Å; E653-R656 IonicContact OE1-NE 2.98Å; E653-R656 PolarHBondContact OE1-NE 2.82Å; E653-R656 IonicContact OE1-NH2 3.24Å; E653-R656 PolarHBondContact OE1-NH2 2.97Å; E653-R656 IonicContact OE2-CZ 2.83Å; E653-R656 IonicContact OE2-NE 3.58Å; E653-R656 PolarHBondContact OE2-NE 2.88Å; E653-R656 IonicContact OE2-NH2 2.7Å; E653-I657 HydrophobicContact CG-CD1 4.12Å; E653-I657 WeakPolarHBondContact O-CG1 3.45Å; E653-I657 PolarHBondContact O-N 3.4Å
654	Q	92.9	Very high	93.7	Very high	105 Å²	105	99.4 Å²	99.4	49%	0.491	47%	0.47	S	S	.	.	H	α-helix	trans	-61.2	-42.1	172.8	-171.1	65	61.9	0	0	111.7	L650 R651 R656 I657 N658	L650-Q654 PolarHBondContact O-N 3.21Å; R651-Q654 PolarHBondContact O-N 3Å; Q654-R656 VanDerWaalsContact C-N 3.33Å; Q654-R656 PolarHBondContact O-N 3.31Å; Q654-I657 PolarHBondContact O-N 3.08Å; Q654-N658 PolarHBondContact NE2-OD1 3.02Å; Q654-N658 WeakPolarHBondContact O-CB 3.43Å; Q654-N658 PolarHBondContact O-N 3.3Å; Q654-N658 PolarHBondContact O-OD1 3.44Å
655	S	93.2	Very high	93.6	Very high	80 Å²	80	96.5 Å²	96.5	56%	0.559	46%	0.459	S	S	*	.	H	α-helix	trans	-62.1	-39	173.7	-66.8	0	0	0	0	112.3	R651 A652 E653 N658 F659	R651-S655 PolarHBondContact O-N 2.93Å; R651-S655 PolarHBondContact O-OG 2.91Å; A652-S655 PolarHBondContact O-N 3.15Å; E653-S655 VanDerWaalsContact C-N 3.34Å; E653-S655 PolarHBondContact O-N 3.44Å; S655-N658 PolarHBondContact O-N 3.15Å; S655-F659 WeakPolarHBondContact O-CB 3.41Å; S655-F659 PolarHBondContact O-N 3.25Å
656	R	93.5	Very high	93.7	Very high	48 Å²	48	97 Å²	97	18%	0.181	46%	0.459	C	S	.	.	H	α-helix	trans	-62.6	-47.2	175.3	-170.8	-171	78.7	90.4	-4.2	111.8	A652 E653 Q654 F659 L660 M759	A652-R656 PolarHBondContact O-N 3.07Å; E653-R656 VanDerWaalsContact CD-NE 3.26Å; E653-R656 WeakPolarHBondContact O-CB 3.43Å; E653-R656 PolarHBondContact O-N 2.96Å; E653-R656 VanDerWaalsContact O-N 3.15Å; E653-R656 IonicContact OE1-CZ 3.66Å; E653-R656 IonicContact OE1-NE 2.98Å; E653-R656 PolarHBondContact OE1-NE 2.82Å; E653-R656 IonicContact OE1-NH2 3.24Å; E653-R656 PolarHBondContact OE1-NH2 2.97Å; E653-R656 IonicContact OE2-CZ 2.83Å; E653-R656 IonicContact OE2-NE 3.58Å; E653-R656 PolarHBondContact OE2-NE 2.88Å; E653-R656 IonicContact OE2-NH2 2.7Å; Q654-R656 VanDerWaalsContact C-N 3.33Å; Q654-R656 PolarHBondContact O-N 3.31Å; R656-F659 PolarHBondContact O-N 3.3Å; R656-L660 HydrophobicContact CG-CD1 4.49Å; R656-L660 WeakPolarHBondContact O-CG 3.46Å; R656-L660 PolarHBondContact O-N 2.94Å; R656-M759 PolarHBondContact NH1-O 3.3Å; R656-M759 PolarHBondContact NH2-O 2.99Å
657	I	91.8	Very high	93.7	Very high	64 Å²	64	99 Å²	99	33%	0.328	47%	0.471	S	S	.	.	H	α-helix	trans	-63.4	-45.2	177.9	-68	166.7	0	0	0	110.3	E653 Q654 F659 L660 A661	E653-I657 HydrophobicContact CG-CD1 4.12Å; E653-I657 WeakPolarHBondContact O-CG1 3.45Å; E653-I657 PolarHBondContact O-N 3.4Å; Q654-I657 PolarHBondContact O-N 3.08Å; I657-F659 VanDerWaalsContact C-N 3.34Å; I657-F659 PolarHBondContact O-N 2.66Å; I657-L660 PolarHBondContact O-N 3.27Å; I657-A661 WeakPolarHBondContact O-CB 3.49Å; I657-A661 PolarHBondContact O-N 3.29Å
658	N	93	Very high	93.6	Very high	79 Å²	79	93.5 Å²	93.5	42%	0.422	46%	0.457	S	S	.	.	H	α-helix	trans	-60.7	-41.2	176.9	-68.6	-0.1	0	0	0	112.1	Q654 S655 A661 Q662	Q654-N658 PolarHBondContact NE2-OD1 3.02Å; Q654-N658 WeakPolarHBondContact O-CB 3.43Å; Q654-N658 PolarHBondContact O-N 3.3Å; Q654-N658 PolarHBondContact O-OD1 3.44Å; S655-N658 PolarHBondContact O-N 3.15Å; N658-A661 PolarHBondContact O-N 2.96Å; N658-Q662 WeakPolarHBondContact O-CG 3.4Å; N658-Q662 PolarHBondContact O-N 3.36Å; N658-Q662 VanDerWaalsContact O-N 3.09Å
659	F	94.3	Very high	93.6	Very high	116 Å²	116	93.8 Å²	93.8	51%	0.509	46%	0.458	S	S	.	.	H	α-helix	trans	-64.3	-46	174.7	176.5	-95.1	0	0	0	111.9	S655 R656 I657 A661 Q662 Q663	S655-F659 WeakPolarHBondContact O-CB 3.41Å; S655-F659 PolarHBondContact O-N 3.25Å; R656-F659 PolarHBondContact O-N 3.3Å; I657-F659 VanDerWaalsContact C-N 3.34Å; I657-F659 PolarHBondContact O-N 2.66Å; F659-A661 VanDerWaalsContact C-N 3.34Å; F659-A661 PolarHBondContact O-N 3.41Å; F659-Q662 PolarHBondContact O-N 2.95Å; F659-Q663 HydrophobicContact CD1-CG 4.19Å; F659-Q663 HydrophobicContact CE1-CG 3.82Å; F659-Q663 HydrophobicContact CE2-CG 4.4Å; F659-Q663 HydrophobicContact CZ-CG 3.96Å; F659-Q663 WeakPolarHBondContact O-CG 3.35Å; F659-Q663 PolarHBondContact O-N 2.9Å
660	L	92.3	Very high	93.8	Very high	56 Å²	56	92.3 Å²	92.3	29%	0.293	46%	0.461	S	S	.	.	H	α-helix	trans	-61.7	-40.6	176.8	-73.1	175.6	0	0	0	112.1	R656 I657 Q662 Q663 Y664	R656-L660 HydrophobicContact CG-CD1 4.49Å; R656-L660 WeakPolarHBondContact O-CG 3.46Å; R656-L660 PolarHBondContact O-N 2.94Å; I657-L660 PolarHBondContact O-N 3.27Å; L660-Q662 VanDerWaalsContact C-N 3.35Å; L660-Q662 PolarHBondContact O-N 3.48Å; L660-Q663 PolarHBondContact O-N 2.89Å; L660-Y664 WeakPolarHBondContact O-CB 3.41Å; L660-Y664 PolarHBondContact O-N 3.25Å
661	A	92.5	Very high	94	Very high	60 Å²	60	92.3 Å²	92.3	50%	0.496	46%	0.456	S	S	.	.	H	α-helix	trans	-62.1	-39.8	174.9	0	0	0	0	0	112.3	I657 N658 F659 G665	I657-A661 WeakPolarHBondContact O-CB 3.49Å; I657-A661 PolarHBondContact O-N 3.29Å; N658-A661 PolarHBondContact O-N 2.96Å; F659-A661 VanDerWaalsContact C-N 3.34Å; F659-A661 PolarHBondContact O-N 3.41Å; A661-G665 PolarHBondContact O-N 2.89Å
662	Q	94.9	Very high	93.9	Very high	112 Å²	112	87.5 Å²	87.5	52%	0.523	45%	0.445	S	S	.	.	H	α-helix	trans	-65	-42.5	173.5	-71.1	177.1	23.9	0	0	112.4	N658 F659 L660 G665 R666	N658-Q662 WeakPolarHBondContact O-CG 3.4Å; N658-Q662 PolarHBondContact O-N 3.36Å; N658-Q662 VanDerWaalsContact O-N 3.09Å; F659-Q662 PolarHBondContact O-N 2.95Å; L660-Q662 VanDerWaalsContact C-N 3.35Å; L660-Q662 PolarHBondContact O-N 3.48Å; Q662-G665 PolarHBondContact O-N 2.89Å; Q662-R666 WeakPolarHBondContact O-CG 3.26Å; Q662-R666 PolarHBondContact O-N 2.83Å
663	Q	93.9	Very high	94.1	Very high	61 Å²	61	91.6 Å²	91.6	29%	0.285	45%	0.451	S	S	.	.	H	α-helix	trans	-67.4	-40.1	177.2	-62.8	-61.7	14.1	0	0	112	F659 L660 G665 R666 N667	F659-Q663 HydrophobicContact CD1-CG 4.19Å; F659-Q663 HydrophobicContact CE1-CG 3.82Å; F659-Q663 HydrophobicContact CE2-CG 4.4Å; F659-Q663 HydrophobicContact CZ-CG 3.96Å; F659-Q663 WeakPolarHBondContact O-CG 3.35Å; F659-Q663 PolarHBondContact O-N 2.9Å; L660-Q663 PolarHBondContact O-N 2.89Å; Q663-G665 VanDerWaalsContact C-N 3.34Å; Q663-G665 PolarHBondContact O-N 3.39Å; Q663-R666 PolarHBondContact O-N 3.19Å; Q663-R666 VanDerWaalsContact OE1-NH1 3.15Å; Q663-N667 WeakPolarHBondContact O-CB 3.29Å; Q663-N667 VanDerWaalsContact O-CG 3.27Å; Q663-N667 PolarHBondContact O-N 3.46Å
664	Y	93.1	Very high	94.3	Very high	170 Å²	170	95.9 Å²	95.9	67%	0.667	47%	0.469	S	S	*	.	H	α-helix	trans	-59.1	-44.9	171.1	180	-100.8	0	0	0	111.5	L660 R666 N667 S668	L660-Y664 WeakPolarHBondContact O-CB 3.41Å; L660-Y664 PolarHBondContact O-N 3.25Å; Y664-R666 VanDerWaalsContact C-N 3.34Å; Y664-R666 PolarHBondContact O-N 3.24Å; Y664-N667 PolarHBondContact O-N 3.08Å; Y664-S668 WeakPolarHBondContact O-CB 3.37Å; Y664-S668 PolarHBondContact O-N 3.38Å
665	G	94.3	Very high	94.3	Very high	30 Å²	30	93.9 Å²	93.9	31%	0.309	46%	0.46	S	S	.	.	H	α-helix	trans	-60.9	-36.4	175.8	0	0	0	0	0	114	A661 Q662 Q663 R669	A661-G665 PolarHBondContact O-N 2.89Å; Q662-G665 PolarHBondContact O-N 2.89Å; Q663-G665 VanDerWaalsContact C-N 3.34Å; Q663-G665 PolarHBondContact O-N 3.39Å; G665-R669 WeakPolarHBondContact O-CD 3.38Å; G665-R669 VanDerWaalsContact O-CG 3.29Å; G665-R669 WeakPolarHBondContact O-CG 3.17Å; G665-R669 PolarHBondContact O-N 3.27Å
666	R	95.6	Very high	94.3	Very high	131 Å²	131	94.3 Å²	94.3	49%	0.494	46%	0.456	S	S	.	.	H	α-helix	trans	-67.2	-52	171.5	-70.5	-177.9	-177.8	109.5	3.3	111.3	Q662 Q663 Y664 S668 R669 V670	Q662-R666 WeakPolarHBondContact O-CG 3.26Å; Q662-R666 PolarHBondContact O-N 2.83Å; Q663-R666 PolarHBondContact O-N 3.19Å; Q663-R666 VanDerWaalsContact OE1-NH1 3.15Å; Y664-R666 VanDerWaalsContact C-N 3.34Å; Y664-R666 PolarHBondContact O-N 3.24Å; R666-S668 VanDerWaalsContact C-N 3.34Å; R666-S668 PolarHBondContact O-N 3.11Å; R666-R669 PolarHBondContact O-N 3.43Å; R666-V670 PolarHBondContact O-N 3.36Å; R666-V670 VanDerWaalsContact O-N 3.12Å
667	N	95.6	Very high	94.4	Very high	105 Å²	105	99.5 Å²	99.5	56%	0.561	48%	0.48	S	S	*	.	H	α-helix	trans	-64	-38.7	-176.4	-69.8	-8.5	0	0	0	112.2	Q663 Y664 V670 F671	Q663-N667 WeakPolarHBondContact O-CB 3.29Å; Q663-N667 VanDerWaalsContact O-CG 3.27Å; Q663-N667 PolarHBondContact O-N 3.46Å; Y664-N667 PolarHBondContact O-N 3.08Å; N667-V670 PolarHBondContact O-N 3.35Å; N667-F671 WeakPolarHBondContact O-CB 3.4Å; N667-F671 PolarHBondContact O-N 3.25Å
668	S	94.9	Very high	94.3	Very high	44 Å²	44	100.6 Å²	100.6	31%	0.308	49%	0.487	S	S	.	.	H	α-helix	trans	-58.8	-49.3	173.5	174.9	0	0	0	0	111.4	Y664 R666 V670 F671 T672	Y664-S668 WeakPolarHBondContact O-CB 3.37Å; Y664-S668 PolarHBondContact O-N 3.38Å; R666-S668 VanDerWaalsContact C-N 3.34Å; R666-S668 PolarHBondContact O-N 3.11Å; S668-V670 VanDerWaalsContact C-N 3.3Å; S668-V670 PolarHBondContact O-N 3.5Å; S668-F671 PolarHBondContact O-N 3.36Å; S668-F671 VanDerWaalsContact O-N 3.14Å; S668-T672 PolarHBondContact O-N 3.13Å; S668-T672 PolarHBondContact O-OG1 2.82Å; S668-T672 VanDerWaalsContact O-OG1 3.12Å
669	R	95.7	Very high	94.1	Very high	193 Å²	193	100.8 Å²	100.8	73%	0.728	49%	0.487	S	S	*	.	H	α-helix	trans	-60.1	-37.7	176.7	-71	171	-179.9	-162.7	-0.3	112.8	G665 R666 K673	G665-R669 WeakPolarHBondContact O-CD 3.38Å; G665-R669 VanDerWaalsContact O-CG 3.29Å; G665-R669 WeakPolarHBondContact O-CG 3.17Å; G665-R669 PolarHBondContact O-N 3.27Å; R666-R669 PolarHBondContact O-N 3.43Å; R669-K673 WeakPolarHBondContact O-CG 3.1Å; R669-K673 PolarHBondContact O-N 2.78Å
670	V	96.3	Very high	93.9	Very high	82 Å²	82	98.3 Å²	98.3	50%	0.497	48%	0.484	S	S	.	.	H	α-helix	trans	-69.8	-41.7	175.4	174.5	0	0	0	0	111	R666 N667 S668 K674	R666-V670 PolarHBondContact O-N 3.36Å; R666-V670 VanDerWaalsContact O-N 3.12Å; N667-V670 PolarHBondContact O-N 3.35Å; S668-V670 VanDerWaalsContact C-N 3.3Å; S668-V670 PolarHBondContact O-N 3.5Å; V670-K674 HydrophobicContact CG1-CD 4.47Å; V670-K674 WeakPolarHBondContact O-CG 3.38Å; V670-K674 PolarHBondContact O-N 3.19Å
671	F	95.9	Very high	93.8	Very high	125 Å²	125	98.8 Å²	98.8	55%	0.548	49%	0.49	S	S	.	.	H	α-helix	trans	-62.6	-50.1	177.1	174.8	-97.9	0	0	0	111.9	N667 S668 K673 K674 M675	N667-F671 WeakPolarHBondContact O-CB 3.4Å; N667-F671 PolarHBondContact O-N 3.25Å; S668-F671 PolarHBondContact O-N 3.36Å; S668-F671 VanDerWaalsContact O-N 3.14Å; F671-K673 PolarHBondContact O-N 2.77Å; F671-K674 CarbonylContact O-C 3.5Å; F671-K674 WeakPolarHBondContact O-CA 3.44Å; F671-K674 WeakPolarHBondContact O-CB 3.41Å; F671-K674 PolarHBondContact O-N 3.13Å; F671-M675 HydrophobicContact CD1-CG 4.08Å; F671-M675 HydrophobicContact CD2-CE 4.39Å; F671-M675 HydrophobicContact CD2-CG 4.37Å; F671-M675 HydrophobicContact CE1-CG 3.6Å; F671-M675 HydrophobicContact CE1-SD 4.44Å; F671-M675 HydrophobicContact CE2-CE 3.86Å; F671-M675 HydrophobicContact CE2-CG 3.93Å; F671-M675 HydrophobicContact CE2-SD 3.98Å; F671-M675 HydrophobicContact CG-CG 4.45Å; F671-M675 HydrophobicContact CZ-CE 4.28Å; F671-M675 HydrophobicContact CZ-CG 3.52Å; F671-M675 HydrophobicContact CZ-SD 3.76Å; F671-M675 WeakPolarHBondContact O-CG 3.24Å; F671-M675 PolarHBondContact O-N 3.29Å
672	T	94.5	Very high	93.8	Very high	65 Å²	65	100 Å²	100	40%	0.399	49%	0.49	S	S	.	.	H	α-helix	trans	-57	-50.6	177.6	-53.6	0	0	0	0	110.7	S668 K674 M675 D676	S668-T672 PolarHBondContact O-N 3.13Å; S668-T672 PolarHBondContact O-OG1 2.82Å; S668-T672 VanDerWaalsContact O-OG1 3.12Å; T672-K674 PolarHBondContact O-N 3.01Å; T672-K674 VanDerWaalsContact O-N 3.16Å; T672-M675 CarbonylContact O-C 3.6Å; T672-M675 WeakPolarHBondContact O-CA 3.47Å; T672-M675 WeakPolarHBondContact O-CB 3.06Å; T672-M675 PolarHBondContact O-N 3.49Å; T672-D676 PolarHBondContact O-N 3Å; T672-D676 VanDerWaalsContact O-OD2 3.11Å
673	K	96	Very high	93.6	Very high	150 Å²	150	102.2 Å²	102.2	65%	0.652	50%	0.499	S	S	*	.	H	α-helix	trans	-57.5	-32.2	175.6	-74.4	-175.9	175.6	-168.5	0	113.9	R669 F671 K677	R669-K673 WeakPolarHBondContact O-CG 3.1Å; R669-K673 PolarHBondContact O-N 2.78Å; F671-K673 PolarHBondContact O-N 2.77Å; K673-K677 WeakPolarHBondContact O-CG 3.43Å; K673-K677 PolarHBondContact O-N 3.12Å
674	K	95.7	Very high	93.4	Very high	138 Å²	138	102.8 Å²	102.8	60%	0.6	50%	0.498	S	S	*	.	H	α-helix	trans	-73	-40.2	172.8	-76.7	-176.5	175.3	-169.7	0	111.8	V670 F671 T672 K677 L678	V670-K674 HydrophobicContact CG1-CD 4.47Å; V670-K674 WeakPolarHBondContact O-CG 3.38Å; V670-K674 PolarHBondContact O-N 3.19Å; F671-K674 CarbonylContact O-C 3.5Å; F671-K674 WeakPolarHBondContact O-CA 3.44Å; F671-K674 WeakPolarHBondContact O-CB 3.41Å; F671-K674 PolarHBondContact O-N 3.13Å; T672-K674 PolarHBondContact O-N 3.01Å; T672-K674 VanDerWaalsContact O-N 3.16Å; K674-K677 PolarHBondContact O-N 3.1Å; K674-L678 WeakPolarHBondContact O-CB 3.29Å; K674-L678 PolarHBondContact O-N 3.15Å
675	M	93.3	Very high	93.1	Very high	62 Å²	62	101.5 Å²	101.5	31%	0.305	49%	0.492	S	S	.	.	H	α-helix	trans	-64.7	-43.6	175.2	-68.1	-59.5	100.1	0	0	111.8	F671 T672 K677 L678 L679	F671-M675 HydrophobicContact CD1-CG 4.08Å; F671-M675 HydrophobicContact CD2-CE 4.39Å; F671-M675 HydrophobicContact CD2-CG 4.37Å; F671-M675 HydrophobicContact CE1-CG 3.6Å; F671-M675 HydrophobicContact CE1-SD 4.44Å; F671-M675 HydrophobicContact CE2-CE 3.86Å; F671-M675 HydrophobicContact CE2-CG 3.93Å; F671-M675 HydrophobicContact CE2-SD 3.98Å; F671-M675 HydrophobicContact CG-CG 4.45Å; F671-M675 HydrophobicContact CZ-CE 4.28Å; F671-M675 HydrophobicContact CZ-CG 3.52Å; F671-M675 HydrophobicContact CZ-SD 3.76Å; F671-M675 WeakPolarHBondContact O-CG 3.24Å; F671-M675 PolarHBondContact O-N 3.29Å; T672-M675 CarbonylContact O-C 3.6Å; T672-M675 WeakPolarHBondContact O-CA 3.47Å; T672-M675 WeakPolarHBondContact O-CB 3.06Å; T672-M675 PolarHBondContact O-N 3.49Å; M675-K677 VanDerWaalsContact C-N 3.33Å; M675-K677 PolarHBondContact O-N 3.11Å; M675-L678 HydrophobicContact CE-CD2 4.01Å; M675-L678 CarbonylContact O-C 3.57Å; M675-L678 PolarHBondContact O-N 3.03Å; M675-L678 VanDerWaalsContact O-N 3.09Å; M675-L678 HydrophobicContact SD-CD2 4.42Å; M675-L679 WeakPolarHBondContact O-CB 3.36Å; M675-L679 VanDerWaalsContact O-CG 3.29Å; M675-L679 WeakPolarHBondContact O-CG 3.31Å; M675-L679 PolarHBondContact O-N 3.35Å
676	D	93.7	Very high	92.9	Very high	89 Å²	89	105 Å²	105	48%	0.476	50%	0.5	S	S	.	.	H	α-helix	trans	-59.5	-43.6	177.8	-57.2	-33.1	0	0	0	111.3	T672 L679 S680	T672-D676 PolarHBondContact O-N 3Å; T672-D676 VanDerWaalsContact O-OD2 3.11Å; D676-L679 PolarHBondContact O-N 2.7Å; D676-S680 VanDerWaalsContact O-CB 3.26Å; D676-S680 WeakPolarHBondContact O-CB 3.37Å; D676-S680 PolarHBondContact O-N 3.38Å; D676-S680 PolarHBondContact O-OG 3.46Å
677	K	94.2	Very high	92.7	Very high	157 Å²	157	103.6 Å²	103.6	68%	0.683	50%	0.495	S	S	*	.	H	α-helix	trans	-62.9	-43	172.8	-74.1	-175.9	175.8	-164.1	0	112.2	K673 K674 M675 S680 T681	K673-K677 WeakPolarHBondContact O-CG 3.43Å; K673-K677 PolarHBondContact O-N 3.12Å; K674-K677 PolarHBondContact O-N 3.1Å; M675-K677 VanDerWaalsContact C-N 3.33Å; M675-K677 PolarHBondContact O-N 3.11Å; K677-S680 WeakPolarHBondContact CA-OG 3.47Å; K677-S680 PolarHBondContact O-OG 2.85Å; K677-T681 PolarHBondContact O-N 3.26Å; K677-T681 PolarHBondContact O-OG1 3.21Å
678	L	90.8	Very high	92.3	Very high	88 Å²	88	101.1 Å²	101.1	46%	0.461	48%	0.482	S	S	.	.	H	α-helix	trans	-67	-36.1	179.1	-177.5	61.7	0	0	0	112.7	K674 M675 R684	K674-L678 WeakPolarHBondContact O-CB 3.29Å; K674-L678 PolarHBondContact O-N 3.15Å; M675-L678 HydrophobicContact CE-CD2 4.01Å; M675-L678 CarbonylContact O-C 3.57Å; M675-L678 PolarHBondContact O-N 3.03Å; M675-L678 VanDerWaalsContact O-N 3.09Å; M675-L678 HydrophobicContact SD-CD2 4.42Å; L678-R684 WeakPolarHBondContact O-CB 3.4Å; L678-R684 WeakPolarHBondContact O-CG 3.41Å
679	L	89	Confident	92	Very high	82 Å²	82	102.9 Å²	102.9	43%	0.429	49%	0.488	S	S	.	.	H	α-helix	trans	-77.9	-41.1	179.1	-68.1	172.9	0	0	0	112.4	M675 D676 T681 R684 R685	M675-L679 WeakPolarHBondContact O-CB 3.36Å; M675-L679 VanDerWaalsContact O-CG 3.29Å; M675-L679 WeakPolarHBondContact O-CG 3.31Å; M675-L679 PolarHBondContact O-N 3.35Å; D676-L679 PolarHBondContact O-N 2.7Å; L679-T681 VanDerWaalsContact C-N 3.28Å; L679-T681 PolarHBondContact O-N 2.97Å; L679-R684 HydrophobicContact CD2-CG 4.49Å; L679-R685 WeakPolarHBondContact O-CG 3.44Å
680	S	89.3	Confident	91.8	Very high	64 Å²	64	100.3 Å²	100.3	45%	0.448	48%	0.478	S	S	.	.	H	α-helix	trans	-71.5	-17.7	177.1	57.4	0	0	0	0	114.2	D676 K677 T682 R685	D676-S680 VanDerWaalsContact O-CB 3.26Å; D676-S680 WeakPolarHBondContact O-CB 3.37Å; D676-S680 PolarHBondContact O-N 3.38Å; D676-S680 PolarHBondContact O-OG 3.46Å; K677-S680 WeakPolarHBondContact CA-OG 3.47Å; K677-S680 PolarHBondContact O-OG 2.85Å; S680-T682 PolarHBondContact O-N 3.09Å; S680-R685 VanDerWaalsContact O-CZ 3.29Å; S680-R685 PolarHBondContact O-NE 3.28Å; S680-R685 PolarHBondContact O-NH2 3.01Å
681	T	90.9	Very high	91.3	Very high	67 Å²	67	101.7 Å²	101.7	41%	0.411	48%	0.479	S	S	.	.	S	Bend	trans	-53.2	128	175.5	-69.4	0	0	0	0	111.8	K677 L679 K683 R684 R685	K677-T681 PolarHBondContact O-N 3.26Å; K677-T681 PolarHBondContact O-OG1 3.21Å; L679-T681 VanDerWaalsContact C-N 3.28Å; L679-T681 PolarHBondContact O-N 2.97Å; T681-K683 VanDerWaalsContact C-N 3.31Å; T681-K683 HydrophobicContact CG2-CB 4.18Å; T681-K683 PolarHBondContact O-N 3.47Å; T681-R684 WeakPolarHBondContact O-CA 3.49Å; T681-R684 WeakPolarHBondContact O-CB 3.32Å; T681-R684 PolarHBondContact O-N 2.83Å; T681-R685 PolarHBondContact O-N 3.12Å
682	T	91.8	Very high	90.8	Very high	84 Å²	84	100.7 Å²	100.7	52%	0.515	47%	0.471	S	S	.	.	H	α-helix	trans	-55.7	-41.5	-175.6	-50.7	0	0	0	0	113.1	S680 R684 R685 Q686	S680-T682 PolarHBondContact O-N 3.09Å; T682-R684 PolarHBondContact O-N 2.72Å; T682-R685 PolarHBondContact O-N 3.28Å; T682-Q686 HydrophobicContact CG2-CG 4.34Å; T682-Q686 WeakPolarHBondContact O-CB 3.5Å; T682-Q686 WeakPolarHBondContact O-CG 3.36Å; T682-Q686 PolarHBondContact O-N 3.45Å
683	K	90.7	Very high	90.5	Very high	160 Å²	160	100.4 Å²	100.4	70%	0.696	47%	0.467	S	S	*	.	H	α-helix	trans	-62.6	-26.9	175.4	-171.8	174.1	-176.9	174.6	0	113.1	T681 R687	T681-K683 VanDerWaalsContact C-N 3.31Å; T681-K683 HydrophobicContact CG2-CB 4.18Å; T681-K683 PolarHBondContact O-N 3.47Å; K683-R687 PolarHBondContact O-N 3.49Å
684	R	89.4	Confident	90.1	Very high	73 Å²	73	98.3 Å²	98.3	28%	0.275	46%	0.462	S	S	.	.	H	α-helix	trans	-79.8	-53.5	173.3	-177.7	65.6	-166.7	-90.8	-12.7	110.5	L678 L679 T681 T682 Q686 R687 D688	L678-R684 WeakPolarHBondContact O-CB 3.4Å; L678-R684 WeakPolarHBondContact O-CG 3.41Å; L679-R684 HydrophobicContact CD2-CG 4.49Å; T681-R684 WeakPolarHBondContact O-CA 3.49Å; T681-R684 WeakPolarHBondContact O-CB 3.32Å; T681-R684 PolarHBondContact O-N 2.83Å; T682-R684 PolarHBondContact O-N 2.72Å; R684-Q686 VanDerWaalsContact C-N 3.31Å; R684-Q686 PolarHBondContact O-N 3.01Å; R684-R687 VanDerWaalsContact CD-NH1 3.3Å; R684-R687 WeakPolarHBondContact O-CA 2.91Å; R684-R687 WeakPolarHBondContact O-CB 3.29Å; R684-R687 PolarHBondContact O-N 2.88Å; R684-D688 IonicContact CZ-OD1 2.91Å; R684-D688 IonicContact CZ-OD2 2.92Å; R684-D688 VanDerWaalsContact CZ-OD2 3.23Å; R684-D688 IonicContact NE-OD1 3.83Å; R684-D688 PolarHBondContact NE-OD1 2.83Å; R684-D688 IonicContact NE-OD2 3.24Å; R684-D688 PolarHBondContact NE-OD2 2.58Å; R684-D688 IonicContact NH2-OD1 3.4Å; R684-D688 IonicContact NH2-OD2 2.66Å; R684-D688 PolarHBondContact NH2-OD2 3.14Å; R684-D688 PolarHBondContact O-N 3.07Å
685	R	88.6	Confident	89.5	Confident	143 Å²	143	96.6 Å²	96.6	54%	0.54	46%	0.455	S	S	.	.	H	α-helix	trans	-52.6	-45.2	176.1	-73.4	-169.4	-82.3	160.3	-7.7	112.7	L679 S680 T681 T682 R687 D688 L689	L679-R685 WeakPolarHBondContact O-CG 3.44Å; S680-R685 VanDerWaalsContact O-CZ 3.29Å; S680-R685 PolarHBondContact O-NE 3.28Å; S680-R685 PolarHBondContact O-NH2 3.01Å; T681-R685 PolarHBondContact O-N 3.12Å; T682-R685 PolarHBondContact O-N 3.28Å; R685-R687 VanDerWaalsContact C-N 3.35Å; R685-R687 PolarHBondContact O-N 3.45Å; R685-D688 PolarHBondContact O-N 3.07Å; R685-L689 VanDerWaalsContact O-CB 3.32Å; R685-L689 WeakPolarHBondContact O-CB 3.32Å; R685-L689 VanDerWaalsContact O-CG 3.25Å; R685-L689 WeakPolarHBondContact O-CG 3.19Å; R685-L689 PolarHBondContact O-N 3.5Å
686	Q	90.1	Very high	89.2	Confident	103 Å²	103	94.8 Å²	94.8	48%	0.481	45%	0.446	S	S	.	.	H	α-helix	trans	-64.5	-33.2	175.5	-74.1	179.4	-6.7	0	0	113.9	T682 R684 R690	T682-Q686 HydrophobicContact CG2-CG 4.34Å; T682-Q686 WeakPolarHBondContact O-CB 3.5Å; T682-Q686 WeakPolarHBondContact O-CG 3.36Å; T682-Q686 PolarHBondContact O-N 3.45Å; R684-Q686 VanDerWaalsContact C-N 3.31Å; R684-Q686 PolarHBondContact O-N 3.01Å; Q686-R690 WeakPolarHBondContact O-CG 3.35Å; Q686-R690 PolarHBondContact O-N 3.1Å; Q686-R690 PolarHBondContact O-NH1 3.29Å
687	R	89.7	Confident	89	Confident	101 Å²	101	98.8 Å²	98.8	38%	0.381	46%	0.459	S	S	.	.	H	α-helix	trans	-70.2	-47.4	175.2	-174.1	-163.6	-63.2	127	-5.8	110.1	K683 R684 R685 R690 H691	K683-R687 PolarHBondContact O-N 3.49Å; R684-R687 VanDerWaalsContact CD-NH1 3.3Å; R684-R687 WeakPolarHBondContact O-CA 2.91Å; R684-R687 WeakPolarHBondContact O-CB 3.29Å; R684-R687 PolarHBondContact O-N 2.88Å; R685-R687 VanDerWaalsContact C-N 3.35Å; R685-R687 PolarHBondContact O-N 3.45Å; R687-R690 PolarHBondContact O-N 3.16Å; R687-R690 VanDerWaalsContact O-N 3.17Å; R687-H691 PolarHBondContact O-CD2 2.88Å; R687-H691 PolarHBondContact O-N 2.9Å
688	D	88.5	Confident	88.5	Confident	54 Å²	54	96.3 Å²	96.3	29%	0.289	46%	0.457	S	S	.	.	H	α-helix	trans	-70.8	-34.1	-174.4	-65.5	14.8	0	0	0	110.6	R684 R685 H691 R692	R684-D688 IonicContact CZ-OD1 2.91Å; R684-D688 IonicContact CZ-OD2 2.92Å; R684-D688 VanDerWaalsContact CZ-OD2 3.23Å; R684-D688 IonicContact NE-OD1 3.83Å; R684-D688 PolarHBondContact NE-OD1 2.83Å; R684-D688 IonicContact NE-OD2 3.24Å; R684-D688 PolarHBondContact NE-OD2 2.58Å; R684-D688 IonicContact NH2-OD1 3.4Å; R684-D688 IonicContact NH2-OD2 2.66Å; R684-D688 PolarHBondContact NH2-OD2 3.14Å; R684-D688 PolarHBondContact O-N 3.07Å; R685-D688 PolarHBondContact O-N 3.07Å; D688-H691 PolarHBondContact O-N 2.99Å; D688-R692 WeakPolarHBondContact O-CB 3.4Å; D688-R692 PolarHBondContact O-N 3.05Å
689	L	88.8	Confident	87.9	Confident	81 Å²	81	96.6 Å²	96.6	42%	0.424	46%	0.457	S	S	.	.	H	α-helix	trans	-57.5	-53.7	164.8	-76.9	168.7	0	0	0	111.7	R685 H691 R692 D693	R685-L689 VanDerWaalsContact O-CB 3.32Å; R685-L689 WeakPolarHBondContact O-CB 3.32Å; R685-L689 VanDerWaalsContact O-CG 3.25Å; R685-L689 WeakPolarHBondContact O-CG 3.19Å; R685-L689 PolarHBondContact O-N 3.5Å; L689-H691 VanDerWaalsContact C-N 3.25Å; L689-H691 PolarHBondContact O-N 3.39Å; L689-R692 WeakPolarHBondContact O-CB 3.24Å; L689-R692 PolarHBondContact O-N 3.12Å; L689-R692 VanDerWaalsContact O-N 3.11Å; L689-D693 WeakPolarHBondContact O-CB 3.26Å; L689-D693 PolarHBondContact O-N 2.81Å
690	R	90.1	Very high	87.4	Confident	139 Å²	139	96.8 Å²	96.8	53%	0.525	46%	0.463	S	S	.	.	H	α-helix	trans	-59.1	-35.8	177.1	-73.8	-170.1	-55.2	-91.2	2.7	112.8	Q686 R687 I694	Q686-R690 WeakPolarHBondContact O-CG 3.35Å; Q686-R690 PolarHBondContact O-N 3.1Å; Q686-R690 PolarHBondContact O-NH1 3.29Å; R687-R690 PolarHBondContact O-N 3.16Å; R687-R690 VanDerWaalsContact O-N 3.17Å; R690-I694 WeakPolarHBondContact O-CB 3.14Å; R690-I694 WeakPolarHBondContact O-CD1 3.46Å; R690-I694 WeakPolarHBondContact O-CG1 3.01Å; R690-I694 PolarHBondContact O-N 3.17Å; R690-I694 VanDerWaalsContact O-N 3.08Å
691	H	86.8	Confident	86.9	Confident	111 Å²	111	101 Å²	101	51%	0.514	48%	0.475	S	S	.	.	H	α-helix	trans	-68.4	-42.5	176	-70.2	-172.4	0	0	0	111.6	R687 D688 L689 I694 F695	R687-H691 PolarHBondContact O-CD2 2.88Å; R687-H691 PolarHBondContact O-N 2.9Å; D688-H691 PolarHBondContact O-N 2.99Å; L689-H691 VanDerWaalsContact C-N 3.25Å; L689-H691 PolarHBondContact O-N 3.39Å; H691-I694 PolarHBondContact O-N 3.07Å; H691-F695 WeakPolarHBondContact O-CB 3.37Å; H691-F695 PolarHBondContact O-N 3.26Å
692	R	84.6	Confident	86.2	Confident	104 Å²	104	100.6 Å²	100.6	39%	0.392	47%	0.473	S	S	.	.	H	α-helix	trans	-61	-48	172.6	-175.7	-161.4	65.3	171	3.4	111.4	D688 L689 I694 F695 E696	D688-R692 WeakPolarHBondContact O-CB 3.4Å; D688-R692 PolarHBondContact O-N 3.05Å; L689-R692 WeakPolarHBondContact O-CB 3.24Å; L689-R692 PolarHBondContact O-N 3.12Å; L689-R692 VanDerWaalsContact O-N 3.11Å; R692-I694 PolarHBondContact O-N 3.34Å; R692-F695 CarbonylContact O-C 3.55Å; R692-F695 WeakPolarHBondContact O-CA 3.38Å; R692-F695 WeakPolarHBondContact O-CB 3.48Å; R692-F695 PolarHBondContact O-N 2.9Å; R692-E696 WeakPolarHBondContact CD-OE1 3.47Å; R692-E696 HydrophobicContact CG-CG 4.17Å; R692-E696 IonicContact NE-OE1 2.72Å; R692-E696 PolarHBondContact O-N 3.28Å
693	D	88	Confident	85.5	Confident	58 Å²	58	100.1 Å²	100.1	31%	0.31	46%	0.464	S	S	.	.	H	α-helix	trans	-67.5	-20	-178.8	-55.6	-15.2	0	0	0	112.6	L689 K697	L689-D693 WeakPolarHBondContact O-CB 3.26Å; L689-D693 PolarHBondContact O-N 2.81Å; D693-K697 WeakPolarHBondContact O-CD 3.5Å; D693-K697 WeakPolarHBondContact O-CE 3.26Å; D693-K697 WeakPolarHBondContact O-CG 3.32Å
694	I	87.2	Confident	85	Confident	106 Å²	106	98 Å²	98	54%	0.544	45%	0.454	S	S	.	.	H	α-helix	trans	-79.2	-43.4	167.1	-71.6	163.8	0	0	0	110.4	R690 H691 R692 K697 V698	R690-I694 WeakPolarHBondContact O-CB 3.14Å; R690-I694 WeakPolarHBondContact O-CD1 3.46Å; R690-I694 WeakPolarHBondContact O-CG1 3.01Å; R690-I694 PolarHBondContact O-N 3.17Å; R690-I694 VanDerWaalsContact O-N 3.08Å; H691-I694 PolarHBondContact O-N 3.07Å; R692-I694 PolarHBondContact O-N 3.34Å; I694-K697 PolarHBondContact O-N 3.43Å; I694-V698 WeakPolarHBondContact O-CG2 3.17Å; I694-V698 PolarHBondContact O-N 3.27Å
695	F	84.5	Confident	84.4	Confident	103 Å²	103	99.4 Å²	99.4	45%	0.452	47%	0.467	S	S	.	.	H	α-helix	trans	-65.2	-48.2	-179.5	-169.2	-117.3	0	0	0	112.4	H691 R692 K697 V698 M699 V702	H691-F695 WeakPolarHBondContact O-CB 3.37Å; H691-F695 PolarHBondContact O-N 3.26Å; R692-F695 CarbonylContact O-C 3.55Å; R692-F695 WeakPolarHBondContact O-CA 3.38Å; R692-F695 WeakPolarHBondContact O-CB 3.48Å; R692-F695 PolarHBondContact O-N 2.9Å; F695-K697 PolarHBondContact O-N 3.13Å; F695-V698 CarbonylContact O-C 3.59Å; F695-V698 PolarHBondContact O-N 2.68Å; F695-M699 HydrophobicContact CD2-SD 4.44Å; F695-M699 HydrophobicContact CE2-SD 3.52Å; F695-M699 VanDerWaalsContact CE2-SD 3.52Å; F695-M699 HydrophobicContact CZ-SD 3.58Å; F695-M699 VanDerWaalsContact CZ-SD 3.58Å; F695-M699 PolarHBondContact O-N 3.06Å; F695-V702 HydrophobicContact CD1-CG1 4.24Å; F695-V702 HydrophobicContact CE1-CB 4.28Å; F695-V702 HydrophobicContact CE1-CG1 3.94Å; F695-V702 HydrophobicContact CE1-CG2 3.86Å; F695-V702 HydrophobicContact CZ-CG2 4.35Å
696	E	86.4	Confident	83.8	Confident	24 Å²	24	96.3 Å²	96.3	11%	0.112	46%	0.456	C	S	.	.	H	α-helix	trans	-60.8	-24.7	175.5	-71.5	-175.2	-173.2	0	0	112.7	R692 M699 P700 K703 R706	R692-E696 WeakPolarHBondContact CD-OE1 3.47Å; R692-E696 HydrophobicContact CG-CG 4.17Å; R692-E696 IonicContact NE-OE1 2.72Å; R692-E696 PolarHBondContact O-N 3.28Å; E696-M699 CarbonylContact O-C 3.59Å; E696-P700 WeakPolarHBondContact O-CA 3.35Å; E696-K703 HydrophobicContact CB-CB 4.1Å; E696-K703 HydrophobicContact CG-CB 3.95Å; E696-K703 HydrophobicContact CG-CG 4.43Å; E696-K703 WeakPolarHBondContact OE2-CD 3.47Å; E696-K703 WeakPolarHBondContact OE2-CG 3.35Å; E696-R706 IonicContact OE1-NE 2.74Å; E696-R706 PolarHBondContact OE1-NE 3.41Å; E696-R706 IonicContact OE1-NH2 2.75Å
697	K	89.3	Confident	83.2	Confident	172 Å²	172	95.1 Å²	95.1	75%	0.748	45%	0.45	S	S	*	.	H	α-helix	trans	-81.4	-22.9	172.9	-74.2	173.4	-168.5	167.3	0	114	D693 I694 F695	D693-K697 WeakPolarHBondContact O-CD 3.5Å; D693-K697 WeakPolarHBondContact O-CE 3.26Å; D693-K697 WeakPolarHBondContact O-CG 3.32Å; I694-K697 PolarHBondContact O-N 3.43Å; F695-K697 PolarHBondContact O-N 3.13Å
698	V	84.6	Confident	82.6	Confident	106 Å²	106	93.6 Å²	93.6	64%	0.642	45%	0.449	S	S	*	.	H	α-helix	trans	-92	-30	176.4	174.9	0	0	0	0	111.1	I694 F695	I694-V698 WeakPolarHBondContact O-CG2 3.17Å; I694-V698 PolarHBondContact O-N 3.27Å; F695-V698 CarbonylContact O-C 3.59Å; F695-V698 PolarHBondContact O-N 2.68Å
699	M	78.2	Confident	81.8	Confident	94 Å²	94	97.9 Å²	97.9	46%	0.463	46%	0.461	S	S	.	.			trans	-131.4	79.6	178.4	-69.6	175	166.2	0	0	110.4	F695 E696 E701 V702	F695-M699 HydrophobicContact CD2-SD 4.44Å; F695-M699 HydrophobicContact CE2-SD 3.52Å; F695-M699 VanDerWaalsContact CE2-SD 3.52Å; F695-M699 HydrophobicContact CZ-SD 3.58Å; F695-M699 VanDerWaalsContact CZ-SD 3.58Å; F695-M699 PolarHBondContact O-N 3.06Å; E696-M699 CarbonylContact O-C 3.59Å; M699-E701 PolarHBondContact O-N 2.89Å; M699-V702 HydrophobicContact CB-CB 4.5Å; M699-V702 HydrophobicContact CB-CG2 3.87Å; M699-V702 WeakPolarHBondContact O-CB 3.34Å; M699-V702 PolarHBondContact O-N 3.03Å
700	P	78	Confident	80.8	Confident	86 Å²	86	98.8 Å²	98.8	56%	0.558	46%	0.463	S	S	*	.	H	α-helix	trans	-59.6	-28	-179.4	-25.4	36.1	0	0	0	113.9	E696 V702 K703 K704	E696-P700 WeakPolarHBondContact O-CA 3.35Å; P700-V702 PolarHBondContact O-N 2.79Å; P700-K703 WeakPolarHBondContact O-CB 3.48Å; P700-K703 PolarHBondContact O-N 3.26Å; P700-K703 VanDerWaalsContact O-N 3.08Å; P700-K704 PolarHBondContact O-N 2.75Å
701	E	78.3	Confident	79.7	Confident	152 Å²	152	98.5 Å²	98.5	71%	0.71	47%	0.47	S	S	*	.	H	α-helix	trans	-56.6	-36.2	173.8	-65.4	171.8	-177.8	0	0	112.2	M699 K703 K704 N705	M699-E701 PolarHBondContact O-N 2.89Å; E701-K703 VanDerWaalsContact C-N 3.34Å; E701-K703 PolarHBondContact O-N 3.48Å; E701-K704 PolarHBondContact O-N 2.84Å; E701-N705 WeakPolarHBondContact O-CB 3.39Å; E701-N705 PolarHBondContact O-N 2.92Å; E701-N705 PolarHBondContact O-OD1 3.43Å
702	V	76.4	Confident	78.3	Confident	58 Å²	58	94 Å²	94	35%	0.352	45%	0.453	S	S	.	.	H	α-helix	trans	-66.4	-38.1	176.9	177.8	0	0	0	0	111.1	F695 M699 P700 R706	F695-V702 HydrophobicContact CD1-CG1 4.24Å; F695-V702 HydrophobicContact CE1-CB 4.28Å; F695-V702 HydrophobicContact CE1-CG1 3.94Å; F695-V702 HydrophobicContact CE1-CG2 3.86Å; F695-V702 HydrophobicContact CZ-CG2 4.35Å; M699-V702 HydrophobicContact CB-CB 4.5Å; M699-V702 HydrophobicContact CB-CG2 3.87Å; M699-V702 WeakPolarHBondContact O-CB 3.34Å; M699-V702 PolarHBondContact O-N 3.03Å; P700-V702 PolarHBondContact O-N 2.79Å; V702-R706 PolarHBondContact O-N 3.38Å
703	K	77.9	Confident	77	Confident	75 Å²	75	94.4 Å²	94.4	33%	0.326	46%	0.463	S	S	.	.	H	α-helix	trans	-65.2	-47.6	173.8	-172.3	-179.9	177.5	-85	0	110.4	E696 P700 E701 N705 R706 E707	E696-K703 HydrophobicContact CB-CB 4.1Å; E696-K703 HydrophobicContact CG-CB 3.95Å; E696-K703 HydrophobicContact CG-CG 4.43Å; E696-K703 WeakPolarHBondContact OE2-CD 3.47Å; E696-K703 WeakPolarHBondContact OE2-CG 3.35Å; P700-K703 WeakPolarHBondContact O-CB 3.48Å; P700-K703 PolarHBondContact O-N 3.26Å; P700-K703 VanDerWaalsContact O-N 3.08Å; E701-K703 VanDerWaalsContact C-N 3.34Å; E701-K703 PolarHBondContact O-N 3.48Å; K703-N705 PolarHBondContact O-N 3Å; K703-R706 WeakPolarHBondContact O-CB 3.03Å; K703-R706 PolarHBondContact O-N 3.32Å; K703-R706 VanDerWaalsContact O-N 3.16Å; K703-E707 VanDerWaalsContact CE-OE1 3.26Å; K703-E707 WeakPolarHBondContact CE-OE1 3.49Å; K703-E707 HydrophobicContact CG-CG 4.47Å; K703-E707 IonicContact NZ-OE1 2.61Å; K703-E707 PolarHBondContact NZ-OE1 3.34Å; K703-E707 IonicContact NZ-OE2 2.75Å; K703-E707 PolarHBondContact NZ-OE2 3.27Å; K703-E707 WeakPolarHBondContact O-CG 3.4Å; K703-E707 PolarHBondContact O-N 2.92Å
704	K	79.3	Confident	75.6	Confident	115 Å²	115	96.1 Å²	96.1	50%	0.5	48%	0.476	S	S	.	.	H	α-helix	trans	-57	-49.6	177.4	-166.3	-158.8	178.4	-63.9	0	111.1	P700 E701 R706 E707 D708	P700-K704 PolarHBondContact O-N 2.75Å; E701-K704 PolarHBondContact O-N 2.84Å; K704-R706 PolarHBondContact O-N 2.92Å; K704-E707 CarbonylContact O-C 3.57Å; K704-E707 PolarHBondContact O-N 3.33Å; K704-D708 IonicContact NZ-OD1 2.68Å; K704-D708 PolarHBondContact NZ-OD1 3.09Å; K704-D708 IonicContact NZ-OD2 2.6Å; K704-D708 PolarHBondContact NZ-OD2 3.3Å; K704-D708 WeakPolarHBondContact O-CB 3.23Å; K704-D708 PolarHBondContact O-N 3.42Å
705	N	77.5	Confident	74	Confident	102 Å²	102	98.9 Å²	98.9	55%	0.545	49%	0.487	S	S	.	.	H	α-helix	trans	-62.6	-27.8	-179.8	-65.2	-3.8	0	0	0	113	E701 K703 R709	E701-N705 WeakPolarHBondContact O-CB 3.39Å; E701-N705 PolarHBondContact O-N 2.92Å; E701-N705 PolarHBondContact O-OD1 3.43Å; K703-N705 PolarHBondContact O-N 3Å; N705-R709 WeakPolarHBondContact O-CB 3.47Å; N705-R709 PolarHBondContact O-N 2.93Å
706	R	75	Confident	72.4	Confident	79 Å²	79	102 Å²	102	30%	0.298	50%	0.497	S	S	.	.	H	α-helix	trans	-73.6	-45.9	171.2	-174.5	178.7	65.9	66.6	12.4	111.3	E696 V702 K703 K704 R709 E710	E696-R706 IonicContact OE1-NE 2.74Å; E696-R706 PolarHBondContact OE1-NE 3.41Å; E696-R706 IonicContact OE1-NH2 2.75Å; V702-R706 PolarHBondContact O-N 3.38Å; K703-R706 WeakPolarHBondContact O-CB 3.03Å; K703-R706 PolarHBondContact O-N 3.32Å; K703-R706 VanDerWaalsContact O-N 3.16Å; K704-R706 PolarHBondContact O-N 2.92Å; R706-R709 PolarHBondContact O-N 2.79Å; R706-E710 WeakPolarHBondContact CD-OE1 3.29Å; R706-E710 WeakPolarHBondContact CG-OE1 3.32Å; R706-E710 IonicContact CZ-OE1 3.91Å; R706-E710 IonicContact CZ-OE2 3.51Å; R706-E710 IonicContact NH1-OE1 3.23Å; R706-E710 PolarHBondContact NH1-OE1 2.86Å; R706-E710 IonicContact NH1-OE2 2.68Å; R706-E710 PolarHBondContact NH1-OE2 3.46Å; R706-E710 WeakPolarHBondContact O-CB 3.34Å; R706-E710 WeakPolarHBondContact O-CG 3.49Å; R706-E710 PolarHBondContact O-N 3.28Å
707	E	78.9	Confident	70.7	Confident	77 Å²	77	104.5 Å²	104.5	36%	0.36	52%	0.521	S	S	.	.	H	α-helix	trans	-67.1	-41.9	-179.7	-68.8	179.4	149.4	0	0	111.8	K703 K704 R709 E710 M711	K703-E707 VanDerWaalsContact CE-OE1 3.26Å; K703-E707 WeakPolarHBondContact CE-OE1 3.49Å; K703-E707 HydrophobicContact CG-CG 4.47Å; K703-E707 IonicContact NZ-OE1 2.61Å; K703-E707 PolarHBondContact NZ-OE1 3.34Å; K703-E707 IonicContact NZ-OE2 2.75Å; K703-E707 PolarHBondContact NZ-OE2 3.27Å; K703-E707 WeakPolarHBondContact O-CG 3.4Å; K703-E707 PolarHBondContact O-N 2.92Å; K704-E707 CarbonylContact O-C 3.57Å; K704-E707 PolarHBondContact O-N 3.33Å; E707-R709 VanDerWaalsContact C-N 3.32Å; E707-R709 PolarHBondContact O-N 3.25Å; E707-E710 PolarHBondContact O-N 3.16Å; E707-M711 WeakPolarHBondContact O-CB 3.18Å; E707-M711 VanDerWaalsContact O-CG 3.23Å; E707-M711 WeakPolarHBondContact O-CG 3.28Å; E707-M711 PolarHBondContact O-N 2.89Å
708	D	75.3	Confident	68.7	Low	70 Å²	70	105.2 Å²	105.2	37%	0.374	52%	0.524	S	S	.	.	H	α-helix	trans	-56.9	-44	171.5	-64.2	-26.2	0	0	0	111.4	K704 M711 G712	K704-D708 IonicContact NZ-OD1 2.68Å; K704-D708 PolarHBondContact NZ-OD1 3.09Å; K704-D708 IonicContact NZ-OD2 2.6Å; K704-D708 PolarHBondContact NZ-OD2 3.3Å; K704-D708 WeakPolarHBondContact O-CB 3.23Å; K704-D708 PolarHBondContact O-N 3.42Å; D708-M711 PolarHBondContact O-N 3.41Å; D708-G712 PolarHBondContact O-N 2.97Å
709	R	72.6	Confident	66.7	Low	143 Å²	143	106.3 Å²	106.3	54%	0.54	53%	0.533	S	S	.	.	H	α-helix	trans	-71.1	-35.4	179.2	-172.4	173.8	-176.7	170	1.9	112.8	N705 R706 E707 N713 T737	N705-R709 WeakPolarHBondContact O-CB 3.47Å; N705-R709 PolarHBondContact O-N 2.93Å; R706-R709 PolarHBondContact O-N 2.79Å; E707-R709 VanDerWaalsContact C-N 3.32Å; E707-R709 PolarHBondContact O-N 3.25Å; R709-N713 PolarHBondContact O-N 2.99Å; R709-T737 PolarHBondContact NH2-OG1 3.49Å
710	E	68.1	Low	64.7	Low	100 Å²	100	105 Å²	105	47%	0.467	54%	0.544	S	S	.	.	H	α-helix	trans	-71.4	-35.6	174.8	-74.2	168.8	-166.2	0	0	111.4	R706 E707 T714	R706-E710 WeakPolarHBondContact CD-OE1 3.29Å; R706-E710 WeakPolarHBondContact CG-OE1 3.32Å; R706-E710 IonicContact CZ-OE1 3.91Å; R706-E710 IonicContact CZ-OE2 3.51Å; R706-E710 IonicContact NH1-OE1 3.23Å; R706-E710 PolarHBondContact NH1-OE1 2.86Å; R706-E710 IonicContact NH1-OE2 2.68Å; R706-E710 PolarHBondContact NH1-OE2 3.46Å; R706-E710 WeakPolarHBondContact O-CB 3.34Å; R706-E710 WeakPolarHBondContact O-CG 3.49Å; R706-E710 PolarHBondContact O-N 3.28Å; E707-E710 PolarHBondContact O-N 3.16Å; E710-T714 PolarHBondContact O-OG1 2.99Å
711	M	66.5	Low	63.1	Low	133 Å²	133	107.4 Å²	107.4	66%	0.655	56%	0.557	S	S	*	*	H	α-helix	trans	-68.8	-49.2	174.1	-72.9	-64.8	-62.6	0	0	112.6	E707 D708 N713 T714 E715	E707-M711 WeakPolarHBondContact O-CB 3.18Å; E707-M711 VanDerWaalsContact O-CG 3.23Å; E707-M711 WeakPolarHBondContact O-CG 3.28Å; E707-M711 PolarHBondContact O-N 2.89Å; D708-M711 PolarHBondContact O-N 3.41Å; M711-N713 PolarHBondContact O-N 2.91Å; M711-T714 WeakPolarHBondContact O-CB 3.5Å; M711-T714 PolarHBondContact O-N 3.34Å; M711-E715 PolarHBondContact O-N 2.93Å
712	G	58.3	Low	61.4	Low	16 Å²	16	107.7 Å²	107.7	17%	0.165	56%	0.563	C	S	.	*	H	α-helix	trans	-60.9	-27.1	179.1	0	0	0	0	0	113.7	D708 T714 Y716	D708-G712 PolarHBondContact O-N 2.97Å; G712-T714 VanDerWaalsContact C-N 3.34Å; G712-Y716 WeakPolarHBondContact O-CD2 3.18Å
713	N	57.5	Low	60.1	Low	114 Å²	114	112.8 Å²	112.8	61%	0.61	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-12.4	173	-113.6	87	0	0	0	114.3	R709 M711	R709-N713 PolarHBondContact O-N 2.99Å; M711-N713 PolarHBondContact O-N 2.91Å
714	T	58.8	Low	58.4	Low	94 Å²	94	115.6 Å²	115.6	58%	0.577	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-28.7	-176.7	-59.3	0	0	0	0	112.4	E710 M711 G712 Y716 A717	E710-T714 PolarHBondContact O-OG1 2.99Å; M711-T714 WeakPolarHBondContact O-CB 3.5Å; M711-T714 PolarHBondContact O-N 3.34Å; G712-T714 VanDerWaalsContact C-N 3.34Å; T714-Y716 VanDerWaalsContact C-N 3.35Å; T714-Y716 PolarHBondContact O-N 3.07Å; T714-A717 WeakPolarHBondContact O-CB 3.28Å; T714-A717 PolarHBondContact O-N 3.11Å
715	E	52	Low	56.7	Low	164 Å²	164	114.8 Å²	114.8	77%	0.766	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-69.1	-29	-173.3	-167.6	151	-149	0	0	113.8	M711 A717	M711-E715 PolarHBondContact O-N 2.93Å; E715-A717 VanDerWaalsContact C-N 3.25Å; E715-A717 PolarHBondContact O-N 3.33Å
716	Y	52.3	Low	54.7	Low	169 Å²	169	114.2 Å²	114.2	66%	0.663	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-78.3	3.2	176.5	-65	-75.6	0	0	0	114.9	G712 T714	G712-Y716 WeakPolarHBondContact O-CD2 3.18Å; T714-Y716 VanDerWaalsContact C-N 3.35Å; T714-Y716 PolarHBondContact O-N 3.07Å
717	A	50.2	Low	52.7	Low	75 Å²	75	113.8 Å²	113.8	62%	0.62	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-96.7	17.5	-170.7	0	0	0	0	0	115.5	T714 E715 P719	T714-A717 WeakPolarHBondContact O-CB 3.28Å; T714-A717 PolarHBondContact O-N 3.11Å; E715-A717 VanDerWaalsContact C-N 3.25Å; E715-A717 PolarHBondContact O-N 3.33Å; A717-P719 WeakPolarHBondContact O-CD 3.46Å
718	K	47.8	Very low	50.9	Low	187 Å²	187	117.8 Å²	117.8	81%	0.813	68%	0.684	S	S	*	*			trans	-93.6	118.6	176.7	-81.9	-176.4	175.3	174.5	0	112.3
719	P	41.1	Very low	49	Very low	129 Å²	129	119 Å²	119	84%	0.838	70%	0.698	S	S	*	*			trans	-86.6	142.5	168.7	34.1	-32.6	0	0	0	111.7	A717	A717-P719 WeakPolarHBondContact O-CD 3.46Å
720	G	36.8	Very low	47.2	Very low	67 Å²	67	120.1 Å²	120.1	69%	0.691	72%	0.715	S	S	*	*			trans	84.5	147.8	-172.1	0	0	0	0	0	112.2
721	V	44.4	Very low	46	Very low	137 Å²	137	123.8 Å²	123.8	83%	0.83	74%	0.736	S	S	*	*			cis	-126.4	155.7	17.3	-176.4	0	0	0	0	110.7
722	D	42.7	Very low	44.6	Very low	157 Å²	157	124.3 Å²	124.3	84%	0.84	74%	0.742	S	S	*	*			trans	-62	125.7	173.2	-41	-108.7	0	0	0	112.2
723	D	48.7	Very low	43.5	Very low	166 Å²	166	130.8 Å²	130.8	89%	0.888	77%	0.773	S	S	*	*			trans	-154.7	162.8	147.3	-148.4	-10.5	0	0	0	111
724	D	42.6	Very low	42.3	Very low	134 Å²	134	128.1 Å²	128.1	72%	0.717	77%	0.772	S	S	*	*			trans	-94.6	179.1	-174.4	178	50.9	0	0	0	113.2
725	S	44.3	Very low	41.5	Very low	97 Å²	97	127 Å²	127	68%	0.678	77%	0.768	S	S	*	*			trans	72.8	83.7	157.4	-78.2	0	0	0	0	118.3
726	G	36	Very low	41.3	Very low	90 Å²	90	125.4 Å²	125.4	93%	0.928	76%	0.761	S	S	*	*				60.3	98.3	126.3	0	0	0	0	0	120
727	G	33.1	Very low	41	Very low	71 Å²	71	121.4 Å²	121.4	73%	0.732	75%	0.754	S	S	*	*			trans	-144.3	69.3	172.3	0	0	0	0	0	114.1	S729	G727-S729 PolarHBondContact O-N 3.15Å
728	V	39.6	Very low	41	Very low	160 Å²	160	120.8 Å²	120.8	97%	0.97	74%	0.742	S	S	*	*			trans	-83.6	87.1	176.7	-76.4	0	0	0	0	112
729	S	36.8	Very low	41.5	Very low	95 Å²	95	117 Å²	117	66%	0.664	74%	0.737	S	S	*	*			trans	-143.6	105.8	174.7	60.3	0	0	0	0	114	G727 L731	G727-S729 PolarHBondContact O-N 3.15Å; S729-L731 PolarHBondContact O-N 3.04Å
730	N	34.2	Very low	42.3	Very low	168 Å²	168	117.4 Å²	117.4	90%	0.898	72%	0.723	S	S	*	*			trans	15.2	85	152.3	-59.6	-12.5	0	0	0	117.8
731	L	42.9	Very low	43.8	Very low	176 Å²	176	117.6 Å²	117.6	92%	0.921	71%	0.708	S	S	*	*			trans	-113.6	93.6	154.5	-80.7	173.2	0	0	0	109.8	S729	S729-L731 PolarHBondContact O-N 3.04Å
732	N	37.7	Very low	45.2	Very low	145 Å²	145	114 Å²	114	78%	0.775	69%	0.692	S	S	*	*			trans	-73.3	157	166.1	171.7	67.9	0	0	0	110.5
733	D	33.2	Very low	46.9	Very low	152 Å²	152	110.4 Å²	110.4	81%	0.813	67%	0.672	S	S	*	*			trans	75.5	136.5	166.6	-139.6	-16.2	0	0	0	118.2
734	G	33.9	Very low	48.2	Very low	57 Å²	57	106.1 Å²	106.1	59%	0.588	65%	0.647	S	S	*	*			trans	98.7	123.4	163.7	0	0	0	0	0	119.3
735	S	41.9	Very low	49.8	Very low	70 Å²	70	105.9 Å²	105.9	49%	0.49	64%	0.641	S	S	.	*			trans	62.2	49.6	142.6	-162.3	0	0	0	0	121.1
736	Q	46.3	Very low	51.2	Low	132 Å²	132	105.3 Å²	105.3	62%	0.617	63%	0.629	S	S	*	*			trans	-133	115.1	141.6	-69	-166.9	15.2	0	0	110.2	T738	Q736-T738 PolarHBondContact O-N 3.49Å; Q736-T738 VanDerWaalsContact O-N 3.16Å
737	T	47.7	Very low	53.4	Low	85 Å²	85	104.4 Å²	104.4	52%	0.521	60%	0.603	S	S	.	*			trans	-77.7	100.2	168.1	54.7	0	0	0	0	108.6	R709	R709-T737 PolarHBondContact NH2-OG1 3.49Å
738	T	48.5	Very low	55.9	Low	61 Å²	61	105.6 Å²	105.6	37%	0.374	59%	0.588	S	S	.	*			trans	-66.8	160.4	178.7	70.5	0	0	0	0	110.4	Q736 Y740 D741	Q736-T738 PolarHBondContact O-N 3.49Å; Q736-T738 VanDerWaalsContact O-N 3.16Å; T738-Y740 PolarHBondContact O-N 2.99Å; T738-Y740 WeakPolarHBondContact OG1-CB 3.39Å; T738-Y740 PolarHBondContact OG1-N 3.2Å; T738-D741 WeakPolarHBondContact CA-OD2 3.44Å; T738-D741 WeakPolarHBondContact CB-OD2 3.43Å; T738-D741 PolarHBondContact N-OD2 3.42Å; T738-D741 PolarHBondContact O-N 3.12Å; T738-D741 VanDerWaalsContact O-N 3.08Å; T738-D741 PolarHBondContact OG1-N 3.23Å; T738-D741 PolarHBondContact OG1-OD2 3.14Å
739	P	58.8	Low	57.9	Low	109 Å²	109	103.3 Å²	103.3	71%	0.708	57%	0.57	S	S	*	*	H	α-helix	trans	-57.8	-20.7	172.1	-25.9	35.9	0	0	0	113.7	I743	P739-I743 WeakPolarHBondContact O-CD1 3.46Å; P739-I743 VanDerWaalsContact O-CG1 3.31Å; P739-I743 WeakPolarHBondContact O-CG1 3.36Å; P739-I743 PolarHBondContact O-N 3.33Å
740	Y	59	Low	60.2	Low	136 Å²	136	104.3 Å²	104.3	53%	0.533	56%	0.562	S	S	.	*	H	α-helix	trans	-68.3	-42.3	175.5	-170.5	-88.3	0	0	0	111.7	T738 A742 I743 E744	T738-Y740 PolarHBondContact O-N 2.99Å; T738-Y740 WeakPolarHBondContact OG1-CB 3.39Å; T738-Y740 PolarHBondContact OG1-N 3.2Å; Y740-A742 PolarHBondContact O-N 2.83Å; Y740-I743 WeakPolarHBondContact O-CB 3.33Å; Y740-I743 PolarHBondContact O-N 3.3Å; Y740-I743 VanDerWaalsContact O-N 3.14Å; Y740-E744 WeakPolarHBondContact CE1-OE2 3.18Å; Y740-E744 PolarHBondContact O-N 3.12Å
741	D	67.3	Low	62.6	Low	72 Å²	72	104 Å²	104	39%	0.385	56%	0.556	S	S	.	*	H	α-helix	trans	-62.2	-43.2	-178.4	-59.4	-64.2	0	0	0	112.1	T738 I743 E744 E745	T738-D741 WeakPolarHBondContact CA-OD2 3.44Å; T738-D741 WeakPolarHBondContact CB-OD2 3.43Å; T738-D741 PolarHBondContact N-OD2 3.42Å; T738-D741 PolarHBondContact O-N 3.12Å; T738-D741 VanDerWaalsContact O-N 3.08Å; T738-D741 PolarHBondContact OG1-N 3.23Å; T738-D741 PolarHBondContact OG1-OD2 3.14Å; D741-I743 VanDerWaalsContact C-N 3.3Å; D741-I743 PolarHBondContact O-N 3.37Å; D741-E744 PolarHBondContact O-N 2.92Å; D741-E745 WeakPolarHBondContact O-CB 3.47Å; D741-E745 PolarHBondContact O-N 3.49Å
742	A	73.2	Confident	64.6	Low	60 Å²	60	104.6 Å²	104.6	50%	0.496	55%	0.547	S	S	.	.	H	α-helix	trans	-66.8	-31.4	176.8	0	0	0	0	0	112.7	Y740 M746	Y740-A742 PolarHBondContact O-N 2.83Å; A742-M746 VanDerWaalsContact O-CB 3.29Å; A742-M746 WeakPolarHBondContact O-CB 3.26Å; A742-M746 PolarHBondContact O-N 2.84Å
743	I	79	Confident	66.9	Low	82 Å²	82	100.8 Å²	100.8	42%	0.421	54%	0.535	S	S	.	.	H	α-helix	trans	-71.4	-39.5	173	-69	167.4	0	0	0	110.3	P739 Y740 D741 M746 N747	P739-I743 WeakPolarHBondContact O-CD1 3.46Å; P739-I743 VanDerWaalsContact O-CG1 3.31Å; P739-I743 WeakPolarHBondContact O-CG1 3.36Å; P739-I743 PolarHBondContact O-N 3.33Å; Y740-I743 WeakPolarHBondContact O-CB 3.33Å; Y740-I743 PolarHBondContact O-N 3.3Å; Y740-I743 VanDerWaalsContact O-N 3.14Å; D741-I743 VanDerWaalsContact C-N 3.3Å; D741-I743 PolarHBondContact O-N 3.37Å; I743-M746 HydrophobicContact CG2-CE 4.33Å; I743-M746 PolarHBondContact O-N 2.86Å; I743-N747 WeakPolarHBondContact O-CB 3.32Å; I743-N747 PolarHBondContact O-N 2.8Å; I743-N747 PolarHBondContact O-ND2 3.45Å
744	E	76	Confident	69.4	Low	77 Å²	77	101.2 Å²	101.2	36%	0.36	54%	0.536	S	S	.	.	H	α-helix	trans	-69.2	-41.3	177.5	-156.8	-177.3	112.4	0	0	112.1	Y740 D741 N747 K748	Y740-E744 WeakPolarHBondContact CE1-OE2 3.18Å; Y740-E744 PolarHBondContact O-N 3.12Å; D741-E744 PolarHBondContact O-N 2.92Å; E744-N747 PolarHBondContact O-N 3.29Å; E744-K748 HydrophobicContact CG-CD 4.49Å; E744-K748 WeakPolarHBondContact O-CG 3.29Å; E744-K748 PolarHBondContact O-N 3.4Å; E744-K748 VanDerWaalsContact OE1-CE 3.26Å; E744-K748 WeakPolarHBondContact OE1-CE 3.26Å; E744-K748 IonicContact OE1-NZ 3.97Å; E744-K748 PolarHBondContact OE1-NZ 2.91Å
745	E	76.3	Confident	71.7	Confident	128 Å²	128	105.5 Å²	105.5	60%	0.598	55%	0.545	S	S	*	.	H	α-helix	trans	-60.4	-47.4	171.7	-175.1	176.2	-157.4	0	0	111.3	D741 N747 K748 L749	D741-E745 WeakPolarHBondContact O-CB 3.47Å; D741-E745 PolarHBondContact O-N 3.49Å; E745-N747 VanDerWaalsContact C-N 3.27Å; E745-N747 PolarHBondContact O-N 2.89Å; E745-K748 PolarHBondContact O-N 2.98Å; E745-L749 HydrophobicContact CG-CD1 4.22Å; E745-L749 WeakPolarHBondContact O-CB 3.38Å; E745-L749 WeakPolarHBondContact O-CG 3.49Å; E745-L749 PolarHBondContact O-N 3.36Å
746	M	74.8	Confident	73.6	Confident	85 Å²	85	106.8 Å²	106.8	42%	0.419	55%	0.552	S	S	.	*	H	α-helix	trans	-59.1	-37.4	173.8	179.2	-164.7	45.5	0	0	112	A742 I743 L749 K750	A742-M746 VanDerWaalsContact O-CB 3.29Å; A742-M746 WeakPolarHBondContact O-CB 3.26Å; A742-M746 PolarHBondContact O-N 2.84Å; I743-M746 HydrophobicContact CG2-CE 4.33Å; I743-M746 PolarHBondContact O-N 2.86Å; M746-L749 PolarHBondContact O-N 3.21Å; M746-K750 VanDerWaalsContact CE-NZ 3.28Å; M746-K750 WeakPolarHBondContact O-CG 3.44Å; M746-K750 PolarHBondContact O-N 3.11Å; M746-K750 PolarHBondContact SD-NZ 3.31Å
747	N	81.2	Confident	75.5	Confident	72 Å²	72	106.5 Å²	106.5	39%	0.385	56%	0.561	S	S	.	*	H	α-helix	trans	-72.7	-39.3	179.4	-70.7	-21.3	0	0	0	112	I743 E744 E745 L749 K750 E751	I743-N747 WeakPolarHBondContact O-CB 3.32Å; I743-N747 PolarHBondContact O-N 2.8Å; I743-N747 PolarHBondContact O-ND2 3.45Å; E744-N747 PolarHBondContact O-N 3.29Å; E745-N747 VanDerWaalsContact C-N 3.27Å; E745-N747 PolarHBondContact O-N 2.89Å; N747-L749 VanDerWaalsContact C-N 3.34Å; N747-L749 PolarHBondContact O-N 2.99Å; N747-K750 WeakPolarHBondContact O-CB 3.43Å; N747-K750 PolarHBondContact O-N 2.88Å; N747-K750 VanDerWaalsContact O-N 3.15Å; N747-K750 PolarHBondContact OD1-NZ 3.31Å; N747-K750 VanDerWaalsContact OD1-NZ 3.09Å; N747-E751 PolarHBondContact O-N 2.87Å
748	K	85.8	Confident	77.3	Confident	96 Å²	96	107 Å²	107	42%	0.417	56%	0.564	S	S	.	*	H	α-helix	trans	-58.8	-44.4	169.1	-72.3	159.4	172.9	165.8	0	111.2	E744 E745 K750 E751 Y752	E744-K748 HydrophobicContact CG-CD 4.49Å; E744-K748 WeakPolarHBondContact O-CG 3.29Å; E744-K748 PolarHBondContact O-N 3.4Å; E744-K748 VanDerWaalsContact OE1-CE 3.26Å; E744-K748 WeakPolarHBondContact OE1-CE 3.26Å; E744-K748 IonicContact OE1-NZ 3.97Å; E744-K748 PolarHBondContact OE1-NZ 2.91Å; E745-K748 PolarHBondContact O-N 2.98Å; K748-K750 VanDerWaalsContact C-N 3.28Å; K748-K750 PolarHBondContact O-N 3.22Å; K748-E751 WeakPolarHBondContact O-CB 3.48Å; K748-E751 PolarHBondContact O-N 2.91Å; K748-E751 VanDerWaalsContact O-N 3.11Å; K748-Y752 HydrophobicContact CB-CE2 4.29Å; K748-Y752 WeakPolarHBondContact O-CD2 3.38Å; K748-Y752 PolarHBondContact O-N 3.36Å; K748-Y752 VanDerWaalsContact O-N 3.07Å
749	L	81.6	Confident	79	Confident	112 Å²	112	109.8 Å²	109.8	59%	0.586	58%	0.575	S	S	*	*	H	α-helix	trans	-62.2	-30.8	175.3	-72.4	169.2	0	0	0	113.4	E745 M746 N747 A753	E745-L749 HydrophobicContact CG-CD1 4.22Å; E745-L749 WeakPolarHBondContact O-CB 3.38Å; E745-L749 WeakPolarHBondContact O-CG 3.49Å; E745-L749 PolarHBondContact O-N 3.36Å; M746-L749 PolarHBondContact O-N 3.21Å; N747-L749 VanDerWaalsContact C-N 3.34Å; N747-L749 PolarHBondContact O-N 2.99Å; L749-A753 WeakPolarHBondContact O-CB 3.33Å; L749-A753 PolarHBondContact O-N 2.82Å
750	K	85.3	Confident	80.3	Confident	116 Å²	116	109.2 Å²	109.2	50%	0.504	57%	0.565	S	S	.	*	H	α-helix	trans	-74.2	-35.1	171.7	-69.9	166.4	-168.5	157	0	112.7	M746 N747 K748 Y752 A753	M746-K750 VanDerWaalsContact CE-NZ 3.28Å; M746-K750 WeakPolarHBondContact O-CG 3.44Å; M746-K750 PolarHBondContact O-N 3.11Å; M746-K750 PolarHBondContact SD-NZ 3.31Å; N747-K750 WeakPolarHBondContact O-CB 3.43Å; N747-K750 PolarHBondContact O-N 2.88Å; N747-K750 VanDerWaalsContact O-N 3.15Å; N747-K750 PolarHBondContact OD1-NZ 3.31Å; N747-K750 VanDerWaalsContact OD1-NZ 3.09Å; K748-K750 VanDerWaalsContact C-N 3.28Å; K748-K750 PolarHBondContact O-N 3.22Å; K750-Y752 VanDerWaalsContact C-N 3.32Å; K750-A753 WeakPolarHBondContact O-CB 3.46Å; K750-A753 PolarHBondContact O-N 3.13Å; K750-A753 VanDerWaalsContact O-N 3.16Å
751	E	83.9	Confident	81.5	Confident	162 Å²	162	102.7 Å²	102.7	76%	0.757	54%	0.54	S	S	*	.	H	α-helix	trans	-66.6	-34.7	177.2	-170.9	169.4	-163.7	0	0	111.7	N747 K748 A753	N747-E751 PolarHBondContact O-N 2.87Å; K748-E751 WeakPolarHBondContact O-CB 3.48Å; K748-E751 PolarHBondContact O-N 2.91Å; K748-E751 VanDerWaalsContact O-N 3.11Å; E751-A753 VanDerWaalsContact C-N 3.35Å
752	Y	84.8	Confident	82.3	Confident	188 Å²	188	103.8 Å²	103.8	74%	0.737	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-8.2	171.4	-58.5	-54.8	0	0	0	114.6	K748 K750 I754	K748-Y752 HydrophobicContact CB-CE2 4.29Å; K748-Y752 WeakPolarHBondContact O-CD2 3.38Å; K748-Y752 PolarHBondContact O-N 3.36Å; K748-Y752 VanDerWaalsContact O-N 3.07Å; K750-Y752 VanDerWaalsContact C-N 3.32Å; Y752-I754 PolarHBondContact O-N 3.34Å
753	A	86.5	Confident	82.8	Confident	64 Å²	64	105 Å²	105	53%	0.529	54%	0.542	S	S	.	.	S	Bend	trans	-84.1	116.9	-176.9	0	0	0	0	0	111.5	L749 K750 E751 D755	L749-A753 WeakPolarHBondContact O-CB 3.33Å; L749-A753 PolarHBondContact O-N 2.82Å; K750-A753 WeakPolarHBondContact O-CB 3.46Å; K750-A753 PolarHBondContact O-N 3.13Å; K750-A753 VanDerWaalsContact O-N 3.16Å; E751-A753 VanDerWaalsContact C-N 3.35Å; A753-D755 PolarHBondContact O-N 3.22Å; A753-D755 VanDerWaalsContact O-N 3.16Å
754	I	86.5	Confident	83.1	Confident	161 Å²	161	104 Å²	104	83%	0.826	54%	0.535	S	S	*	.			trans	-67.6	111.5	172.4	-56.9	174.8	0	0	0	108.9	Y752 P756	Y752-I754 PolarHBondContact O-N 3.34Å; I754-P756 VanDerWaalsContact O-CD 3.29Å; I754-P756 WeakPolarHBondContact O-CD 3.47Å
755	D	81.1	Confident	83.4	Confident	147 Å²	147	105.8 Å²	105.8	79%	0.786	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-71.4	116.3	174.5	-170.8	26.3	0	0	0	110.6	A753	A753-D755 PolarHBondContact O-N 3.22Å; A753-D755 VanDerWaalsContact O-N 3.16Å
756	P	82.4	Confident	83.6	Confident	97 Å²	97	108.4 Å²	108.4	63%	0.63	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-70.9	134.6	-176.2	-18.8	33.3	0	0	0	111.9	I754 V758	I754-P756 VanDerWaalsContact O-CD 3.29Å; I754-P756 WeakPolarHBondContact O-CD 3.47Å; P756-V758 PolarHBondContact O-N 2.95Å
757	P	85	Confident	83.6	Confident	126 Å²	126	112.8 Å²	112.8	82%	0.818	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-60.8	133.8	-177.8	24.4	-34.1	0	0	0	112	M759	P757-M759 PolarHBondContact O-N 3.07Å
758	V	86	Confident	82.8	Confident	96 Å²	96	115.9 Å²	115.9	58%	0.582	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-55.7	126.3	-178.2	179.8	0	0	0	0	110.7	P756 L760	P756-V758 PolarHBondContact O-N 2.95Å; V758-L760 PolarHBondContact O-N 3.33Å
759	M	84.7	Confident	82.3	Confident	120 Å²	120	120.1 Å²	120.1	59%	0.591	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-50.7	124.9	-178.5	-61.5	-175.3	83.9	0	0	111.8	R656 P757	R656-M759 PolarHBondContact NH1-O 3.3Å; R656-M759 PolarHBondContact NH2-O 2.99Å; P757-M759 PolarHBondContact O-N 3.07Å
760	L	85.2	Confident	82	Confident	96 Å²	96	120.3 Å²	120.3	50%	0.503	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-54.2	141.9	177.6	-65.7	178.3	0	0	0	111.8	V758 Q764 R765	V758-L760 PolarHBondContact O-N 3.33Å; L760-Q764 HydrophobicContact CB-CB 4.19Å; L760-Q764 HydrophobicContact CD2-CB 4.5Å; L760-R765 HydrophobicContact CB-CG 3.97Å; L760-R765 PolarHBondContact O-NE 3.3Å; L760-R765 PolarHBondContact O-NH2 2.88Å
761	A	85.8	Confident	81.6	Confident	0 Å²	0	118.1 Å²	118.1	0%	0	59%	0.586	C	S	.	*	P	Polyproline II helix	trans	-63.8	149.5	174.1	0	0	0	0	0	110.9	W763 Q764 R765	A761-W763 HydrophobicContact CB-CG 4.47Å; A761-W763 PolarHBondContact O-N 3.34Å; A761-W763 VanDerWaalsContact O-N 3.08Å; A761-Q764 HydrophobicContact CB-CG 4.28Å; A761-Q764 WeakPolarHBondContact O-CA 3.45Å; A761-Q764 WeakPolarHBondContact O-CB 3.38Å; A761-Q764 PolarHBondContact O-N 3.09Å; A761-R765 PolarHBondContact O-N 2.89Å
762	P	83.8	Confident	81.5	Confident	94 Å²	94	117.4 Å²	117.4	61%	0.61	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	-34	-177	-28.5	35.8	0	0	0	114.4	R765	P762-R765 PolarHBondContact O-N 3.46Å
763	W	83.3	Confident	81.1	Confident	86 Å²	86	113.3 Å²	113.3	33%	0.326	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.4	-25.8	176.6	68.6	-95.8	0	0	0	113.7	R649 A761 Y767	R649-W763 VanDerWaalsContact NH2-CH2 3.28Å; A761-W763 HydrophobicContact CB-CG 4.47Å; A761-W763 PolarHBondContact O-N 3.34Å; A761-W763 VanDerWaalsContact O-N 3.08Å; W763-Y767 HydrophobicContact CE3-CE2 4.15Å; W763-Y767 HydrophobicContact CZ3-CE2 4.31Å
764	Q	84.3	Confident	80.4	Confident	60 Å²	60	113.9 Å²	113.9	28%	0.28	59%	0.594	S	S	.	*	G	3₁₀ helix	trans	-73.7	-36.5	172.8	-67.7	173.6	-68.1	0	0	110.8	L760 A761 R766 Y767	L760-Q764 HydrophobicContact CB-CB 4.19Å; L760-Q764 HydrophobicContact CD2-CB 4.5Å; A761-Q764 HydrophobicContact CB-CG 4.28Å; A761-Q764 WeakPolarHBondContact O-CA 3.45Å; A761-Q764 WeakPolarHBondContact O-CB 3.38Å; A761-Q764 PolarHBondContact O-N 3.09Å; Q764-R766 PolarHBondContact O-N 3.32Å; Q764-Y767 PolarHBondContact O-N 3.2Å
765	R	82.6	Confident	80	Confident	115 Å²	115	111 Å²	111	43%	0.434	58%	0.58	S	S	.	*	G	3₁₀ helix	trans	-65	-0.7	177.1	-57.6	-178.8	-159	-177.4	4.4	114.4	L760 A761 P762 Q768	L760-R765 HydrophobicContact CB-CG 3.97Å; L760-R765 PolarHBondContact O-NE 3.3Å; L760-R765 PolarHBondContact O-NH2 2.88Å; A761-R765 PolarHBondContact O-N 2.89Å; P762-R765 PolarHBondContact O-N 3.46Å; R765-Q768 WeakPolarHBondContact O-CG 3.37Å; R765-Q768 PolarHBondContact O-NE2 2.92Å
766	R	80.9	Confident	80	Confident	184 Å²	184	107.6 Å²	107.6	69%	0.694	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-87.8	-16.6	169.6	-60.6	-167.3	-59.3	-118.5	6.5	113.1	Q764	Q764-R766 PolarHBondContact O-N 3.32Å
767	Y	74.3	Confident	79.9	Confident	176 Å²	176	109.3 Å²	109.3	69%	0.69	57%	0.57	S	S	*	*	S	Bend	trans	-101.6	78.1	174.5	-50.6	-66.7	0	0	0	108.6	W763 Q764	W763-Y767 HydrophobicContact CE3-CE2 4.15Å; W763-Y767 HydrophobicContact CZ3-CE2 4.31Å; Q764-Y767 PolarHBondContact O-N 3.2Å
768	Q	65.8	Low	79.8	Confident	137 Å²	137	107.2 Å²	107.2	64%	0.64	55%	0.552	S	S	*	*			trans	-105.6	130.7	177	-65.4	-176.3	46.9	0	0	110	R765 I770	R765-Q768 WeakPolarHBondContact O-CG 3.37Å; R765-Q768 PolarHBondContact O-NE2 2.92Å; Q768-I770 HydrophobicContact CB-CG1 4.23Å
769	F	75.1	Confident	79.6	Confident	186 Å²	186	106.8 Å²	106.8	82%	0.816	55%	0.552	S	S	*	*			trans	-83.7	105.4	157.8	178.3	-103.2	0	0	0	107.1	C771	F769-C771 HydrophobicContact CD1-CB 4.14Å; F769-C771 HydrophobicContact CE1-CB 3.74Å; F769-C771 PolarHBondContact O-N 3.19Å
770	I	74.5	Confident	79.5	Confident	116 Å²	116	107.1 Å²	107.1	60%	0.595	55%	0.547	S	S	*	.			trans	-84.5	110.2	177.4	-57.9	177.6	0	0	0	107.3	Q768 E772	Q768-I770 HydrophobicContact CB-CG1 4.23Å; I770-E772 HydrophobicContact CG2-CG 4.04Å
771	C	77.6	Confident	79.3	Confident	69 Å²	69	104.9 Å²	104.9	47%	0.466	54%	0.542	S	S	.	.			trans	-102.2	106.8	174.7	-162.4	0	0	0	0	108.8	F769 S773	F769-C771 HydrophobicContact CD1-CB 4.14Å; F769-C771 HydrophobicContact CE1-CB 3.74Å; F769-C771 PolarHBondContact O-N 3.19Å; C771-S773 PolarHBondContact SG-OG 3.13Å
772	E	80.9	Confident	79	Confident	147 Å²	147	108.9 Å²	108.9	69%	0.687	56%	0.56	S	S	*	*			trans	-83.2	-16.1	-177.2	-61.1	-173.7	167.1	0	0	112.9	I770 G774 L775	I770-E772 HydrophobicContact CG2-CG 4.04Å; E772-G774 PolarHBondContact O-N 3.49Å; E772-L775 WeakPolarHBondContact O-CB 3.17Å; E772-L775 PolarHBondContact O-N 2.6Å
773	S	76.5	Confident	78.8	Confident	103 Å²	103	109.2 Å²	109.2	72%	0.72	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	106	178.4	62.3	0	0	0	0	110.9	C771	C771-S773 PolarHBondContact SG-OG 3.13Å
774	G	71.9	Confident	78.7	Confident	76 Å²	76	110 Å²	110	78%	0.784	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	87.9	9.9	-174.5	0	0	0	0	0	114.6	E772 I776	E772-G774 PolarHBondContact O-N 3.49Å; G774-I776 PolarHBondContact O-N 3.48Å; G774-I776 VanDerWaalsContact O-N 3.11Å
775	L	79.1	Confident	78.3	Confident	101 Å²	101	112.1 Å²	112.1	53%	0.529	57%	0.574	S	S	.	*			trans	-70	103.8	173.9	178.5	59.7	0	0	0	110.7	E772 T777	E772-L775 WeakPolarHBondContact O-CB 3.17Å; E772-L775 PolarHBondContact O-N 2.6Å; L775-T777 HydrophobicContact CD2-CG2 4.43Å; L775-T777 HydrophobicContact CG-CG2 4.23Å; L775-T777 PolarHBondContact O-N 3.04Å; L775-T777 VanDerWaalsContact O-N 3.17Å
776	I	79.6	Confident	77.8	Confident	74 Å²	74	110.6 Å²	110.6	38%	0.379	57%	0.574	S	S	.	*			trans	-77.2	99.6	173.7	-52.8	-175.1	0	0	0	108.8	G774 C779 Q782	G774-I776 PolarHBondContact O-N 3.48Å; G774-I776 VanDerWaalsContact O-N 3.11Å; I776-C779 HydrophobicContact CG2-CB 4.21Å; I776-Q782 HydrophobicContact CG2-CB 4.23Å
777	T	81.4	Confident	77.5	Confident	134 Å²	134	106.4 Å²	106.4	82%	0.822	56%	0.562	S	S	*	*	S	Bend	trans	-74.1	-41.1	-179	51.7	0	0	0	0	112.9	L775	L775-T777 HydrophobicContact CD2-CG2 4.43Å; L775-T777 HydrophobicContact CG-CG2 4.23Å; L775-T777 PolarHBondContact O-N 3.04Å; L775-T777 VanDerWaalsContact O-N 3.17Å
778	D	82.9	Confident	77.4	Confident	82 Å²	82	102.1 Å²	102.1	44%	0.439	55%	0.552	S	S	.	*			trans	-123.9	98.4	167.8	-177.7	9.1	0	0	0	111.5	R780 A781 Q782	D778-R780 PolarHBondContact O-N 2.68Å; D778-R780 VanDerWaalsContact O-N 3.15Å; D778-R780 WeakPolarHBondContact OD1-CA 3.08Å; D778-R780 WeakPolarHBondContact OD1-CB 3.32Å; D778-R780 PolarHBondContact OD1-N 2.89Å; D778-A781 HydrophobicContact CB-CB 3.95Å; D778-A781 VanDerWaalsContact CG-N 3.33Å; D778-A781 PolarHBondContact O-N 2.95Å; D778-A781 PolarHBondContact OD1-N 2.86Å; D778-A781 VanDerWaalsContact OD2-CB 3.29Å; D778-A781 WeakPolarHBondContact OD2-CB 3.44Å; D778-A781 PolarHBondContact OD2-N 3.16Å; D778-Q782 PolarHBondContact O-N 3.44Å; D778-Q782 VanDerWaalsContact O-N 3.1Å
779	C	80.7	Confident	77.7	Confident	87 Å²	87	98.9 Å²	98.9	59%	0.588	54%	0.538	S	S	*	.	H	α-helix	trans	-57.4	-25	174	-61.8	0	0	0	0	113.3	I776 L783	I776-C779 HydrophobicContact CG2-CB 4.21Å; C779-L783 WeakPolarHBondContact O-CB 3.27Å; C779-L783 PolarHBondContact O-N 2.98Å; C779-L783 VanDerWaalsContact O-N 3.12Å
780	R	82.4	Confident	77.5	Confident	127 Å²	127	94.7 Å²	94.7	48%	0.479	53%	0.532	S	S	.	.	H	α-helix	trans	-80.3	-42.4	179.1	-165.7	-171.3	-179.9	129.3	7.5	111.3	D778 L783 Q784	D778-R780 PolarHBondContact O-N 2.68Å; D778-R780 VanDerWaalsContact O-N 3.15Å; D778-R780 WeakPolarHBondContact OD1-CA 3.08Å; D778-R780 WeakPolarHBondContact OD1-CB 3.32Å; D778-R780 PolarHBondContact OD1-N 2.89Å; R780-L783 PolarHBondContact O-N 3.32Å; R780-Q784 WeakPolarHBondContact O-CG 3.48Å; R780-Q784 PolarHBondContact O-N 2.91Å; R780-Q784 VanDerWaalsContact O-N 3.11Å; R780-Q784 PolarHBondContact O-NE2 3.25Å
781	A	81.9	Confident	77.7	Confident	48 Å²	48	93.9 Å²	93.9	40%	0.397	52%	0.524	S	S	.	.	H	α-helix	trans	-60.2	-52.9	172.6	0	0	0	0	0	111	D778 L783 Q784 E785	D778-A781 HydrophobicContact CB-CB 3.95Å; D778-A781 VanDerWaalsContact CG-N 3.33Å; D778-A781 PolarHBondContact O-N 2.95Å; D778-A781 PolarHBondContact OD1-N 2.86Å; D778-A781 VanDerWaalsContact OD2-CB 3.29Å; D778-A781 WeakPolarHBondContact OD2-CB 3.44Å; D778-A781 PolarHBondContact OD2-N 3.16Å; A781-L783 VanDerWaalsContact C-N 3.28Å; A781-L783 PolarHBondContact O-N 3.05Å; A781-Q784 WeakPolarHBondContact O-CB 3.5Å; A781-Q784 PolarHBondContact O-N 2.83Å; A781-E785 PolarHBondContact O-N 3.03Å
782	Q	79.1	Confident	78.1	Confident	84 Å²	84	91.6 Å²	91.6	39%	0.393	51%	0.506	S	S	.	.	H	α-helix	trans	-64	-31.9	-179.8	-173.9	168.8	-20.2	0	0	112.5	I776 D778 N786	I776-Q782 HydrophobicContact CG2-CB 4.23Å; D778-Q782 PolarHBondContact O-N 3.44Å; D778-Q782 VanDerWaalsContact O-N 3.1Å; Q782-N786 WeakPolarHBondContact O-CB 3.24Å; Q782-N786 PolarHBondContact O-N 3.26Å; Q782-N786 VanDerWaalsContact O-N 3.13Å; Q782-N786 PolarHBondContact O-ND2 2.98Å
783	L	80.4	Confident	78.4	Confident	101 Å²	101	86.6 Å²	86.6	53%	0.529	49%	0.487	S	S	.	.	H	α-helix	trans	-69.4	-30.5	173.2	179.7	60	0	0	0	113	C779 R780 A781 Q787	C779-L783 WeakPolarHBondContact O-CB 3.27Å; C779-L783 PolarHBondContact O-N 2.98Å; C779-L783 VanDerWaalsContact O-N 3.12Å; R780-L783 PolarHBondContact O-N 3.32Å; A781-L783 VanDerWaalsContact C-N 3.28Å; A781-L783 PolarHBondContact O-N 3.05Å; L783-Q787 VanDerWaalsContact O-CG 3.32Å; L783-Q787 WeakPolarHBondContact O-CG 3.46Å; L783-Q787 PolarHBondContact O-N 3.13Å; L783-Q787 PolarHBondContact O-NE2 3.17Å
784	Q	80.1	Confident	78.9	Confident	104 Å²	104	88.1 Å²	88.1	49%	0.486	48%	0.483	S	S	.	.	H	α-helix	trans	-73	-46.9	174.3	-73.3	164.6	112	0	0	110.9	R780 A781 N786 Q787 D788	R780-Q784 WeakPolarHBondContact O-CG 3.48Å; R780-Q784 PolarHBondContact O-N 2.91Å; R780-Q784 VanDerWaalsContact O-N 3.11Å; R780-Q784 PolarHBondContact O-NE2 3.25Å; A781-Q784 WeakPolarHBondContact O-CB 3.5Å; A781-Q784 PolarHBondContact O-N 2.83Å; Q784-N786 PolarHBondContact O-N 3.09Å; Q784-Q787 CarbonylContact O-C 3.56Å; Q784-Q787 WeakPolarHBondContact O-CA 3.47Å; Q784-Q787 WeakPolarHBondContact O-CB 3.39Å; Q784-Q787 PolarHBondContact O-N 2.98Å; Q784-D788 PolarHBondContact O-N 3.42Å; Q784-D788 VanDerWaalsContact O-N 3.12Å
785	E	76.3	Confident	79.8	Confident	104 Å²	104	91.3 Å²	91.3	49%	0.486	48%	0.477	S	S	.	.	H	α-helix	trans	-62.1	-26.3	178	-159.7	-134	132.7	0	0	113	A781 K791	A781-E785 PolarHBondContact O-N 3.03Å; E785-K791 PolarHBondContact O-NZ 3.08Å; E785-K791 IonicContact OE1-NZ 3.93Å; E785-K791 PolarHBondContact OE1-NZ 3.43Å
786	N	73	Confident	80.4	Confident	83 Å²	83	87.2 Å²	87.2	44%	0.444	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-15.2	170.9	-79.9	-63	0	0	0	113.9	Q782 Q784 H828	Q782-N786 WeakPolarHBondContact O-CB 3.24Å; Q782-N786 PolarHBondContact O-N 3.26Å; Q782-N786 VanDerWaalsContact O-N 3.13Å; Q782-N786 PolarHBondContact O-ND2 2.98Å; Q784-N786 PolarHBondContact O-N 3.09Å; N786-H828 PolarHBondContact O-NE2 3.14Å
787	Q	74.9	Confident	80.9	Confident	95 Å²	95	85.7 Å²	85.7	44%	0.444	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-12.2	173	-73.5	176.1	42.7	0	0	113	L783 Q784 L789 L832	L783-Q787 VanDerWaalsContact O-CG 3.32Å; L783-Q787 WeakPolarHBondContact O-CG 3.46Å; L783-Q787 PolarHBondContact O-N 3.13Å; L783-Q787 PolarHBondContact O-NE2 3.17Å; Q784-Q787 CarbonylContact O-C 3.56Å; Q784-Q787 WeakPolarHBondContact O-CA 3.47Å; Q784-Q787 WeakPolarHBondContact O-CB 3.39Å; Q784-Q787 PolarHBondContact O-N 2.98Å; Q787-L789 VanDerWaalsContact O-CD1 3.32Å; Q787-L789 WeakPolarHBondContact O-CD1 3.31Å; Q787-L789 PolarHBondContact O-N 2.84Å; Q787-L832 HydrophobicContact CG-CD2 4.23Å
788	D	70.5	Confident	81.3	Confident	87 Å²	87	84.6 Å²	84.6	47%	0.465	43%	0.432	S	S	.	.			trans	-67.5	101.4	-177.9	-77.8	-35.6	0	0	0	113.3	Q784 S790 K791	Q784-D788 PolarHBondContact O-N 3.42Å; Q784-D788 VanDerWaalsContact O-N 3.12Å; D788-S790 PolarHBondContact O-N 3.21Å; D788-K791 PolarHBondContact O-N 2.9Å
789	L	72.4	Confident	81.6	Confident	69 Å²	69	83 Å²	83	36%	0.361	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-69.2	3.8	173.5	-56.6	100.6	0	0	0	113.5	Q787 K791 W792 Y829 L832	Q787-L789 VanDerWaalsContact O-CD1 3.32Å; Q787-L789 WeakPolarHBondContact O-CD1 3.31Å; Q787-L789 PolarHBondContact O-N 2.84Å; L789-K791 PolarHBondContact O-N 3.43Å; L789-W792 PolarHBondContact O-N 3.36Å; L789-Y829 HydrophobicContact CD2-CD2 3.88Å; L789-Y829 HydrophobicContact CD2-CE2 3.78Å; L789-L832 HydrophobicContact CD1-CB 4.36Å; L789-L832 HydrophobicContact CD1-CD1 4.31Å; L789-L832 HydrophobicContact CD2-CB 3.94Å; L789-L832 HydrophobicContact CD2-CD1 4.42Å; L789-L832 HydrophobicContact CG-CB 4.37Å; L789-L832 HydrophobicContact CG-CD1 4.08Å
790	S	71.1	Confident	82.2	Confident	98 Å²	98	78.9 Å²	78.9	69%	0.685	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-62.3	-26.8	171.2	59	0	0	0	0	112.3	D788 W792	D788-S790 PolarHBondContact O-N 3.21Å; S790-W792 PolarHBondContact O-N 3.06Å
791	K	78.6	Confident	82.6	Confident	98 Å²	98	75.6 Å²	75.6	43%	0.426	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-68.5	4.2	176.9	-62.7	175.4	177.2	172	0	114.1	E785 D788 L789 K821	E785-K791 PolarHBondContact O-NZ 3.08Å; E785-K791 IonicContact OE1-NZ 3.93Å; E785-K791 PolarHBondContact OE1-NZ 3.43Å; D788-K791 PolarHBondContact O-N 2.9Å; L789-K791 PolarHBondContact O-N 3.43Å; K791-K821 PolarHBondContact O-NZ 3.46Å
792	W	86	Confident	83	Confident	22 Å²	22	78.3 Å²	78.3	8%	0.083	39%	0.388	C	S	.	.	S	Bend	trans	-118	126.5	177.9	-73.6	71.9	0	0	0	110.8	L789 S790 E796 K797 F800 L818 K821 D825 Y829	L789-W792 PolarHBondContact O-N 3.36Å; S790-W792 PolarHBondContact O-N 3.06Å; W792-E796 WeakPolarHBondContact CA-OE2 3.49Å; W792-E796 HydrophobicContact CE3-CB 3.91Å; W792-E796 HydrophobicContact CZ3-CB 4.39Å; W792-K797 HydrophobicContact CB-CD 4.47Å; W792-K797 HydrophobicContact CB-CG 4.05Å; W792-K797 WeakPolarHBondContact O-CE 3.48Å; W792-K797 PolarHBondContact O-NZ 2.86Å; W792-K797 VanDerWaalsContact O-NZ 3.13Å; W792-F800 HydrophobicContact CH2-CD2 4.35Å; W792-F800 HydrophobicContact CZ3-CB 4.45Å; W792-F800 HydrophobicContact CZ3-CD2 4.26Å; W792-L818 HydrophobicContact CH2-CD1 4.25Å; W792-L818 HydrophobicContact CZ3-CD1 3.96Å; W792-K821 HydrophobicContact CD2-CD 4.48Å; W792-K821 HydrophobicContact CH2-CB 4.12Å; W792-K821 HydrophobicContact CH2-CD 4.1Å; W792-K821 HydrophobicContact CH2-CG 3.78Å; W792-K821 HydrophobicContact CZ2-CB 4.46Å; W792-K821 HydrophobicContact CZ2-CD 3.88Å; W792-K821 HydrophobicContact CZ2-CG 4.09Å; W792-K821 HydrophobicContact CZ3-CD 4.5Å; W792-K821 HydrophobicContact CZ3-CG 4.08Å; W792-D825 HydrophobicContact CZ2-CB 4.04Å; W792-Y829 AromaticContact CD1-CD2 3.95Å; W792-Y829 AromaticContact CD2-CD2 3.59Å; W792-Y829 HydrophobicContact CD2-CD2 3.59Å; W792-Y829 HydrophobicContact CD2-CE2 4.12Å; W792-Y829 AromaticContact CD2-CG 3.94Å; W792-Y829 HydrophobicContact CD2-CG 3.94Å; W792-Y829 AromaticContact CE2-CD2 3.7Å; W792-Y829 AromaticContact CE2-CG 3.75Å; W792-Y829 HydrophobicContact CE3-CD1 4.42Å; W792-Y829 HydrophobicContact CE3-CD2 4.05Å; W792-Y829 HydrophobicContact CE3-CE2 4.34Å; W792-Y829 HydrophobicContact CE3-CG 4.12Å; W792-Y829 AromaticContact CG-CD2 3.83Å; W792-Y829 HydrophobicContact CG-CD2 3.83Å; W792-Y829 HydrophobicContact CG-CE2 4.18Å; W792-Y829 HydrophobicContact CH2-CD1 4.33Å; W792-Y829 HydrophobicContact CH2-CG 4.05Å; W792-Y829 HydrophobicContact CZ2-CD2 4.27Å; W792-Y829 AromaticContact CZ2-CG 3.84Å; W792-Y829 HydrophobicContact CZ2-CG 3.84Å; W792-Y829 HydrophobicContact CZ3-CD1 4.25Å; W792-Y829 HydrophobicContact CZ3-CG 4.17Å; W792-Y829 AromaticContact NE1-CD2 3.87Å
793	S	88.3	Confident	83.6	Confident	41 Å²	41	77.8 Å²	77.8	29%	0.287	38%	0.383	S	S	.	.			trans	-70.5	158.2	171.7	82.6	0	0	0	0	110.9	E795 E796 K797	S793-E795 PolarHBondContact O-N 3.48Å; S793-E796 PolarHBondContact N-OE2 3.45Å; S793-E796 PolarHBondContact O-N 2.81Å; S793-E796 VanDerWaalsContact OG-CG 3.31Å; S793-E796 WeakPolarHBondContact OG-CG 3.48Å; S793-E796 PolarHBondContact OG-N 2.97Å; S793-K797 WeakPolarHBondContact O-CE 3.33Å; S793-K797 VanDerWaalsContact O-CG 3.29Å; S793-K797 WeakPolarHBondContact O-CG 3.39Å; S793-K797 PolarHBondContact O-N 3.09Å
794	E	86.7	Confident	84.1	Confident	135 Å²	135	73.3 Å²	73.3	63%	0.631	36%	0.359	S	S	*	.	H	α-helix	trans	-67.2	-30.3	178.6	-155.3	59.5	-146.5	0	0	112	K797 Q798	E794-K797 PolarHBondContact O-N 3.38Å; E794-K797 WeakPolarHBondContact OE2-CD 3.46Å; E794-K797 IonicContact OE2-NZ 2.67Å; E794-K797 PolarHBondContact OE2-NZ 2.75Å; E794-Q798 WeakPolarHBondContact O-CB 3.4Å; E794-Q798 PolarHBondContact O-N 3.5Å
795	E	89.8	Confident	84.5	Confident	144 Å²	144	70 Å²	70	67%	0.673	34%	0.344	S	S	*	.	H	α-helix	trans	-62.1	-50	169.5	177.7	178.5	-143.7	0	0	111.8	S793 K797 Q798 I799	S793-E795 PolarHBondContact O-N 3.48Å; E795-K797 VanDerWaalsContact C-N 3.27Å; E795-K797 PolarHBondContact O-N 3.37Å; E795-Q798 PolarHBondContact O-N 3.23Å; E795-Q798 VanDerWaalsContact O-N 3.09Å; E795-I799 HydrophobicContact CG-CD1 3.87Å; E795-I799 WeakPolarHBondContact O-CG1 3.38Å; E795-I799 PolarHBondContact O-N 2.74Å
796	E	91.8	Very high	85	Confident	14 Å²	14	67.7 Å²	67.7	7%	0.065	34%	0.343	C	S	.	.	H	α-helix	trans	-58.1	-39.6	176.1	-73.6	170.4	161.5	0	0	111.5	W792 S793 F800 L818 R820 K821	W792-E796 WeakPolarHBondContact CA-OE2 3.49Å; W792-E796 HydrophobicContact CE3-CB 3.91Å; W792-E796 HydrophobicContact CZ3-CB 4.39Å; S793-E796 PolarHBondContact N-OE2 3.45Å; S793-E796 PolarHBondContact O-N 2.81Å; S793-E796 VanDerWaalsContact OG-CG 3.31Å; S793-E796 WeakPolarHBondContact OG-CG 3.48Å; S793-E796 PolarHBondContact OG-N 2.97Å; E796-F800 VanDerWaalsContact O-CB 3.24Å; E796-F800 WeakPolarHBondContact O-CB 3.38Å; E796-F800 PolarHBondContact O-N 2.89Å; E796-L818 HydrophobicContact CB-CD2 4.07Å; E796-L818 HydrophobicContact CG-CD2 4.16Å; E796-R820 IonicContact OE1-CZ 2.7Å; E796-R820 IonicContact OE1-NE 3.68Å; E796-R820 PolarHBondContact OE1-NE 3.45Å; E796-R820 IonicContact OE1-NH2 3.85Å; E796-R820 PolarHBondContact OE1-NH2 3.46Å; E796-R820 IonicContact OE2-NH2 3.19Å; E796-K821 WeakPolarHBondContact OE1-CE 3.29Å; E796-K821 IonicContact OE1-NZ 2.8Å; E796-K821 WeakPolarHBondContact OE2-CE 3.4Å; E796-K821 IonicContact OE2-NZ 3.76Å
797	K	90.1	Very high	85.6	Confident	43 Å²	43	65.8 Å²	65.8	19%	0.187	33%	0.334	C	S	.	.	H	α-helix	trans	-66.7	-40.3	175.6	-63.9	169	-143.1	155.5	0	112	W792 S793 E794 E795 F800 K801 Y829	W792-K797 HydrophobicContact CB-CD 4.47Å; W792-K797 HydrophobicContact CB-CG 4.05Å; W792-K797 WeakPolarHBondContact O-CE 3.48Å; W792-K797 PolarHBondContact O-NZ 2.86Å; W792-K797 VanDerWaalsContact O-NZ 3.13Å; S793-K797 WeakPolarHBondContact O-CE 3.33Å; S793-K797 VanDerWaalsContact O-CG 3.29Å; S793-K797 WeakPolarHBondContact O-CG 3.39Å; S793-K797 PolarHBondContact O-N 3.09Å; E794-K797 PolarHBondContact O-N 3.38Å; E794-K797 WeakPolarHBondContact OE2-CD 3.46Å; E794-K797 IonicContact OE2-NZ 2.67Å; E794-K797 PolarHBondContact OE2-NZ 2.75Å; E795-K797 VanDerWaalsContact C-N 3.27Å; E795-K797 PolarHBondContact O-N 3.37Å; K797-F800 PolarHBondContact O-N 3.33Å; K797-K801 WeakPolarHBondContact O-CB 3.38Å; K797-K801 PolarHBondContact O-N 3.35Å; K797-Y829 HydrophobicContact CG-CE2 3.98Å; K797-Y829 WeakPolarHBondContact CG-OH 3.46Å
798	Q	89.8	Confident	86.2	Confident	111 Å²	111	64.3 Å²	64.3	52%	0.519	33%	0.333	S	S	.	.	H	α-helix	trans	-70.8	-42.9	179.8	-179.3	63.5	0.4	0	0	111.5	E794 E795 K801 E802	E794-Q798 WeakPolarHBondContact O-CB 3.4Å; E794-Q798 PolarHBondContact O-N 3.5Å; E795-Q798 PolarHBondContact O-N 3.23Å; E795-Q798 VanDerWaalsContact O-N 3.09Å; Q798-K801 PolarHBondContact O-N 2.92Å; Q798-E802 PolarHBondContact O-N 2.88Å
799	I	90.8	Very high	86.9	Confident	48 Å²	48	66.7 Å²	66.7	25%	0.246	34%	0.339	C	S	.	.	H	α-helix	trans	-58.6	-48.9	171.2	-66.9	167.1	0	0	0	109.8	E795 K801 E802 R803 L818	E795-I799 HydrophobicContact CG-CD1 3.87Å; E795-I799 WeakPolarHBondContact O-CG1 3.38Å; E795-I799 PolarHBondContact O-N 2.74Å; I799-K801 VanDerWaalsContact C-N 3.29Å; I799-K801 PolarHBondContact O-N 3.3Å; I799-E802 PolarHBondContact O-N 3.5Å; I799-R803 HydrophobicContact CG2-CG 4.18Å; I799-R803 WeakPolarHBondContact O-CB 3.41Å; I799-R803 VanDerWaalsContact O-CG 3.28Å; I799-R803 WeakPolarHBondContact O-CG 3.48Å; I799-R803 PolarHBondContact O-N 2.85Å; I799-L818 HydrophobicContact CB-CD2 4.01Å; I799-L818 HydrophobicContact CG2-CD2 3.78Å; I799-L818 HydrophobicContact CG2-CG 4.23Å
800	F	92.5	Very high	87.6	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-54.6	-45.9	175.7	-176.2	-78.9	0	0	0	111.8	W792 E796 K797 Y804 F811 I814 L818 C826 Y829 Y839	W792-F800 HydrophobicContact CH2-CD2 4.35Å; W792-F800 HydrophobicContact CZ3-CB 4.45Å; W792-F800 HydrophobicContact CZ3-CD2 4.26Å; E796-F800 VanDerWaalsContact O-CB 3.24Å; E796-F800 WeakPolarHBondContact O-CB 3.38Å; E796-F800 PolarHBondContact O-N 2.89Å; K797-F800 PolarHBondContact O-N 3.33Å; F800-Y804 HydrophobicContact CE1-CD2 4.2Å; F800-Y804 HydrophobicContact CE1-CG 4.44Å; F800-Y804 HydrophobicContact CZ-CD2 4.36Å; F800-Y804 WeakPolarHBondContact O-CB 3.39Å; F800-Y804 PolarHBondContact O-N 3.2Å; F800-F811 HydrophobicContact CZ-CD1 4.44Å; F800-F811 HydrophobicContact CZ-CE1 4.32Å; F800-I814 HydrophobicContact CD2-CG2 3.46Å; F800-I814 VanDerWaalsContact CD2-CG2 3.46Å; F800-I814 HydrophobicContact CE2-CG2 3.68Å; F800-I814 HydrophobicContact CG-CG2 4.13Å; F800-I814 HydrophobicContact CZ-CD1 4.49Å; F800-I814 HydrophobicContact CZ-CG2 4.49Å; F800-L818 HydrophobicContact CB-CD1 4.32Å; F800-L818 HydrophobicContact CD2-CD1 4.16Å; F800-C826 HydrophobicContact CE2-CB 3.98Å; F800-C826 WeakPolarHBondContact CE2-O 3.33Å; F800-Y829 HydrophobicContact CB-CE1 4.32Å; F800-Y829 AromaticContact CD1-CD1 3.83Å; F800-Y829 HydrophobicContact CD1-CD1 3.83Å; F800-Y829 AromaticContact CD1-CE1 3.57Å; F800-Y829 HydrophobicContact CD1-CE1 3.57Å; F800-Y829 AromaticContact CD2-CD1 3.92Å; F800-Y829 HydrophobicContact CD2-CD1 3.92Å; F800-Y829 HydrophobicContact CD2-CE1 4.35Å; F800-Y829 AromaticContact CE1-CD1 3.98Å; F800-Y829 HydrophobicContact CE1-CD1 3.98Å; F800-Y829 HydrophobicContact CE1-CE1 4.03Å; F800-Y829 HydrophobicContact CE2-CD1 4.05Å; F800-Y829 AromaticContact CG-CD1 3.85Å; F800-Y829 HydrophobicContact CG-CD1 3.85Å; F800-Y829 AromaticContact CG-CE1 3.8Å; F800-Y829 HydrophobicContact CG-CE1 3.8Å; F800-Y829 HydrophobicContact CZ-CD1 4.12Å; F800-Y839 HydrophobicContact CE1-CE2 4.18Å; F800-Y839 AromaticContact CE1-CZ 3.94Å
801	K	91.1	Very high	88.6	Confident	59 Å²	59	63.5 Å²	63.5	26%	0.257	31%	0.314	S	S	.	.	H	α-helix	trans	-67.3	-39.7	-177.8	-175.2	169.7	176.9	170.3	0	112.5	K797 Q798 I799 L805 E837 Y839 L842	K797-K801 WeakPolarHBondContact O-CB 3.38Å; K797-K801 PolarHBondContact O-N 3.35Å; Q798-K801 PolarHBondContact O-N 2.92Å; I799-K801 VanDerWaalsContact C-N 3.29Å; I799-K801 PolarHBondContact O-N 3.3Å; K801-L805 VanDerWaalsContact O-CG 3.32Å; K801-L805 WeakPolarHBondContact O-CG 3.26Å; K801-L805 PolarHBondContact O-N 3.43Å; K801-E837 WeakPolarHBondContact CE-OE2 3.4Å; K801-E837 IonicContact NZ-OE2 2.6Å; K801-E837 PolarHBondContact NZ-OE2 2.88Å; K801-Y839 HydrophobicContact CG-CE1 4.45Å; K801-L842 HydrophobicContact CD-CD2 4.42Å; K801-L842 HydrophobicContact CG-CD2 3.86Å
802	E	90.7	Very high	89.2	Confident	104 Å²	104	60.5 Å²	60.5	49%	0.486	30%	0.304	S	S	.	.	H	α-helix	trans	-66.2	-53.1	173.3	-170.8	-165.9	135.8	0	0	111.3	Q798 I799 Y804 L805 A806	Q798-E802 PolarHBondContact O-N 2.88Å; I799-E802 PolarHBondContact O-N 3.5Å; E802-Y804 VanDerWaalsContact C-N 3.32Å; E802-Y804 PolarHBondContact O-N 3.16Å; E802-L805 WeakPolarHBondContact O-CA 3.2Å; E802-L805 WeakPolarHBondContact O-CB 3.42Å; E802-L805 PolarHBondContact O-N 3.5Å; E802-A806 PolarHBondContact O-N 3.29Å; E802-A806 VanDerWaalsContact O-N 3.13Å
803	R	90.4	Very high	89.4	Confident	73 Å²	73	60.8 Å²	60.8	28%	0.275	31%	0.309	S	S	.	.	H	α-helix	trans	-63.9	-36.6	-178.1	-59.8	-60	174.3	-179.3	-8.6	111.7	I799 L805 A806 T807 I814 Y817	I799-R803 HydrophobicContact CG2-CG 4.18Å; I799-R803 WeakPolarHBondContact O-CB 3.41Å; I799-R803 VanDerWaalsContact O-CG 3.28Å; I799-R803 WeakPolarHBondContact O-CG 3.48Å; I799-R803 PolarHBondContact O-N 2.85Å; R803-L805 VanDerWaalsContact C-N 3.29Å; R803-L805 PolarHBondContact O-N 3.03Å; R803-A806 PolarHBondContact O-N 3.23Å; R803-A806 VanDerWaalsContact O-N 3.13Å; R803-T807 PolarHBondContact O-N 2.76Å; R803-T807 PolarHBondContact O-OG1 2.65Å; R803-I814 HydrophobicContact CB-CB 4.44Å; R803-I814 HydrophobicContact CB-CG1 3.97Å; R803-I814 HydrophobicContact CB-CG2 4.29Å; R803-Y817 HydrophobicContact CB-CD2 4.43Å; R803-Y817 VanDerWaalsContact CD-CD2 3.48Å; R803-Y817 HydrophobicContact CG-CD2 3.64Å; R803-Y817 HydrophobicContact CG-CE2 4.2Å; R803-Y817 HydrophobicContact CG-CG 4.04Å; R803-Y817 VanDerWaalsContact CZ-CE1 3.41Å
804	Y	91.3	Very high	89.5	Confident	8 Å²	8	58.8 Å²	58.8	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-30.4	172.1	-173.9	-80.7	0	0	0	113.3	F800 E802 P808 K809 F811 I814 Y830 Y839	F800-Y804 HydrophobicContact CE1-CD2 4.2Å; F800-Y804 HydrophobicContact CE1-CG 4.44Å; F800-Y804 HydrophobicContact CZ-CD2 4.36Å; F800-Y804 WeakPolarHBondContact O-CB 3.39Å; F800-Y804 PolarHBondContact O-N 3.2Å; E802-Y804 VanDerWaalsContact C-N 3.32Å; E802-Y804 PolarHBondContact O-N 3.16Å; Y804-P808 HydrophobicContact CE1-CB 4.36Å; Y804-P808 VanDerWaalsContact O-CA 3.24Å; Y804-P808 WeakPolarHBondContact O-CA 3.33Å; Y804-K809 HydrophobicContact CE2-CG 4.41Å; Y804-F811 HydrophobicContact CE2-CE1 4.48Å; Y804-I814 HydrophobicContact CD2-CD1 4.01Å; Y804-I814 HydrophobicContact CG-CD1 4.5Å; Y804-Y830 HydrophobicContact CD2-CD2 4.34Å; Y804-Y830 AromaticContact CE2-CD2 3.73Å; Y804-Y830 HydrophobicContact CE2-CD2 3.73Å; Y804-Y830 AromaticContact CE2-CE2 3.6Å; Y804-Y830 HydrophobicContact CE2-CE2 3.6Å; Y804-Y830 AromaticContact CZ-CE2 3.77Å; Y804-Y839 HydrophobicContact CD1-CD1 4.32Å; Y804-Y839 HydrophobicContact CD1-CG 4.24Å; Y804-Y839 HydrophobicContact CE1-CG 4.16Å
805	L	89.2	Confident	89.8	Confident	33 Å²	33	53 Å²	53	17%	0.173	27%	0.271	C	S	.	.	H	α-helix	trans	-76.5	-26.2	174.3	-70.3	173.7	0	0	0	113	K801 E802 R803 L842 L843 H846	K801-L805 VanDerWaalsContact O-CG 3.32Å; K801-L805 WeakPolarHBondContact O-CG 3.26Å; K801-L805 PolarHBondContact O-N 3.43Å; E802-L805 WeakPolarHBondContact O-CA 3.2Å; E802-L805 WeakPolarHBondContact O-CB 3.42Å; E802-L805 PolarHBondContact O-N 3.5Å; R803-L805 VanDerWaalsContact C-N 3.29Å; R803-L805 PolarHBondContact O-N 3.03Å; L805-L842 HydrophobicContact CD1-CD2 3.86Å; L805-L842 HydrophobicContact CD1-CG 4Å; L805-L842 HydrophobicContact CD2-CB 4.19Å; L805-L842 HydrophobicContact CD2-CD2 4.14Å; L805-L842 HydrophobicContact CD2-CG 3.91Å; L805-L842 HydrophobicContact CG-CD2 4.24Å; L805-L842 HydrophobicContact CG-CG 4.44Å; L805-L843 HydrophobicContact CD2-CB 4.23Å; L805-L843 HydrophobicContact CD2-CD1 4.2Å; L805-H846 HydrophobicContact CD2-CB 3.98Å; L805-H846 PolarHBondContact O-CE1 2.74Å; L805-H846 PolarHBondContact O-ND1 3.41Å
806	A	87.1	Confident	89.8	Confident	56 Å²	56	50.4 Å²	50.4	46%	0.463	27%	0.268	S	S	.	.	H	α-helix	trans	-78.6	-51.3	172.6	0	0	0	0	0	112.3	E802 R803 P808	E802-A806 PolarHBondContact O-N 3.29Å; E802-A806 VanDerWaalsContact O-N 3.13Å; R803-A806 PolarHBondContact O-N 3.23Å; R803-A806 VanDerWaalsContact O-N 3.13Å; A806-P808 WeakPolarHBondContact O-CD 3.42Å
807	T	85.1	Confident	89.7	Confident	43 Å²	43	54.7 Å²	54.7	26%	0.264	28%	0.284	S	S	.	.	S	Bend	trans	-126.6	72.5	-173.1	54.1	0	0	0	0	111.3	R803 K809 N810	R803-T807 PolarHBondContact O-N 2.76Å; R803-T807 PolarHBondContact O-OG1 2.65Å; T807-K809 PolarHBondContact O-N 2.86Å; T807-N810 WeakPolarHBondContact O-CB 3.49Å; T807-N810 PolarHBondContact O-N 3.48Å
808	P	86.9	Confident	89.7	Confident	64 Å²	64	53 Å²	53	42%	0.416	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	124.4	-169.9	24.3	-35.1	0	0	0	113	Y804 A806 N810 L843	Y804-P808 HydrophobicContact CE1-CB 4.36Å; Y804-P808 VanDerWaalsContact O-CA 3.24Å; Y804-P808 WeakPolarHBondContact O-CA 3.33Å; A806-P808 WeakPolarHBondContact O-CD 3.42Å; P808-N810 PolarHBondContact O-N 2.97Å; P808-L843 HydrophobicContact CB-CD1 4.29Å; P808-L843 HydrophobicContact CB-CD2 3.8Å; P808-L843 HydrophobicContact CG-CD1 4.33Å; P808-L843 HydrophobicContact CG-CD2 4.17Å
809	K	84.6	Confident	89.4	Confident	137 Å²	137	57.3 Å²	57.3	60%	0.596	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	6.6	-173	-49.8	179.8	-179.7	178.9	0	116.5	Y804 T807 F811	Y804-K809 HydrophobicContact CE2-CG 4.41Å; T807-K809 PolarHBondContact O-N 2.86Å; K809-F811 HydrophobicContact CB-CE2 4Å; K809-F811 HydrophobicContact CB-CZ 4.18Å; K809-F811 WeakPolarHBondContact O-CD2 3.44Å; K809-F811 WeakPolarHBondContact O-CE2 3.43Å; K809-F811 PolarHBondContact O-N 3.39Å
810	N	88.8	Confident	89.1	Confident	72 Å²	72	63.6 Å²	63.6	39%	0.385	32%	0.318	S	S	.	.			trans	-80.8	72.6	171.2	-169.4	-33	0	0	0	108.9	T807 P808 T812 S813 I814	T807-N810 WeakPolarHBondContact O-CB 3.49Å; T807-N810 PolarHBondContact O-N 3.48Å; P808-N810 PolarHBondContact O-N 2.97Å; N810-T812 PolarHBondContact O-N 3.35Å; N810-T812 WeakPolarHBondContact OD1-CB 3.35Å; N810-S813 PolarHBondContact O-N 3.22Å; N810-S813 VanDerWaalsContact OD1-CB 3.26Å; N810-S813 WeakPolarHBondContact OD1-CB 3.44Å; N810-S813 PolarHBondContact OD1-N 3.24Å; N810-I814 WeakPolarHBondContact O-CG1 3.43Å; N810-I814 PolarHBondContact O-N 2.92Å
811	F	91.3	Very high	88.8	Confident	28 Å²	28	65.2 Å²	65.2	12%	0.123	33%	0.325	C	S	.	.	H	α-helix	trans	-63.4	-30.4	-174.5	-55.7	-71.9	0	0	0	112.4	F800 Y804 K809 I814 A815 V823 I827 Y830	F800-F811 HydrophobicContact CZ-CD1 4.44Å; F800-F811 HydrophobicContact CZ-CE1 4.32Å; Y804-F811 HydrophobicContact CE2-CE1 4.48Å; K809-F811 HydrophobicContact CB-CE2 4Å; K809-F811 HydrophobicContact CB-CZ 4.18Å; K809-F811 WeakPolarHBondContact O-CD2 3.44Å; K809-F811 WeakPolarHBondContact O-CE2 3.43Å; K809-F811 PolarHBondContact O-N 3.39Å; F811-I814 HydrophobicContact CD1-CD1 4.23Å; F811-I814 PolarHBondContact O-N 3.16Å; F811-A815 WeakPolarHBondContact O-CB 3.44Å; F811-A815 PolarHBondContact O-N 3.17Å; F811-V823 HydrophobicContact CB-CG1 3.61Å; F811-I827 HydrophobicContact CB-CD1 4.48Å; F811-I827 HydrophobicContact CB-CG1 3.9Å; F811-I827 HydrophobicContact CD1-CG1 4.2Å; F811-I827 HydrophobicContact CD2-CD1 4.31Å; F811-I827 HydrophobicContact CD2-CG1 3.62Å; F811-I827 HydrophobicContact CE2-CG1 4.16Å; F811-I827 HydrophobicContact CG-CG1 3.64Å; F811-Y830 AromaticContact CE1-CD1 3.91Å; F811-Y830 HydrophobicContact CE1-CD1 3.91Å; F811-Y830 HydrophobicContact CE1-CD2 4.3Å; F811-Y830 AromaticContact CE1-CG 3.72Å; F811-Y830 HydrophobicContact CE1-CG 3.72Å; F811-Y830 AromaticContact CZ-CD1 3.52Å; F811-Y830 HydrophobicContact CZ-CD1 3.52Å; F811-Y830 HydrophobicContact CZ-CD2 4.43Å; F811-Y830 AromaticContact CZ-CE1 3.96Å; F811-Y830 HydrophobicContact CZ-CE1 3.96Å; F811-Y830 AromaticContact CZ-CG 3.81Å; F811-Y830 HydrophobicContact CZ-CG 3.81Å
812	T	91	Very high	88.8	Confident	35 Å²	35	65.1 Å²	65.1	22%	0.215	33%	0.332	C	S	.	.	H	α-helix	trans	-45.5	-60	164.4	-51.9	0	0	0	0	111.5	S332 L333 N810 I814 S816	S332-T812 PolarHBondContact O-OG1 3.18Å; S332-T812 WeakPolarHBondContact OG-CG2 3.46Å; L333-T812 HydrophobicContact CB-CG2 3.94Å; L333-T812 WeakPolarHBondContact CB-OG1 3.41Å; L333-T812 HydrophobicContact CD1-CG2 3.67Å; L333-T812 HydrophobicContact CG-CG2 4.34Å; N810-T812 PolarHBondContact O-N 3.35Å; N810-T812 WeakPolarHBondContact OD1-CB 3.35Å; T812-I814 PolarHBondContact O-N 3.32Å; T812-S816 PolarHBondContact O-N 2.91Å
813	S	90.4	Very high	88.8	Confident	28 Å²	28	60.6 Å²	60.6	20%	0.196	31%	0.311	C	S	.	.	H	α-helix	trans	-72.2	-24.7	-179.9	176.3	0	0	0	0	113.4	N810 S816 Y817	N810-S813 PolarHBondContact O-N 3.22Å; N810-S813 VanDerWaalsContact OD1-CB 3.26Å; N810-S813 WeakPolarHBondContact OD1-CB 3.44Å; N810-S813 PolarHBondContact OD1-N 3.24Å; S813-S816 PolarHBondContact O-OG 2.67Å; S813-Y817 WeakPolarHBondContact O-CD2 3.35Å; S813-Y817 WeakPolarHBondContact O-CE2 3.43Å
814	I	91.2	Very high	88.8	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-74	-41.5	177.2	-64.7	162.8	0	0	0	110.3	F800 R803 Y804 N810 F811 T812 S816 Y817 L818	F800-I814 HydrophobicContact CD2-CG2 3.46Å; F800-I814 VanDerWaalsContact CD2-CG2 3.46Å; F800-I814 HydrophobicContact CE2-CG2 3.68Å; F800-I814 HydrophobicContact CG-CG2 4.13Å; F800-I814 HydrophobicContact CZ-CD1 4.49Å; F800-I814 HydrophobicContact CZ-CG2 4.49Å; R803-I814 HydrophobicContact CB-CB 4.44Å; R803-I814 HydrophobicContact CB-CG1 3.97Å; R803-I814 HydrophobicContact CB-CG2 4.29Å; Y804-I814 HydrophobicContact CD2-CD1 4.01Å; Y804-I814 HydrophobicContact CG-CD1 4.5Å; N810-I814 WeakPolarHBondContact O-CG1 3.43Å; N810-I814 PolarHBondContact O-N 2.92Å; F811-I814 HydrophobicContact CD1-CD1 4.23Å; F811-I814 PolarHBondContact O-N 3.16Å; T812-I814 PolarHBondContact O-N 3.32Å; I814-S816 VanDerWaalsContact C-N 3.31Å; I814-S816 PolarHBondContact O-N 3.37Å; I814-Y817 PolarHBondContact O-N 2.95Å; I814-L818 HydrophobicContact CG2-CD1 4.17Å
815	A	91.6	Very high	88.7	Confident	14 Å²	14	62.8 Å²	62.8	12%	0.116	34%	0.337	C	S	.	.	H	α-helix	trans	-67.7	-27.8	178.8	0	0	0	0	0	113.3	F811 Y817 L818 V823	F811-A815 WeakPolarHBondContact O-CB 3.44Å; F811-A815 PolarHBondContact O-N 3.17Å; A815-Y817 PolarHBondContact O-N 2.86Å; A815-Y817 VanDerWaalsContact O-N 3.07Å; A815-L818 CarbonylContact O-C 3.6Å; A815-L818 PolarHBondContact O-N 3.28Å; A815-V823 HydrophobicContact CB-CB 4.34Å; A815-V823 HydrophobicContact CB-CG2 3.43Å; A815-V823 VanDerWaalsContact CB-CG2 3.43Å
816	S	91	Very high	88.8	Confident	88 Å²	88	61.2 Å²	61.2	62%	0.615	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-5.2	175.7	67.9	0	0	0	0	114.3	T812 S813 I814	T812-S816 PolarHBondContact O-N 2.91Å; S813-S816 PolarHBondContact O-OG 2.67Å; I814-S816 VanDerWaalsContact C-N 3.31Å; I814-S816 PolarHBondContact O-N 3.37Å
817	Y	89.1	Confident	88.9	Confident	105 Å²	105	60.7 Å²	60.7	41%	0.412	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	10	169	-57.1	-82.1	0	0	0	112.7	R803 S813 I814 A815	R803-Y817 HydrophobicContact CB-CD2 4.43Å; R803-Y817 VanDerWaalsContact CD-CD2 3.48Å; R803-Y817 HydrophobicContact CG-CD2 3.64Å; R803-Y817 HydrophobicContact CG-CE2 4.2Å; R803-Y817 HydrophobicContact CG-CG 4.04Å; R803-Y817 VanDerWaalsContact CZ-CE1 3.41Å; S813-Y817 WeakPolarHBondContact O-CD2 3.35Å; S813-Y817 WeakPolarHBondContact O-CE2 3.43Å; I814-Y817 PolarHBondContact O-N 2.95Å; A815-Y817 PolarHBondContact O-N 2.86Å; A815-Y817 VanDerWaalsContact O-N 3.07Å
818	L	89.5	Confident	89.1	Confident	7 Å²	7	62.5 Å²	62.5	4%	0.037	32%	0.323	C	S	.	.			trans	-134.8	73.7	-174.7	-65.8	171.8	0	0	0	109.4	W792 E796 I799 F800 I814 A815 R820 K821	W792-L818 HydrophobicContact CH2-CD1 4.25Å; W792-L818 HydrophobicContact CZ3-CD1 3.96Å; E796-L818 HydrophobicContact CB-CD2 4.07Å; E796-L818 HydrophobicContact CG-CD2 4.16Å; I799-L818 HydrophobicContact CB-CD2 4.01Å; I799-L818 HydrophobicContact CG2-CD2 3.78Å; I799-L818 HydrophobicContact CG2-CG 4.23Å; F800-L818 HydrophobicContact CB-CD1 4.32Å; F800-L818 HydrophobicContact CD2-CD1 4.16Å; I814-L818 HydrophobicContact CG2-CD1 4.17Å; A815-L818 CarbonylContact O-C 3.6Å; A815-L818 PolarHBondContact O-N 3.28Å; L818-R820 PolarHBondContact O-N 3.08Å; L818-K821 HydrophobicContact CB-CB 3.98Å; L818-K821 HydrophobicContact CB-CG 4.16Å; L818-K821 PolarHBondContact O-N 3.23Å
819	E	83.1	Confident	89.3	Confident	201 Å²	201	59.9 Å²	59.9	94%	0.939	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.2	-30.9	-171.2	-59.7	178.1	168.4	0	0	115.1
820	R	85	Confident	89.6	Confident	181 Å²	181	54.6 Å²	54.6	68%	0.683	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	6.4	-177	-50.1	-173.4	-53.8	167.8	3.7	114.7	E796 L818	E796-R820 IonicContact OE1-CZ 2.7Å; E796-R820 IonicContact OE1-NE 3.68Å; E796-R820 PolarHBondContact OE1-NE 3.45Å; E796-R820 IonicContact OE1-NH2 3.85Å; E796-R820 PolarHBondContact OE1-NH2 3.46Å; E796-R820 IonicContact OE2-NH2 3.19Å; L818-R820 PolarHBondContact O-N 3.08Å
821	K	87	Confident	89.7	Confident	33 Å²	33	58 Å²	58	14%	0.143	29%	0.29	C	S	.	.			trans	-125	121.9	-176.2	-56.1	-60.9	177.4	-161.6	0	110.5	K791 W792 E796 L818 D825	K791-K821 PolarHBondContact O-NZ 3.46Å; W792-K821 HydrophobicContact CD2-CD 4.48Å; W792-K821 HydrophobicContact CH2-CB 4.12Å; W792-K821 HydrophobicContact CH2-CD 4.1Å; W792-K821 HydrophobicContact CH2-CG 3.78Å; W792-K821 HydrophobicContact CZ2-CB 4.46Å; W792-K821 HydrophobicContact CZ2-CD 3.88Å; W792-K821 HydrophobicContact CZ2-CG 4.09Å; W792-K821 HydrophobicContact CZ3-CD 4.5Å; W792-K821 HydrophobicContact CZ3-CG 4.08Å; E796-K821 WeakPolarHBondContact OE1-CE 3.29Å; E796-K821 IonicContact OE1-NZ 2.8Å; E796-K821 WeakPolarHBondContact OE2-CE 3.4Å; E796-K821 IonicContact OE2-NZ 3.76Å; L818-K821 HydrophobicContact CB-CB 3.98Å; L818-K821 HydrophobicContact CB-CG 4.16Å; L818-K821 PolarHBondContact O-N 3.23Å; K821-D825 HydrophobicContact CB-CB 4.27Å; K821-D825 HydrophobicContact CD-CB 4.47Å
822	S	89.7	Confident	89.5	Confident	58 Å²	58	59.3 Å²	59.3	41%	0.406	30%	0.298	S	S	.	.			trans	-68.1	164.1	171	76.4	0	0	0	0	110.8	A824 D825 C826	S822-A824 PolarHBondContact O-N 3.23Å; S822-A824 PolarHBondContact OG-N 3.11Å; S822-D825 WeakPolarHBondContact CA-OD2 3.4Å; S822-D825 VanDerWaalsContact CB-OD2 3.24Å; S822-D825 WeakPolarHBondContact CB-OD2 3.46Å; S822-D825 PolarHBondContact N-OD2 2.91Å; S822-D825 WeakPolarHBondContact O-CB 3.47Å; S822-D825 PolarHBondContact O-N 2.87Å; S822-D825 VanDerWaalsContact O-N 3.12Å; S822-D825 VanDerWaalsContact OG-CG 3.3Å; S822-D825 PolarHBondContact OG-N 3.34Å; S822-D825 VanDerWaalsContact OG-N 3.14Å; S822-D825 PolarHBondContact OG-OD2 2.93Å; S822-C826 PolarHBondContact O-N 3.01Å; S822-C826 PolarHBondContact O-SG 3.27Å
823	V	91	Very high	89.4	Confident	9 Å²	9	57.8 Å²	57.8	6%	0.055	29%	0.289	C	S	.	.	H	α-helix	trans	-62.9	-28.6	172.3	-178.8	0	0	0	0	111.5	L333 P334 F811 A815 C826 I827	L333-V823 HydrophobicContact CB-CG1 4.5Å; L333-V823 HydrophobicContact CB-CG2 4.06Å; L333-V823 HydrophobicContact CD1-CG2 3.91Å; L333-V823 HydrophobicContact CD2-CB 4.43Å; L333-V823 HydrophobicContact CD2-CG2 3.88Å; L333-V823 HydrophobicContact CG-CG2 4.14Å; P334-V823 VanDerWaalsContact CD-CB 3.47Å; P334-V823 VanDerWaalsContact CD-CG1 3.42Å; P334-V823 HydrophobicContact CG-CB 4.31Å; F811-V823 HydrophobicContact CB-CG1 3.61Å; A815-V823 HydrophobicContact CB-CB 4.34Å; A815-V823 HydrophobicContact CB-CG2 3.43Å; A815-V823 VanDerWaalsContact CB-CG2 3.43Å; V823-C826 PolarHBondContact O-N 3.35Å; V823-I827 HydrophobicContact CG1-CD1 3.98Å; V823-I827 HydrophobicContact CG1-CG1 4.38Å; V823-I827 WeakPolarHBondContact O-CB 3.39Å; V823-I827 VanDerWaalsContact O-CG1 3.26Å; V823-I827 WeakPolarHBondContact O-CG1 3.49Å; V823-I827 PolarHBondContact O-N 2.99Å
824	A	90.3	Very high	89.3	Confident	59 Å²	59	59.6 Å²	59.6	49%	0.488	29%	0.293	S	S	.	.	H	α-helix	trans	-64.9	-42	173.3	0	0	0	0	0	111.4	S822 I827 H828	S822-A824 PolarHBondContact O-N 3.23Å; S822-A824 PolarHBondContact OG-N 3.11Å; A824-I827 PolarHBondContact O-N 3.1Å; A824-H828 VanDerWaalsContact O-CB 3.32Å; A824-H828 WeakPolarHBondContact O-CB 3.39Å; A824-H828 PolarHBondContact O-N 3.01Å
825	D	89.8	Confident	89	Confident	67 Å²	67	68.7 Å²	68.7	36%	0.358	33%	0.333	S	S	.	.	H	α-helix	trans	-62.5	-43.6	173.2	-57.2	-63.6	0	0	0	111.3	W792 K821 S822 I827 H828 Y829	W792-D825 HydrophobicContact CZ2-CB 4.04Å; K821-D825 HydrophobicContact CB-CB 4.27Å; K821-D825 HydrophobicContact CD-CB 4.47Å; S822-D825 WeakPolarHBondContact CA-OD2 3.4Å; S822-D825 VanDerWaalsContact CB-OD2 3.24Å; S822-D825 WeakPolarHBondContact CB-OD2 3.46Å; S822-D825 PolarHBondContact N-OD2 2.91Å; S822-D825 WeakPolarHBondContact O-CB 3.47Å; S822-D825 PolarHBondContact O-N 2.87Å; S822-D825 VanDerWaalsContact O-N 3.12Å; S822-D825 VanDerWaalsContact OG-CG 3.3Å; S822-D825 PolarHBondContact OG-N 3.34Å; S822-D825 VanDerWaalsContact OG-N 3.14Å; S822-D825 PolarHBondContact OG-OD2 2.93Å; D825-I827 VanDerWaalsContact C-N 3.34Å; D825-I827 PolarHBondContact O-N 3.32Å; D825-H828 PolarHBondContact O-N 3.1Å; D825-Y829 VanDerWaalsContact O-CB 3.26Å; D825-Y829 WeakPolarHBondContact O-CB 3.32Å; D825-Y829 PolarHBondContact O-N 3.15Å
826	C	90.4	Very high	88.7	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-61.6	-39.2	176.6	-71.9	0	0	0	0	112.8	F800 S822 V823 Y830	F800-C826 HydrophobicContact CE2-CB 3.98Å; F800-C826 WeakPolarHBondContact CE2-O 3.33Å; S822-C826 PolarHBondContact O-N 3.01Å; S822-C826 PolarHBondContact O-SG 3.27Å; V823-C826 PolarHBondContact O-N 3.35Å; C826-Y830 WeakPolarHBondContact O-CB 3.33Å; C826-Y830 PolarHBondContact O-N 3.35Å; C826-Y830 VanDerWaalsContact O-N 3.11Å
827	I	91	Very high	88.4	Confident	46 Å²	46	75.3 Å²	75.3	24%	0.236	35%	0.349	C	S	.	.	H	α-helix	trans	-67.1	-48.7	173.4	-70.9	164.1	0	0	0	110	P334 F811 V823 A824 D825 Y830 Y831	P334-I827 WeakPolarHBondContact O-CD1 3.38Å; F811-I827 HydrophobicContact CB-CD1 4.48Å; F811-I827 HydrophobicContact CB-CG1 3.9Å; F811-I827 HydrophobicContact CD1-CG1 4.2Å; F811-I827 HydrophobicContact CD2-CD1 4.31Å; F811-I827 HydrophobicContact CD2-CG1 3.62Å; F811-I827 HydrophobicContact CE2-CG1 4.16Å; F811-I827 HydrophobicContact CG-CG1 3.64Å; V823-I827 HydrophobicContact CG1-CD1 3.98Å; V823-I827 HydrophobicContact CG1-CG1 4.38Å; V823-I827 WeakPolarHBondContact O-CB 3.39Å; V823-I827 VanDerWaalsContact O-CG1 3.26Å; V823-I827 WeakPolarHBondContact O-CG1 3.49Å; V823-I827 PolarHBondContact O-N 2.99Å; A824-I827 PolarHBondContact O-N 3.1Å; D825-I827 VanDerWaalsContact C-N 3.34Å; D825-I827 PolarHBondContact O-N 3.32Å; I827-Y830 WeakPolarHBondContact O-CB 3.19Å; I827-Y830 PolarHBondContact O-N 2.94Å; I827-Y831 HydrophobicContact CG2-CD2 4.09Å; I827-Y831 HydrophobicContact CG2-CE2 4.2Å; I827-Y831 WeakPolarHBondContact O-CD2 3.34Å; I827-Y831 PolarHBondContact O-N 2.97Å
828	H	89.5	Confident	88.2	Confident	80 Å²	80	71.2 Å²	71.2	37%	0.37	34%	0.338	S	S	.	.	H	α-helix	trans	-60.5	-49.4	-179	-174.6	45.7	0	0	0	111.8	N786 A824 D825 Y830 Y831 L832	N786-H828 PolarHBondContact O-NE2 3.14Å; A824-H828 VanDerWaalsContact O-CB 3.32Å; A824-H828 WeakPolarHBondContact O-CB 3.39Å; A824-H828 PolarHBondContact O-N 3.01Å; D825-H828 PolarHBondContact O-N 3.1Å; H828-Y830 VanDerWaalsContact C-N 3.33Å; H828-Y830 PolarHBondContact O-N 3.19Å; H828-Y831 WeakPolarHBondContact O-CA 3.25Å; H828-Y831 PolarHBondContact O-N 2.81Å; H828-L832 WeakPolarHBondContact O-CG 3.49Å; H828-L832 PolarHBondContact O-N 3.46Å
829	Y	90.2	Very high	88.1	Confident	10 Å²	10	71 Å²	71	4%	0.039	34%	0.337	C	S	.	.	H	α-helix	trans	-54.5	-46.5	172.8	176.5	-97.7	0	0	0	111.6	L789 W792 K797 F800 D825 Y831 L832 S833 Y839	L789-Y829 HydrophobicContact CD2-CD2 3.88Å; L789-Y829 HydrophobicContact CD2-CE2 3.78Å; W792-Y829 AromaticContact CD1-CD2 3.95Å; W792-Y829 AromaticContact CD2-CD2 3.59Å; W792-Y829 HydrophobicContact CD2-CD2 3.59Å; W792-Y829 HydrophobicContact CD2-CE2 4.12Å; W792-Y829 AromaticContact CD2-CG 3.94Å; W792-Y829 HydrophobicContact CD2-CG 3.94Å; W792-Y829 AromaticContact CE2-CD2 3.7Å; W792-Y829 AromaticContact CE2-CG 3.75Å; W792-Y829 HydrophobicContact CE3-CD1 4.42Å; W792-Y829 HydrophobicContact CE3-CD2 4.05Å; W792-Y829 HydrophobicContact CE3-CE2 4.34Å; W792-Y829 HydrophobicContact CE3-CG 4.12Å; W792-Y829 AromaticContact CG-CD2 3.83Å; W792-Y829 HydrophobicContact CG-CD2 3.83Å; W792-Y829 HydrophobicContact CG-CE2 4.18Å; W792-Y829 HydrophobicContact CH2-CD1 4.33Å; W792-Y829 HydrophobicContact CH2-CG 4.05Å; W792-Y829 HydrophobicContact CZ2-CD2 4.27Å; W792-Y829 AromaticContact CZ2-CG 3.84Å; W792-Y829 HydrophobicContact CZ2-CG 3.84Å; W792-Y829 HydrophobicContact CZ3-CD1 4.25Å; W792-Y829 HydrophobicContact CZ3-CG 4.17Å; W792-Y829 AromaticContact NE1-CD2 3.87Å; K797-Y829 HydrophobicContact CG-CE2 3.98Å; K797-Y829 WeakPolarHBondContact CG-OH 3.46Å; F800-Y829 HydrophobicContact CB-CE1 4.32Å; F800-Y829 AromaticContact CD1-CD1 3.83Å; F800-Y829 HydrophobicContact CD1-CD1 3.83Å; F800-Y829 AromaticContact CD1-CE1 3.57Å; F800-Y829 HydrophobicContact CD1-CE1 3.57Å; F800-Y829 AromaticContact CD2-CD1 3.92Å; F800-Y829 HydrophobicContact CD2-CD1 3.92Å; F800-Y829 HydrophobicContact CD2-CE1 4.35Å; F800-Y829 AromaticContact CE1-CD1 3.98Å; F800-Y829 HydrophobicContact CE1-CD1 3.98Å; F800-Y829 HydrophobicContact CE1-CE1 4.03Å; F800-Y829 HydrophobicContact CE2-CD1 4.05Å; F800-Y829 AromaticContact CG-CD1 3.85Å; F800-Y829 HydrophobicContact CG-CD1 3.85Å; F800-Y829 AromaticContact CG-CE1 3.8Å; F800-Y829 HydrophobicContact CG-CE1 3.8Å; F800-Y829 HydrophobicContact CZ-CD1 4.12Å; D825-Y829 VanDerWaalsContact O-CB 3.26Å; D825-Y829 WeakPolarHBondContact O-CB 3.32Å; D825-Y829 PolarHBondContact O-N 3.15Å; Y829-Y831 VanDerWaalsContact C-N 3.34Å; Y829-Y831 PolarHBondContact O-N 2.97Å; Y829-L832 PolarHBondContact O-N 3.37Å; Y829-S833 WeakPolarHBondContact CE1-OG 3.47Å; Y829-S833 WeakPolarHBondContact O-CB 3.49Å; Y829-S833 PolarHBondContact O-N 3.06Å; Y829-S833 PolarHBondContact O-OG 3.32Å; Y829-Y839 VanDerWaalsContact CE1-OH 3.28Å; Y829-Y839 WeakPolarHBondContact CE1-OH 3.41Å
830	Y	91.6	Very high	88.2	Confident	25 Å²	25	69.6 Å²	69.6	10%	0.098	33%	0.328	C	S	.	.	H	α-helix	trans	-59	-41.7	173.2	167.8	-104.1	0	0	0	112.6	Y804 F811 C826 I827 H828 L832 K834 Y839	Y804-Y830 HydrophobicContact CD2-CD2 4.34Å; Y804-Y830 AromaticContact CE2-CD2 3.73Å; Y804-Y830 HydrophobicContact CE2-CD2 3.73Å; Y804-Y830 AromaticContact CE2-CE2 3.6Å; Y804-Y830 HydrophobicContact CE2-CE2 3.6Å; Y804-Y830 AromaticContact CZ-CE2 3.77Å; F811-Y830 AromaticContact CE1-CD1 3.91Å; F811-Y830 HydrophobicContact CE1-CD1 3.91Å; F811-Y830 HydrophobicContact CE1-CD2 4.3Å; F811-Y830 AromaticContact CE1-CG 3.72Å; F811-Y830 HydrophobicContact CE1-CG 3.72Å; F811-Y830 AromaticContact CZ-CD1 3.52Å; F811-Y830 HydrophobicContact CZ-CD1 3.52Å; F811-Y830 HydrophobicContact CZ-CD2 4.43Å; F811-Y830 AromaticContact CZ-CE1 3.96Å; F811-Y830 HydrophobicContact CZ-CE1 3.96Å; F811-Y830 AromaticContact CZ-CG 3.81Å; F811-Y830 HydrophobicContact CZ-CG 3.81Å; C826-Y830 WeakPolarHBondContact O-CB 3.33Å; C826-Y830 PolarHBondContact O-N 3.35Å; C826-Y830 VanDerWaalsContact O-N 3.11Å; I827-Y830 WeakPolarHBondContact O-CB 3.19Å; I827-Y830 PolarHBondContact O-N 2.94Å; H828-Y830 VanDerWaalsContact C-N 3.33Å; H828-Y830 PolarHBondContact O-N 3.19Å; Y830-L832 VanDerWaalsContact C-N 3.33Å; Y830-L832 PolarHBondContact O-N 3.07Å; Y830-K834 HydrophobicContact CD1-CD 4.36Å; Y830-K834 HydrophobicContact CD2-CB 4.05Å; Y830-K834 HydrophobicContact CE1-CD 3.94Å; Y830-K834 HydrophobicContact CE2-CB 3.82Å; Y830-K834 HydrophobicContact CE2-CD 4.36Å; Y830-K834 WeakPolarHBondContact O-CB 3.15Å; Y830-K834 WeakPolarHBondContact O-CD 3.48Å; Y830-K834 WeakPolarHBondContact O-CG 3.2Å; Y830-K834 PolarHBondContact O-N 3.35Å; Y830-Y839 AromaticContact CD2-CD2 3.64Å; Y830-Y839 HydrophobicContact CD2-CD2 3.64Å; Y830-Y839 AromaticContact CD2-CE2 3.85Å; Y830-Y839 HydrophobicContact CD2-CE2 3.85Å; Y830-Y839 AromaticContact CE2-CD2 3.83Å; Y830-Y839 HydrophobicContact CE2-CD2 3.83Å; Y830-Y839 HydrophobicContact CE2-CE2 4.48Å
831	Y	90.1	Very high	88.2	Confident	145 Å²	145	66.5 Å²	66.5	57%	0.569	32%	0.321	S	S	*	.	H	α-helix	trans	-66.3	-34.2	179.9	-89.2	-113.4	0	0	0	112.9	I827 H828 Y829 K834	I827-Y831 HydrophobicContact CG2-CD2 4.09Å; I827-Y831 HydrophobicContact CG2-CE2 4.2Å; I827-Y831 WeakPolarHBondContact O-CD2 3.34Å; I827-Y831 PolarHBondContact O-N 2.97Å; H828-Y831 WeakPolarHBondContact O-CA 3.25Å; H828-Y831 PolarHBondContact O-N 2.81Å; Y829-Y831 VanDerWaalsContact C-N 3.34Å; Y829-Y831 PolarHBondContact O-N 2.97Å; Y831-K834 VanDerWaalsContact CG-NZ 3.28Å; Y831-K834 VanDerWaalsContact O-CE 3.27Å; Y831-K834 WeakPolarHBondContact O-CE 3.47Å
832	L	87.8	Confident	88.2	Confident	55 Å²	55	67.3 Å²	67.3	29%	0.288	33%	0.327	S	S	.	.	H	α-helix	trans	-73.8	-52.8	172.8	-62	173.6	0	0	0	112.1	Q787 L789 H828 Y829 Y830	Q787-L832 HydrophobicContact CG-CD2 4.23Å; L789-L832 HydrophobicContact CD1-CB 4.36Å; L789-L832 HydrophobicContact CD1-CD1 4.31Å; L789-L832 HydrophobicContact CD2-CB 3.94Å; L789-L832 HydrophobicContact CD2-CD1 4.42Å; L789-L832 HydrophobicContact CG-CB 4.37Å; L789-L832 HydrophobicContact CG-CD1 4.08Å; H828-L832 WeakPolarHBondContact O-CG 3.49Å; H828-L832 PolarHBondContact O-N 3.46Å; Y829-L832 PolarHBondContact O-N 3.37Å; Y830-L832 VanDerWaalsContact C-N 3.33Å; Y830-L832 PolarHBondContact O-N 3.07Å
833	S	88.6	Confident	88.1	Confident	3 Å²	3	66 Å²	66	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-81.5	-23.5	-168.7	69	0	0	0	0	114.9	Y829 K835 K836 E837 Y839	Y829-S833 WeakPolarHBondContact CE1-OG 3.47Å; Y829-S833 WeakPolarHBondContact O-CB 3.49Å; Y829-S833 PolarHBondContact O-N 3.06Å; Y829-S833 PolarHBondContact O-OG 3.32Å; S833-K835 PolarHBondContact O-N 3.2Å; S833-K836 PolarHBondContact O-N 2.96Å; S833-E837 PolarHBondContact O-N 3.33Å; S833-Y839 VanDerWaalsContact OG-CE2 3.23Å; S833-Y839 WeakPolarHBondContact OG-CE2 3.38Å; S833-Y839 PolarHBondContact OG-OH 3.08Å
834	K	87.3	Confident	87.9	Confident	65 Å²	65	73.4 Å²	73.4	28%	0.283	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-24.7	-173.4	64.9	-167.9	174.8	-164.2	0	116.3	Y830 Y831 G838 Y839	Y830-K834 HydrophobicContact CD1-CD 4.36Å; Y830-K834 HydrophobicContact CD2-CB 4.05Å; Y830-K834 HydrophobicContact CE1-CD 3.94Å; Y830-K834 HydrophobicContact CE2-CB 3.82Å; Y830-K834 HydrophobicContact CE2-CD 4.36Å; Y830-K834 WeakPolarHBondContact O-CB 3.15Å; Y830-K834 WeakPolarHBondContact O-CD 3.48Å; Y830-K834 WeakPolarHBondContact O-CG 3.2Å; Y830-K834 PolarHBondContact O-N 3.35Å; Y831-K834 VanDerWaalsContact CG-NZ 3.28Å; Y831-K834 VanDerWaalsContact O-CE 3.27Å; Y831-K834 WeakPolarHBondContact O-CE 3.47Å; K834-G838 WeakPolarHBondContact O-CA 3.46Å; K834-G838 PolarHBondContact O-N 2.79Å; K834-Y839 HydrophobicContact CB-CD2 3.82Å; K834-Y839 HydrophobicContact CB-CE2 4.27Å
835	K	85.4	Confident	87.6	Confident	191 Å²	191	76.6 Å²	76.6	83%	0.83	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-42.1	173.5	-75.1	-173.5	177.1	-179.4	0	111.8	S833	S833-K835 PolarHBondContact O-N 3.2Å
836	K	84.9	Confident	87.4	Confident	183 Å²	183	75.3 Å²	75.3	80%	0.796	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-52.3	-179.4	-173.8	-177	177.5	-173.8	0	111.8	S833 G838	S833-K836 PolarHBondContact O-N 2.96Å; K836-G838 VanDerWaalsContact C-N 3.28Å; K836-G838 PolarHBondContact O-N 2.99Å
837	E	84.4	Confident	87	Confident	58 Å²	58	78.9 Å²	78.9	27%	0.271	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-13	179	-66.7	-55.6	115.7	0	0	113.4	K801 S833 Y839	K801-E837 WeakPolarHBondContact CE-OE2 3.4Å; K801-E837 IonicContact NZ-OE2 2.6Å; K801-E837 PolarHBondContact NZ-OE2 2.88Å; S833-E837 PolarHBondContact O-N 3.33Å; E837-Y839 VanDerWaalsContact C-N 3.3Å; E837-Y839 HydrophobicContact CB-CD1 3.89Å; E837-Y839 HydrophobicContact CB-CE1 3.51Å; E837-Y839 HydrophobicContact CB-CE2 4.27Å; E837-Y839 HydrophobicContact CB-CG 4.4Å; E837-Y839 HydrophobicContact CG-CE1 4.01Å; E837-Y839 PolarHBondContact O-N 2.87Å
838	G	85.2	Confident	86.5	Confident	19 Å²	19	79 Å²	79	20%	0.196	37%	0.369	C	S	.	.			trans	56.9	37.8	176.2	0	0	0	0	0	114	K834 K836 K840 Q841 L842	K834-G838 WeakPolarHBondContact O-CA 3.46Å; K834-G838 PolarHBondContact O-N 2.79Å; K836-G838 VanDerWaalsContact C-N 3.28Å; K836-G838 PolarHBondContact O-N 2.99Å; G838-K840 PolarHBondContact O-N 3.35Å; G838-Q841 WeakPolarHBondContact O-CA 3.47Å; G838-Q841 WeakPolarHBondContact O-CB 3.46Å; G838-Q841 PolarHBondContact O-N 2.96Å; G838-L842 PolarHBondContact O-N 3.2Å
839	Y	88.5	Confident	86.1	Confident	2 Å²	2	84.2 Å²	84.2	1%	0.008	39%	0.385	C	S	.	.	H	α-helix	trans	-47.9	-32	-168.2	-63.6	-53.8	0	0	0	115.6	F800 K801 Y804 Y829 Y830 S833 K834 E837 Q841 L842 L843	F800-Y839 HydrophobicContact CE1-CE2 4.18Å; F800-Y839 AromaticContact CE1-CZ 3.94Å; K801-Y839 HydrophobicContact CG-CE1 4.45Å; Y804-Y839 HydrophobicContact CD1-CD1 4.32Å; Y804-Y839 HydrophobicContact CD1-CG 4.24Å; Y804-Y839 HydrophobicContact CE1-CG 4.16Å; Y829-Y839 VanDerWaalsContact CE1-OH 3.28Å; Y829-Y839 WeakPolarHBondContact CE1-OH 3.41Å; Y830-Y839 AromaticContact CD2-CD2 3.64Å; Y830-Y839 HydrophobicContact CD2-CD2 3.64Å; Y830-Y839 AromaticContact CD2-CE2 3.85Å; Y830-Y839 HydrophobicContact CD2-CE2 3.85Å; Y830-Y839 AromaticContact CE2-CD2 3.83Å; Y830-Y839 HydrophobicContact CE2-CD2 3.83Å; Y830-Y839 HydrophobicContact CE2-CE2 4.48Å; S833-Y839 VanDerWaalsContact OG-CE2 3.23Å; S833-Y839 WeakPolarHBondContact OG-CE2 3.38Å; S833-Y839 PolarHBondContact OG-OH 3.08Å; K834-Y839 HydrophobicContact CB-CD2 3.82Å; K834-Y839 HydrophobicContact CB-CE2 4.27Å; E837-Y839 VanDerWaalsContact C-N 3.3Å; E837-Y839 HydrophobicContact CB-CD1 3.89Å; E837-Y839 HydrophobicContact CB-CE1 3.51Å; E837-Y839 HydrophobicContact CB-CE2 4.27Å; E837-Y839 HydrophobicContact CB-CG 4.4Å; E837-Y839 HydrophobicContact CG-CE1 4.01Å; E837-Y839 PolarHBondContact O-N 2.87Å; Y839-Q841 VanDerWaalsContact C-N 3.32Å; Y839-Q841 PolarHBondContact O-N 3.43Å; Y839-L842 PolarHBondContact O-N 3.22Å; Y839-L843 WeakPolarHBondContact O-CB 3.39Å; Y839-L843 PolarHBondContact O-N 3.2Å
840	K	84.7	Confident	85.5	Confident	173 Å²	173	91 Å²	91	75%	0.752	41%	0.41	S	S	*	.	H	α-helix	trans	-59.1	-39.1	172.8	-75.9	-171.7	175.5	-176.3	0	112.9	G838 K844	G838-K840 PolarHBondContact O-N 3.35Å; K840-K844 WeakPolarHBondContact O-CG 3.48Å; K840-K844 PolarHBondContact O-N 3.44Å
841	Q	85.5	Confident	84.6	Confident	116 Å²	116	99.1 Å²	99.1	54%	0.542	44%	0.441	S	S	.	.	H	α-helix	trans	-73.5	-41	175.5	-55.5	-171.1	18.9	0	0	111.3	G838 Y839 K844 K845	G838-Q841 WeakPolarHBondContact O-CA 3.47Å; G838-Q841 WeakPolarHBondContact O-CB 3.46Å; G838-Q841 PolarHBondContact O-N 2.96Å; Y839-Q841 VanDerWaalsContact C-N 3.32Å; Y839-Q841 PolarHBondContact O-N 3.43Å; Q841-K844 WeakPolarHBondContact O-CB 3.42Å; Q841-K844 PolarHBondContact O-N 3.2Å; Q841-K845 WeakPolarHBondContact O-CG 3.37Å; Q841-K845 PolarHBondContact O-N 2.79Å
842	L	87	Confident	83.8	Confident	49 Å²	49	101.2 Å²	101.2	26%	0.257	45%	0.448	S	S	.	.	H	α-helix	trans	-62.8	-43.9	179.2	-160.9	68.6	0	0	0	111.1	K801 L805 G838 Y839 K845 H846	K801-L842 HydrophobicContact CD-CD2 4.42Å; K801-L842 HydrophobicContact CG-CD2 3.86Å; L805-L842 HydrophobicContact CD1-CD2 3.86Å; L805-L842 HydrophobicContact CD1-CG 4Å; L805-L842 HydrophobicContact CD2-CB 4.19Å; L805-L842 HydrophobicContact CD2-CD2 4.14Å; L805-L842 HydrophobicContact CD2-CG 3.91Å; L805-L842 HydrophobicContact CG-CD2 4.24Å; L805-L842 HydrophobicContact CG-CG 4.44Å; G838-L842 PolarHBondContact O-N 3.2Å; Y839-L842 PolarHBondContact O-N 3.22Å; L842-K845 PolarHBondContact O-N 2.81Å; L842-H846 WeakPolarHBondContact O-CB 3.48Å; L842-H846 PolarHBondContact O-N 3.25Å
843	L	86.9	Confident	82.9	Confident	32 Å²	32	101.1 Å²	101.1	17%	0.168	46%	0.455	C	S	.	.	H	α-helix	trans	-64.3	-39.7	174.5	-171.8	66	0	0	0	112.4	L805 P808 Y839 H846 N847	L805-L843 HydrophobicContact CD2-CB 4.23Å; L805-L843 HydrophobicContact CD2-CD1 4.2Å; P808-L843 HydrophobicContact CB-CD1 4.29Å; P808-L843 HydrophobicContact CB-CD2 3.8Å; P808-L843 HydrophobicContact CG-CD1 4.33Å; P808-L843 HydrophobicContact CG-CD2 4.17Å; Y839-L843 WeakPolarHBondContact O-CB 3.39Å; Y839-L843 PolarHBondContact O-N 3.2Å; L843-H846 PolarHBondContact O-N 3.19Å; L843-N847 WeakPolarHBondContact O-CB 3.44Å; L843-N847 VanDerWaalsContact O-CG 3.22Å; L843-N847 PolarHBondContact O-N 3Å
844	K	86	Confident	81.9	Confident	164 Å²	164	103.8 Å²	103.8	71%	0.713	48%	0.477	S	S	*	.	H	α-helix	trans	-58.5	-46.6	170.5	-81.1	-177.1	175.2	-169.9	0	111.5	K840 Q841 A848	K840-K844 WeakPolarHBondContact O-CG 3.48Å; K840-K844 PolarHBondContact O-N 3.44Å; Q841-K844 WeakPolarHBondContact O-CB 3.42Å; Q841-K844 PolarHBondContact O-N 3.2Å; K844-A848 WeakPolarHBondContact O-CB 3.19Å; K844-A848 PolarHBondContact O-N 3.31Å
845	K	85.1	Confident	80.8	Confident	126 Å²	126	107.6 Å²	107.6	55%	0.548	50%	0.496	S	S	.	.	H	α-helix	trans	-64.6	-43.2	178.6	-72.4	176.8	178.8	179.5	0	111.9	Q841 L842 A848 R849	Q841-K845 WeakPolarHBondContact O-CG 3.37Å; Q841-K845 PolarHBondContact O-N 2.79Å; L842-K845 PolarHBondContact O-N 2.81Å; K845-A848 PolarHBondContact O-N 3.45Å; K845-R849 WeakPolarHBondContact O-CG 3.46Å; K845-R849 PolarHBondContact O-N 3.25Å; K845-R849 VanDerWaalsContact O-N 3.08Å
846	H	84.6	Confident	79.7	Confident	40 Å²	40	103.5 Å²	103.5	19%	0.185	49%	0.487	C	S	.	.	H	α-helix	trans	-62.5	-49.1	176	170.5	-120	0	0	0	112.1	L805 L842 L843 A848 R849 R850	L805-H846 HydrophobicContact CD2-CB 3.98Å; L805-H846 PolarHBondContact O-CE1 2.74Å; L805-H846 PolarHBondContact O-ND1 3.41Å; L842-H846 WeakPolarHBondContact O-CB 3.48Å; L842-H846 PolarHBondContact O-N 3.25Å; L843-H846 PolarHBondContact O-N 3.19Å; H846-A848 VanDerWaalsContact C-N 3.29Å; H846-A848 PolarHBondContact O-N 2.86Å; H846-R849 PolarHBondContact O-N 3.05Å; H846-R849 VanDerWaalsContact O-N 3.1Å; H846-R850 PolarHBondContact CE1-NE 3.05Å; H846-R850 PolarHBondContact NE2-NE 3.31Å; H846-R850 PolarHBondContact NE2-NH2 3.04Å; H846-R850 PolarHBondContact O-N 3.47Å
847	N	83.6	Confident	78.5	Confident	75 Å²	75	102.3 Å²	102.3	40%	0.401	48%	0.484	S	S	.	.	H	α-helix	trans	-64.7	-33.6	179.4	-68.3	-4.2	0	0	0	112.2	L843 R851	L843-N847 WeakPolarHBondContact O-CB 3.44Å; L843-N847 VanDerWaalsContact O-CG 3.22Å; L843-N847 PolarHBondContact O-N 3Å; N847-R851 WeakPolarHBondContact O-CG 3.36Å; N847-R851 PolarHBondContact O-N 3.46Å; N847-R851 VanDerWaalsContact O-N 3.15Å
848	A	80.3	Confident	77.1	Confident	49 Å²	49	110.6 Å²	110.6	41%	0.405	51%	0.513	S	S	.	.	H	α-helix	trans	-66.3	-39.5	172.2	0	0	0	0	0	112.7	K844 K845 H846 R851 R852	K844-A848 WeakPolarHBondContact O-CB 3.19Å; K844-A848 PolarHBondContact O-N 3.31Å; K845-A848 PolarHBondContact O-N 3.45Å; H846-A848 VanDerWaalsContact C-N 3.29Å; H846-A848 PolarHBondContact O-N 2.86Å; A848-R851 PolarHBondContact O-N 3.2Å; A848-R852 PolarHBondContact O-N 3.08Å
849	R	79.4	Confident	75.5	Confident	188 Å²	188	113 Å²	113	71%	0.709	54%	0.538	S	S	*	.	H	α-helix	trans	-63.4	-47.3	173.9	-69.2	-178.4	-158.2	-132.2	9	111.7	K845 H846 R851 R852 A853	K845-R849 WeakPolarHBondContact O-CG 3.46Å; K845-R849 PolarHBondContact O-N 3.25Å; K845-R849 VanDerWaalsContact O-N 3.08Å; H846-R849 PolarHBondContact O-N 3.05Å; H846-R849 VanDerWaalsContact O-N 3.1Å; R849-R851 VanDerWaalsContact C-N 3.29Å; R849-R851 PolarHBondContact O-N 3.46Å; R849-R852 PolarHBondContact O-N 2.95Å; R849-R852 VanDerWaalsContact O-N 3.1Å; R849-A853 PolarHBondContact O-N 3.16Å
850	R	77.6	Confident	73.1	Confident	153 Å²	153	116.8 Å²	116.8	58%	0.577	58%	0.577	S	S	*	*	H	α-helix	trans	-57.5	-39.8	176.7	-72.6	-160.9	-174.9	-156.9	3.2	112.6	H846 A854	H846-R850 PolarHBondContact CE1-NE 3.05Å; H846-R850 PolarHBondContact NE2-NE 3.31Å; H846-R850 PolarHBondContact NE2-NH2 3.04Å; H846-R850 PolarHBondContact O-N 3.47Å; R850-A854 WeakPolarHBondContact O-CB 3.23Å; R850-A854 PolarHBondContact O-N 3.18Å; R850-A854 VanDerWaalsContact O-N 3.07Å
851	R	73.4	Confident	70.9	Confident	196 Å²	196	112.6 Å²	112.6	74%	0.74	58%	0.584	S	S	*	*	H	α-helix	trans	-63	-40.3	175.4	-74.5	-178.6	-175.5	-172.7	0.9	113	N847 A848 R849 Q855	N847-R851 WeakPolarHBondContact O-CG 3.36Å; N847-R851 PolarHBondContact O-N 3.46Å; N847-R851 VanDerWaalsContact O-N 3.15Å; A848-R851 PolarHBondContact O-N 3.2Å; R849-R851 VanDerWaalsContact C-N 3.29Å; R849-R851 PolarHBondContact O-N 3.46Å; R851-Q855 WeakPolarHBondContact O-CG 3.26Å; R851-Q855 PolarHBondContact O-N 3.31Å
852	R	72.9	Confident	68.7	Low	189 Å²	189	111.1 Å²	111.1	71%	0.713	60%	0.599	S	S	*	*	H	α-helix	trans	-68.1	-46.2	177.4	-71.7	-178.8	177.3	-176.4	-2.7	111.9	A848 R849 A854 Q855 T856	A848-R852 PolarHBondContact O-N 3.08Å; R849-R852 PolarHBondContact O-N 2.95Å; R849-R852 VanDerWaalsContact O-N 3.1Å; R852-A854 VanDerWaalsContact C-N 3.31Å; R852-A854 PolarHBondContact O-N 3.04Å; R852-Q855 WeakPolarHBondContact O-CB 3.37Å; R852-Q855 PolarHBondContact O-N 2.92Å; R852-T856 PolarHBondContact O-N 2.97Å
853	A	70.3	Confident	66.4	Low	53 Å²	53	112.7 Å²	112.7	44%	0.438	63%	0.627	S	S	.	*	H	α-helix	trans	-56.1	-46.2	175.7	0	0	0	0	0	111.6	R849 Q855 T856 E857	R849-A853 PolarHBondContact O-N 3.16Å; A853-Q855 PolarHBondContact O-N 3.21Å; A853-T856 PolarHBondContact O-N 2.84Å; A853-E857 PolarHBondContact O-N 3.41Å
854	A	67.6	Low	64.1	Low	59 Å²	59	114.5 Å²	114.5	49%	0.488	65%	0.654	S	S	.	*	H	α-helix	trans	-65.5	-6.7	177.2	0	0	0	0	0	115.4	R850 R852	R850-A854 WeakPolarHBondContact O-CB 3.23Å; R850-A854 PolarHBondContact O-N 3.18Å; R850-A854 VanDerWaalsContact O-N 3.07Å; R852-A854 VanDerWaalsContact C-N 3.31Å; R852-A854 PolarHBondContact O-N 3.04Å
855	Q	62.9	Low	62.2	Low	145 Å²	145	113.5 Å²	113.5	68%	0.678	66%	0.662	S	S	*	*	H	α-helix	trans	-95	-31.5	170.6	-68.8	178.3	-69.8	0	0	112.2	R851 R852 A853	R851-Q855 WeakPolarHBondContact O-CG 3.26Å; R851-Q855 PolarHBondContact O-N 3.31Å; R852-Q855 WeakPolarHBondContact O-CB 3.37Å; R852-Q855 PolarHBondContact O-N 2.92Å; A853-Q855 PolarHBondContact O-N 3.21Å
856	T	63.6	Low	60	Low	104 Å²	104	111.7 Å²	111.7	64%	0.638	68%	0.678	S	S	*	*	H	α-helix	trans	-67.2	-45.6	174.9	-54.2	0	0	0	0	111.5	R852 A853 R858 G859	R852-T856 PolarHBondContact O-N 2.97Å; A853-T856 PolarHBondContact O-N 2.84Å; T856-R858 PolarHBondContact O-N 3.3Å; T856-G859 PolarHBondContact O-N 3.36Å
857	E	59.2	Low	57.9	Low	159 Å²	159	112.8 Å²	112.8	74%	0.743	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	8.3	179.7	-58.1	-54.9	134.5	0	0	115.1	A853	A853-E857 PolarHBondContact O-N 3.41Å
858	R	55.7	Low	56	Low	231 Å²	231	116.1 Å²	116.1	87%	0.872	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.9	10.8	179	-65.9	-170.4	174	-150.1	-3.9	114	T856	T856-R858 PolarHBondContact O-N 3.3Å
859	G	50.4	Low	54.2	Low	71 Å²	71	118.5 Å²	118.5	73%	0.732	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.7	-7.6	-179.3	0	0	0	0	0	116	T856	T856-G859 PolarHBondContact O-N 3.36Å
860	G	39.2	Very low	52.4	Low	80 Å²	80	114.7 Å²	114.7	83%	0.825	74%	0.74	S	S	*	*			trans	-107.8	100.2	-178.5	0	0	0	0	0	112.5
861	G	38.4	Very low	50.6	Low	86 Å²	86	114.6 Å²	114.6	89%	0.887	75%	0.751	S	S	*	*			trans	175.1	69.6	-178.2	0	0	0	0	0	114.2
862	G	38.3	Very low	49.1	Very low	84 Å²	84	110.1 Å²	110.1	87%	0.866	75%	0.749	S	S	*	*			trans	170.7	116.1	176.7	0	0	0	0	0	109.4
863	G	39	Very low	47.6	Very low	82 Å²	82	108.5 Å²	108.5	85%	0.845	76%	0.755	S	S	*	*			trans	-127.1	164.8	-169.7	0	0	0	0	0	113.7
864	G	39.5	Very low	46.2	Very low	71 Å²	71	111 Å²	111	73%	0.732	78%	0.775	S	S	*	*			trans	88.7	142.7	-178.2	0	0	0	0	0	113.4
865	T	46.2	Very low	44.7	Very low	143 Å²	143	111.9 Å²	111.9	88%	0.877	79%	0.791	S	S	*	*			cis	-154.9	133.6	-6.7	43.5	0	0	0	0	110.1
866	G	39	Very low	43.6	Very low	87 Å²	87	108.5 Å²	108.5	90%	0.897	79%	0.794	S	S	*	*			trans	76.5	144.8	170.6	0	0	0	0	0	115.4
867	G	39.1	Very low	42.7	Very low	64 Å²	64	108.9 Å²	108.9	66%	0.66	80%	0.801	S	S	*	*			cis	164.7	143.6	-9.8	0	0	0	0	0	111.9
868	V	43.9	Very low	42	Very low	144 Å²	144	107.3 Å²	107.3	87%	0.873	81%	0.808	S	S	*	*			trans	53.4	143.3	168.1	-61.5	0	0	0	0	118.8
869	S	42.6	Very low	41.2	Very low	100 Å²	100	99.7 Å²	99.7	70%	0.699	80%	0.801	S	S	*	*			cis	-162.6	159	-15.6	-100.2	0	0	0	0	111
870	S	42.2	Very low	40.9	Very low	108 Å²	108	100.7 Å²	100.7	76%	0.755	80%	0.797	S	S	*	*			trans	37.9	95.8	151.2	61	0	0	0	0	121.3
871	N	39.7	Very low	41.2	Very low	151 Å²	151	106.1 Å²	106.1	81%	0.807	80%	0.801	S	S	*	*				40.1	113.7	109.9	-175.8	70	0	0	0	120.3
872	S	42.1	Very low	41.3	Very low	102 Å²	102	105.6 Å²	105.6	71%	0.713	80%	0.795	S	S	*	*				177.8	151.1	114.9	44.9	0	0	0	0	115.8
873	N	41.6	Very low	41.4	Very low	154 Å²	154	107.1 Å²	107.1	82%	0.824	79%	0.793	S	S	*	*			trans	34.1	115.1	152.4	-70.3	0.1	0	0	0	124.2
874	A	40.5	Very low	41.6	Very low	105 Å²	105	109 Å²	109	87%	0.868	79%	0.793	S	S	*	*				64.1	133.8	115.5	0	0	0	0	0	123.4
875	G	36.4	Very low	41.6	Very low	79 Å²	79	111 Å²	111	81%	0.814	80%	0.795	S	S	*	*			trans	119.1	139.5	151.3	0	0	0	0	0	116.3
876	G	38.1	Very low	41.3	Very low	73 Å²	73	108.5 Å²	108.5	75%	0.753	78%	0.784	S	S	*	*			trans	79.5	118.7	176.7	0	0	0	0	0	113.7
877	S	45.7	Very low	41.1	Very low	112 Å²	112	111.5 Å²	111.5	78%	0.783	78%	0.779	S	S	*	*			cis	84.5	113.6	18.1	-50.3	0	0	0	0	117.3
878	S	43.8	Very low	41.2	Very low	126 Å²	126	115.1 Å²	115.1	88%	0.881	78%	0.784	S	S	*	*			trans	70.4	148.1	157.4	63.9	0	0	0	0	120.5
879	G	38.7	Very low	41	Very low	71 Å²	71	112.5 Å²	112.5	73%	0.732	77%	0.771	S	S	*	*			trans	104.3	79.9	178.7	0	0	0	0	0	113.4
880	S	45.3	Very low	40.8	Very low	92 Å²	92	115.6 Å²	115.6	64%	0.643	78%	0.78	S	S	*	*			cis	105.7	140.6	27.1	-61.3	0	0	0	0	113.2
881	H	45.8	Very low	40.7	Very low	195 Å²	195	117.3 Å²	117.3	90%	0.903	78%	0.778	S	S	*	*			trans	78.4	136.8	172.3	-46.7	-72.5	0	0	0	118.2
882	G	39.2	Very low	40.7	Very low	75 Å²	75	118.2 Å²	118.2	77%	0.773	78%	0.783	S	S	*	*			trans	156.8	41.1	179.7	0	0	0	0	0	117.7
883	S	41.7	Very low	40.5	Very low	116 Å²	116	117.9 Å²	117.9	81%	0.811	78%	0.777	S	S	*	*			trans	24.3	124.6	162.2	-52.3	0	0	0	0	119.9
884	S	41.6	Very low	40.5	Very low	121 Å²	121	116.7 Å²	116.7	85%	0.846	77%	0.769	S	S	*	*				-159.6	140.4	70.4	-66	0	0	0	0	114.8
885	S	40	Very low	40.5	Very low	112 Å²	112	117.4 Å²	117.4	78%	0.783	77%	0.765	S	S	*	*			trans	-72	179.2	172.5	-53.1	0	0	0	0	113.3
886	S	39.5	Very low	40.7	Very low	92 Å²	92	118.6 Å²	118.6	64%	0.643	76%	0.758	S	S	*	*			cis	179.4	140.6	-37.7	-80.1	0	0	0	0	107.6
887	N	36.1	Very low	40.7	Very low	150 Å²	150	120.9 Å²	120.9	80%	0.802	76%	0.762	S	S	*	*			trans	64.5	164.8	161.3	-52.3	-20.4	0	0	0	115.3
888	N	40	Very low	40.2	Very low	140 Å²	140	121.7 Å²	121.7	75%	0.749	77%	0.768	S	S	*	*			cis	-145.8	155.2	8.7	-148.6	0.1	0	0	0	113.6
889	S	41	Very low	39.8	Very low	88 Å²	88	119.3 Å²	119.3	62%	0.615	76%	0.764	S	S	*	*			trans	25.2	123	151.2	61.5	0	0	0	0	121.6
890	N	37.6	Very low	39.3	Very low	165 Å²	165	121.4 Å²	121.4	88%	0.882	77%	0.767	S	S	*	*				-144.4	156.4	113.6	-151.2	-9.4	0	0	0	111.3
891	M	40.8	Very low	38.5	Very low	144 Å²	144	122.1 Å²	122.1	71%	0.709	77%	0.771	S	S	*	*			trans	-96.7	153.6	-163.7	-63.2	-74.8	-169.4	0	0	113.5
892	N	39.9	Very low	37.8	Very low	171 Å²	171	121.8 Å²	121.8	91%	0.914	77%	0.77	S	S	*	*				-151	148.3	109	-139.1	-20.2	0	0	0	111.6
893	T	37.2	Very low	37.2	Very low	95 Å²	95	125.7 Å²	125.7	58%	0.583	77%	0.773	S	S	*	*			trans	-119.1	141.5	-145.1	-51.8	0	0	0	0	115.3
894	I	42.5	Very low	36.6	Very low	128 Å²	128	123.6 Å²	123.6	66%	0.656	77%	0.769	S	S	*	*			trans	-37.8	171.3	155.9	-8.6	170.9	0	0	0	115	P896	I894-P896 HydrophobicContact CD1-CG 4.48Å; I894-P896 HydrophobicContact CG2-CB 4.45Å; I894-P896 HydrophobicContact CG2-CG 4.19Å
895	P	40.1	Very low	36	Very low	120 Å²	120	125.8 Å²	125.8	78%	0.779	77%	0.766	S	S	*	*				-133.9	140.3	97	36.9	-28.8	0	0	0	114.1
896	P	39.3	Very low	35.7	Very low	105 Å²	105	125.9 Å²	125.9	68%	0.682	76%	0.762	S	S	*	*			trans	-99.9	123.6	167.3	34.6	-22.4	0	0	0	110.4	I894	I894-P896 HydrophobicContact CD1-CG 4.48Å; I894-P896 HydrophobicContact CG2-CB 4.45Å; I894-P896 HydrophobicContact CG2-CG 4.19Å
897	S	39.6	Very low	35.2	Very low	120 Å²	120	127.7 Å²	127.7	84%	0.839	76%	0.764	S	S	*	*			trans	-105.2	130.9	170.1	-67.1	0	0	0	0	110.6
898	S	35.5	Very low	35	Very low	130 Å²	130	128 Å²	128	91%	0.909	76%	0.764	S	S	*	*			trans	-71.1	125	-175.7	35.8	0	0	0	0	112.4
899	G	33.6	Very low	34.6	Very low	76 Å²	76	127.7 Å²	127.7	78%	0.784	76%	0.763	S	S	*	*			trans	-139.5	102.8	168.1	0	0	0	0	0	109
900	S	30.1	Very low	34.1	Very low	115 Å²	115	128.7 Å²	128.7	80%	0.804	77%	0.769	S	S	*	*			trans	-70	135.9	178.1	-176.7	0	0	0	0	110.7
901	C	27	Very low	33.8	Very low	106 Å²	106	126.8 Å²	126.8	72%	0.716	77%	0.766	S	S	*	*				166.5	109.7	128.9	-86.5	0	0	0	0	113
902	Q	30.6	Very low	33.5	Very low	188 Å²	188	132.1 Å²	132.1	88%	0.879	78%	0.778	S	S	*	*			trans	55.1	157.2	134.7	-55.1	-167.7	9.3	0	0	122.9
903	N	28.4	Very low	33.1	Very low	158 Å²	158	127 Å²	127	85%	0.845	77%	0.767	S	S	*	*			trans	-67.9	131.2	-176.2	-62.6	-61.9	0	0	0	113.5
904	G	28.3	Very low	33.1	Very low	71 Å²	71	129.7 Å²	129.7	73%	0.732	77%	0.773	S	S	*	*			trans	-114.9	68.9	177	0	0	0	0	0	114.4	T906	G904-T906 PolarHBondContact O-N 2.77Å
905	H	29.6	Very low	32.7	Very low	167 Å²	167	133 Å²	133	77%	0.773	78%	0.777	S	S	*	*			trans	-83.6	100.2	169.8	-83.5	-97.6	0	0	0	111
906	T	33.4	Very low	32.6	Very low	114 Å²	114	133.2 Å²	133.2	70%	0.699	77%	0.772	S	S	*	*			trans	-125.5	130.2	170.2	57.6	0	0	0	0	109.5	G904	G904-T906 PolarHBondContact O-N 2.77Å
907	N	28.2	Very low	32.3	Very low	130 Å²	130	135.5 Å²	135.5	70%	0.695	77%	0.773	S	S	*	*			cis	54.6	95.8	11.3	-156.8	24.3	0	0	0	114.6
908	I	33	Very low	32.4	Very low	157 Å²	157	135.5 Å²	135.5	81%	0.805	77%	0.768	S	S	*	*			trans	-126.6	72.2	164.4	-53.7	-179.7	0	0	0	105.9
909	N	30.3	Very low	32.5	Very low	134 Å²	134	136.1 Å²	136.1	72%	0.717	76%	0.761	S	S	*	*			trans	-90.8	161.8	153.9	-84.2	19.3	0	0	0	108.2
910	S	31.5	Very low	32.7	Very low	108 Å²	108	139.7 Å²	139.7	76%	0.755	76%	0.757	S	S	*	*			trans	-22.1	133.1	179.6	-43.7	0	0	0	0	118.2	R912	S910-R912 PolarHBondContact O-N 3.3Å
911	P	31.2	Very low	33.1	Very low	126 Å²	126	143.2 Å²	143.2	82%	0.818	76%	0.758	S	S	*	*			trans	-73.4	124.4	172.2	31.1	-33.4	0	0	0	111.8
912	R	34.6	Very low	33.6	Very low	255 Å²	255	143.3 Å²	143.3	96%	0.962	75%	0.752	S	S	*	*			trans	-168.1	125.2	169.7	-150.8	-176.7	-165.8	-161.4	5.4	106.4	S910	S910-R912 PolarHBondContact O-N 3.3Å
913	G	31.9	Very low	34.4	Very low	65 Å²	65	139.4 Å²	139.4	67%	0.67	74%	0.743	S	S	*	*			cis	175.3	-174.7	-5.8	0	0	0	0	0	108.5
914	E	36	Very low	34.7	Very low	151 Å²	151	141.8 Å²	141.8	71%	0.706	74%	0.74	S	S	*	*			trans	77.8	125.4	166.2	-57.6	-164	153.8	0	0	120.9
915	R	35.6	Very low	35	Very low	197 Å²	197	141.8 Å²	141.8	74%	0.743	74%	0.74	S	S	*	*			trans	70.5	136.5	137.4	-64.3	-172.1	-98	-157.1	-3.9	119
916	N	36.4	Very low	35.5	Very low	125 Å²	125	142 Å²	142	67%	0.668	75%	0.746	S	S	*	*			cis	-146.7	179.6	7.6	-122.8	34.2	0	0	0	113
917	E	33.8	Very low	35.8	Very low	152 Å²	152	146 Å²	146	71%	0.71	75%	0.754	S	S	*	*			trans	-55.5	160.4	176.7	-54.9	111.3	133.9	0	0	113.1
918	T	41	Very low	36	Very low	121 Å²	121	146.6 Å²	146.6	74%	0.742	76%	0.757	S	S	*	*			cis	-125.2	-167.8	28	59.2	0	0	0	0	112.1
919	D	38.7	Very low	36.2	Very low	143 Å²	143	144.2 Å²	144.2	77%	0.765	75%	0.754	S	S	*	*			cis	-154.6	-177.6	18.8	-133.9	-52.1	0	0	0	115.7
920	E	36.8	Very low	36.5	Very low	150 Å²	150	146.1 Å²	146.1	70%	0.701	76%	0.759	S	S	*	*			trans	-95.6	125.8	-162.1	-170.6	-141.3	151.9	0	0	115.8
921	K	39.8	Very low	36.7	Very low	189 Å²	189	147.9 Å²	147.9	82%	0.822	77%	0.765	S	S	*	*				-175.2	129.9	122.4	-106.4	164.3	-176.5	159.2	0	115
922	D	37.2	Very low	36.8	Very low	108 Å²	108	148.5 Å²	148.5	58%	0.578	76%	0.762	S	S	*	*			trans	-124	152.8	176.2	173.6	54.1	0	0	0	110.1	R924	D922-R924 VanDerWaalsContact CG-N 3.29Å; D922-R924 PolarHBondContact OD1-N 3.36Å; D922-R924 PolarHBondContact OD2-N 2.93Å
923	P	46.4	Very low	36.8	Very low	106 Å²	106	140.6 Å²	140.6	69%	0.688	75%	0.746	S	S	*	*				-144.2	114.4	117.5	34.2	-17.3	0	0	0	116.9
924	R	35	Very low	36.8	Very low	208 Å²	208	142.8 Å²	142.8	79%	0.785	75%	0.75	S	S	*	*				61.2	122.2	115.7	-69	165.9	-97.4	-126.9	-10.5	121	D922	D922-R924 VanDerWaalsContact CG-N 3.29Å; D922-R924 PolarHBondContact OD1-N 3.36Å; D922-R924 PolarHBondContact OD2-N 2.93Å
925	G	35.5	Very low	36.5	Very low	72 Å²	72	147 Å²	147	74%	0.742	76%	0.76	S	S	*	*			trans	135.7	130.7	148.4	0	0	0	0	0	114.1
926	L	39.6	Very low	36.2	Very low	171 Å²	171	147.5 Å²	147.5	90%	0.895	77%	0.768	S	S	*	*			cis	-141.8	169.5	3.6	-85.6	168.9	0	0	0	112.4
927	K	40.3	Very low	36.2	Very low	197 Å²	197	147.1 Å²	147.1	86%	0.857	77%	0.772	S	S	*	*			trans	-58.9	179	-174.3	-57	164	-177.4	175.5	0	115.4
928	N	32.5	Very low	35.9	Very low	144 Å²	144	148.6 Å²	148.6	77%	0.77	78%	0.779	S	S	*	*			cis	170.6	177.1	-40.5	-152	35.3	0	0	0	107.3
929	S	37.1	Very low	35.6	Very low	106 Å²	106	147.7 Å²	147.7	74%	0.741	78%	0.777	S	S	*	*			trans	69	126.8	177.4	67.1	0	0	0	0	116.5
930	Q	35.7	Very low	35.2	Very low	175 Å²	175	146.8 Å²	146.8	82%	0.818	77%	0.773	S	S	*	*			cis	88.1	97.4	12.3	-163.2	-167.3	-9.7	0	0	117.2
931	T	36	Very low	34.9	Very low	144 Å²	144	147.1 Å²	147.1	88%	0.883	77%	0.774	S	S	*	*			trans	-176.8	168.9	140.3	34.5	0	0	0	0	108.6
932	D	33.6	Very low	34.5	Very low	140 Å²	140	144.5 Å²	144.5	75%	0.749	77%	0.774	S	S	*	*				-166.8	156.3	-54	-169.6	3	0	0	0	107.6
933	S	34.8	Very low	34.5	Very low	89 Å²	89	143.6 Å²	143.6	62%	0.622	78%	0.782	S	S	*	*			trans	39.3	108.1	154.1	-67.1	0	0	0	0	122.2
934	S	30.2	Very low	33.8	Very low	110 Å²	110	147 Å²	147	77%	0.769	79%	0.789	S	S	*	*			trans	50.2	111.2	131.3	66.2	0	0	0	0	121.3
935	R	31.4	Very low	33.9	Very low	241 Å²	241	143.5 Å²	143.5	91%	0.909	78%	0.781	S	S	*	*				-168.9	144.4	122.6	-111.2	177	-174.2	-158.2	-0.2	112.1
936	F	28	Very low	34.1	Very low	206 Å²	206	147.3 Å²	147.3	90%	0.904	78%	0.777	S	S	*	*			trans	-84.6	143.9	146.4	-86.7	-90.6	0	0	0	108.1
937	P	37	Very low	33.8	Very low	118 Å²	118	145.7 Å²	145.7	77%	0.766	77%	0.769	S	S	*	*			trans	-126.3	156.1	135.4	36.3	-28.9	0	0	0	111.8
938	E	27.7	Very low	33.8	Very low	183 Å²	183	143.2 Å²	143.2	86%	0.855	77%	0.77	S	S	*	*			trans	-99	176	170.2	-175.3	170.4	-175.5	0	0	109.6
939	S	33.8	Very low	33.8	Very low	101 Å²	101	142.4 Å²	142.4	71%	0.706	77%	0.766	S	S	*	*			trans	91.6	131.7	164.5	77.2	0	0	0	0	120.1
940	N	30	Very low	33.9	Very low	125 Å²	125	141.1 Å²	141.1	67%	0.668	77%	0.77	S	S	*	*			trans	83.9	124.7	134.3	-78.7	27.1	0	0	0	124.9
941	E	32.3	Very low	33.7	Very low	156 Å²	156	141.7 Å²	141.7	73%	0.729	77%	0.765	S	S	*	*				88.4	97.8	124.6	-73	168.6	151	0	0	122.6
942	T	30.2	Very low	33.8	Very low	135 Å²	135	143.8 Å²	143.8	83%	0.828	76%	0.762	S	S	*	*				53.5	105.1	123.3	59	0	0	0	0	121.6
943	A	36.8	Very low	33.6	Very low	89 Å²	89	144.8 Å²	144.8	74%	0.736	77%	0.768	S	S	*	*				-149.5	131.2	129.3	0	0	0	0	0	106.3
944	E	31.8	Very low	33.7	Very low	178 Å²	178	146.7 Å²	146.7	83%	0.832	78%	0.776	S	S	*	*				48.1	130.4	77.7	-58.5	-157.8	161.9	0	0	112.6
945	H	38.2	Very low	33.9	Very low	133 Å²	133	150.2 Å²	150.2	62%	0.616	78%	0.777	S	S	*	*			cis	-170.5	161	36.9	-157.9	-10.2	0	0	0	111.4
946	K	38.7	Very low	34	Very low	152 Å²	152	146.6 Å²	146.6	66%	0.661	77%	0.768	S	S	*	*			trans	72.4	90.7	156.4	-82.5	144	178.8	148.1	0	120.2
947	D	33.2	Very low	34.3	Very low	138 Å²	138	143.4 Å²	143.4	74%	0.738	76%	0.756	S	S	*	*				25.7	136.1	100.4	-39.1	-60	0	0	0	120
948	V	40.1	Very low	34.2	Very low	145 Å²	145	144 Å²	144	88%	0.879	76%	0.757	S	S	*	*				-167.3	143.2	122.8	137.6	0	0	0	0	111.2
949	D	34	Very low	34.6	Very low	127 Å²	127	144.3 Å²	144.3	68%	0.679	76%	0.759	S	S	*	*			trans	-77.9	163.2	-167.8	-59.6	-95.2	0	0	0	117.8	Y951	D949-Y951 HydrophobicContact CB-CD2 3.88Å; D949-Y951 HydrophobicContact CB-CE2 3.72Å
950	G	37.9	Very low	34.5	Very low	79 Å²	79	143.3 Å²	143.3	81%	0.814	76%	0.764	S	S	*	*			trans	-145.7	42	-177.8	0	0	0	0	0	116.2
951	Y	32	Very low	34.6	Very low	186 Å²	186	140.9 Å²	140.9	73%	0.729	77%	0.768	S	S	*	*			trans	-27.9	141.9	170.1	-70.7	-95.2	0	0	0	115.8	D949	D949-Y951 HydrophobicContact CB-CD2 3.88Å; D949-Y951 HydrophobicContact CB-CE2 3.72Å
952	K	39	Very low	34.7	Very low	189 Å²	189	136.9 Å²	136.9	82%	0.822	76%	0.758	S	S	*	*				-166.1	146.5	58.2	-121.9	127.9	-175.7	175.8	0	114
953	N	28.4	Very low	34.9	Very low	161 Å²	161	135.1 Å²	135.1	86%	0.861	75%	0.751	S	S	*	*			trans	-94	134.5	159.9	-98.8	-41	0	0	0	110.9
954	T	37.6	Very low	34.6	Very low	128 Å²	128	133.6 Å²	133.6	79%	0.785	74%	0.744	S	S	*	*			trans	-150.7	110.4	148.4	43.9	0	0	0	0	108.5
955	K	32.8	Very low	34.7	Very low	184 Å²	184	129.1 Å²	129.1	80%	0.8	73%	0.733	S	S	*	*				79.5	96.6	63.9	-176	-173.9	179.3	179.5	0	112.6
956	K	34.2	Very low	34.4	Very low	166 Å²	166	127.2 Å²	127.2	72%	0.722	73%	0.73	S	S	*	*			trans	157.8	145.6	147.3	-91	-151.1	175.5	-129.4	0	109.7
957	E	34.4	Very low	34	Very low	138 Å²	138	122.8 Å²	122.8	65%	0.645	73%	0.728	S	S	*	*			cis	-160	161.3	-22.4	-135.8	158.3	-133.9	0	0	109.3	H959	E957-H959 PolarHBondContact O-N 3.47Å
958	T	35.3	Very low	34.1	Very low	130 Å²	130	120.5 Å²	120.5	80%	0.798	72%	0.723	S	S	*	*			trans	-81.9	107.8	-173.6	-54.2	0	0	0	0	113.2
959	H	35.8	Very low	33.7	Very low	191 Å²	191	119.4 Å²	119.4	88%	0.884	70%	0.703	S	S	*	*			trans	-159.1	144.1	149.1	-71.2	-60.4	0	0	0	107	E957	E957-H959 PolarHBondContact O-N 3.47Å
960	G	32.4	Very low	33.7	Very low	80 Å²	80	119.8 Å²	119.8	83%	0.825	71%	0.705	S	S	*	*			cis	118.7	84.9	15.4	0	0	0	0	0	109.7
961	G	32.7	Very low	33.4	Very low	73 Å²	73	127.3 Å²	127.3	75%	0.753	71%	0.709	S	S	*	*			trans	165.4	97.6	178.8	0	0	0	0	0	118.3
962	S	34.5	Very low	33.5	Very low	73 Å²	73	123.3 Å²	123.3	51%	0.51	71%	0.714	S	S	.	*			trans	26.5	116.4	139.1	-56.2	0	0	0	0	121.1	K509	K509-S962 VanDerWaalsContact CE-O 3.29Å; K509-S962 WeakPolarHBondContact CE-O 3.4Å; K509-S962 PolarHBondContact NZ-O 3.19Å
963	S	33.1	Very low	33.4	Very low	97 Å²	97	118.1 Å²	118.1	68%	0.678	72%	0.715	S	S	*	*				56.5	142.3	125.6	71.6	0	0	0	0	122.1	K509	K509-S963 WeakPolarHBondContact CE-O 3.39Å; K509-S963 PolarHBondContact NZ-O 2.8Å
964	G	31.7	Very low	33.6	Very low	58 Å²	58	122.9 Å²	122.9	60%	0.598	72%	0.72	S	S	*	*				110.1	106.5	110.4	0	0	0	0	0	118.5
965	S	32.6	Very low	33.7	Very low	84 Å²	84	120.7 Å²	120.7	59%	0.587	72%	0.723	S	S	*	*			trans	66.1	119.1	136	-140	0	0	0	0	121.1
966	T	32.6	Very low	33.9	Very low	92 Å²	92	123.8 Å²	123.8	56%	0.564	73%	0.73	S	S	*	*			trans	48.6	127.1	132.2	58.8	0	0	0	0	121.1	M506	M506-T966 PolarHBondContact SD-OG1 3.14Å
967	G	30.3	Very low	34.2	Very low	59 Å²	59	120.7 Å²	120.7	61%	0.608	73%	0.727	S	S	*	*				134.7	111.9	100.5	0	0	0	0	0	118.9
968	S	34.6	Very low	34.9	Very low	91 Å²	91	120 Å²	120	64%	0.636	73%	0.734	S	S	*	*			trans	70.3	127.7	132.6	-73.7	0	0	0	0	122.4
969	R	31.2	Very low	35.1	Very low	121 Å²	121	121.7 Å²	121.7	46%	0.457	73%	0.733	S	S	.	*				86.5	121.9	128.6	-76.4	169.5	176.4	-165.1	-3	119.9	S504 H505	S504-R969 VanDerWaalsContact CB-NH2 3.3Å; S504-R969 PolarHBondContact OG-NH1 2.6Å; H505-R969 PolarHBondContact CD2-NH1 3.05Å; H505-R969 VanDerWaalsContact NE2-CD 3.32Å; H505-R969 WeakPolarHBondContact NE2-CD 3.44Å; H505-R969 PolarHBondContact NE2-NH1 3.07Å
970	N	34.6	Very low	35.3	Very low	136 Å²	136	120.6 Å²	120.6	73%	0.727	73%	0.728	S	S	*	*			trans	73.3	159.8	137.8	-56.4	-14.5	0	0	0	116.2
971	R	32.3	Very low	35.7	Very low	236 Å²	236	122.1 Å²	122.1	89%	0.891	72%	0.722	S	S	*	*			cis	-145.9	170.4	-0.3	-143.4	171.2	-175.5	171.7	-0.1	111.1
972	A	34	Very low	36.1	Very low	103 Å²	103	124.4 Å²	124.4	85%	0.851	72%	0.717	S	S	*	*			trans	-31.2	137.8	172.9	0	0	0	0	0	117.7
973	G	36.4	Very low	36.5	Very low	80 Å²	80	129.1 Å²	129.1	83%	0.825	73%	0.73	S	S	*	*			trans	-147	123.4	169.3	0	0	0	0	0	111.2
974	R	33.1	Very low	36.8	Very low	260 Å²	260	129.2 Å²	129.2	98%	0.981	73%	0.731	S	S	*	*			trans	-77.1	144	-175.3	-55.6	159.9	-177.1	-120.7	3.5	110.9
975	G	39	Very low	37.2	Very low	82 Å²	82	131.7 Å²	131.7	85%	0.845	74%	0.735	S	S	*	*			trans	179.9	122.7	167.7	0	0	0	0	0	113.4
976	R	37	Very low	37.8	Very low	249 Å²	249	134.5 Å²	134.5	94%	0.94	74%	0.741	S	S	*	*			trans	-105.6	162.7	169.4	-120.5	-157.6	162.9	-151.1	-2.7	109.3
977	P	40.6	Very low	38.3	Very low	102 Å²	102	135.6 Å²	135.6	66%	0.662	74%	0.744	S	S	*	*			trans	-91.6	166.6	-163.8	38.1	-38.4	0	0	0	114.3
978	P	49.2	Very low	38.9	Very low	122 Å²	122	138 Å²	138	79%	0.792	74%	0.742	S	S	*	*			trans	-79.6	162	156.8	35	-33.2	0	0	0	112
979	Q	38.7	Very low	39.5	Very low	167 Å²	167	141.2 Å²	141.2	78%	0.78	75%	0.747	S	S	*	*			trans	-113.6	-157.2	168.5	-74	-159.8	-36.3	0	0	110.4
980	H	40.8	Very low	39.8	Very low	167 Å²	167	141.4 Å²	141.4	77%	0.773	76%	0.757	S	S	*	*			trans	83.7	131.5	174.9	-48.9	-78.7	0	0	0	113.6
981	T	41.6	Very low	40.1	Very low	113 Å²	113	141 Å²	141	69%	0.693	76%	0.759	S	S	*	*			cis	-160.9	167.6	3.7	-4.5	0	0	0	0	114.1
982	N	40.9	Very low	40.1	Very low	121 Å²	121	133 Å²	133	65%	0.647	75%	0.75	S	S	*	*			trans	91.5	101.2	151.7	-61	-9.9	0	0	0	122.1
983	H	41.4	Very low	40.2	Very low	171 Å²	171	132.3 Å²	132.3	79%	0.792	74%	0.74	S	S	*	*				61	138.1	123.8	-56.6	-52.4	0	0	0	121.7
984	S	40.3	Very low	40	Very low	99 Å²	99	137.5 Å²	137.5	69%	0.692	74%	0.742	S	S	*	*			cis	-166.1	168.4	-2	50.9	0	0	0	0	114.1
985	T	40.8	Very low	40.1	Very low	111 Å²	111	128.9 Å²	128.9	68%	0.681	73%	0.734	S	S	*	*			trans	95	99.7	146.3	-52.8	0	0	0	0	120.2
986	I	44.7	Very low	39.6	Very low	142 Å²	142	137.2 Å²	137.2	73%	0.728	74%	0.74	S	S	*	*			trans	61.6	131.1	130.8	-64.8	178.8	0	0	0	119
987	D	42.3	Very low	39.4	Very low	115 Å²	115	131.2 Å²	131.2	62%	0.615	74%	0.736	S	S	*	*			cis	-163.6	157.5	-8.6	-113.5	-6.8	0	0	0	112.3
988	N	42.8	Very low	39	Very low	109 Å²	109	138 Å²	138	58%	0.583	75%	0.749	S	S	*	*			trans	43.9	144.5	137.1	-57.6	-27.1	0	0	0	121.5
989	H	47.8	Very low	38.1	Very low	160 Å²	160	136.1 Å²	136.1	74%	0.741	75%	0.752	S	S	*	*			cis	-172.1	166.6	5.7	-109.9	-1.1	0	0	0	107
990	N	37	Very low	37.7	Very low	124 Å²	124	131.6 Å²	131.6	66%	0.663	75%	0.75	S	S	*	*			cis	-163.7	160.4	-7.4	-178.5	19.5	0	0	0	108.1
991	V	40.8	Very low	37.3	Very low	127 Å²	127	130.8 Å²	130.8	77%	0.77	75%	0.751	S	S	*	*			trans	49	140.8	168.7	-78.8	0	0	0	0	120
992	G	34	Very low	36.8	Very low	68 Å²	68	132.3 Å²	132.3	70%	0.701	76%	0.756	S	S	*	*			cis	96	154.1	4.8	0	0	0	0	0	114.2
993	S	34.4	Very low	36.2	Very low	90 Å²	90	133 Å²	133	63%	0.629	77%	0.768	S	S	*	*			cis	-164.4	160.5	-17.5	-150.6	0	0	0	0	111.6
994	H	33.5	Very low	35.6	Very low	188 Å²	188	130.1 Å²	130.1	87%	0.87	77%	0.767	S	S	*	*			trans	51.4	135.5	157.4	-53.3	-39.7	0	0	0	121.9
995	G	34.3	Very low	35.1	Very low	79 Å²	79	137.2 Å²	137.2	81%	0.814	78%	0.779	S	S	*	*			trans	-172.2	58.3	171.1	0	0	0	0	0	113.9
996	R	28.9	Very low	34.6	Very low	257 Å²	257	139.9 Å²	139.9	97%	0.97	79%	0.789	S	S	*	*			trans	-84.8	124.6	-179.7	-71.8	-176.4	174.9	-164.1	-0.2	112.1
997	S	33.4	Very low	33.8	Very low	124 Å²	124	138.1 Å²	138.1	87%	0.867	79%	0.789	S	S	*	*			trans	-150	171.9	146	-159.3	0	0	0	0	111.4
998	R	30.7	Very low	33.4	Very low	243 Å²	243	139.8 Å²	139.8	92%	0.917	80%	0.803	S	S	*	*			trans	-127.4	142.3	-168.1	-80.7	174.9	159.9	173.3	-7.8	112.9
999	G	30.9	Very low	33	Very low	84 Å²	84	141.5 Å²	141.5	87%	0.866	81%	0.808	S	S	*	*			trans	88.5	141.2	161.1	0	0	0	0	0	114.6
1000	G	31.5	Very low	32.3	Very low	72 Å²	72	139.4 Å²	139.4	74%	0.742	81%	0.808	S	S	*	*			cis	180	161.5	-7.3	0	0	0	0	0	113.5
1001	N	32.2	Very low	32.1	Very low	149 Å²	149	141 Å²	141	80%	0.797	81%	0.811	S	S	*	*			trans	-2.2	131.8	157.8	-61.4	20	0	0	0	116.7
1002	N	31	Very low	31.7	Very low	146 Å²	146	142 Å²	142	78%	0.781	81%	0.813	S	S	*	*			cis	-154	157.3	13.4	-82.7	-33.4	0	0	0	110.1
1003	C	27.7	Very low	31.9	Very low	134 Å²	134	144.9 Å²	144.9	91%	0.905	82%	0.816	S	S	*	*			trans	-159.3	149.5	138.8	-128.7	0	0	0	0	112.6
1004	S	29.1	Very low	31.8	Very low	112 Å²	112	149.1 Å²	149.1	78%	0.783	83%	0.826	S	S	*	*			trans	-77.2	143.3	-169.5	-46.6	0	0	0	0	114.3
1005	R	30.3	Very low	31.9	Very low	248 Å²	248	146 Å²	146	94%	0.936	82%	0.82	S	S	*	*				-163.9	156.4	128.1	-113.3	168.8	-177.2	172.1	0.4	113.2
1006	N	28.5	Very low	31.9	Very low	167 Å²	167	149.9 Å²	149.9	89%	0.893	82%	0.821	S	S	*	*			trans	-81	120.9	-179.2	-56.9	-18.6	0	0	0	110.2
1007	S	28.5	Very low	32	Very low	105 Å²	105	141.7 Å²	141.7	73%	0.734	80%	0.803	S	S	*	*			trans	-161.6	140.1	147.7	-166.8	0	0	0	0	109
1008	V	33.7	Very low	32	Very low	149 Å²	149	142.6 Å²	142.6	90%	0.903	80%	0.798	S	S	*	*			trans	-133.4	83.9	173.6	-177	0	0	0	0	108.1
1009	E	35.4	Very low	32.3	Very low	145 Å²	145	137.5 Å²	137.5	68%	0.678	79%	0.794	S	S	*	*			trans	-74.1	154.5	163.2	-86.9	-161.6	108.6	0	0	111.4	H1011	E1009-H1011 PolarHBondContact O-N 3.23Å
1010	P	31.9	Very low	32.3	Very low	116 Å²	116	143.5 Å²	143.5	75%	0.753	80%	0.796	S	S	*	*			trans	-82.6	113.5	178.2	32.3	-32.5	0	0	0	111.5
1011	H	34.5	Very low	32.5	Very low	157 Å²	157	146 Å²	146	73%	0.727	80%	0.796	S	S	*	*			trans	-112.5	89.3	173.6	-79.5	2.4	0	0	0	113.2	E1009	E1009-H1011 PolarHBondContact O-N 3.23Å
1012	N	32.3	Very low	32.7	Very low	149 Å²	149	144.3 Å²	144.3	80%	0.797	80%	0.796	S	S	*	*				35.4	99.6	123.6	-156.4	8.4	0	0	0	117	H1014	N1012-H1014 PolarHBondContact O-N 3.21Å
1013	V	36.5	Very low	32.7	Very low	129 Å²	129	145.9 Å²	145.9	78%	0.782	80%	0.799	S	S	*	*			trans	-78.7	104.1	173.1	-179.6	0	0	0	0	109.7	V1015	V1013-V1015 PolarHBondContact O-N 2.75Å; V1013-V1015 VanDerWaalsContact O-N 3.16Å
1014	H	32.6	Very low	33.2	Very low	178 Å²	178	147.7 Å²	147.7	82%	0.824	79%	0.794	S	S	*	*			trans	-68	109.1	177.3	-156.5	17.1	0	0	0	110.2	N1012	N1012-H1014 PolarHBondContact O-N 3.21Å
1015	V	36	Very low	33.4	Very low	123 Å²	123	149.4 Å²	149.4	75%	0.745	79%	0.79	S	S	*	*			trans	-84.7	117.8	174.9	178.7	0	0	0	0	108.7	V1013	V1013-V1015 PolarHBondContact O-N 2.75Å; V1013-V1015 VanDerWaalsContact O-N 3.16Å
1016	L	34.4	Very low	33.4	Very low	160 Å²	160	144.2 Å²	144.2	84%	0.838	79%	0.786	S	S	*	*			trans	-69	139	173.3	-152.7	75.9	0	0	0	110.1
1017	S	31.6	Very low	33.6	Very low	86 Å²	86	143.4 Å²	143.4	60%	0.601	78%	0.78	S	S	*	*			trans	-84.4	-175.5	-176.9	47.8	0	0	0	0	113.3
1018	D	32.8	Very low	33.7	Very low	142 Å²	142	144.1 Å²	144.1	76%	0.759	78%	0.78	S	S	*	*			trans	75.6	65.9	156.6	-49.9	-51.6	0	0	0	118.7
1019	V	36.5	Very low	33.8	Very low	136 Å²	136	142.1 Å²	142.1	82%	0.824	77%	0.77	S	S	*	*			trans	-121.7	107.5	138.3	-176.1	0	0	0	0	108.9	V1021	V1019-V1021 HydrophobicContact CG1-CG2 4.13Å; V1019-V1021 PolarHBondContact O-N 2.74Å
1020	K	31.9	Very low	33.6	Very low	211 Å²	211	141 Å²	141	92%	0.917	77%	0.773	S	S	*	*			trans	-85.8	106.4	-180	-177.4	179.3	-179.4	179.7	0	109.8
1021	V	35.3	Very low	33.7	Very low	123 Å²	123	142.4 Å²	142.4	75%	0.745	77%	0.773	S	S	*	*			trans	-114.1	130	169.6	-174.8	0	0	0	0	108	V1019	V1019-V1021 HydrophobicContact CG1-CG2 4.13Å; V1019-V1021 PolarHBondContact O-N 2.74Å
1022	S	37	Very low	33.6	Very low	114 Å²	114	141.3 Å²	141.3	80%	0.797	77%	0.768	S	S	*	*			trans	-74.9	143.5	-174.5	-159.3	0	0	0	0	111.9
1023	E	29.8	Very low	33.5	Very low	180 Å²	180	144 Å²	144	84%	0.841	77%	0.773	S	S	*	*			trans	-78.3	129.5	168.4	-61	-175.6	134.7	0	0	109.8
1024	H	38.4	Very low	33.4	Very low	172 Å²	172	146 Å²	146	80%	0.796	77%	0.774	S	S	*	*			trans	-159.9	162.2	155.9	-132	-94.3	0	0	0	111
1025	E	33.8	Very low	33.4	Very low	148 Å²	148	142 Å²	142	69%	0.692	77%	0.765	S	S	*	*			trans	62.7	85.5	168.1	-60.7	-70.7	92.1	0	0	116.5	L1027	E1025-L1027 PolarHBondContact O-N 2.75Å; E1025-L1027 VanDerWaalsContact O-N 3.13Å
1026	T	30.9	Very low	33	Very low	139 Å²	139	146.5 Å²	146.5	85%	0.853	77%	0.769	S	S	*	*			trans	-69.2	97.3	165.8	-57.5	0	0	0	0	110.6
1027	L	32.6	Very low	32.9	Very low	149 Å²	149	147.6 Å²	147.6	78%	0.78	77%	0.767	S	S	*	*			trans	-125.1	132.1	166.2	-73.4	177.4	0	0	0	111.8	E1025	E1025-L1027 PolarHBondContact O-N 2.75Å; E1025-L1027 VanDerWaalsContact O-N 3.13Å
1028	V	29.8	Very low	32.9	Very low	121 Å²	121	150.2 Å²	150.2	73%	0.733	77%	0.77	S	S	*	*			trans	-102	115.2	178.5	174.7	0	0	0	0	108.9	T1030	V1028-T1030 PolarHBondContact O-N 2.61Å
1029	P	36.3	Very low	33.1	Very low	106 Å²	106	149.8 Å²	149.8	69%	0.688	77%	0.768	S	S	*	*			trans	-76.3	103.7	168.1	-9.4	26.5	0	0	0	109.1	I1031	P1029-I1031 HydrophobicContact CB-CD1 4.49Å; P1029-I1031 HydrophobicContact CB-CG1 4.22Å; P1029-I1031 PolarHBondContact O-N 2.83Å
1030	T	29.7	Very low	32.8	Very low	121 Å²	121	150.6 Å²	150.6	74%	0.742	77%	0.767	S	S	*	*			trans	-69.4	109.1	163	-63.4	0	0	0	0	108	V1028	V1028-T1030 PolarHBondContact O-N 2.61Å
1031	I	35.8	Very low	33	Very low	146 Å²	146	146.3 Å²	146.3	75%	0.749	76%	0.759	S	S	*	*			trans	-106.9	73.5	175.3	-49.9	-178.5	0	0	0	109.5	P1029	P1029-I1031 HydrophobicContact CB-CD1 4.49Å; P1029-I1031 HydrophobicContact CB-CG1 4.22Å; P1029-I1031 PolarHBondContact O-N 2.83Å
1032	E	30.7	Very low	32.9	Very low	134 Å²	134	145.8 Å²	145.8	63%	0.626	76%	0.756	S	S	*	*	S	Bend	trans	-111.4	138.5	144.2	-72	-166.5	164.9	0	0	107.2
1033	K	32	Very low	32.6	Very low	205 Å²	205	146 Å²	146	89%	0.891	76%	0.758	S	S	*	*			trans	69.1	70.1	179.2	-52.3	178.2	-178.7	175.7	0	117.4
1034	E	33.8	Very low	32.8	Very low	173 Å²	173	145.2 Å²	145.2	81%	0.808	75%	0.754	S	S	*	*			trans	-141.9	151.9	139.3	-85.9	-164.1	128.5	0	0	108.1
1035	S	31.8	Very low	32.6	Very low	92 Å²	92	142.7 Å²	142.7	64%	0.643	75%	0.753	S	S	*	*			cis	-165.9	168.1	-26.8	50.6	0	0	0	0	105.7	F1037	S1035-F1037 PolarHBondContact O-N 2.87Å
1036	R	28.2	Very low	32.5	Very low	219 Å²	219	138.7 Å²	138.7	83%	0.826	75%	0.751	S	S	*	*			trans	-62.9	112.5	-178.7	-59.1	177.6	-170.4	172.2	2.1	110.1	E1038	R1036-E1038 VanDerWaalsContact C-N 3.26Å; R1036-E1038 HydrophobicContact CB-CG 4.23Å; R1036-E1038 PolarHBondContact O-N 3.35Å; R1036-E1038 VanDerWaalsContact O-N 3.16Å
1037	F	31.9	Very low	32.7	Very low	182 Å²	182	138.4 Å²	138.4	80%	0.798	75%	0.749	S	S	*	*			trans	-83.4	82.5	160	-128.1	-91.5	0	0	0	107.9	S1035 D1039	S1035-F1037 PolarHBondContact O-N 2.87Å; F1037-D1039 PolarHBondContact O-N 2.87Å; F1037-D1039 VanDerWaalsContact O-N 3.12Å
1038	E	32.6	Very low	32.8	Very low	142 Å²	142	139.3 Å²	139.3	66%	0.664	75%	0.749	S	S	*	*			trans	-66.5	98.2	162.9	-63.7	-71.2	148.4	0	0	107	R1036 N1040	R1036-E1038 VanDerWaalsContact C-N 3.26Å; R1036-E1038 HydrophobicContact CB-CG 4.23Å; R1036-E1038 PolarHBondContact O-N 3.35Å; R1036-E1038 VanDerWaalsContact O-N 3.16Å; E1038-N1040 PolarHBondContact O-N 3.27Å
1039	D	36.3	Very low	33.1	Very low	132 Å²	132	140.3 Å²	140.3	71%	0.706	75%	0.75	S	S	*	*			trans	-69.8	73.5	170	-86.6	-29.2	0	0	0	109.1	F1037 V1041	F1037-D1039 PolarHBondContact O-N 2.87Å; F1037-D1039 VanDerWaalsContact O-N 3.12Å; D1039-V1041 PolarHBondContact O-N 3.39Å
1040	N	29.3	Very low	33.1	Very low	153 Å²	153	145 Å²	145	82%	0.818	75%	0.754	S	S	*	*			trans	-74.1	74	178.4	-171.2	10.1	0	0	0	110.4	E1038	E1038-N1040 PolarHBondContact O-N 3.27Å
1041	V	37.1	Very low	33.6	Very low	122 Å²	122	146.1 Å²	146.1	74%	0.739	75%	0.754	S	S	*	*			trans	-117.5	88.2	174.3	-175.9	0	0	0	0	109.2	D1039	D1039-V1041 PolarHBondContact O-N 3.39Å
1042	T	33.4	Very low	33.4	Very low	111 Å²	111	145.4 Å²	145.4	68%	0.681	76%	0.756	S	S	*	*			trans	42.7	101.2	151.1	-42.6	0	0	0	0	117.2	E1044	T1042-E1044 PolarHBondContact O-N 3.3Å
1043	S	29.6	Very low	33.5	Very low	119 Å²	119	148.4 Å²	148.4	83%	0.832	78%	0.784	S	S	*	*			trans	-67.3	97.7	168.4	53.9	0	0	0	0	112.6
1044	E	35.1	Very low	33.5	Very low	163 Å²	163	145.6 Å²	145.6	76%	0.762	78%	0.778	S	S	*	*			trans	-77.8	124.9	163.6	-87.7	-76.9	128.9	0	0	110.7	T1042	T1042-E1044 PolarHBondContact O-N 3.3Å
1045	P	33	Very low	33.5	Very low	120 Å²	120	144.1 Å²	144.1	78%	0.779	78%	0.777	S	S	*	*			trans	-92.6	122.3	-179.9	33.9	-31.5	0	0	0	113
1046	G	32.4	Very low	33.6	Very low	63 Å²	63	147 Å²	147	65%	0.649	78%	0.784	S	S	*	*			trans	95.5	148.1	-177.1	0	0	0	0	0	112
1047	V	36.2	Very low	33.9	Very low	134 Å²	134	142.8 Å²	142.8	81%	0.812	78%	0.782	S	S	*	*			cis	-110.5	127.3	23.1	175.8	0	0	0	0	112.1	D1049	V1047-D1049 HydrophobicContact CG1-CB 4.36Å
1048	H	34.1	Very low	34.1	Very low	168 Å²	168	140.3 Å²	140.3	78%	0.778	78%	0.781	S	S	*	*			trans	-76.1	116.3	153.5	-102	23.8	0	0	0	108.1
1049	D	36.8	Very low	34.2	Very low	142 Å²	142	140.2 Å²	140.2	76%	0.759	79%	0.788	S	S	*	*			trans	-112.2	99.9	162.3	-156.5	0.4	0	0	0	108.4	V1047	V1047-D1049 HydrophobicContact CG1-CB 4.36Å
1050	R	35.3	Very low	34	Very low	204 Å²	204	140.8 Å²	140.8	77%	0.77	79%	0.794	S	S	*	*			trans	-82.6	116.7	176.1	-76.5	177.5	171.9	172.3	-3.9	108.2
1051	I	39.8	Very low	34.4	Very low	144 Å²	144	139.8 Å²	139.8	74%	0.738	79%	0.793	S	S	*	*			trans	-108.1	106	154.7	-60.4	-176.4	0	0	0	107.6
1052	V	32.6	Very low	34.1	Very low	132 Å²	132	141.3 Å²	141.3	80%	0.8	80%	0.797	S	S	*	*			trans	-98.2	105.1	171.7	174.3	0	0	0	0	107.7
1053	T	31.2	Very low	34.2	Very low	196 Å²	196	144.1 Å²	144.1	100%	1.202	81%	0.808	S	S	*	*			trans	-161	0	160.9	47.3	0	0	0	0	108.1

Retrieved 1,053 of 1,053 residues in 149.5 ms (Link to these results)

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