A0A087Y2I1_POEFO Loading...

Neurabin-1

AlphaFold DB , UniProt , Accession A0A087Y2I1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,109 aa.

						>A0A087Y2I1_POEFO|A0A087Y2I1
MLKTEASGERTSLRSASPHRNAYRAEFQALKRAFDQPRIDGDSKPKDLERVKQPRGRQYGAHVSRIKDMFMQMGSENTTSKARGRDESSPQKPVKPTNFINKTDGSVIKLQHSSSAERIGGAGAKFSETRKLFEQQSRDQSQSPVFPYGRDKRGSHEHLDDWRGARSNRGSTDSLDSLCSRTEASSPTVSQLSAVFENADQHNQGGSYRGVSRRALYSPDGSYRQGGDLSEDESRQSPVRGNYRNKTGDKFPASSSTEDFLSPSPGADTSEAKKESSQDKEIQDKTGEASRRHRQNLYNATTNGSQVNGSCEEEEKPSESLTLIEDQEVTKASKSTRSTVITNKNFEDVTHEPLPTTTLQTGESKDDVDALKQETSPEPPKNQIEEPEEEYTGNERVIFNADGDACYQGWGESCTDPDDDLYGDDEDIVYDPGSDVTEIPGLPEENKEDVPPKRKIRFSTSPITVFNTYSNEDYDRRNEEVDPVASSAEYELEKRVEKLELFPVELEKDEDGLGISIIGMGVGADAGLEKLGIFVKTVIEGGAAERDSRIKVNDQIVEVDGTSLVGVTQSFAASVLRNTSGVVRFVIGRERPGQQSEVATLIQQTLEQERRQRELLEQQYAHYDADDDEQTGEYATDDEETGSTAGGEKSIEVFDLPETEDILSPSELDATKLYQKFRELQIKHTVTEAEIQKLKTKLASVEKEKQRWEKEKSQLKASIEENKERMLKLESYWIEAQTLCHTVNEHLKEAQAQYQALEKKYNKAKKLIKDFQQKEVEFIQKEDVERRRLEEAEKAHLAEIQGLQVRIAALESELMQLMKQNGIQVNNNNSNSSERLSAQQHSPSGAAAQPREVDEGSSQTGCTGDGVSFQEGQISEARGSPARSCFGLVRGDSKDGSPRKTQHGSQSVGKLSLDEHRQAPDPGSTEPPGDGGVQKPKDKAPTAGDDLSASSSSSSVEISGLLSATRVSGVSHTPVLSSDESLDMIDDEILDEAQSLKQHHWQSRSITDWTSQQVARWLAGLNLEHHIPEFTAKNVDGEQLLQLDSAELKTLGVTSSQDRALIKKKIKDLKVLMEKARRNQEKVEKQREKIRKKELEQQQKDACKESSTE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.2	Very low	35.5	Very low	226 Å²	226	151.5 Å²	151.5	100%	1.113	82%	0.824	S	S	*	*				0	83.5	0	-62.2	158.8	74.4	0	0	105.5
2	L	36.8	Very low	35	Very low	164 Å²	164	149 Å²	149	86%	0.859	83%	0.826	S	S	*	*				60.5	123.7	54.2	-57.3	165.6	0	0	0	110.1
3	K	40.6	Very low	35	Very low	160 Å²	160	149.9 Å²	149.9	70%	0.696	83%	0.828	S	S	*	*			cis	-132.7	150.9	9.2	-70.5	177	144.9	-141.4	0	108.9	E5	K3-E5 IonicContact NZ-OE1 3.73Å; K3-E5 PolarHBondContact NZ-OE1 2.62Å
4	T	41.9	Very low	35.1	Very low	113 Å²	113	156.4 Å²	156.4	69%	0.693	83%	0.833	S	S	*	*				47.8	125.7	66.1	60.4	0	0	0	0	116.6
5	E	34.5	Very low	35.5	Very low	157 Å²	157	154.8 Å²	154.8	73%	0.734	84%	0.84	S	S	*	*				167.8	165.3	125.1	-86.5	153.7	-130.4	0	0	110.4	K3	K3-E5 IonicContact NZ-OE1 3.73Å; K3-E5 PolarHBondContact NZ-OE1 2.62Å
6	A	40.3	Very low	35.8	Very low	106 Å²	106	148.8 Å²	148.8	88%	0.876	82%	0.818	S	S	*	*			trans	-145.4	157.2	-173.3	0	0	0	0	0	111.6
7	S	30.7	Very low	36	Very low	129 Å²	129	144.4 Å²	144.4	90%	0.902	80%	0.8	S	S	*	*			trans	-165.6	147.4	174.8	-176.3	0	0	0	0	109.1
8	G	29	Very low	36.6	Very low	68 Å²	68	142.4 Å²	142.4	70%	0.701	80%	0.795	S	S	*	*			cis	159	124.1	-3	0	0	0	0	0	110.1
9	E	36.2	Very low	37.2	Very low	194 Å²	194	142.1 Å²	142.1	91%	0.907	79%	0.786	S	S	*	*			trans	-92.1	133.7	-176.5	-64.8	-177.8	115.5	0	0	112.2
10	R	35.3	Very low	37.9	Very low	236 Å²	236	144.7 Å²	144.7	89%	0.891	78%	0.783	S	S	*	*			trans	-141.2	100.4	159.5	-88.3	-170.9	163.1	-179.4	-7.4	108.5
11	T	33.3	Very low	38.4	Very low	113 Å²	113	142.4 Å²	142.4	69%	0.693	77%	0.771	S	S	*	*				62.2	111.8	87.4	62.4	0	0	0	0	114.5
12	S	29.1	Very low	39.6	Very low	122 Å²	122	134 Å²	134	85%	0.853	74%	0.737	S	S	*	*			trans	-126.6	108.9	156	-175.7	0	0	0	0	107.4
13	L	34.8	Very low	40	Very low	161 Å²	161	133.9 Å²	133.9	84%	0.843	73%	0.727	S	S	*	*			trans	-85.5	126.5	-175.4	-67.4	169.7	0	0	0	110.4
14	R	37.1	Very low	40.8	Very low	240 Å²	240	134.3 Å²	134.3	91%	0.906	72%	0.724	S	S	*	*			trans	-140.3	130.2	153.7	-76.4	-165	171.3	-125.9	-7.5	108.3	A16	R14-A16 PolarHBondContact O-N 2.55Å
15	S	41.1	Very low	41.3	Very low	133 Å²	133	131.8 Å²	131.8	93%	0.93	72%	0.715	S	S	*	*			trans	-59.6	125.7	-176.1	40.5	0	0	0	0	111.7
16	A	39.4	Very low	42.2	Very low	59 Å²	59	129.9 Å²	129.9	49%	0.488	71%	0.706	S	S	.	*			trans	-116.3	113.9	173	0	0	0	0	0	108.3	R14	R14-A16 PolarHBondContact O-N 2.55Å
17	S	40.4	Very low	42.6	Very low	74 Å²	74	132.5 Å²	132.5	52%	0.517	70%	0.698	S	S	.	*			trans	-49.7	132.3	-178.6	172.8	0	0	0	0	111.8	H19 R20	S17-H19 VanDerWaalsContact C-N 3.3Å; S17-H19 PolarHBondContact O-N 3.2Å; S17-H19 VanDerWaalsContact O-N 3.13Å; S17-R20 WeakPolarHBondContact O-CB 3.47Å; S17-R20 PolarHBondContact O-N 3.43Å
18	P	46.9	Very low	43.5	Very low	109 Å²	109	132.4 Å²	132.4	71%	0.708	68%	0.683	S	S	*	*	H	α-helix	trans	-50.5	-41.9	-171.3	-31.6	36.1	0	0	0	115.1	R20 N21	P18-R20 PolarHBondContact O-N 2.84Å; P18-R20 VanDerWaalsContact O-N 3.13Å; P18-N21 PolarHBondContact O-N 3.12Å; P18-N21 VanDerWaalsContact O-N 3.14Å
19	H	46.3	Very low	44.7	Very low	135 Å²	135	132 Å²	132	63%	0.625	67%	0.673	S	S	*	*	H	α-helix	trans	-57	-30.6	179.2	-72.9	-58.8	0	0	0	113.6	S17 N21 A22 Y23	S17-H19 VanDerWaalsContact C-N 3.3Å; S17-H19 PolarHBondContact O-N 3.2Å; S17-H19 VanDerWaalsContact O-N 3.13Å; H19-N21 VanDerWaalsContact C-N 3.29Å; H19-N21 PolarHBondContact O-N 3.06Å; H19-A22 PolarHBondContact O-N 3.05Å; H19-Y23 VanDerWaalsContact O-CD2 3.22Å; H19-Y23 WeakPolarHBondContact O-CD2 3.3Å
20	R	52	Low	45.2	Very low	194 Å²	194	128.4 Å²	128.4	73%	0.732	66%	0.659	S	S	*	*	H	α-helix	trans	-70	-25.4	-177.7	-173	170	173.7	150.5	-2.4	113.1	S17 P18	S17-R20 WeakPolarHBondContact O-CB 3.47Å; S17-R20 PolarHBondContact O-N 3.43Å; P18-R20 PolarHBondContact O-N 2.84Å; P18-R20 VanDerWaalsContact O-N 3.13Å
21	N	49.4	Very low	45.8	Very low	97 Å²	97	124 Å²	124	52%	0.519	65%	0.647	S	S	.	*	H	α-helix	trans	-84.4	-37.1	176.7	-80.9	-21	0	0	0	112.4	P18 H19 R24 A25	P18-N21 PolarHBondContact O-N 3.12Å; P18-N21 VanDerWaalsContact O-N 3.14Å; H19-N21 VanDerWaalsContact C-N 3.29Å; H19-N21 PolarHBondContact O-N 3.06Å; N21-R24 PolarHBondContact O-N 3.18Å; N21-A25 WeakPolarHBondContact O-CB 3.34Å; N21-A25 PolarHBondContact O-N 3.47Å
22	A	56.4	Low	46.4	Very low	50 Å²	50	127.7 Å²	127.7	41%	0.413	65%	0.648	S	S	.	*	H	α-helix	trans	-53.9	-58.5	177.5	0	0	0	0	0	111.8	H19 R24 A25 E26	H19-A22 PolarHBondContact O-N 3.05Å; A22-R24 VanDerWaalsContact C-N 3.28Å; A22-R24 PolarHBondContact O-N 2.94Å; A22-A25 PolarHBondContact O-N 3.36Å; A22-A25 VanDerWaalsContact O-N 3.13Å; A22-E26 PolarHBondContact O-N 3.3Å
23	Y	45.3	Very low	47.1	Very low	161 Å²	161	126 Å²	126	63%	0.631	64%	0.641	S	S	*	*	H	α-helix	trans	-63.5	-29.8	-179.8	-62.4	-60.1	0	0	0	113.6	H19 F27	H19-Y23 VanDerWaalsContact O-CD2 3.22Å; H19-Y23 WeakPolarHBondContact O-CD2 3.3Å; Y23-F27 VanDerWaalsContact O-CB 3.23Å; Y23-F27 WeakPolarHBondContact O-CB 3.45Å; Y23-F27 PolarHBondContact O-N 2.99Å; Y23-F27 VanDerWaalsContact O-N 3.08Å
24	R	57.8	Low	48	Very low	169 Å²	169	127.6 Å²	127.6	64%	0.638	64%	0.642	S	S	*	*	H	α-helix	trans	-71.5	-40.3	175	174.5	170.7	-83	-141.4	-3.6	111.7	N21 A22 Q28	N21-R24 PolarHBondContact O-N 3.18Å; A22-R24 VanDerWaalsContact C-N 3.28Å; A22-R24 PolarHBondContact O-N 2.94Å; R24-Q28 WeakPolarHBondContact O-CG 3.44Å; R24-Q28 PolarHBondContact O-N 3.41Å
25	A	51.7	Low	48.3	Very low	61 Å²	61	122.3 Å²	122.3	50%	0.504	63%	0.631	S	S	.	*	H	α-helix	trans	-66.3	-49.3	177.7	0	0	0	0	0	111	N21 A22 F27 Q28 A29	N21-A25 WeakPolarHBondContact O-CB 3.34Å; N21-A25 PolarHBondContact O-N 3.47Å; A22-A25 PolarHBondContact O-N 3.36Å; A22-A25 VanDerWaalsContact O-N 3.13Å; A25-F27 PolarHBondContact O-N 2.96Å; A25-Q28 PolarHBondContact O-N 3.34Å; A25-A29 WeakPolarHBondContact O-CB 3.49Å; A25-A29 PolarHBondContact O-N 3.07Å
26	E	53.3	Low	48.1	Very low	117 Å²	117	123.9 Å²	123.9	55%	0.547	62%	0.624	S	S	.	*	H	α-helix	trans	-60.4	-46.3	177.5	-69.6	-170.7	137.2	0	0	112.2	A22 Q28 A29 L30	A22-E26 PolarHBondContact O-N 3.3Å; E26-Q28 VanDerWaalsContact C-N 3.27Å; E26-Q28 PolarHBondContact O-N 3.27Å; E26-A29 WeakPolarHBondContact O-CB 3.46Å; E26-A29 PolarHBondContact O-N 3.07Å; E26-L30 WeakPolarHBondContact O-CD1 3.4Å; E26-L30 PolarHBondContact O-N 3.18Å
27	F	49.1	Very low	48	Very low	160 Å²	160	126.7 Å²	126.7	70%	0.702	64%	0.637	S	S	*	*	H	α-helix	trans	-67.4	-27.2	-178.6	-154.1	-90.6	0	0	0	112.9	Y23 A25 K31	Y23-F27 VanDerWaalsContact O-CB 3.23Å; Y23-F27 WeakPolarHBondContact O-CB 3.45Å; Y23-F27 PolarHBondContact O-N 2.99Å; Y23-F27 VanDerWaalsContact O-N 3.08Å; A25-F27 PolarHBondContact O-N 2.96Å; F27-K31 WeakPolarHBondContact O-CB 3.41Å; F27-K31 PolarHBondContact O-N 2.7Å
28	Q	50.1	Low	47.9	Very low	127 Å²	127	134.4 Å²	134.4	59%	0.593	66%	0.655	S	S	*	*	H	α-helix	trans	-77.1	-35.2	169.1	-73.8	-169.6	-12.6	0	0	112.7	R24 A25 E26 K31 R32	R24-Q28 WeakPolarHBondContact O-CG 3.44Å; R24-Q28 PolarHBondContact O-N 3.41Å; A25-Q28 PolarHBondContact O-N 3.34Å; E26-Q28 VanDerWaalsContact C-N 3.27Å; E26-Q28 PolarHBondContact O-N 3.27Å; Q28-K31 PolarHBondContact O-N 2.76Å; Q28-R32 WeakPolarHBondContact O-CG 3.49Å; Q28-R32 PolarHBondContact O-N 3.26Å
29	A	53.7	Low	47.3	Very low	59 Å²	59	136.8 Å²	136.8	49%	0.488	66%	0.66	S	S	.	*	H	α-helix	trans	-65.5	-49.1	175.6	0	0	0	0	0	111.9	A25 E26 K31 R32 A33	A25-A29 WeakPolarHBondContact O-CB 3.49Å; A25-A29 PolarHBondContact O-N 3.07Å; E26-A29 WeakPolarHBondContact O-CB 3.46Å; E26-A29 PolarHBondContact O-N 3.07Å; A29-K31 VanDerWaalsContact C-N 3.25Å; A29-K31 PolarHBondContact O-N 3.38Å; A29-R32 PolarHBondContact O-N 2.78Å; A29-R32 VanDerWaalsContact O-N 3.09Å; A29-A33 PolarHBondContact O-N 2.69Å
30	L	47.7	Very low	46.8	Very low	120 Å²	120	137.9 Å²	137.9	63%	0.628	67%	0.671	S	S	*	*	H	α-helix	trans	-58.3	-38.6	174.4	-88.8	79.6	0	0	0	111.6	E26 A33	E26-L30 WeakPolarHBondContact O-CD1 3.4Å; E26-L30 PolarHBondContact O-N 3.18Å; L30-A33 PolarHBondContact O-N 2.76Å
31	K	47	Very low	45.9	Very low	144 Å²	144	132.5 Å²	132.5	63%	0.626	68%	0.676	S	S	*	*	H	α-helix	trans	-71.3	-29	177	-170	160.4	-175	169.6	0	113.4	F27 Q28 A29	F27-K31 WeakPolarHBondContact O-CB 3.41Å; F27-K31 PolarHBondContact O-N 2.7Å; Q28-K31 PolarHBondContact O-N 2.76Å; A29-K31 VanDerWaalsContact C-N 3.25Å; A29-K31 PolarHBondContact O-N 3.38Å
32	R	45.5	Very low	45	Very low	190 Å²	190	135 Å²	135	72%	0.717	69%	0.689	S	S	*	*	H	α-helix	trans	-73.9	-32.5	171.2	-76.8	-71	-177.8	90.5	-1.1	112.7	Q28 A29 F34	Q28-R32 WeakPolarHBondContact O-CG 3.49Å; Q28-R32 PolarHBondContact O-N 3.26Å; A29-R32 PolarHBondContact O-N 2.78Å; A29-R32 VanDerWaalsContact O-N 3.09Å; R32-F34 PolarHBondContact O-N 3.21Å
33	A	44.9	Very low	43.9	Very low	86 Å²	86	138.2 Å²	138.2	71%	0.711	71%	0.709	S	S	*	*	H	α-helix	trans	-67.8	-17	-177.3	0	0	0	0	0	114.9	A29 L30	A29-A33 PolarHBondContact O-N 2.69Å; L30-A33 PolarHBondContact O-N 2.76Å
34	F	53.3	Low	43.3	Very low	195 Å²	195	139.6 Å²	139.6	86%	0.855	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	-9.5	-175.6	-121.6	-89	0	0	0	115	R32	R32-F34 PolarHBondContact O-N 3.21Å
35	D	42.1	Very low	42.8	Very low	128 Å²	128	136.6 Å²	136.6	68%	0.684	72%	0.72	S	S	*	*	S	Bend	trans	-120.5	19.8	-158.4	-117	-6.1	0	0	0	114.3
36	Q	38.8	Very low	41.8	Very low	166 Å²	166	142.5 Å²	142.5	78%	0.776	74%	0.735	S	S	*	*			trans	-122.8	132.3	178.4	-81.2	-174.4	-40	0	0	114
37	P	36	Very low	40.7	Very low	118 Å²	118	143.2 Å²	143.2	77%	0.766	74%	0.742	S	S	*	*			trans	-78.2	153.5	179.5	32.7	-35.4	0	0	0	112.6
38	R	38.8	Very low	40	Very low	236 Å²	236	142.7 Å²	142.7	89%	0.891	75%	0.746	S	S	*	*			trans	-66.9	139.6	174.5	-67	-78.8	-179.4	146.1	-2	111.1
39	I	34.9	Very low	39	Very low	160 Å²	160	145 Å²	145	82%	0.821	76%	0.757	S	S	*	*			trans	-128.4	128.7	162.4	-64.8	178.1	0	0	0	106.6
40	D	35.3	Very low	37.8	Very low	157 Å²	157	153.4 Å²	153.4	84%	0.84	78%	0.776	S	S	*	*			trans	-86.1	146.7	177.4	-63.2	-64.1	0	0	0	111.5
41	G	31.8	Very low	36.9	Very low	82 Å²	82	153.5 Å²	153.5	85%	0.845	78%	0.781	S	S	*	*			trans	-176.7	121.3	175.5	0	0	0	0	0	111.6
42	D	31.3	Very low	36.1	Very low	148 Å²	148	155.3 Å²	155.3	79%	0.791	79%	0.789	S	S	*	*			trans	-108.4	140	-176.2	-177	20.4	0	0	0	111.5
43	S	33.7	Very low	35.6	Very low	118 Å²	118	154.1 Å²	154.1	83%	0.825	79%	0.792	S	S	*	*			trans	-170.7	113.2	156.2	9.1	0	0	0	0	112.4
44	K	33	Very low	35.5	Very low	190 Å²	190	155.1 Å²	155.1	83%	0.826	79%	0.791	S	S	*	*			trans	-85.4	169.1	155.4	-78.8	178.8	179.9	175.1	0	108.9
45	P	46.6	Very low	34.5	Very low	106 Å²	106	156.7 Å²	156.7	69%	0.688	79%	0.791	S	S	*	*			cis	-154.5	170.3	32.1	44.2	-23.2	0	0	0	120.9
46	K	31.4	Very low	34.1	Very low	186 Å²	186	153.8 Å²	153.8	81%	0.809	79%	0.792	S	S	*	*			trans	69.1	145.6	142.2	-81.4	-177.9	171.7	-172.2	0	121
47	D	29.9	Very low	34.1	Very low	132 Å²	132	156 Å²	156	71%	0.706	79%	0.793	S	S	*	*			cis	-166.8	174.7	-17.9	-142.9	-28.7	0	0	0	112.3
48	L	34.3	Very low	34.3	Very low	149 Å²	149	158.2 Å²	158.2	78%	0.78	79%	0.793	S	S	*	*			trans	93.5	134.9	157.7	-69.4	169.9	0	0	0	123.5
49	E	28	Very low	34.4	Very low	175 Å²	175	156.6 Å²	156.6	82%	0.818	79%	0.788	S	S	*	*			trans	65.5	70.3	155.2	-58.4	-159.4	114.1	0	0	124.4
50	R	29.3	Very low	34.9	Very low	235 Å²	235	151.5 Å²	151.5	89%	0.887	78%	0.775	S	S	*	*				34.4	124.4	110.1	-175.6	-164.1	-76.8	-135.6	-2.2	119.8
51	V	28.1	Very low	35.4	Very low	123 Å²	123	147 Å²	147	75%	0.745	76%	0.76	S	S	*	*				-174.1	120.4	116.9	147.4	0	0	0	0	114.2
52	K	30.9	Very low	36.2	Very low	182 Å²	182	148.9 Å²	148.9	79%	0.791	75%	0.746	S	S	*	*			trans	44.1	121.9	148.4	-64.7	-174	176.8	-177	0	125.8
53	Q	35.2	Very low	37.4	Very low	165 Å²	165	147.2 Å²	147.2	77%	0.771	74%	0.741	S	S	*	*			trans	78.4	164.9	131.3	-58	-67.1	-2	0	0	118.9
54	P	42.8	Very low	38.4	Very low	106 Å²	106	145 Å²	145	69%	0.688	73%	0.725	S	S	*	*				-133.7	125.7	-82.2	33.1	-12.7	0	0	0	118.3
55	R	31.9	Very low	39.8	Very low	228 Å²	228	143 Å²	143	86%	0.86	71%	0.713	S	S	*	*			trans	32.5	118.6	132.2	-161.2	174.1	-166.1	134.7	3.9	120.9
56	G	33.2	Very low	40.9	Very low	68 Å²	68	142.8 Å²	142.8	70%	0.701	71%	0.705	S	S	*	*			trans	-73.1	176	168.9	0	0	0	0	0	116.8
57	R	40.4	Very low	42.1	Very low	212 Å²	212	140.7 Å²	140.7	80%	0.8	70%	0.696	S	S	*	*			trans	-72.8	152.3	-162.2	-59.4	-176.9	-180	-145.8	-2.2	115.4	Y59	R57-Y59 HydrophobicContact CB-CD2 4.27Å; R57-Y59 HydrophobicContact CB-CE2 4.16Å
58	Q	39.8	Very low	43.6	Very low	164 Å²	164	138.9 Å²	138.9	77%	0.766	69%	0.686	S	S	*	*			trans	-102.3	108.5	168.1	-65.4	-178.4	-73.2	0	0	111
59	Y	39.9	Very low	44.9	Very low	203 Å²	203	137.2 Å²	137.2	80%	0.796	68%	0.676	S	S	*	*			trans	-103.7	123.4	162.4	-79	-92.4	0	0	0	109.3	R57	R57-Y59 HydrophobicContact CB-CD2 4.27Å; R57-Y59 HydrophobicContact CB-CE2 4.16Å
60	G	46.3	Very low	46.3	Very low	52 Å²	52	137.1 Å²	137.1	54%	0.536	67%	0.673	S	S	.	*	S	Bend	trans	147.9	-32.5	179.4	0	0	0	0	0	114.9	H62	G60-H62 VanDerWaalsContact C-N 3.3Å; G60-H62 PolarHBondContact O-N 3.01Å
61	A	45.8	Very low	48.1	Very low	64 Å²	64	132.2 Å²	132.2	53%	0.529	66%	0.662	S	S	.	*	H	α-helix	trans	-69.8	-22.3	-176.3	0	0	0	0	0	114.6
62	H	48.3	Very low	49.2	Very low	121 Å²	121	133.5 Å²	133.5	56%	0.56	66%	0.66	S	S	*	*	H	α-helix	trans	-78.2	-35	-173.5	-129.9	72.7	0	0	0	113.3	G60 S64 R65 I66	G60-H62 VanDerWaalsContact C-N 3.3Å; G60-H62 PolarHBondContact O-N 3.01Å; H62-S64 PolarHBondContact O-N 2.92Å; H62-R65 PolarHBondContact O-N 2.74Å; H62-I66 WeakPolarHBondContact O-CG1 3.17Å; H62-I66 PolarHBondContact O-N 2.96Å
63	V	56.8	Low	50.2	Low	113 Å²	113	133 Å²	133	69%	0.685	66%	0.662	S	S	*	*	H	α-helix	trans	-64.9	-41.1	-178.6	-177.6	0	0	0	0	111.2	K67	V63-K67 WeakPolarHBondContact O-CB 3.49Å; V63-K67 PolarHBondContact O-N 3.3Å; V63-K67 VanDerWaalsContact O-N 3.1Å
64	S	55	Low	50.8	Low	70 Å²	70	128.4 Å²	128.4	49%	0.49	66%	0.659	S	S	.	*	H	α-helix	trans	-62.7	-46.7	173.6	-54.9	0	0	0	0	111.5	H62 I66 K67 D68	H62-S64 PolarHBondContact O-N 2.92Å; S64-I66 VanDerWaalsContact C-N 3.35Å; S64-I66 PolarHBondContact O-N 3.28Å; S64-K67 WeakPolarHBondContact O-CB 3.47Å; S64-K67 PolarHBondContact O-N 3.1Å; S64-K67 VanDerWaalsContact O-N 3.11Å; S64-D68 WeakPolarHBondContact O-CB 3.32Å; S64-D68 PolarHBondContact O-N 2.67Å
65	R	62.5	Low	50.5	Low	149 Å²	149	127.8 Å²	127.8	56%	0.562	66%	0.657	S	S	*	*	H	α-helix	trans	-59.5	-42.7	-179.6	-171.3	-176.3	-64.3	171.1	-2.1	112.6	H62 D68 M69	H62-R65 PolarHBondContact O-N 2.74Å; R65-D68 PolarHBondContact O-N 2.85Å; R65-M69 HydrophobicContact CG-SD 4.48Å; R65-M69 WeakPolarHBondContact O-CB 3.44Å; R65-M69 WeakPolarHBondContact O-CG 3.32Å; R65-M69 PolarHBondContact O-N 2.98Å
66	I	68.1	Low	50.6	Low	102 Å²	102	125.1 Å²	125.1	52%	0.523	65%	0.654	S	S	.	*	H	α-helix	trans	-64.5	-42.7	176.4	-67.1	165.4	0	0	0	110.6	H62 S64 M69 F70	H62-I66 WeakPolarHBondContact O-CG1 3.17Å; H62-I66 PolarHBondContact O-N 2.96Å; S64-I66 VanDerWaalsContact C-N 3.35Å; S64-I66 PolarHBondContact O-N 3.28Å; I66-M69 PolarHBondContact O-N 2.94Å; I66-F70 WeakPolarHBondContact O-CB 3.3Å; I66-F70 PolarHBondContact O-N 2.95Å
67	K	57.5	Low	50.6	Low	141 Å²	141	127.9 Å²	127.9	61%	0.613	65%	0.653	S	S	*	*	H	α-helix	trans	-63.8	-41.6	176.9	-175.1	177.1	179.9	178.4	0	112.5	V63 S64 F70 M71	V63-K67 WeakPolarHBondContact O-CB 3.49Å; V63-K67 PolarHBondContact O-N 3.3Å; V63-K67 VanDerWaalsContact O-N 3.1Å; S64-K67 WeakPolarHBondContact O-CB 3.47Å; S64-K67 PolarHBondContact O-N 3.1Å; S64-K67 VanDerWaalsContact O-N 3.11Å; K67-F70 PolarHBondContact O-N 3.41Å; K67-M71 PolarHBondContact O-N 3.32Å
68	D	60.9	Low	50.3	Low	94 Å²	94	123.7 Å²	123.7	50%	0.503	65%	0.652	S	S	.	*	H	α-helix	trans	-67.7	-43.5	178.3	-64.5	-28.4	0	0	0	110.7	S64 R65 F70 M71 Q72	S64-D68 WeakPolarHBondContact O-CB 3.32Å; S64-D68 PolarHBondContact O-N 2.67Å; R65-D68 PolarHBondContact O-N 2.85Å; D68-F70 PolarHBondContact O-N 2.94Å; D68-M71 PolarHBondContact O-N 2.9Å; D68-Q72 VanDerWaalsContact O-CB 3.29Å; D68-Q72 WeakPolarHBondContact O-CB 3.37Å; D68-Q72 PolarHBondContact O-N 3.31Å
69	M	62.8	Low	49.9	Very low	115 Å²	115	121.9 Å²	121.9	57%	0.567	65%	0.652	S	S	*	*	H	α-helix	trans	-58.1	-44.6	172.1	-76.7	177	65.3	0	0	112.3	R65 I66 M71 Q72 M73	R65-M69 HydrophobicContact CG-SD 4.48Å; R65-M69 WeakPolarHBondContact O-CB 3.44Å; R65-M69 WeakPolarHBondContact O-CG 3.32Å; R65-M69 PolarHBondContact O-N 2.98Å; I66-M69 PolarHBondContact O-N 2.94Å; M69-M71 VanDerWaalsContact C-N 3.34Å; M69-M71 PolarHBondContact O-N 3.46Å; M69-Q72 PolarHBondContact O-N 2.95Å; M69-Q72 VanDerWaalsContact O-N 3.16Å; M69-M73 VanDerWaalsContact O-CG 3.32Å; M69-M73 WeakPolarHBondContact O-CG 3.17Å; M69-M73 PolarHBondContact O-N 3.42Å
70	F	57.8	Low	49.5	Very low	173 Å²	173	118 Å²	118	76%	0.759	65%	0.654	S	S	*	*	H	α-helix	trans	-67.6	-34.5	179.7	-159.1	-89.7	0	0	0	112.3	I66 K67 D68	I66-F70 WeakPolarHBondContact O-CB 3.3Å; I66-F70 PolarHBondContact O-N 2.95Å; K67-F70 PolarHBondContact O-N 3.41Å; D68-F70 PolarHBondContact O-N 2.94Å
71	M	67	Low	48.9	Very low	132 Å²	132	125.5 Å²	125.5	65%	0.65	67%	0.672	S	S	*	*	H	α-helix	trans	-68.6	-34.7	170.3	-79.1	-179.9	49.6	0	0	112.7	K67 D68 M69 G74	K67-M71 PolarHBondContact O-N 3.32Å; D68-M71 PolarHBondContact O-N 2.9Å; M69-M71 VanDerWaalsContact C-N 3.34Å; M69-M71 PolarHBondContact O-N 3.46Å; M71-G74 PolarHBondContact O-N 2.82Å
72	Q	49.5	Very low	48.1	Very low	150 Å²	150	127.5 Å²	127.5	70%	0.701	69%	0.689	S	S	*	*	H	α-helix	trans	-77.6	-27.2	-176.2	-163.7	165.8	24.7	0	0	113.3	D68 M69 G74	D68-Q72 VanDerWaalsContact O-CB 3.29Å; D68-Q72 WeakPolarHBondContact O-CB 3.37Å; D68-Q72 PolarHBondContact O-N 3.31Å; M69-Q72 PolarHBondContact O-N 2.95Å; M69-Q72 VanDerWaalsContact O-N 3.16Å; Q72-G74 PolarHBondContact O-N 2.88Å
73	M	52.8	Low	47.2	Very low	171 Å²	171	133.9 Å²	133.9	84%	0.842	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-15.3	170.3	-69.7	-83.4	-76.9	0	0	113.3	M69 S75	M69-M73 VanDerWaalsContact O-CG 3.32Å; M69-M73 WeakPolarHBondContact O-CG 3.17Å; M69-M73 PolarHBondContact O-N 3.42Å; M73-S75 PolarHBondContact O-N 2.91Å
74	G	47	Very low	45.9	Very low	69 Å²	69	132.4 Å²	132.4	71%	0.711	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	6.4	-174.5	0	0	0	0	0	116.2	M71 Q72	M71-G74 PolarHBondContact O-N 2.82Å; Q72-G74 PolarHBondContact O-N 2.88Å
75	S	37.1	Very low	44.6	Very low	93 Å²	93	139.3 Å²	139.3	65%	0.65	73%	0.731	S	S	*	*			trans	-145.7	88	-174.9	64.8	0	0	0	0	114.4	M73	M73-S75 PolarHBondContact O-N 2.91Å
76	E	33.7	Very low	43	Very low	171 Å²	171	137.8 Å²	137.8	80%	0.799	73%	0.734	S	S	*	*			trans	-90	151.7	154.3	56.3	170	144.3	0	0	109.7
77	N	33.5	Very low	41	Very low	127 Å²	127	140.9 Å²	140.9	68%	0.679	75%	0.746	S	S	*	*			cis	-156.4	157.8	6.9	-123.5	-42.3	0	0	0	108.6
78	T	33.2	Very low	39.7	Very low	124 Å²	124	139.1 Å²	139.1	76%	0.761	75%	0.752	S	S	*	*			trans	153.4	111.5	137.5	45.6	0	0	0	0	117.8
79	T	31.9	Very low	38	Very low	125 Å²	125	140 Å²	140	77%	0.767	77%	0.765	S	S	*	*			trans	57.2	127.3	137.4	61.8	0	0	0	0	124.6
80	S	33.1	Very low	37.3	Very low	122 Å²	122	139.3 Å²	139.3	85%	0.853	77%	0.769	S	S	*	*				114.2	149.1	129.9	79.3	0	0	0	0	119.6
81	K	32.1	Very low	35.9	Very low	209 Å²	209	139.7 Å²	139.7	91%	0.909	77%	0.773	S	S	*	*			trans	-96.5	141.8	-170.2	-61.1	173.7	177.6	176.2	0	112.5
82	A	29.8	Very low	34.2	Very low	107 Å²	107	142.8 Å²	142.8	88%	0.884	78%	0.783	S	S	*	*			trans	-155.6	154.4	150.4	0	0	0	0	0	112.2
83	R	30.2	Very low	33.7	Very low	254 Å²	254	141.1 Å²	141.1	96%	0.958	79%	0.786	S	S	*	*			trans	-94.7	154.5	171.8	-61.7	168.8	169.8	166.4	-6.7	109.5
84	G	27.6	Very low	32.6	Very low	82 Å²	82	139.4 Å²	139.4	85%	0.845	78%	0.784	S	S	*	*			trans	177	50.2	174.6	0	0	0	0	0	120.7
85	R	28.3	Very low	32	Very low	216 Å²	216	145.4 Å²	145.4	82%	0.815	79%	0.791	S	S	*	*			trans	-16.3	135.9	160.3	-177.4	177.9	177.2	-144	-19.3	120.2
86	D	28.6	Very low	32.1	Very low	116 Å²	116	146.5 Å²	146.5	62%	0.62	80%	0.795	S	S	*	*			trans	69.5	148.9	150.3	-63.9	0.4	0	0	0	124.8
87	E	26.4	Very low	31.9	Very low	167 Å²	167	143.8 Å²	143.8	78%	0.78	79%	0.791	S	S	*	*			trans	80.9	120.5	150.5	-86	-63.1	100.8	0	0	124
88	S	29.8	Very low	31.7	Very low	105 Å²	105	144 Å²	144	73%	0.734	79%	0.792	S	S	*	*			trans	78.5	138.8	145.4	77.9	0	0	0	0	121.9
89	S	26.2	Very low	31.3	Very low	112 Å²	112	146.2 Å²	146.2	78%	0.783	79%	0.791	S	S	*	*			trans	-106.3	-179	162.6	-140.1	0	0	0	0	107.4
90	P	46.8	Very low	31.2	Very low	101 Å²	101	146.9 Å²	146.9	66%	0.656	79%	0.789	S	S	*	*			cis	-145	-163.1	10.3	28.5	-0.3	0	0	0	115.9
91	Q	30.2	Very low	30.9	Very low	180 Å²	180	146.6 Å²	146.6	84%	0.841	78%	0.778	S	S	*	*			trans	95.6	127.3	153.6	-53.1	-162.4	-13.2	0	0	120.2
92	K	30.6	Very low	30.9	Very low	198 Å²	198	144.9 Å²	144.9	86%	0.861	77%	0.77	S	S	*	*			trans	-80	163	158.7	-50.6	169.3	-179.3	171.4	0	107.8
93	P	38	Very low	31	Very low	115 Å²	115	145.2 Å²	145.2	75%	0.747	76%	0.761	S	S	*	*				-159.2	-177.6	87.8	44.4	-25.6	0	0	0	117.3
94	V	30.5	Very low	30.9	Very low	134 Å²	134	140.6 Å²	140.6	81%	0.812	76%	0.756	S	S	*	*			trans	73.9	138.4	156.2	170.3	0	0	0	0	119.8
95	K	33.8	Very low	30.9	Very low	196 Å²	196	140 Å²	140	85%	0.852	75%	0.749	S	S	*	*			trans	-109	158.1	164.7	-57.3	171.1	179.9	175.6	0	108.1
96	P	40.2	Very low	30.9	Very low	115 Å²	115	135 Å²	135	75%	0.747	75%	0.748	S	S	*	*				-149.5	148.2	110.6	35.7	-18.8	0	0	0	117.7
97	T	29.3	Very low	30.8	Very low	115 Å²	115	134.8 Å²	134.8	71%	0.706	75%	0.751	S	S	*	*			trans	0.5	150.6	146.5	64.6	0	0	0	0	123.4
98	N	28.6	Very low	31	Very low	132 Å²	132	134.7 Å²	134.7	71%	0.706	75%	0.754	S	S	*	*				109.5	130.3	129.7	-80.2	-22.5	0	0	0	122
99	F	25.9	Very low	31	Very low	169 Å²	169	137.2 Å²	137.2	74%	0.741	75%	0.751	S	S	*	*			trans	84.1	114.8	138.9	-85.2	-137.9	0	0	0	121.8
100	I	29.8	Very low	31.1	Very low	140 Å²	140	137.7 Å²	137.7	72%	0.718	74%	0.744	S	S	*	*				67	150	129.2	-91.4	139.3	0	0	0	119.6
101	N	27.3	Very low	30.1	Very low	116 Å²	116	140.8 Å²	140.8	62%	0.62	75%	0.75	S	S	*	*			cis	-179.7	149	-28	-152.3	-15.7	0	0	0	108.2
102	K	31.4	Very low	30.1	Very low	172 Å²	172	140 Å²	140	75%	0.748	75%	0.746	S	S	*	*			trans	64.8	167.7	165.2	-55.2	175.7	-174.5	179.5	0	115.7
103	T	30.7	Very low	29.9	Very low	114 Å²	114	136.2 Å²	136.2	70%	0.699	75%	0.745	S	S	*	*			cis	-158.6	171	-25	24.6	0	0	0	0	108
104	D	28.8	Very low	29.6	Very low	157 Å²	157	135.8 Å²	135.8	84%	0.84	75%	0.745	S	S	*	*			trans	65.5	156.4	178.1	-60	-49.3	0	0	0	114.4
105	G	27.7	Very low	29.5	Very low	69 Å²	69	134.4 Å²	134.4	71%	0.711	74%	0.741	S	S	*	*			cis	104.7	135.8	10.9	0	0	0	0	0	111
106	S	28.6	Very low	29.4	Very low	112 Å²	112	129.5 Å²	129.5	78%	0.783	74%	0.737	S	S	*	*			cis	-165.1	173.6	-5.3	-173	0	0	0	0	109.5
107	V	26.3	Very low	28.9	Very low	112 Å²	112	131.1 Å²	131.1	68%	0.679	73%	0.734	S	S	*	*			trans	65.9	124.1	165	-151.3	0	0	0	0	118.3
108	I	30.3	Very low	29.4	Very low	164 Å²	164	134.8 Å²	134.8	84%	0.841	74%	0.736	S	S	*	*				162	143.6	121.8	-85.7	163.8	0	0	0	110.1
109	K	30.7	Very low	29.5	Very low	158 Å²	158	135.9 Å²	135.9	69%	0.687	74%	0.74	S	S	*	*			cis	-177.5	155.5	-36.5	-144.2	-170.1	162.9	-177	0	107.2
110	L	28.1	Very low	29.6	Very low	122 Å²	122	131.4 Å²	131.4	64%	0.639	74%	0.742	S	S	*	*			trans	68.4	147.8	157	-66.3	166	0	0	0	116.8
111	Q	26.4	Very low	29.6	Very low	166 Å²	166	128.6 Å²	128.6	78%	0.776	75%	0.747	S	S	*	*			cis	-133.1	161.3	-2.5	-76.7	-151.8	-51	0	0	114.1
112	H	28.2	Very low	29.9	Very low	163 Å²	163	128.4 Å²	128.4	76%	0.755	76%	0.761	S	S	*	*			trans	-55.7	173.9	153.4	-38.9	-95.7	0	0	0	112
113	S	28.3	Very low	29.6	Very low	119 Å²	119	124.2 Å²	124.2	83%	0.832	77%	0.767	S	S	*	*			cis	-149.2	-170.9	11.4	-40.5	0	0	0	0	108.3
114	S	31.9	Very low	29.9	Very low	107 Å²	107	123.2 Å²	123.2	75%	0.748	77%	0.77	S	S	*	*			cis	-150.1	-167.7	-2.4	66.1	0	0	0	0	107.2
115	S	28.1	Very low	30.7	Very low	105 Å²	105	125.2 Å²	125.2	73%	0.734	77%	0.772	S	S	*	*			cis	-155.6	138.5	-5.1	23.5	0	0	0	0	107.6
116	A	30.2	Very low	30.7	Very low	93 Å²	93	132 Å²	132	77%	0.769	78%	0.782	S	S	*	*			trans	-87.5	-178.5	165.1	0	0	0	0	0	109.5
117	E	30.6	Very low	31.1	Very low	148 Å²	148	131 Å²	131	69%	0.692	78%	0.775	S	S	*	*				-170.5	170.8	53.1	-70.3	-169.9	148.9	0	0	108.7
118	R	40.3	Very low	31.4	Very low	193 Å²	193	134 Å²	134	73%	0.728	78%	0.781	S	S	*	*			cis	-156.4	174.4	1.7	-132.5	-177.4	-95	-146	-8.8	106.1
119	I	30.9	Very low	31.7	Very low	154 Å²	154	132.2 Å²	132.2	79%	0.79	78%	0.779	S	S	*	*			cis	-157.6	169.8	4.1	-165.7	166	0	0	0	108.1
120	G	28.1	Very low	32.1	Very low	76 Å²	76	136 Å²	136	78%	0.784	79%	0.788	S	S	*	*			trans	106.5	87.4	151.1	0	0	0	0	0	116.8
121	G	28.3	Very low	32.6	Very low	81 Å²	81	139.6 Å²	139.6	84%	0.835	80%	0.799	S	S	*	*			trans	-175.3	154	169.2	0	0	0	0	0	113.2
122	A	33.9	Very low	32.7	Very low	111 Å²	111	139.7 Å²	139.7	92%	0.917	80%	0.804	S	S	*	*			trans	-156.3	142.5	171	0	0	0	0	0	110.3
123	G	25.9	Very low	32.8	Very low	85 Å²	85	141.2 Å²	141.2	88%	0.876	81%	0.808	S	S	*	*			trans	107.5	98.6	173	0	0	0	0	0	114.6
124	A	37.2	Very low	33	Very low	92 Å²	92	144 Å²	144	76%	0.76	81%	0.808	S	S	*	*			trans	-150.9	116.5	171.2	0	0	0	0	0	112.2
125	K	45.5	Very low	32.8	Very low	200 Å²	200	147.4 Å²	147.4	87%	0.87	81%	0.812	S	S	*	*			trans	60	142.1	156.1	-54	-177.1	-179.5	-175.1	0	119.1
126	F	27.8	Very low	32.8	Very low	212 Å²	212	150.6 Å²	150.6	93%	0.93	82%	0.816	S	S	*	*				-155.7	160.5	117.2	-105.9	-69.8	0	0	0	110.4
127	S	36	Very low	32.7	Very low	90 Å²	90	150.9 Å²	150.9	63%	0.629	81%	0.812	S	S	*	*			trans	-124.1	175.9	178	50.6	0	0	0	0	109.9
128	E	33.3	Very low	33	Very low	174 Å²	174	155.9 Å²	155.9	81%	0.813	83%	0.825	S	S	*	*			trans	70.1	163.5	178	-53.1	-170.7	84.4	0	0	115
129	T	35.4	Very low	32.3	Very low	128 Å²	128	153 Å²	153	79%	0.785	82%	0.823	S	S	*	*			cis	-140	153.5	5.2	-26.2	0	0	0	0	111.2
130	R	40.4	Very low	32.2	Very low	237 Å²	237	152.1 Å²	152.1	89%	0.894	82%	0.816	S	S	*	*			trans	-127	90.8	174.1	-172.1	-167.1	-150.2	176.7	9.3	112.4
131	K	37	Very low	32.5	Very low	198 Å²	198	154.2 Å²	154.2	86%	0.861	82%	0.819	S	S	*	*			trans	177.4	174.6	153.2	-103.2	161	-176.9	-179.9	0	110.1
132	L	29.9	Very low	32.5	Very low	168 Å²	168	157.1 Å²	157.1	88%	0.88	81%	0.811	S	S	*	*			trans	73.7	67.8	175.7	-51.8	179.1	0	0	0	117
133	F	29.8	Very low	33	Very low	194 Å²	194	157.1 Å²	157.1	85%	0.851	80%	0.804	S	S	*	*				-151.7	117.8	105.7	-135.7	-92.5	0	0	0	110.9
134	E	31.6	Very low	33	Very low	177 Å²	177	157.2 Å²	157.2	83%	0.827	79%	0.789	S	S	*	*			trans	-112.7	152.2	167.8	-174.2	172.6	-174.4	0	0	107.5
135	Q	28.8	Very low	32.6	Very low	179 Å²	179	158.4 Å²	158.4	84%	0.836	79%	0.787	S	S	*	*			trans	65	85.4	167.2	-166.7	172.4	83.3	0	0	117
136	Q	26.8	Very low	32.4	Very low	173 Å²	173	157.5 Å²	157.5	81%	0.808	78%	0.783	S	S	*	*			trans	-133.8	127.3	130.8	-161.2	165.8	8.4	0	0	110.9
137	S	28.7	Very low	33.2	Very low	98 Å²	98	152.2 Å²	152.2	69%	0.685	77%	0.77	S	S	*	*			trans	40.2	97.3	168.9	53.8	0	0	0	0	118.3
138	R	38.1	Very low	32.7	Very low	254 Å²	254	159.6 Å²	159.6	96%	0.958	79%	0.786	S	S	*	*				-53.8	137.7	125	-85.7	175	159.7	152.8	-7	107.9
139	D	25.1	Very low	32.7	Very low	131 Å²	131	154.4 Å²	154.4	70%	0.701	78%	0.779	S	S	*	*			trans	-143.5	155.9	148.3	-149.5	-19.3	0	0	0	110.4
140	Q	27.8	Very low	32.5	Very low	137 Å²	137	159.4 Å²	159.4	64%	0.64	78%	0.784	S	S	*	*			trans	13.3	111.1	176.5	-80.4	150.8	80.8	0	0	119.4	Q142	Q140-Q142 PolarHBondContact O-N 3.01Å
141	S	35.4	Very low	32	Very low	119 Å²	119	153 Å²	153	83%	0.832	77%	0.767	S	S	*	*			trans	-42.8	105.7	133.3	51.8	0	0	0	0	111.6
142	Q	27.3	Very low	31.7	Very low	143 Å²	143	149.9 Å²	149.9	67%	0.668	75%	0.753	S	S	*	*			trans	-107.9	116.5	150.7	-84.7	-71.8	-15.2	0	0	107	Q140 P144	Q140-Q142 PolarHBondContact O-N 3.01Å; Q142-P144 VanDerWaalsContact C-CD 3.45Å; Q142-P144 HydrophobicContact CB-CG 4.43Å; Q142-P144 WeakPolarHBondContact O-CD 3.43Å
143	S	44.6	Very low	32	Very low	111 Å²	111	150.9 Å²	150.9	78%	0.776	75%	0.745	S	S	*	*			trans	-96.8	103.8	155.3	157.3	0	0	0	0	107.2
144	P	26.1	Very low	32.4	Very low	86 Å²	86	145.6 Å²	145.6	56%	0.558	75%	0.746	S	S	*	*			trans	-121.3	103.2	155.1	27.7	-8.6	0	0	0	109.3	Q142 F146	Q142-P144 VanDerWaalsContact C-CD 3.45Å; Q142-P144 HydrophobicContact CB-CG 4.43Å; Q142-P144 WeakPolarHBondContact O-CD 3.43Å; P144-F146 PolarHBondContact O-N 3.02Å
145	V	30.3	Very low	32.9	Very low	118 Å²	118	140.8 Å²	140.8	72%	0.715	73%	0.732	S	S	*	*				-10.7	108.5	118.6	171.9	0	0	0	0	111.8
146	F	41.2	Very low	33.1	Very low	180 Å²	180	139.8 Å²	139.8	79%	0.789	73%	0.727	S	S	*	*			trans	69.3	169.7	160.4	-69.3	-126.8	0	0	0	116.5	P144	P144-F146 PolarHBondContact O-N 3.02Å
147	P	44.5	Very low	33.4	Very low	102 Å²	102	138.5 Å²	138.5	66%	0.662	72%	0.721	S	S	*	*			cis	-131	155.1	-20.6	32.4	-15.2	0	0	0	115.2
148	Y	25.2	Very low	33.4	Very low	245 Å²	245	141 Å²	141	96%	0.961	72%	0.721	S	S	*	*			trans	-160.3	122.9	149.6	-87.7	-70.5	0	0	0	109.5
149	G	32.5	Very low	32.9	Very low	65 Å²	65	134.9 Å²	134.9	67%	0.67	71%	0.707	S	S	*	*			cis	130.5	108.8	-13.5	0	0	0	0	0	114.1
150	R	30.6	Very low	33.1	Very low	233 Å²	233	135.3 Å²	135.3	88%	0.879	71%	0.709	S	S	*	*			trans	-161.3	98	154.6	-112.7	176.6	-162.5	-107.6	2.2	113.9
151	D	29.9	Very low	32.9	Very low	102 Å²	102	134.6 Å²	134.6	55%	0.545	71%	0.71	S	S	.	*				60.8	114.8	120.2	-84.9	-35	0	0	0	122.8
152	K	31.6	Very low	32.4	Very low	132 Å²	132	137.1 Å²	137.1	57%	0.574	70%	0.701	S	S	*	*			trans	76.2	142.2	132.1	-59.7	160.2	-174.8	134.9	0	116.8
153	R	36.7	Very low	32.3	Very low	189 Å²	189	140.7 Å²	140.7	71%	0.713	71%	0.709	S	S	*	*	S	Bend	cis	-159.7	146.8	-4.5	-107.5	162.8	-171.5	-162.9	0.7	107.5	S155	R153-S155 WeakPolarHBondContact CA-OG 3.38Å
154	G	37	Very low	31.3	Very low	83 Å²	83	139.4 Å²	139.4	86%	0.856	71%	0.712	S	S	*	*	S	Bend	cis	-120.6	25.5	14.5	0	0	0	0	0	119.3
155	S	43.3	Very low	31.4	Very low	77 Å²	77	139.9 Å²	139.9	54%	0.538	72%	0.724	S	S	.	*			cis	-165.5	93.5	-17.6	23.1	0	0	0	0	103.4	R153	R153-S155 WeakPolarHBondContact CA-OG 3.38Å
156	H	31.7	Very low	31.4	Very low	157 Å²	157	145.5 Å²	145.5	73%	0.727	73%	0.732	S	S	*	*				84.4	131.6	52.8	-169.6	49	0	0	0	111.3
157	E	33.4	Very low	30.8	Very low	147 Å²	147	141.4 Å²	141.4	69%	0.687	73%	0.726	S	S	*	*			trans	69.9	121.2	174.9	-77.2	160.6	171.2	0	0	116.7
158	H	29.8	Very low	30.1	Very low	151 Å²	151	142.8 Å²	142.8	70%	0.699	73%	0.727	S	S	*	*				83.8	126.7	62.5	-155.2	-102.2	0	0	0	107.4
159	L	27.7	Very low	30.7	Very low	125 Å²	125	142.3 Å²	142.3	65%	0.654	72%	0.724	S	S	*	*				44.6	125.2	84.6	-90.4	98.8	0	0	0	111.3
160	D	29.1	Very low	30.3	Very low	140 Å²	140	142.6 Å²	142.6	75%	0.749	73%	0.727	S	S	*	*			cis	-162.8	-156.9	-3.3	-146.1	-41	0	0	0	108.9
161	D	23.8	Very low	30.4	Very low	121 Å²	121	136.9 Å²	136.9	65%	0.647	72%	0.723	S	S	*	*			trans	88.8	160.8	137.8	-154.5	5.2	0	0	0	118.5
162	W	24.7	Very low	30.4	Very low	172 Å²	172	138 Å²	138	65%	0.652	73%	0.734	S	S	*	*			trans	71.9	82.4	173.5	-56.3	78.7	0	0	0	120.1
163	R	24.9	Very low	30.3	Very low	219 Å²	219	139 Å²	139	83%	0.826	75%	0.746	S	S	*	*			trans	58.5	133.1	133.4	-58.2	-164	-70.5	-131	8.3	121.5
164	G	24.4	Very low	30	Very low	83 Å²	83	134.1 Å²	134.1	86%	0.856	74%	0.74	S	S	*	*			trans	176.3	117.9	157.4	0	0	0	0	0	113.2
165	A	27.3	Very low	29.6	Very low	97 Å²	97	138.8 Å²	138.8	80%	0.802	75%	0.745	S	S	*	*			trans	-98	143.1	-166.8	0	0	0	0	0	115.8
166	R	29	Very low	28.9	Very low	236 Å²	236	141.8 Å²	141.8	89%	0.891	76%	0.755	S	S	*	*			trans	47.4	113.4	138	-73.2	-179.6	158.5	-167.1	-5.5	121.5
167	S	29.6	Very low	29	Very low	93 Å²	93	137.7 Å²	137.7	65%	0.65	74%	0.744	S	S	*	*				74.1	151.1	106	-154.2	0	0	0	0	122.8
168	N	29.9	Very low	28.9	Very low	131 Å²	131	138 Å²	138	70%	0.701	75%	0.749	S	S	*	*			trans	64.3	167.7	154.9	-79	-16.5	0	0	0	117.9
169	R	37.1	Very low	28.8	Very low	235 Å²	235	136.4 Å²	136.4	89%	0.887	75%	0.753	S	S	*	*			cis	-167.2	167	-36	-111.4	177.5	179.1	-165.2	0.4	105.7
170	G	25.1	Very low	29	Very low	72 Å²	72	135.7 Å²	135.7	74%	0.742	76%	0.759	S	S	*	*			trans	123.3	124.6	172.4	0	0	0	0	0	112.3
171	S	32.9	Very low	29.1	Very low	113 Å²	113	139.4 Å²	139.4	79%	0.79	76%	0.762	S	S	*	*			cis	89.7	153.1	26.3	-156.9	0	0	0	0	115.3
172	T	29.8	Very low	29.4	Very low	125 Å²	125	138.7 Å²	138.7	77%	0.767	76%	0.763	S	S	*	*			trans	60.9	108.2	179.4	64.5	0	0	0	0	115.6
173	D	29.8	Very low	29.9	Very low	154 Å²	154	139.2 Å²	139.2	82%	0.824	77%	0.772	S	S	*	*				73.4	157.1	78.4	-173.5	42.5	0	0	0	114.8
174	S	29.1	Very low	30.2	Very low	85 Å²	85	133.8 Å²	133.8	59%	0.594	77%	0.774	S	S	*	*			trans	100.7	84.3	176.2	-58.3	0	0	0	0	117.7
175	L	29.7	Very low	30.6	Very low	182 Å²	182	135.5 Å²	135.5	95%	0.953	77%	0.773	S	S	*	*			trans	-130.4	103.8	142	-78.7	-177.7	0	0	0	109.9
176	D	27.8	Very low	30.7	Very low	140 Å²	140	136.4 Å²	136.4	75%	0.749	77%	0.774	S	S	*	*			trans	-145.7	158.1	172.6	172.3	44.2	0	0	0	108.9
177	S	33.1	Very low	31.1	Very low	71 Å²	71	129.8 Å²	129.8	50%	0.497	76%	0.762	S	S	.	*			trans	68	127.1	-173.6	-56.1	0	0	0	0	113.9
178	L	32.3	Very low	31.5	Very low	152 Å²	152	130.5 Å²	130.5	80%	0.796	76%	0.762	S	S	*	*			cis	-132.3	129.5	27	-69.1	163.4	0	0	0	113.5
179	C	28.4	Very low	31.9	Very low	118 Å²	118	129.8 Å²	129.8	80%	0.797	76%	0.762	S	S	*	*			trans	-140.9	146.9	141.9	-165.3	0	0	0	0	109.7
180	S	31.8	Very low	31.9	Very low	110 Å²	110	124.1 Å²	124.1	77%	0.769	76%	0.759	S	S	*	*			trans	-169.7	126.5	178.9	-80.4	0	0	0	0	106.4
181	R	30.5	Very low	32.5	Very low	218 Å²	218	128.3 Å²	128.3	82%	0.823	76%	0.759	S	S	*	*	S	Bend	cis	-133.1	176	15.6	-73.3	146.6	53.3	175.7	-4.4	110.8
182	T	30.8	Very low	32.6	Very low	107 Å²	107	129.1 Å²	129.1	66%	0.656	75%	0.753	S	S	*	*			trans	62.6	131.6	166.8	56.3	0	0	0	0	117.6
183	E	34.7	Very low	33	Very low	182 Å²	182	129 Å²	129	85%	0.85	76%	0.758	S	S	*	*			cis	-167.8	98.8	-19	-143.6	153.5	-134.8	0	0	109.6
184	A	31.1	Very low	33.5	Very low	105 Å²	105	125.5 Å²	125.5	87%	0.868	75%	0.75	S	S	*	*			trans	178.1	125.1	163.2	0	0	0	0	0	111
185	S	32.3	Very low	33.7	Very low	119 Å²	119	127.3 Å²	127.3	83%	0.832	76%	0.758	S	S	*	*			trans	-160	130.4	160.9	58.9	0	0	0	0	108.9
186	S	30.5	Very low	33.7	Very low	116 Å²	116	128.5 Å²	128.5	81%	0.811	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-60.5	146.7	-168.7	-46.6	0	0	0	0	114.1
187	P	37.1	Very low	34	Very low	98 Å²	98	130 Å²	130	64%	0.636	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-73.1	155.2	-179.7	31.3	-36	0	0	0	112.6
188	T	37.9	Very low	33.8	Very low	107 Å²	107	133.6 Å²	133.6	66%	0.656	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-98.9	154.4	168	47.2	0	0	0	0	111.5	S190	T188-S190 PolarHBondContact O-N 3.16Å
189	V	38.6	Very low	33.7	Very low	117 Å²	117	130.9 Å²	130.9	71%	0.709	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-8.5	-156	178.5	0	0	0	0	116
190	S	37	Very low	33.8	Very low	116 Å²	116	132.5 Å²	132.5	81%	0.811	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	21.1	-171.2	-52.8	0	0	0	0	115.9	T188	T188-S190 PolarHBondContact O-N 3.16Å
191	Q	37.4	Very low	33.7	Very low	160 Å²	160	136.7 Å²	136.7	75%	0.748	78%	0.779	S	S	*	*	S	Bend	trans	-127.1	-2.4	-178.5	-66.2	-170.4	-16.6	0	0	115.9	S193	Q191-S193 PolarHBondContact O-N 3.02Å
192	L	34.6	Very low	33.6	Very low	129 Å²	129	135.4 Å²	135.4	68%	0.675	78%	0.782	S	S	*	*			trans	-93.7	44	-173.6	-60.9	175.7	0	0	0	114.3
193	S	37.9	Very low	33.4	Very low	123 Å²	123	137.1 Å²	137.1	86%	0.86	79%	0.787	S	S	*	*	S	Bend	trans	-132.4	16.5	-177.5	-59.6	0	0	0	0	115	Q191	Q191-S193 PolarHBondContact O-N 3.02Å
194	A	40.7	Very low	33.2	Very low	80 Å²	80	136.7 Å²	136.7	66%	0.661	79%	0.785	S	S	*	*	S	Bend	trans	-152.8	146.4	168.8	0	0	0	0	0	109.7
195	V	33.8	Very low	33.1	Very low	124 Å²	124	135.9 Å²	135.9	75%	0.752	79%	0.787	S	S	*	*			trans	65.8	109	-167.6	-165.5	0	0	0	0	110.4
196	F	30.6	Very low	32.9	Very low	207 Å²	207	134.1 Å²	134.1	91%	0.908	79%	0.788	S	S	*	*			cis	-127.6	137.7	42.4	-65.4	-91.9	0	0	0	114.7
197	E	33.3	Very low	32.9	Very low	172 Å²	172	133.2 Å²	133.2	80%	0.804	78%	0.781	S	S	*	*			trans	-143.7	155.7	156.3	-170.2	178.8	-158	0	0	107.7
198	N	28.7	Very low	32.5	Very low	146 Å²	146	137.9 Å²	137.9	78%	0.781	79%	0.788	S	S	*	*			trans	81.7	99.9	176.7	-52.3	-84.2	0	0	0	117
199	A	31.2	Very low	32	Very low	94 Å²	94	143.5 Å²	143.5	78%	0.777	80%	0.797	S	S	*	*				-156.3	97.7	117.3	0	0	0	0	0	110.5
200	D	28.8	Very low	31.5	Very low	153 Å²	153	141.2 Å²	141.2	82%	0.818	80%	0.797	S	S	*	*				174.4	106.8	128.4	-98.2	-18.3	0	0	0	113
201	Q	30.5	Very low	31.1	Very low	198 Å²	198	143.2 Å²	143.2	93%	0.925	80%	0.803	S	S	*	*			trans	-164	144.9	137.4	-114.9	147.6	106.7	0	0	112.9
202	H	28.9	Very low	30.7	Very low	190 Å²	190	140.4 Å²	140.4	88%	0.88	80%	0.802	S	S	*	*			trans	-99.1	155.3	171.8	-120.2	36.2	0	0	0	110
203	N	26.9	Very low	30.4	Very low	144 Å²	144	144.4 Å²	144.4	77%	0.77	81%	0.808	S	S	*	*			trans	96	133.1	148.5	-132.3	-3.5	0	0	0	120.5
204	Q	30.8	Very low	30	Very low	172 Å²	172	149 Å²	149	80%	0.804	81%	0.806	S	S	*	*			trans	69.3	76.3	157.8	-49.5	-153.1	69.5	0	0	122.2
205	G	28.2	Very low	29.5	Very low	88 Å²	88	149.5 Å²	149.5	91%	0.907	81%	0.81	S	S	*	*				49.2	112.5	109.8	0	0	0	0	0	122
206	G	28.4	Very low	29.2	Very low	82 Å²	82	151.6 Å²	151.6	85%	0.845	82%	0.816	S	S	*	*			trans	-155	157.5	161.3	0	0	0	0	0	109.9
207	S	29.2	Very low	29	Very low	97 Å²	97	152.4 Å²	152.4	68%	0.678	82%	0.815	S	S	*	*			trans	-134.9	155.8	-163.4	-166.3	0	0	0	0	116.5
208	Y	29	Very low	28.7	Very low	197 Å²	197	149.3 Å²	149.3	77%	0.773	81%	0.812	S	S	*	*			trans	92.4	108	161.6	-63	-64.8	0	0	0	121.9
209	R	28.8	Very low	28.8	Very low	225 Å²	225	148.2 Å²	148.2	85%	0.849	81%	0.813	S	S	*	*				75.9	87.4	118.8	-164.3	-160.1	-65	-103.3	1.5	119.7
210	G	26.6	Very low	28.5	Very low	68 Å²	68	151.9 Å²	151.9	70%	0.701	82%	0.82	S	S	*	*				106.9	176.4	91.6	0	0	0	0	0	120.6
211	V	29.8	Very low	28.5	Very low	158 Å²	158	147.8 Å²	147.8	96%	0.958	81%	0.814	S	S	*	*			trans	81.6	144.2	179.6	-169.6	0	0	0	0	115.7
212	S	27.4	Very low	28.3	Very low	101 Å²	101	142.7 Å²	142.7	71%	0.706	80%	0.799	S	S	*	*			trans	-136.9	136.3	-172.8	168.6	0	0	0	0	110.2
213	R	29.8	Very low	28.3	Very low	213 Å²	213	143.1 Å²	143.1	80%	0.804	80%	0.795	S	S	*	*				171.3	135.7	122.7	-95.4	174.7	-172.2	-120.6	-1.6	114.5
214	R	29.7	Very low	28.3	Very low	221 Å²	221	146 Å²	146	83%	0.834	80%	0.795	S	S	*	*			trans	51.6	127	138.6	-79.3	-166.6	178.4	-167.5	-0.9	122.4
215	A	28.9	Very low	28.2	Very low	89 Å²	89	145.2 Å²	145.2	74%	0.736	79%	0.791	S	S	*	*				87.4	120.8	121.1	0	0	0	0	0	119.5
216	L	27.3	Very low	28.2	Very low	169 Å²	169	145 Å²	145	89%	0.885	79%	0.788	S	S	*	*			trans	-60.1	150.1	154.6	-57.7	167.6	0	0	0	110.2
217	Y	26.8	Very low	28.2	Very low	224 Å²	224	144.9 Å²	144.9	88%	0.878	79%	0.787	S	S	*	*			trans	-138.5	122.7	157	-128.1	-89.7	0	0	0	107.9
218	S	27.1	Very low	28	Very low	106 Å²	106	147.3 Å²	147.3	74%	0.741	79%	0.793	S	S	*	*			trans	-75.9	135.3	167.4	-58.3	0	0	0	0	108.6
219	P	30.4	Very low	28.1	Very low	124 Å²	124	144.9 Å²	144.9	81%	0.805	79%	0.792	S	S	*	*			trans	-82.7	131.5	171.9	32.6	-31	0	0	0	110.2
220	D	26.3	Very low	28	Very low	171 Å²	171	138.5 Å²	138.5	91%	0.914	78%	0.782	S	S	*	*				-159	157.3	121.8	-139.3	-29.2	0	0	0	111.2
221	G	27.6	Very low	28.1	Very low	67 Å²	67	144.2 Å²	144.2	69%	0.691	79%	0.791	S	S	*	*			trans	145.3	109.8	170.5	0	0	0	0	0	116.8
222	S	26.6	Very low	27.9	Very low	90 Å²	90	143.9 Å²	143.9	63%	0.629	78%	0.784	S	S	*	*			trans	-171.6	158	153.2	52.5	0	0	0	0	109
223	Y	27.9	Very low	28	Very low	199 Å²	199	146.1 Å²	146.1	78%	0.78	78%	0.783	S	S	*	*			cis	-121.9	-156	4	-62.4	-100.9	0	0	0	108.4
224	R	27.9	Very low	28	Very low	206 Å²	206	139.6 Å²	139.6	78%	0.777	77%	0.77	S	S	*	*			cis	-153.6	166.5	12.3	-80.1	-163	-170.3	-78.5	-5.8	108.7
225	Q	27.9	Very low	28	Very low	155 Å²	155	139.6 Å²	139.6	72%	0.724	77%	0.77	S	S	*	*			cis	-178.5	129.8	-24.7	176.3	174.4	-13	0	0	108.2
226	G	28.9	Very low	27.9	Very low	82 Å²	82	144.7 Å²	144.7	85%	0.845	78%	0.779	S	S	*	*			trans	103.3	148.9	-178.1	0	0	0	0	0	112.3
227	G	27.7	Very low	27.8	Very low	80 Å²	80	142 Å²	142	83%	0.825	77%	0.774	S	S	*	*			cis	169.7	150.4	1.6	0	0	0	0	0	105.9
228	D	26.3	Very low	28.3	Very low	148 Å²	148	137 Å²	137	79%	0.791	77%	0.769	S	S	*	*			cis	-159.7	177.2	28.2	-176.6	20.2	0	0	0	109.5
229	L	29.6	Very low	28.3	Very low	146 Å²	146	137.8 Å²	137.8	76%	0.764	77%	0.769	S	S	*	*			trans	71.8	142.1	170.2	-48.2	179.1	0	0	0	117.5
230	S	28	Very low	27.9	Very low	91 Å²	91	143.8 Å²	143.8	64%	0.636	78%	0.776	S	S	*	*			cis	-168.2	147.6	-14.5	51.6	0	0	0	0	111.1
231	E	28	Very low	27.8	Very low	188 Å²	188	139.2 Å²	139.2	88%	0.879	77%	0.769	S	S	*	*			trans	63.3	128.5	161	-62.6	169.9	178.8	0	0	118.3
232	D	25.9	Very low	27.7	Very low	152 Å²	152	142.6 Å²	142.6	81%	0.813	77%	0.771	S	S	*	*			cis	-150	-143.9	-24.3	-152.1	-3.4	0	0	0	107.1
233	E	28.7	Very low	27.4	Very low	148 Å²	148	148.6 Å²	148.6	69%	0.692	78%	0.781	S	S	*	*			cis	-153.1	-165.5	3.9	-145.8	-89.7	96.5	0	0	108.4	R235	E233-R235 PolarHBondContact O-N 2.74Å
234	S	29.6	Very low	27.1	Very low	76 Å²	76	149.8 Å²	149.8	53%	0.531	78%	0.784	S	S	.	*			trans	-50.2	119.9	-175.5	-72.1	0	0	0	0	115.7
235	R	29.6	Very low	27	Very low	220 Å²	220	146.7 Å²	146.7	83%	0.83	78%	0.783	S	S	*	*				67.4	110.6	74.2	-66.7	164.6	169.1	-113.6	-0.3	114.8	E233	E233-R235 PolarHBondContact O-N 2.74Å
236	Q	27.3	Very low	26.9	Very low	196 Å²	196	148.3 Å²	148.3	92%	0.916	79%	0.788	S	S	*	*				178.7	124.7	105.7	-95.2	177	27.4	0	0	112.5
237	S	26.6	Very low	26.8	Very low	112 Å²	112	150.9 Å²	150.9	78%	0.783	79%	0.788	S	S	*	*			trans	-98.2	160.2	155.6	-44.4	0	0	0	0	108.4
238	P	36.5	Very low	26.6	Very low	119 Å²	119	150.7 Å²	150.7	77%	0.773	79%	0.786	S	S	*	*				-154.9	143	90.8	37.6	-18.2	0	0	0	118.1
239	V	25.9	Very low	26.5	Very low	124 Å²	124	149.9 Å²	149.9	75%	0.752	78%	0.781	S	S	*	*				28	138	117.4	-178.2	0	0	0	0	121
240	R	24	Very low	26.3	Very low	250 Å²	250	150.8 Å²	150.8	94%	0.943	78%	0.779	S	S	*	*			trans	74.5	145.1	161.5	-85.9	174.8	179.8	-154.1	1.4	118.9
241	G	24.2	Very low	26.4	Very low	75 Å²	75	155.9 Å²	155.9	77%	0.773	79%	0.79	S	S	*	*			trans	168.5	68.6	167.2	0	0	0	0	0	116.3
242	N	23.7	Very low	27.1	Very low	137 Å²	137	152.6 Å²	152.6	73%	0.733	79%	0.785	S	S	*	*			trans	-78.1	147.4	177.2	-92.3	25.4	0	0	0	113.9
243	Y	21.8	Very low	27.3	Very low	216 Å²	216	149.3 Å²	149.3	85%	0.847	78%	0.779	S	S	*	*			trans	63.9	137.7	155.4	-63.4	-56.4	0	0	0	121.9
244	R	21.9	Very low	27.3	Very low	224 Å²	224	148 Å²	148	85%	0.845	79%	0.786	S	S	*	*				111.9	94.1	129.5	-142.3	175.6	-153.8	177.2	7.1	119.1
245	N	24.6	Very low	27.1	Very low	141 Å²	141	149.1 Å²	149.1	75%	0.754	79%	0.794	S	S	*	*			trans	24.4	123.6	132	-39.7	2.4	0	0	0	118.8
246	K	26.4	Very low	26.9	Very low	190 Å²	190	143.4 Å²	143.4	83%	0.826	79%	0.787	S	S	*	*				173.6	123.8	103.5	-97.2	180	178.8	-176.5	0	116.2
247	T	25.9	Very low	27.1	Very low	136 Å²	136	139.6 Å²	139.6	83%	0.834	78%	0.778	S	S	*	*			trans	44.9	127.2	136	61	0	0	0	0	123
248	G	24.1	Very low	27.2	Very low	76 Å²	76	141.6 Å²	141.6	78%	0.784	78%	0.775	S	S	*	*			trans	135.4	146.6	158.9	0	0	0	0	0	112.7
249	D	23.3	Very low	26.9	Very low	131 Å²	131	142.6 Å²	142.6	70%	0.701	77%	0.774	S	S	*	*			cis	-156.9	-172.8	-11.3	-159.3	6.5	0	0	0	110.6
250	K	26.8	Very low	26.9	Very low	165 Å²	165	145 Å²	145	72%	0.717	77%	0.774	S	S	*	*			trans	-43.5	162.7	-170.4	-58	139.4	-171.2	85	0	121.1
251	F	30.1	Very low	27	Very low	198 Å²	198	140.8 Å²	140.8	87%	0.868	77%	0.77	S	S	*	*			trans	-48.8	161.3	157.7	-63.4	-87.6	0	0	0	115
252	P	43.2	Very low	27	Very low	119 Å²	119	142.6 Å²	142.6	77%	0.773	77%	0.77	S	S	*	*				-124.2	143.4	94.1	0	21.9	0	0	0	113.5
253	A	29.1	Very low	27.7	Very low	82 Å²	82	141.9 Å²	141.9	68%	0.678	77%	0.773	S	S	*	*				68.5	119.1	77.3	0	0	0	0	0	114.4
254	S	28	Very low	28.1	Very low	122 Å²	122	136.7 Å²	136.7	85%	0.853	77%	0.769	S	S	*	*				176.1	168.7	78.8	-65.2	0	0	0	0	109.7
255	S	25.6	Very low	29.9	Very low	98 Å²	98	132 Å²	132	69%	0.685	77%	0.768	S	S	*	*			cis	-177.2	160.4	-19	170.9	0	0	0	0	109.8
256	S	26.4	Very low	30	Very low	100 Å²	100	129 Å²	129	70%	0.699	77%	0.77	S	S	*	*			trans	67.8	150.8	154.1	37.4	0	0	0	0	119.8
257	T	31.2	Very low	30	Very low	117 Å²	117	124 Å²	124	72%	0.718	76%	0.764	S	S	*	*			cis	-156.6	157.6	13	-6.1	0	0	0	0	111.6
258	E	29.5	Very low	30	Very low	153 Å²	153	124.7 Å²	124.7	72%	0.715	76%	0.763	S	S	*	*			trans	38.7	124.3	164.7	-37.7	-53	77.4	0	0	119.9
259	D	29.2	Very low	30.2	Very low	141 Å²	141	126.6 Å²	126.6	75%	0.754	76%	0.759	S	S	*	*			cis	87.6	130.3	20.8	-155.8	12.6	0	0	0	117.4
260	F	26.5	Very low	30.4	Very low	174 Å²	174	125.5 Å²	125.5	76%	0.763	76%	0.761	S	S	*	*			trans	161.6	115.4	149.6	-91.2	-57.8	0	0	0	114.5
261	L	24.7	Very low	30.6	Very low	162 Å²	162	124.6 Å²	124.6	85%	0.848	76%	0.76	S	S	*	*			trans	76.4	141.5	150.2	-53.7	-179.4	0	0	0	123
262	S	24.4	Very low	30.6	Very low	112 Å²	112	118.6 Å²	118.6	78%	0.783	75%	0.747	S	S	*	*			trans	-87.5	-171.4	162.4	-35	0	0	0	0	110.5
263	P	40.2	Very low	30.1	Very low	122 Å²	122	120.8 Å²	120.8	79%	0.792	74%	0.744	S	S	*	*			cis	-142.5	-160.5	5.9	40.7	-17.4	0	0	0	115.2
264	S	29.6	Very low	30.3	Very low	108 Å²	108	124.3 Å²	124.3	76%	0.755	74%	0.744	S	S	*	*			trans	-89.8	179	154.7	-39.2	0	0	0	0	110.3
265	P	59.9	Low	30.1	Very low	126 Å²	126	125 Å²	125	82%	0.818	73%	0.734	S	S	*	*			cis	-141.3	-171.6	2.7	44.6	-26	0	0	0	116.2
266	G	25.2	Very low	30.3	Very low	78 Å²	78	124.9 Å²	124.9	80%	0.804	73%	0.733	S	S	*	*			trans	88.9	163.3	157	0	0	0	0	0	117.3
267	A	27.7	Very low	30.8	Very low	85 Å²	85	124.6 Å²	124.6	70%	0.702	73%	0.731	S	S	*	*			cis	-166.3	162.1	-12.7	0	0	0	0	0	110.5
268	D	25.6	Very low	30.8	Very low	150 Å²	150	126.7 Å²	126.7	80%	0.802	73%	0.733	S	S	*	*			trans	60.9	155.2	152.1	-64.5	-21.3	0	0	0	120.2
269	T	27.4	Very low	31.1	Very low	116 Å²	116	124.5 Å²	124.5	71%	0.712	73%	0.726	S	S	*	*			cis	-160.8	165	-6.8	15.6	0	0	0	0	111.2
270	S	29.3	Very low	31.5	Very low	107 Å²	107	124.4 Å²	124.4	75%	0.748	72%	0.719	S	S	*	*			trans	71.3	151.7	148.7	78.5	0	0	0	0	118.8
271	E	29.5	Very low	31.9	Very low	147 Å²	147	123 Å²	123	69%	0.687	71%	0.714	S	S	*	*			cis	-158.5	153.3	-10.4	-132.4	-160.5	120.9	0	0	112.1	K273	E271-K273 IonicContact OE1-NZ 3.55Å; E271-K273 PolarHBondContact OE1-NZ 2.94Å
272	A	31.6	Very low	32.5	Very low	72 Å²	72	121.5 Å²	121.5	60%	0.595	71%	0.706	S	S	*	*			trans	59.3	151.7	138.7	0	0	0	0	0	121.5
273	K	31.7	Very low	33.1	Very low	164 Å²	164	122.7 Å²	122.7	71%	0.713	70%	0.699	S	S	*	*			cis	-165.2	166.6	-9.4	-97.9	153.2	-149	142.5	0	103	E271	E271-K273 IonicContact OE1-NZ 3.55Å; E271-K273 PolarHBondContact OE1-NZ 2.94Å
274	K	33	Very low	32.9	Very low	157 Å²	157	122.1 Å²	122.1	68%	0.683	69%	0.69	S	S	*	*			cis	-167.4	-171.8	19.6	-131.8	167.2	149.4	-136	0	104.9
275	E	24.4	Very low	33.2	Very low	137 Å²	137	123.9 Å²	123.9	64%	0.64	68%	0.684	S	S	*	*			cis	-159.4	-173.9	2.9	-150.4	151.6	176.1	0	0	111.1
276	S	30.4	Very low	31.8	Very low	94 Å²	94	124.3 Å²	124.3	66%	0.657	68%	0.684	S	S	*	*			trans	-4.7	150.7	152.7	60.8	0	0	0	0	121.8
277	S	35.7	Very low	31.8	Very low	95 Å²	95	124 Å²	124	66%	0.664	68%	0.681	S	S	*	*			cis	177.7	164.4	3.7	43.6	0	0	0	0	106.9
278	Q	32.5	Very low	31.6	Very low	161 Å²	161	129.9 Å²	129.9	75%	0.752	69%	0.694	S	S	*	*			cis	-166.9	-178.2	-3.3	-110	167.5	-107.1	0	0	104.6
279	D	35.5	Very low	31.7	Very low	107 Å²	107	127 Å²	127	57%	0.572	69%	0.69	S	S	*	*			cis	-169.1	177.2	6.7	-121.3	-7	0	0	0	108.1
280	K	37	Very low	31.5	Very low	139 Å²	139	126.7 Å²	126.7	60%	0.604	69%	0.693	S	S	*	*			cis	-149.3	-85.5	7.9	-143.7	167.7	-165	-56.7	0	119
281	E	35.3	Very low	31.5	Very low	143 Å²	143	131.3 Å²	131.3	67%	0.668	69%	0.694	S	S	*	*			trans	-169.5	163	-141.8	-102.4	154	-140	0	0	109.8
282	I	37.8	Very low	31.3	Very low	132 Å²	132	134.1 Å²	134.1	68%	0.677	70%	0.699	S	S	*	*			cis	-158.4	159.8	-4	-141.1	166	0	0	0	108.4
283	Q	36.3	Very low	30.9	Very low	137 Å²	137	138 Å²	138	64%	0.64	70%	0.704	S	S	*	*			cis	-123.5	-130.3	-6.4	-151	163.6	112.5	0	0	107.4	K285	Q283-K285 VanDerWaalsContact OE1-NZ 3.11Å
284	D	34.8	Very low	30.7	Very low	110 Å²	110	140.1 Å²	140.1	59%	0.588	71%	0.708	S	S	*	*			cis	-166	167.6	-11.5	-132	-12.3	0	0	0	108.7
285	K	36.2	Very low	30.3	Very low	144 Å²	144	141.2 Å²	141.2	63%	0.626	72%	0.715	S	S	*	*			cis	-146	-75.5	-5.9	-162.2	159.1	-142.3	70	0	116.6	Q283	Q283-K285 VanDerWaalsContact OE1-NZ 3.11Å
286	T	30.2	Very low	30.3	Very low	135 Å²	135	141 Å²	141	83%	0.828	72%	0.718	S	S	*	*			trans	-163.8	147.9	-163.5	44.6	0	0	0	0	112.1
287	G	26.2	Very low	30	Very low	71 Å²	71	142.3 Å²	142.3	73%	0.732	72%	0.717	S	S	*	*			cis	165.4	-166.3	-2.8	0	0	0	0	0	114.5
288	E	23.4	Very low	29.4	Very low	209 Å²	209	146.5 Å²	146.5	98%	0.977	72%	0.72	S	S	*	*			trans	77.9	158.3	170.7	-148.4	161	-130.3	0	0	119.5
289	A	26.6	Very low	29	Very low	89 Å²	89	145.7 Å²	145.7	74%	0.736	72%	0.721	S	S	*	*			trans	-159.8	142.6	-163	0	0	0	0	0	116.7
290	S	25	Very low	28.5	Very low	110 Å²	110	144.4 Å²	144.4	77%	0.769	73%	0.725	S	S	*	*			trans	178	159	162.9	-93.3	0	0	0	0	112
291	R	27.4	Very low	27.8	Very low	204 Å²	204	143.6 Å²	143.6	77%	0.77	73%	0.732	S	S	*	*			cis	-176.7	137.4	-27	-122.7	176.5	167.8	-176.4	-2.2	110.2
292	R	26.7	Very low	27.3	Very low	207 Å²	207	142.2 Å²	142.2	78%	0.781	73%	0.734	S	S	*	*			trans	79.3	143.9	152.8	-64.6	-172.3	-80.2	-164.1	-5.1	122.7
293	H	23.3	Very low	26.8	Very low	153 Å²	153	143.3 Å²	143.3	71%	0.708	74%	0.741	S	S	*	*			trans	68.2	135.1	159	-89.4	56	0	0	0	118.9
294	R	26.8	Very low	26.3	Very low	208 Å²	208	140 Å²	140	79%	0.785	74%	0.744	S	S	*	*			cis	94.6	80.7	14	-162.8	-155.4	-160.6	-160.1	7.2	117.1
295	Q	25.3	Very low	26	Very low	180 Å²	180	140.9 Å²	140.9	84%	0.841	76%	0.758	S	S	*	*			trans	-171.7	139.4	142	-100.5	151.1	-13.9	0	0	106.5
296	N	24	Very low	25.5	Very low	132 Å²	132	142.5 Å²	142.5	71%	0.706	77%	0.768	S	S	*	*				67.1	104.3	51	-86.3	27	0	0	0	115.2
297	L	24	Very low	25.4	Very low	122 Å²	122	142.3 Å²	142.3	64%	0.639	77%	0.766	S	S	*	*				44.4	152.6	122	-76.8	154.7	0	0	0	121.5
298	Y	23.2	Very low	25.3	Very low	184 Å²	184	146.6 Å²	146.6	72%	0.722	77%	0.773	S	S	*	*			trans	74.3	152.5	166.8	-44.7	-60.2	0	0	0	115
299	N	23.4	Very low	25.4	Very low	143 Å²	143	140.2 Å²	140.2	77%	0.765	76%	0.763	S	S	*	*			cis	-157.6	177	-19.6	-98.8	-12	0	0	0	104.9
300	A	25.7	Very low	25.2	Very low	80 Å²	80	141.7 Å²	141.7	66%	0.661	77%	0.768	S	S	*	*			cis	-158.6	151.4	33.6	0	0	0	0	0	108.7
301	T	22.2	Very low	25	Very low	123 Å²	123	141.5 Å²	141.5	76%	0.755	77%	0.765	S	S	*	*				42.8	129.2	82.5	17.2	0	0	0	0	114.7
302	T	25.3	Very low	24.9	Very low	114 Å²	114	139.7 Å²	139.7	70%	0.699	77%	0.765	S	S	*	*			cis	-136.5	172.6	8.3	60.4	0	0	0	0	109
303	N	26.6	Very low	24.9	Very low	154 Å²	154	138.3 Å²	138.3	82%	0.824	77%	0.768	S	S	*	*			cis	-140.4	177.9	12	-94.6	-53.3	0	0	0	108.9
304	G	25.9	Very low	24.9	Very low	69 Å²	69	139.4 Å²	139.4	71%	0.711	77%	0.773	S	S	*	*			cis	133.8	93.7	-3.9	0	0	0	0	0	113.8
305	S	28.6	Very low	24.7	Very low	127 Å²	127	137.6 Å²	137.6	89%	0.888	77%	0.774	S	S	*	*			trans	-161.6	172.2	154.6	-158.8	0	0	0	0	111.6
306	Q	26.7	Very low	24.8	Very low	179 Å²	179	137.9 Å²	137.9	84%	0.836	77%	0.772	S	S	*	*			trans	-100.4	163	-174.8	-68.9	178	-31.5	0	0	111.2
307	V	26.6	Very low	25.4	Very low	130 Å²	130	137 Å²	137	79%	0.788	77%	0.774	S	S	*	*			cis	-160.5	159.7	-8.1	123.4	0	0	0	0	108.8
308	N	25.6	Very low	25.5	Very low	162 Å²	162	136.7 Å²	136.7	87%	0.866	78%	0.782	S	S	*	*			trans	-71.3	154.3	178	-65.1	-3.8	0	0	0	114.6
309	G	25.2	Very low	25.5	Very low	75 Å²	75	137.2 Å²	137.2	77%	0.773	79%	0.791	S	S	*	*			trans	174.8	91.5	160	0	0	0	0	0	119.3
310	S	21.7	Very low	25.5	Very low	120 Å²	120	134.8 Å²	134.8	84%	0.839	79%	0.785	S	S	*	*			trans	74.6	105.8	142.3	-159	0	0	0	0	122.6
311	C	21.3	Very low	25.4	Very low	106 Å²	106	138.8 Å²	138.8	72%	0.716	79%	0.794	S	S	*	*				58.7	142.1	124.1	-106.1	0	0	0	0	125.5
312	E	24.3	Very low	25.5	Very low	165 Å²	165	137.6 Å²	137.6	77%	0.771	79%	0.787	S	S	*	*			trans	71.3	141.1	156.9	-49.7	-64.6	89.2	0	0	120.7
313	E	27.2	Very low	25.3	Very low	179 Å²	179	138.9 Å²	138.9	84%	0.836	79%	0.789	S	S	*	*			trans	22.2	139.5	163.4	-55.8	-168.7	127.3	0	0	122.7
314	E	23.7	Very low	25.2	Very low	175 Å²	175	137.7 Å²	137.7	82%	0.818	78%	0.781	S	S	*	*			trans	-167.9	169.7	132.2	-104	-53.3	157.5	0	0	111.3
315	E	23.1	Very low	25	Very low	170 Å²	170	142.5 Å²	142.5	79%	0.794	79%	0.785	S	S	*	*			trans	-82.3	175.1	-161.7	-70.4	-157.8	99.1	0	0	118.8
316	K	26.3	Very low	24.8	Very low	187 Å²	187	142.9 Å²	142.9	81%	0.813	78%	0.777	S	S	*	*			trans	-44.4	171.9	148.7	-73.5	175.8	-179.3	172.1	0	113.1
317	P	37.3	Very low	24.8	Very low	114 Å²	114	143.5 Å²	143.5	74%	0.74	78%	0.78	S	S	*	*			cis	-137	174.3	17.2	29.6	-5.2	0	0	0	118
318	S	25.9	Very low	24.6	Very low	114 Å²	114	145 Å²	145	80%	0.797	78%	0.778	S	S	*	*			trans	19.2	132.8	145.2	-49.9	0	0	0	0	121.5
319	E	23.5	Very low	24.6	Very low	196 Å²	196	142.2 Å²	142.2	92%	0.916	77%	0.767	S	S	*	*				-158	164.5	108.6	-122.7	-178.5	-149.3	0	0	115.3
320	S	23.1	Very low	24.5	Very low	92 Å²	92	144.4 Å²	144.4	64%	0.643	77%	0.766	S	S	*	*			trans	-40.2	142.4	177.8	179.5	0	0	0	0	118.4
321	L	24.4	Very low	24.8	Very low	164 Å²	164	148 Å²	148	86%	0.859	77%	0.766	S	S	*	*				-165.3	177.9	127.5	-108.3	163.8	0	0	0	112.9
322	T	22.6	Very low	25	Very low	97 Å²	97	147.3 Å²	147.3	60%	0.595	77%	0.768	S	S	*	*			trans	-135.4	173.4	-146.1	59.2	0	0	0	0	116
323	L	21.6	Very low	25.3	Very low	142 Å²	142	145 Å²	145	74%	0.743	77%	0.77	S	S	*	*			trans	85.2	109.4	151.4	-69.2	160.7	0	0	0	120.6
324	I	23.9	Very low	25.3	Very low	128 Å²	128	146.2 Å²	146.2	66%	0.656	77%	0.773	S	S	*	*				73.5	148.4	119.7	-77.6	-176	0	0	0	121.8
325	E	23	Very low	25.3	Very low	171 Å²	171	142.8 Å²	142.8	80%	0.799	77%	0.768	S	S	*	*			trans	67.6	143.5	166.9	-83.7	147.7	-153.5	0	0	117
326	D	24.5	Very low	25.5	Very low	135 Å²	135	141.6 Å²	141.6	72%	0.722	77%	0.773	S	S	*	*			cis	-151.9	163.8	4.1	-147.4	-19.9	0	0	0	112.2
327	Q	26.3	Very low	25.4	Very low	191 Å²	191	143.5 Å²	143.5	89%	0.893	78%	0.775	S	S	*	*			trans	-145.5	84.5	168.6	-170	178.2	107.7	0	0	112.6
328	E	22.6	Very low	24.8	Very low	161 Å²	161	142.5 Å²	142.5	75%	0.752	77%	0.771	S	S	*	*			trans	-119.7	122.7	172	-95.1	-117.5	123.4	0	0	113.9
329	V	25	Very low	24.9	Very low	104 Å²	104	142.5 Å²	142.5	63%	0.63	77%	0.766	S	S	*	*			trans	67.2	123.9	133.5	-179.3	0	0	0	0	120.3
330	T	23.9	Very low	25	Very low	121 Å²	121	139.2 Å²	139.2	74%	0.742	76%	0.759	S	S	*	*				171.4	143.7	123.8	36.2	0	0	0	0	108.7
331	K	28.4	Very low	25.1	Very low	197 Å²	197	142.2 Å²	142.2	86%	0.857	77%	0.766	S	S	*	*			cis	-141.5	164.4	18.3	-63.2	179.5	179.7	157.1	0	113.1
332	A	24.3	Very low	25.2	Very low	91 Å²	91	139.7 Å²	139.7	75%	0.752	76%	0.758	S	S	*	*			trans	-59.5	166.2	179.3	0	0	0	0	0	115.3
333	S	30.5	Very low	25.2	Very low	117 Å²	117	141.9 Å²	141.9	82%	0.818	77%	0.766	S	S	*	*				-163.9	159.2	71.1	-67.2	0	0	0	0	116.4
334	K	27.9	Very low	25.8	Very low	204 Å²	204	144.2 Å²	144.2	89%	0.887	77%	0.77	S	S	*	*			trans	-77.5	175.2	174.5	-57.1	173.8	-179.8	173.3	0	110.1
335	S	23.2	Very low	25.8	Very low	103 Å²	103	144.6 Å²	144.6	72%	0.72	77%	0.773	S	S	*	*			cis	-175.2	142.4	32.8	-178.7	0	0	0	0	113.1
336	T	26.4	Very low	25.9	Very low	145 Å²	145	143.8 Å²	143.8	89%	0.89	77%	0.767	S	S	*	*			trans	-155	100	141.5	7.1	0	0	0	0	114.1
337	R	24.9	Very low	26.1	Very low	226 Å²	226	144.9 Å²	144.9	85%	0.853	77%	0.768	S	S	*	*			trans	47.9	125.6	135.9	-166.1	171.7	-176.1	159.9	0.9	121.1
338	S	24	Very low	26.1	Very low	94 Å²	94	142.1 Å²	142.1	66%	0.657	76%	0.759	S	S	*	*			trans	86.1	142.7	150.7	-91.4	0	0	0	0	119.4
339	T	28	Very low	26.5	Very low	114 Å²	114	139.9 Å²	139.9	70%	0.699	76%	0.756	S	S	*	*			cis	-174.3	158.5	-25.8	13	0	0	0	0	110
340	V	26.2	Very low	26.4	Very low	127 Å²	127	140.8 Å²	140.8	77%	0.77	76%	0.763	S	S	*	*			trans	67.9	117.1	142.8	163.6	0	0	0	0	116
341	I	26.5	Very low	26.7	Very low	154 Å²	154	143.6 Å²	143.6	79%	0.79	77%	0.767	S	S	*	*			cis	-141.5	171.7	25.2	-67	-174.3	0	0	0	112.6
342	T	24.9	Very low	26.6	Very low	112 Å²	112	142.6 Å²	142.6	69%	0.687	77%	0.765	S	S	*	*			trans	-84.6	151.5	179.9	51.8	0	0	0	0	117.9
343	N	23.9	Very low	27.7	Very low	142 Å²	142	143.3 Å²	143.3	76%	0.759	76%	0.762	S	S	*	*			trans	34.7	121.2	136.1	-57.9	-8.4	0	0	0	123.3
344	K	33.4	Very low	27.5	Very low	192 Å²	192	145.1 Å²	145.1	84%	0.835	76%	0.762	S	S	*	*			trans	57.6	154.5	130.3	-63.8	-168.4	175	-173.3	0	122.3
345	N	25	Very low	28.4	Very low	136 Å²	136	140.1 Å²	140.1	73%	0.727	75%	0.75	S	S	*	*			trans	80.2	148.9	171.9	-62.4	18.3	0	0	0	115.9
346	F	24.7	Very low	28.6	Very low	153 Å²	153	141 Å²	141	67%	0.671	75%	0.751	S	S	*	*			cis	-161.6	162.5	-4.8	-130.7	-137.9	0	0	0	111.1
347	E	28.5	Very low	28.6	Very low	159 Å²	159	139.9 Å²	139.9	74%	0.743	74%	0.744	S	S	*	*			trans	59.5	170.2	157.2	-74.7	165.9	-177.9	0	0	118.4
348	D	26.1	Very low	28.6	Very low	132 Å²	132	135.2 Å²	135.2	71%	0.706	74%	0.741	S	S	*	*			cis	-158	159.8	22.3	-167.2	19.2	0	0	0	114.9
349	V	31	Very low	29	Very low	114 Å²	114	137.3 Å²	137.3	69%	0.691	74%	0.744	S	S	*	*			trans	60.6	142.6	147.7	135.1	0	0	0	0	120.9
350	T	23	Very low	29	Very low	124 Å²	124	139.2 Å²	139.2	76%	0.761	75%	0.745	S	S	*	*			cis	-149.8	167.3	22.6	-17.4	0	0	0	0	114.2
351	H	31.1	Very low	28.9	Very low	180 Å²	180	139.3 Å²	139.3	83%	0.833	75%	0.746	S	S	*	*			trans	-78.9	-177.1	161.1	-61.5	-107.1	0	0	0	111.3
352	E	25.7	Very low	28.9	Very low	175 Å²	175	135.2 Å²	135.2	82%	0.818	74%	0.742	S	S	*	*			cis	-170.4	-171.3	29.8	-134.1	-159.3	145.2	0	0	107.4
353	P	46	Very low	29	Very low	106 Å²	106	138.5 Å²	138.5	69%	0.688	75%	0.75	S	S	*	*			cis	-131.1	-165.8	-21.9	35.2	-13.2	0	0	0	115.1
354	L	27.6	Very low	29.1	Very low	156 Å²	156	136.5 Å²	136.5	82%	0.817	75%	0.747	S	S	*	*			trans	-56.7	177.1	174.9	-104.5	79.2	0	0	0	116.9
355	P	46	Very low	28.8	Very low	99 Å²	99	135.5 Å²	135.5	64%	0.643	74%	0.743	S	S	*	*			cis	-142.8	166.2	23.1	41.7	-22.1	0	0	0	120.6
356	T	27	Very low	28.9	Very low	121 Å²	121	134.2 Å²	134.2	74%	0.742	74%	0.736	S	S	*	*			trans	56.2	125.4	150	47.1	0	0	0	0	120.2
357	T	26.7	Very low	29	Very low	121 Å²	121	134 Å²	134	74%	0.742	74%	0.742	S	S	*	*			cis	-157.2	-176.5	-6.6	-32.1	0	0	0	0	108.1
358	T	26.1	Very low	29	Very low	129 Å²	129	132.5 Å²	132.5	79%	0.791	74%	0.743	S	S	*	*				-179.3	-175.2	89	-58.9	0	0	0	0	110.2
359	L	31.9	Very low	28.9	Very low	137 Å²	137	133.5 Å²	133.5	72%	0.717	75%	0.749	S	S	*	*			trans	-109	161.1	-175.3	-61	174.1	0	0	0	111.3
360	Q	28.1	Very low	28.8	Very low	154 Å²	154	131.7 Å²	131.7	72%	0.72	75%	0.746	S	S	*	*			cis	-157.4	137.7	2.7	-115.8	153.2	7.2	0	0	107.6
361	T	24.6	Very low	29.1	Very low	129 Å²	129	133 Å²	133	79%	0.791	75%	0.747	S	S	*	*				70.4	131.6	82.6	-46.9	0	0	0	0	114.9
362	G	25.6	Very low	29.2	Very low	68 Å²	68	133.1 Å²	133.1	70%	0.701	75%	0.745	S	S	*	*			cis	171.9	178	-5.1	0	0	0	0	0	114.9
363	E	27.6	Very low	29.1	Very low	181 Å²	181	132.8 Å²	132.8	85%	0.846	74%	0.744	S	S	*	*			trans	68.8	106.4	148.5	-59.8	-172.4	117.4	0	0	125.2
364	S	26	Very low	28.2	Very low	101 Å²	101	135.5 Å²	135.5	71%	0.706	75%	0.747	S	S	*	*				58.5	135.3	122.3	74.8	0	0	0	0	127
365	K	27	Very low	28	Very low	171 Å²	171	134.5 Å²	134.5	74%	0.743	75%	0.747	S	S	*	*			trans	85.7	145.6	130.9	-98.2	-174.9	148.9	-76.7	0	123.7
366	D	26.3	Very low	26.8	Very low	109 Å²	109	134.5 Å²	134.5	58%	0.583	75%	0.75	S	S	*	*			trans	72.5	112	143	-61.9	-8	0	0	0	124.2
367	D	26.5	Very low	27.2	Very low	148 Å²	148	134.8 Å²	134.8	79%	0.791	75%	0.754	S	S	*	*				71.3	138.8	120.8	-91.7	-45.3	0	0	0	126.4
368	V	28.5	Very low	27.1	Very low	127 Å²	127	137.1 Å²	137.1	77%	0.77	76%	0.756	S	S	*	*			trans	55.9	129.1	156.6	-105.2	0	0	0	0	127.2
369	D	25.3	Very low	28.1	Very low	154 Å²	154	135.8 Å²	135.8	82%	0.824	75%	0.75	S	S	*	*				78.8	145.7	127.9	-126.5	-8.6	0	0	0	127.6
370	A	28.7	Very low	29	Very low	76 Å²	76	133.5 Å²	133.5	63%	0.628	74%	0.743	S	S	*	*			trans	48.2	104.3	144.3	0	0	0	0	0	126.5
371	L	29.1	Very low	29.1	Very low	152 Å²	152	134.5 Å²	134.5	80%	0.796	75%	0.745	S	S	*	*				70.3	136.3	111.7	-121.8	77.1	0	0	0	125.5
372	K	32.5	Very low	29.2	Very low	182 Å²	182	134 Å²	134	79%	0.791	74%	0.738	S	S	*	*			trans	75.9	119.4	147.1	-83.5	175.6	-175.8	177.7	0	123.8
373	Q	23.6	Very low	29.3	Very low	168 Å²	168	137.6 Å²	137.6	79%	0.785	74%	0.736	S	S	*	*				-171.6	134.3	104.3	-101	-179.5	-23.5	0	0	110.3
374	E	27.6	Very low	29.4	Very low	163 Å²	163	135.3 Å²	135.3	76%	0.762	73%	0.728	S	S	*	*				54.8	137.2	99.5	-65.8	-172.6	-149.4	0	0	115.7
375	T	22.4	Very low	29.4	Very low	134 Å²	134	139 Å²	139	82%	0.822	74%	0.735	S	S	*	*			cis	-154.5	171.9	29.9	-23.4	0	0	0	0	112.5
376	S	21.7	Very low	29.4	Very low	100 Å²	100	139.2 Å²	139.2	70%	0.699	74%	0.738	S	S	*	*			trans	-98.4	165.8	175.7	-162.8	0	0	0	0	112.6
377	P	35.2	Very low	30	Very low	126 Å²	126	138.9 Å²	138.9	82%	0.818	74%	0.742	S	S	*	*				-146.5	166.8	87.5	38.9	-21	0	0	0	117.5
378	E	25.3	Very low	29.9	Very low	170 Å²	170	140.1 Å²	140.1	79%	0.794	74%	0.743	S	S	*	*			trans	-97.5	-153.3	176.6	-140.5	-161.4	-179.7	0	0	109.5
379	P	47.2	Very low	30	Very low	101 Å²	101	143.2 Å²	143.2	66%	0.656	75%	0.749	S	S	*	*			cis	-143.1	-139.3	-13.1	34.9	-7.8	0	0	0	113.7
380	P	50.5	Low	30.2	Very low	90 Å²	90	144.5 Å²	144.5	58%	0.584	75%	0.75	S	S	*	*				-130.4	-179.9	-64.1	26.7	-5.8	0	0	0	115.6
381	K	28.9	Very low	30.2	Very low	175 Å²	175	150.4 Å²	150.4	76%	0.761	76%	0.758	S	S	*	*				143.5	114.9	126.3	-79.2	178.3	-172.7	-178.3	0	113.7
382	N	27.6	Very low	30.2	Very low	119 Å²	119	149.3 Å²	149.3	64%	0.636	76%	0.757	S	S	*	*				92	144.5	70.4	-77.3	18.2	0	0	0	112.7
383	Q	28	Very low	29.9	Very low	143 Å²	143	143.7 Å²	143.7	67%	0.668	75%	0.751	S	S	*	*			cis	-175.6	165.4	-9.8	-111.6	170.2	8.3	0	0	109.1
384	I	28.4	Very low	30.2	Very low	132 Å²	132	143.7 Å²	143.7	68%	0.677	76%	0.756	S	S	*	*			trans	72.5	147.7	153.5	-71.7	160.8	0	0	0	115.4
385	E	26.7	Very low	30.4	Very low	179 Å²	179	145.1 Å²	145.1	84%	0.836	76%	0.763	S	S	*	*			cis	-149.3	170.3	15	-143.4	137.2	-130.6	0	0	112.8
386	E	27	Very low	31.2	Very low	176 Å²	176	149.2 Å²	149.2	82%	0.822	76%	0.763	S	S	*	*			trans	-121.3	159.6	163.2	-100.4	-173.9	177.6	0	0	107.7
387	P	38.8	Very low	31.6	Very low	102 Å²	102	150.2 Å²	150.2	66%	0.662	77%	0.765	S	S	*	*				-160.7	-161.4	53.2	45.7	-22.2	0	0	0	118.3
388	E	25.6	Very low	31.5	Very low	174 Å²	174	150 Å²	150	81%	0.813	76%	0.756	S	S	*	*			trans	83.7	110.2	152.6	-77.2	175.2	-155.5	0	0	123.3
389	E	30.3	Very low	31.7	Very low	191 Å²	191	151 Å²	151	89%	0.893	76%	0.758	S	S	*	*			trans	22.3	132.6	140.2	-49.8	-174.8	166.3	0	0	120.6
390	E	29.9	Very low	30.9	Very low	181 Å²	181	152.8 Å²	152.8	85%	0.846	76%	0.762	S	S	*	*				-172	136.1	55.8	174.9	173	-154.8	0	0	113.8
391	Y	27.3	Very low	30.3	Very low	201 Å²	201	152.4 Å²	152.4	79%	0.788	77%	0.767	S	S	*	*			trans	31.4	106.4	148.5	-158.2	-116.8	0	0	0	123.1
392	T	28.6	Very low	30.7	Very low	129 Å²	129	152.2 Å²	152.2	79%	0.791	77%	0.774	S	S	*	*				167.9	152.5	116.6	33	0	0	0	0	113.9
393	G	27.8	Very low	30.8	Very low	63 Å²	63	150.2 Å²	150.2	65%	0.649	78%	0.781	S	S	*	*			trans	104.6	65	133.6	0	0	0	0	0	120.6
394	N	30.2	Very low	31.1	Very low	169 Å²	169	151 Å²	151	90%	0.904	79%	0.79	S	S	*	*			trans	54.3	77.7	145.6	-54.2	13	0	0	0	116.7
395	E	31.5	Very low	31.3	Very low	192 Å²	192	149 Å²	149	90%	0.897	79%	0.793	S	S	*	*			trans	-74.1	160.4	176.5	-142.1	171.7	-170.3	0	0	113.5
396	R	37.6	Very low	31.9	Very low	220 Å²	220	146.1 Å²	146.1	83%	0.83	79%	0.791	S	S	*	*			trans	-81.8	121.4	179	-58.9	167.4	-172.4	-113.5	-2.5	109.5	I398	R396-I398 VanDerWaalsContact C-N 3.33Å; R396-I398 HydrophobicContact CB-CG1 4.32Å; R396-I398 PolarHBondContact O-N 3.11Å
397	V	31.8	Very low	32	Very low	122 Å²	122	147.4 Å²	147.4	74%	0.739	79%	0.79	S	S	*	*			trans	-76	92.5	161	-176.5	0	0	0	0	108.1	F399	V397-F399 HydrophobicContact CG1-CD2 3.98Å; V397-F399 HydrophobicContact CG1-CE2 3.82Å; V397-F399 HydrophobicContact CG1-CZ 4.47Å; V397-F399 PolarHBondContact O-N 3.27Å
398	I	33	Very low	32.1	Very low	122 Å²	122	151 Å²	151	63%	0.626	80%	0.798	S	S	*	*			trans	-76	113.4	162.6	-61.9	176.6	0	0	0	106.2	R396 N400	R396-I398 VanDerWaalsContact C-N 3.33Å; R396-I398 HydrophobicContact CB-CG1 4.32Å; R396-I398 PolarHBondContact O-N 3.11Å; I398-N400 PolarHBondContact O-N 3.3Å; I398-N400 VanDerWaalsContact O-N 3.07Å
399	F	27.9	Very low	32.4	Very low	191 Å²	191	145.8 Å²	145.8	84%	0.838	79%	0.791	S	S	*	*			trans	-71.1	100.3	165.5	-87.5	-89	0	0	0	108.5	V397	V397-F399 HydrophobicContact CG1-CD2 3.98Å; V397-F399 HydrophobicContact CG1-CE2 3.82Å; V397-F399 HydrophobicContact CG1-CZ 4.47Å; V397-F399 PolarHBondContact O-N 3.27Å
400	N	31.2	Very low	32.5	Very low	137 Å²	137	148.1 Å²	148.1	73%	0.733	79%	0.792	S	S	*	*			trans	-68.3	147.1	160.3	-64.9	-32.8	0	0	0	108.6	I398	I398-N400 PolarHBondContact O-N 3.3Å; I398-N400 VanDerWaalsContact O-N 3.07Å
401	A	39	Very low	32.8	Very low	83 Å²	83	142.7 Å²	142.7	69%	0.686	78%	0.784	S	S	*	*			trans	-73.6	-176.8	171	0	0	0	0	0	111.5
402	D	35.5	Very low	33.2	Very low	170 Å²	170	142.6 Å²	142.6	91%	0.909	79%	0.791	S	S	*	*			trans	78.9	97.2	171.9	-48	-21.1	0	0	0	115.1
403	G	30.2	Very low	33.4	Very low	77 Å²	77	142.1 Å²	142.1	79%	0.794	79%	0.793	S	S	*	*			trans	-171.8	66.4	-178.2	0	0	0	0	0	112.7
404	D	34.8	Very low	33.6	Very low	161 Å²	161	144.6 Å²	144.6	86%	0.861	80%	0.799	S	S	*	*			trans	-66.5	125.8	-177.4	-177.9	18.5	0	0	0	113
405	A	32.7	Very low	34	Very low	90 Å²	90	143.3 Å²	143.3	74%	0.744	80%	0.798	S	S	*	*			trans	-158.8	110.9	173.2	0	0	0	0	0	112
406	C	38.2	Very low	34.2	Very low	117 Å²	117	141 Å²	141	79%	0.791	79%	0.791	S	S	*	*			trans	-48.6	130.4	-174.6	-51	0	0	0	0	116.2
407	Y	30.3	Very low	34.6	Very low	203 Å²	203	135.7 Å²	135.7	80%	0.796	79%	0.786	S	S	*	*			trans	-105.2	103.9	156.2	-172	-99	0	0	0	109.7
408	Q	41.4	Very low	35.4	Very low	178 Å²	178	137.3 Å²	137.3	83%	0.832	79%	0.79	S	S	*	*			trans	-110	129.7	173.6	-79.4	-171.2	-22.9	0	0	111
409	G	32.1	Very low	36	Very low	64 Å²	64	138.9 Å²	138.9	66%	0.66	80%	0.8	S	S	*	*			trans	76.2	84.7	146.8	0	0	0	0	0	118.1
410	W	32.4	Very low	36.9	Very low	240 Å²	240	137 Å²	137	91%	0.909	80%	0.799	S	S	*	*			trans	-135.2	89.8	140	-87.4	93.1	0	0	0	109.2
411	G	34.8	Very low	37.9	Very low	67 Å²	67	137.3 Å²	137.3	69%	0.691	80%	0.799	S	S	*	*			trans	-137.1	170.3	174.1	0	0	0	0	0	111
412	E	35.9	Very low	38.4	Very low	199 Å²	199	144.2 Å²	144.2	93%	0.93	81%	0.809	S	S	*	*			trans	65.3	84.6	168.5	-62.3	178.1	-162.3	0	0	118.6
413	S	33.3	Very low	38.9	Very low	120 Å²	120	139.1 Å²	139.1	84%	0.839	80%	0.797	S	S	*	*				-175.7	143.1	114.5	-121.3	0	0	0	0	110.6
414	C	32.1	Very low	40	Very low	115 Å²	115	143.8 Å²	143.8	78%	0.777	80%	0.804	S	S	*	*			cis	-134.8	143.3	11	-45.7	0	0	0	0	111.9
415	T	38.4	Very low	40.6	Very low	142 Å²	142	143.5 Å²	143.5	87%	0.871	80%	0.802	S	S	*	*			trans	-136.9	152.3	158.2	36.8	0	0	0	0	109.1
416	D	35.9	Very low	41.6	Very low	143 Å²	143	147.8 Å²	147.8	77%	0.765	81%	0.807	S	S	*	*			trans	-67.7	141.5	-176.3	-81.6	-63.3	0	0	0	112.6	D418	D416-D418 VanDerWaalsContact C-N 3.26Å; D416-D418 PolarHBondContact O-N 3.4Å; D416-D418 VanDerWaalsContact O-N 3.09Å
417	P	46.8	Very low	42.4	Very low	109 Å²	109	149.7 Å²	149.7	71%	0.708	81%	0.809	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	30	-169.6	37.4	-39.9	0	0	0	114.7
418	D	47.2	Very low	43.6	Very low	156 Å²	156	147.7 Å²	147.7	83%	0.834	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.1	2.3	-169	-92.9	-25.9	0	0	0	114.8	D416	D416-D418 VanDerWaalsContact C-N 3.26Å; D416-D418 PolarHBondContact O-N 3.4Å; D416-D418 VanDerWaalsContact O-N 3.09Å
419	D	45.7	Very low	44.7	Very low	155 Å²	155	145.1 Å²	145.1	83%	0.829	81%	0.807	S	S	*	*			trans	-114.9	6.3	-172.6	-126.6	-3.7	0	0	0	115.3	L421	D419-L421 VanDerWaalsContact C-N 3.29Å; D419-L421 PolarHBondContact O-N 3.4Å
420	D	47.9	Very low	46.2	Very low	152 Å²	152	147.2 Å²	147.2	81%	0.813	80%	0.796	S	S	*	*			trans	-72.7	59.9	-177	-70.2	-28.8	0	0	0	114.4
421	L	51.5	Low	48	Very low	143 Å²	143	141.8 Å²	141.8	75%	0.749	78%	0.784	S	S	*	*			trans	-149.9	19.9	-179.3	-146.2	68.6	0	0	0	119.4	D419	D419-L421 VanDerWaalsContact C-N 3.29Å; D419-L421 PolarHBondContact O-N 3.4Å
422	Y	49.7	Very low	49.3	Very low	227 Å²	227	142.2 Å²	142.2	89%	0.89	78%	0.775	S	S	*	*	S	Bend	trans	-148.3	111.4	169.8	-76.7	-76.9	0	0	0	114.7
423	G	46.1	Very low	50.6	Low	64 Å²	64	134 Å²	134	66%	0.66	74%	0.743	S	S	*	*			trans	81	138.2	173.4	0	0	0	0	0	113.3
424	D	52.1	Low	52.2	Low	174 Å²	174	133.6 Å²	133.6	93%	0.93	74%	0.74	S	S	*	*			cis	57.8	36.8	6	-148	43.4	0	0	0	114.9
425	D	48.8	Very low	54.3	Low	155 Å²	155	133.9 Å²	133.9	83%	0.829	73%	0.734	S	S	*	*			trans	-105.9	141.6	149.6	-80.7	-55.4	0	0	0	107.4
426	E	53.9	Low	56.4	Low	180 Å²	180	130.8 Å²	130.8	84%	0.841	72%	0.715	S	S	*	*			trans	-67.4	156.5	-162.6	-58.6	177.7	142.5	0	0	114.4	I428	E426-I428 PolarHBondContact O-N 3.09Å
427	D	53.3	Low	58.9	Low	158 Å²	158	127.7 Å²	127.7	85%	0.845	70%	0.702	S	S	*	*			trans	-56.4	97.2	161.6	-78.9	-57.8	0	0	0	109.2	V429	D427-V429 PolarHBondContact O-N 2.89Å
428	I	55.7	Low	61.1	Low	160 Å²	160	129.3 Å²	129.3	82%	0.821	70%	0.7	S	S	*	*			trans	-71.7	81.3	171.4	-55.6	-178.5	0	0	0	107.6	E426 Y430	E426-I428 PolarHBondContact O-N 3.09Å; I428-Y430 PolarHBondContact O-N 2.78Å
429	V	64.9	Low	63.2	Low	124 Å²	124	125.7 Å²	125.7	75%	0.752	68%	0.679	S	S	*	*			trans	-57.8	104.9	167.5	178.1	0	0	0	0	106.8	D427 D431	D427-V429 PolarHBondContact O-N 2.89Å; V429-D431 VanDerWaalsContact C-N 3.33Å; V429-D431 PolarHBondContact O-N 2.88Å
430	Y	64.2	Low	65.5	Low	109 Å²	109	123.8 Å²	123.8	43%	0.427	68%	0.675	S	S	.	*			trans	-66.7	92.7	177.7	-175.7	-89.3	0	0	0	109.1	I428 P432 Y469 D473	I428-Y430 PolarHBondContact O-N 2.78Å; Y430-P432 HydrophobicContact CD1-CG 4.24Å; Y430-P432 HydrophobicContact CE1-CB 4.15Å; Y430-P432 HydrophobicContact CE1-CG 4.32Å; Y430-P432 VanDerWaalsContact O-CD 3.23Å; Y430-P432 WeakPolarHBondContact O-CD 3.39Å; Y430-Y469 AromaticContact CE1-CD1 3.97Å; Y430-Y469 HydrophobicContact CE1-CD1 3.97Å; Y430-Y469 AromaticContact CE1-CE1 3.76Å; Y430-Y469 HydrophobicContact CE1-CE1 3.76Å; Y430-D473 HydrophobicContact CE2-CB 4.14Å; Y430-D473 WeakPolarHBondContact CE2-OD1 3.5Å; Y430-D473 VanDerWaalsContact OH-CB 3.28Å; Y430-D473 WeakPolarHBondContact OH-CB 3.47Å; Y430-D473 PolarHBondContact OH-OD1 3.11Å; Y430-D473 PolarHBondContact OH-OD2 2.76Å
431	D	69.2	Low	67.6	Low	126 Å²	126	117.6 Å²	117.6	67%	0.674	65%	0.648	S	S	*	*			trans	-68.8	115.1	166.5	-176.1	-16.2	0	0	0	108	V429 G433	V429-D431 VanDerWaalsContact C-N 3.33Å; V429-D431 PolarHBondContact O-N 2.88Å; D431-G433 PolarHBondContact O-N 3.04Å; D431-G433 PolarHBondContact OD1-N 3.38Å
432	P	62.2	Low	69.5	Low	76 Å²	76	114.7 Å²	114.7	49%	0.494	63%	0.633	S	S	.	*			trans	-68.7	-1.6	-177.8	-19.2	34.3	0	0	0	114.6	Y430	Y430-P432 HydrophobicContact CD1-CG 4.24Å; Y430-P432 HydrophobicContact CE1-CB 4.15Å; Y430-P432 HydrophobicContact CE1-CG 4.32Å; Y430-P432 VanDerWaalsContact O-CD 3.23Å; Y430-P432 WeakPolarHBondContact O-CD 3.39Å
433	G	64.6	Low	71.3	Confident	25 Å²	25	109.2 Å²	109.2	26%	0.258	63%	0.625	S	S	.	*			trans	58.4	62.6	168.5	0	0	0	0	0	112.4	D431 D435	D431-G433 PolarHBondContact O-N 3.04Å; D431-G433 PolarHBondContact OD1-N 3.38Å; G433-D435 PolarHBondContact O-N 3.26Å
434	S	66.4	Low	73.2	Confident	112 Å²	112	111.5 Å²	111.5	78%	0.783	62%	0.618	S	S	*	*			trans	-73.5	43.3	-174	71.9	0	0	0	0	113.9	V436	S434-V436 PolarHBondContact O-N 2.96Å
435	D	75.3	Confident	74.7	Confident	121 Å²	121	106.6 Å²	106.6	65%	0.647	59%	0.59	S	S	*	*			trans	-67	119.5	175.8	-77.3	-33	0	0	0	110.2	G433 N467	G433-D435 PolarHBondContact O-N 3.26Å; D435-N467 WeakPolarHBondContact O-CB 3.49Å; D435-N467 PolarHBondContact O-N 3.06Å
436	V	83.1	Confident	76.2	Confident	78 Å²	78	104.3 Å²	104.3	47%	0.473	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.6	129.9	173.2	-175.9	0	0	0	0	108.4	S434 T464 F466	S434-V436 PolarHBondContact O-N 2.96Å; V436-T464 HydrophobicContact CG1-CG2 4.48Å; V436-F466 HydrophobicContact CG1-CD1 4.43Å; V436-F466 HydrophobicContact CG1-CE1 4.39Å; V436-F466 HydrophobicContact CG2-CD1 3.75Å; V436-F466 HydrophobicContact CG2-CE1 3.94Å
437	T	88.6	Confident	77	Confident	78 Å²	78	103.6 Å²	103.6	48%	0.479	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.1	139.2	177	56.3	0	0	0	0	110.4	V465	T437-V465 PolarHBondContact N-O 2.91Å; T437-V465 PolarHBondContact O-N 3.28Å; T437-V465 PolarHBondContact OG1-O 3.31Å
438	E	93.1	Very high	77.9	Confident	143 Å²	143	105.2 Å²	105.2	67%	0.668	57%	0.574	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.1	128.4	174	-70	-172	-178.1	0	0	110.5	P462	E438-P462 HydrophobicContact CB-CB 4.18Å; E438-P462 HydrophobicContact CG-CB 4.44Å
439	I	91.8	Very high	78.7	Confident	79 Å²	79	103.3 Å²	103.3	41%	0.405	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.8	156.9	168.4	69.1	174.4	0	0	0	110.1	G441 P462 I463 V465	I439-G441 PolarHBondContact O-N 2.75Å; I439-P462 CarbonylContact O-C 3.56Å; I439-P462 WeakPolarHBondContact O-CA 3.39Å; I439-I463 HydrophobicContact CD1-CB 4.31Å; I439-I463 HydrophobicContact CD1-CG2 4.37Å; I439-I463 HydrophobicContact CG1-CB 3.77Å; I439-I463 HydrophobicContact CG1-CG2 4.23Å; I439-I463 PolarHBondContact N-O 3.27Å; I439-I463 PolarHBondContact O-N 3.05Å; I439-V465 HydrophobicContact CB-CG2 4.41Å; I439-V465 HydrophobicContact CD1-CG2 3.76Å; I439-V465 HydrophobicContact CG1-CG2 3.83Å; I439-V465 HydrophobicContact CG2-CG2 3.81Å
440	P	93.9	Very high	79.3	Confident	115 Å²	115	99.1 Å²	99.1	75%	0.747	54%	0.541	S	S	*	.			trans	-51.2	139.8	175.5	-28.2	36.3	0	0	0	112.6
441	G	90.8	Very high	80.3	Confident	23 Å²	23	97.7 Å²	97.7	24%	0.237	55%	0.545	C	S	.	.			trans	-64.7	174.6	179.1	0	0	0	0	0	113.6	I439 S461	I439-G441 PolarHBondContact O-N 2.75Å; G441-S461 WeakPolarHBondContact CA-O 3.33Å
442	L	91.7	Very high	80.7	Confident	81 Å²	81	98.4 Å²	98.4	42%	0.424	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-60.1	142.4	170.8	-62.1	172.2	0	0	0	109.7	F458 S459 T460 I463	L442-F458 HydrophobicContact CD1-CB 3.85Å; L442-F458 HydrophobicContact CD1-CD1 4.35Å; L442-F458 HydrophobicContact CD1-CG 4.3Å; L442-S459 WeakPolarHBondContact CB-O 3.34Å; L442-T460 WeakPolarHBondContact O-CA 3.33Å; L442-T460 WeakPolarHBondContact O-CB 3.43Å; L442-T460 WeakPolarHBondContact O-CG2 3.39Å; L442-I463 HydrophobicContact CD2-CD1 4.37Å; L442-I463 HydrophobicContact CG-CD1 4.32Å
443	P	88.6	Confident	81.8	Confident	112 Å²	112	104.1 Å²	104.1	73%	0.727	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-62.8	145.1	178.1	26.7	-34.4	0	0	0	110.9	E445	P443-E445 PolarHBondContact O-N 2.8Å
444	E	85.6	Confident	82.9	Confident	112 Å²	112	106.5 Å²	106.5	52%	0.523	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-61.2	118.4	175	-175.2	96.3	172.2	0	0	109.8	K447 T460	E444-K447 WeakPolarHBondContact OE1-CE 3.43Å; E444-K447 IonicContact OE1-NZ 2.73Å; E444-K447 PolarHBondContact OE1-NZ 2.81Å; E444-T460 HydrophobicContact CB-CG2 4.33Å; E444-T460 PolarHBondContact OE2-OG1 3.22Å
445	E	83.8	Confident	83.9	Confident	71 Å²	71	111.2 Å²	111.2	33%	0.332	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-65.7	137.7	178.2	-63.6	171.1	110.3	0	0	111.2	P443 K447 V450 R454	P443-E445 PolarHBondContact O-N 2.8Å; E445-K447 PolarHBondContact O-N 3.17Å; E445-V450 HydrophobicContact CB-CG2 3.58Å; E445-V450 HydrophobicContact CG-CG2 4.41Å; E445-R454 IonicContact OE1-CZ 3.92Å; E445-R454 IonicContact OE1-NH1 2.67Å; E445-R454 PolarHBondContact OE1-NH1 3.39Å; E445-R454 IonicContact OE1-NH2 3.91Å; E445-R454 IonicContact OE2-CZ 2.67Å; E445-R454 IonicContact OE2-NH1 2.85Å; E445-R454 PolarHBondContact OE2-NH1 3.11Å; E445-R454 IonicContact OE2-NH2 3.02Å; E445-R454 PolarHBondContact OE2-NH2 3.08Å
446	N	80.4	Confident	84.6	Confident	108 Å²	108	110.8 Å²	110.8	58%	0.578	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-55.6	121.1	174.9	-73.8	-15.6	0	0	0	110.9	E448 D449 V450	N446-E448 PolarHBondContact O-N 2.91Å; N446-E448 VanDerWaalsContact O-N 3.09Å; N446-D449 HydrophobicContact CB-CB 4.04Å; N446-D449 WeakPolarHBondContact CB-OD2 3.46Å; N446-D449 PolarHBondContact ND2-OD2 3.5Å; N446-D449 PolarHBondContact O-N 3.13Å; N446-D449 VanDerWaalsContact O-N 3.08Å; N446-V450 WeakPolarHBondContact O-CG2 3.4Å; N446-V450 PolarHBondContact O-N 2.76Å; N446-V450 VanDerWaalsContact O-N 3.16Å
447	K	70.5	Confident	84.7	Confident	164 Å²	164	117.6 Å²	117.6	71%	0.713	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-7.8	-176.1	-71.7	161.5	-175.3	158.2	0	114.1	E444 E445	E444-K447 WeakPolarHBondContact OE1-CE 3.43Å; E444-K447 IonicContact OE1-NZ 2.73Å; E444-K447 PolarHBondContact OE1-NZ 2.81Å; E445-K447 PolarHBondContact O-N 3.17Å
448	E	71.7	Confident	84.9	Confident	193 Å²	193	119.3 Å²	119.3	90%	0.902	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-30.9	174.6	-63.5	176.4	-177.8	0	0	111.6	N446	N446-E448 PolarHBondContact O-N 2.91Å; N446-E448 VanDerWaalsContact O-N 3.09Å
449	D	72.1	Confident	84.8	Confident	119 Å²	119	116 Å²	116	64%	0.636	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-23.8	179.6	-61.5	-45.2	0	0	0	112.9	N446 P451	N446-D449 HydrophobicContact CB-CB 4.04Å; N446-D449 WeakPolarHBondContact CB-OD2 3.46Å; N446-D449 PolarHBondContact ND2-OD2 3.5Å; N446-D449 PolarHBondContact O-N 3.13Å; N446-D449 VanDerWaalsContact O-N 3.08Å; D449-P451 VanDerWaalsContact O-CD 3.31Å; D449-P451 WeakPolarHBondContact O-CD 3.41Å
450	V	78.9	Confident	84.8	Confident	37 Å²	37	115.4 Å²	115.4	22%	0.224	59%	0.588	C	S	.	*	S	Bend	trans	-76	118.1	179.5	174.5	0	0	0	0	111	E445 N446	E445-V450 HydrophobicContact CB-CG2 3.58Å; E445-V450 HydrophobicContact CG-CG2 4.41Å; N446-V450 WeakPolarHBondContact O-CG2 3.4Å; N446-V450 PolarHBondContact O-N 2.76Å; N446-V450 VanDerWaalsContact O-N 3.16Å
451	P	83.9	Confident	84.8	Confident	79 Å²	79	113.3 Å²	113.3	51%	0.513	58%	0.576	S	S	.	*			trans	-63.2	128.2	-178.5	-24.2	35.2	0	0	0	112	D449 K453 R454	D449-P451 VanDerWaalsContact O-CD 3.31Å; D449-P451 WeakPolarHBondContact O-CD 3.41Å; P451-K453 PolarHBondContact O-N 2.76Å; P451-R454 VanDerWaalsContact O-CB 3.31Å; P451-R454 WeakPolarHBondContact O-CB 3.45Å; P451-R454 PolarHBondContact O-N 2.67Å
452	P	78.7	Confident	85	Confident	140 Å²	140	115.7 Å²	115.7	91%	0.909	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-3.6	-172.1	26	-35.6	0	0	0	114.8
453	K	85.4	Confident	85.1	Confident	197 Å²	197	115.1 Å²	115.1	86%	0.857	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-10.2	172.1	-62.4	179.4	-178.3	175.5	0	113.2	P451 K455	P451-K453 PolarHBondContact O-N 2.76Å; K453-K455 PolarHBondContact O-N 2.75Å
454	R	87.1	Confident	85.4	Confident	74 Å²	74	113.2 Å²	113.2	28%	0.279	57%	0.57	S	S	.	*			trans	-74.4	112.5	-175.1	-162.7	-172.1	74.7	179.4	-3.2	110.5	E445 P451 I456	E445-R454 IonicContact OE1-CZ 3.92Å; E445-R454 IonicContact OE1-NH1 2.67Å; E445-R454 PolarHBondContact OE1-NH1 3.39Å; E445-R454 IonicContact OE1-NH2 3.91Å; E445-R454 IonicContact OE2-CZ 2.67Å; E445-R454 IonicContact OE2-NH1 2.85Å; E445-R454 PolarHBondContact OE2-NH1 3.11Å; E445-R454 IonicContact OE2-NH2 3.02Å; E445-R454 PolarHBondContact OE2-NH2 3.08Å; P451-R454 VanDerWaalsContact O-CB 3.31Å; P451-R454 WeakPolarHBondContact O-CB 3.45Å; P451-R454 PolarHBondContact O-N 2.67Å; R454-I456 HydrophobicContact CG-CG1 3.76Å; R454-I456 PolarHBondContact NE-O 2.76Å; R454-I456 PolarHBondContact NH2-O 3.4Å
455	K	87.7	Confident	85.7	Confident	212 Å²	212	110.6 Å²	110.6	92%	0.922	56%	0.562	S	S	*	*			trans	-75.9	-28.1	-179.5	-65.3	-177.1	179.9	179	0	113.8	K453	K453-K455 PolarHBondContact O-N 2.75Å
456	I	88.8	Confident	86	Confident	112 Å²	112	113.8 Å²	113.8	57%	0.574	58%	0.575	S	S	*	*			trans	-80.3	149.5	175.6	62.2	171.3	0	0	0	111.1	R454	R454-I456 HydrophobicContact CG-CG1 3.76Å; R454-I456 PolarHBondContact NE-O 2.76Å; R454-I456 PolarHBondContact NH2-O 3.4Å
457	R	85.9	Confident	86.3	Confident	220 Å²	220	113.7 Å²	113.7	83%	0.83	57%	0.574	S	S	*	*			trans	-139.5	144.5	169.5	-60.8	-170.8	-62.2	-140.1	2	108.1
458	F	91.9	Very high	87.1	Confident	114 Å²	114	110.2 Å²	110.2	50%	0.5	57%	0.567	S	S	.	*			trans	-80.7	157.7	174.2	-62.4	-70.7	0	0	0	111.1	L442	L442-F458 HydrophobicContact CD1-CB 3.85Å; L442-F458 HydrophobicContact CD1-CD1 4.35Å; L442-F458 HydrophobicContact CD1-CG 4.3Å
459	S	92.9	Very high	87.9	Confident	73 Å²	73	106.9 Å²	106.9	51%	0.51	55%	0.547	S	S	.	.			trans	-84.2	125.5	174.6	-171	0	0	0	0	110.2	L442 S461	L442-S459 WeakPolarHBondContact CB-O 3.34Å; S459-S461 WeakPolarHBondContact OG-CB 3.33Å; S459-S461 PolarHBondContact OG-N 2.91Å
460	T	91.1	Very high	88.7	Confident	67 Å²	67	103.5 Å²	103.5	41%	0.411	53%	0.533	S	S	.	.			trans	-94.7	1.7	172.4	57.1	0	0	0	0	112.5	L442 E444	L442-T460 WeakPolarHBondContact O-CA 3.33Å; L442-T460 WeakPolarHBondContact O-CB 3.43Å; L442-T460 WeakPolarHBondContact O-CG2 3.39Å; E444-T460 HydrophobicContact CB-CG2 4.33Å; E444-T460 PolarHBondContact OE2-OG1 3.22Å
461	S	92.8	Very high	89.3	Confident	71 Å²	71	106.8 Å²	106.8	50%	0.497	55%	0.549	S	S	.	.	S	Bend	trans	-66.2	155.5	169.1	-54.1	0	0	0	0	111.6	G441 S459	G441-S461 WeakPolarHBondContact CA-O 3.33Å; S459-S461 WeakPolarHBondContact OG-CB 3.33Å; S459-S461 PolarHBondContact OG-N 2.91Å
462	P	94.9	Very high	89.5	Confident	74 Å²	74	112.1 Å²	112.1	48%	0.481	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-49.6	143.2	173.8	-27	35.4	0	0	0	112.8	E438 I439	E438-P462 HydrophobicContact CB-CB 4.18Å; E438-P462 HydrophobicContact CG-CB 4.44Å; I439-P462 CarbonylContact O-C 3.56Å; I439-P462 WeakPolarHBondContact O-CA 3.39Å
463	I	95.6	Very high	90	Very high	69 Å²	69	109.5 Å²	109.5	35%	0.354	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121.5	177	-65.6	162.7	0	0	0	107.8	I439 L442 V465	I439-I463 HydrophobicContact CD1-CB 4.31Å; I439-I463 HydrophobicContact CD1-CG2 4.37Å; I439-I463 HydrophobicContact CG1-CB 3.77Å; I439-I463 HydrophobicContact CG1-CG2 4.23Å; I439-I463 PolarHBondContact N-O 3.27Å; I439-I463 PolarHBondContact O-N 3.05Å; L442-I463 HydrophobicContact CD2-CD1 4.37Å; L442-I463 HydrophobicContact CG-CD1 4.32Å; I463-V465 PolarHBondContact O-N 2.97Å
464	T	93.6	Very high	90.2	Very high	71 Å²	71	106.7 Å²	106.7	44%	0.436	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	116.6	171.2	52.6	0	0	0	0	110.1	V436	V436-T464 HydrophobicContact CG1-CG2 4.48Å
465	V	92.8	Very high	90.5	Very high	57 Å²	57	106.7 Å²	106.7	35%	0.345	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	110.2	172.9	-179	0	0	0	0	108.1	T437 I439 I463	T437-V465 PolarHBondContact N-O 2.91Å; T437-V465 PolarHBondContact O-N 3.28Å; T437-V465 PolarHBondContact OG1-O 3.31Å; I439-V465 HydrophobicContact CB-CG2 4.41Å; I439-V465 HydrophobicContact CD1-CG2 3.76Å; I439-V465 HydrophobicContact CG1-CG2 3.83Å; I439-V465 HydrophobicContact CG2-CG2 3.81Å; I463-V465 PolarHBondContact O-N 2.97Å
466	F	88.4	Confident	90.9	Very high	139 Å²	139	102.2 Å²	102.2	61%	0.61	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	132.9	172.4	-59.5	-85.7	0	0	0	109.5	V436	V436-F466 HydrophobicContact CG1-CD1 4.43Å; V436-F466 HydrophobicContact CG1-CE1 4.39Å; V436-F466 HydrophobicContact CG2-CD1 3.75Å; V436-F466 HydrophobicContact CG2-CE1 3.94Å
467	N	87.8	Confident	91.1	Very high	105 Å²	105	104.5 Å²	104.5	56%	0.561	52%	0.515	S	S	*	.			trans	-65.1	151.5	164.8	-167	24.8	0	0	0	110.3	D435	D435-N467 WeakPolarHBondContact O-CB 3.49Å; D435-N467 PolarHBondContact O-N 3.06Å
468	T	87.6	Confident	91.6	Very high	91 Å²	91	98.7 Å²	98.7	56%	0.558	50%	0.5	S	S	*	.			trans	-141.3	147.8	174.8	69.3	0	0	0	0	108.5	S470	T468-S470 PolarHBondContact O-N 3.31Å
469	Y	88.1	Confident	91.6	Very high	123 Å²	123	100.8 Å²	100.8	48%	0.482	51%	0.512	S	S	.	.			trans	-29.9	126.5	175.8	-54.9	-84.5	0	0	0	112.9	Y430 R476	Y430-Y469 AromaticContact CE1-CD1 3.97Å; Y430-Y469 HydrophobicContact CE1-CD1 3.97Å; Y430-Y469 AromaticContact CE1-CE1 3.76Å; Y430-Y469 HydrophobicContact CE1-CE1 3.76Å; Y469-R476 VanDerWaalsContact O-CZ 3.29Å; Y469-R476 PolarHBondContact O-NH1 2.9Å; Y469-R476 PolarHBondContact O-NH2 2.79Å
470	S	89.6	Confident	91.5	Very high	48 Å²	48	105.8 Å²	105.8	34%	0.336	53%	0.527	S	S	.	.			trans	-65.2	175.4	176.8	78.1	0	0	0	0	110.6	T468 E472 D473 Y474 R476	T468-S470 PolarHBondContact O-N 3.31Å; S470-E472 PolarHBondContact O-N 2.87Å; S470-E472 PolarHBondContact OG-N 2.89Å; S470-D473 WeakPolarHBondContact CA-OD2 3.29Å; S470-D473 WeakPolarHBondContact CB-OD2 3.48Å; S470-D473 PolarHBondContact N-OD2 2.72Å; S470-D473 VanDerWaalsContact OG-CG 3.28Å; S470-D473 PolarHBondContact OG-N 3.11Å; S470-D473 VanDerWaalsContact OG-N 3.11Å; S470-D473 PolarHBondContact OG-OD2 3.35Å; S470-Y474 PolarHBondContact O-N 2.99Å; S470-R476 PolarHBondContact O-NH1 2.87Å; S470-R476 VanDerWaalsContact O-NH1 3.13Å
471	N	89.7	Confident	91.6	Very high	107 Å²	107	107.2 Å²	107.2	57%	0.572	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-1.8	169.5	-69.3	-40.9	0	0	0	112.9	R476	N471-R476 WeakPolarHBondContact OD1-CD 3.48Å; N471-R476 PolarHBondContact OD1-NH1 3.03Å
472	E	89	Confident	91.4	Very high	191 Å²	191	107.4 Å²	107.4	89%	0.893	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-34	173	-55.3	-173.8	172.6	0	0	110.3	S470	S470-E472 PolarHBondContact O-N 2.87Å; S470-E472 PolarHBondContact OG-N 2.89Å
473	D	89	Confident	91.1	Very high	85 Å²	85	108 Å²	108	46%	0.455	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-39.9	172.9	-44.3	-73.4	0	0	0	112.9	Y430 S470	Y430-D473 HydrophobicContact CE2-CB 4.14Å; Y430-D473 WeakPolarHBondContact CE2-OD1 3.5Å; Y430-D473 VanDerWaalsContact OH-CB 3.28Å; Y430-D473 WeakPolarHBondContact OH-CB 3.47Å; Y430-D473 PolarHBondContact OH-OD1 3.11Å; Y430-D473 PolarHBondContact OH-OD2 2.76Å; S470-D473 WeakPolarHBondContact CA-OD2 3.29Å; S470-D473 WeakPolarHBondContact CB-OD2 3.48Å; S470-D473 PolarHBondContact N-OD2 2.72Å; S470-D473 VanDerWaalsContact OG-CG 3.28Å; S470-D473 PolarHBondContact OG-N 3.11Å; S470-D473 VanDerWaalsContact OG-N 3.11Å; S470-D473 PolarHBondContact OG-OD2 3.35Å
474	Y	90.5	Very high	90.6	Very high	137 Å²	137	108.9 Å²	108.9	54%	0.537	54%	0.543	S	S	.	.	S	Bend	trans	-132.3	94	-178.7	-177.3	-121.9	0	0	0	109.7	S470 R476	S470-Y474 PolarHBondContact O-N 2.99Å; Y474-R476 HydrophobicContact CD1-CG 3.66Å; Y474-R476 HydrophobicContact CE1-CG 3.75Å; Y474-R476 PolarHBondContact O-N 3.4Å; Y474-R476 VanDerWaalsContact O-N 3.09Å; Y474-R476 PolarHBondContact O-NH1 2.84Å
475	D	93.5	Very high	90.2	Very high	74 Å²	74	106.2 Å²	106.2	40%	0.396	53%	0.528	S	S	.	.			trans	-68.8	106.8	176.6	-167.2	-8.2	0	0	0	110.4	R477	D475-R477 PolarHBondContact O-N 3.4Å; D475-R477 VanDerWaalsContact OD1-CB 3.27Å; D475-R477 WeakPolarHBondContact OD1-CB 3.47Å; D475-R477 WeakPolarHBondContact OD1-CG 3.33Å; D475-R477 IonicContact OD1-CZ 3.77Å; D475-R477 PolarHBondContact OD1-N 2.97Å; D475-R477 VanDerWaalsContact OD1-N 3.07Å; D475-R477 IonicContact OD1-NE 3.29Å; D475-R477 PolarHBondContact OD1-NE 2.82Å; D475-R477 IonicContact OD2-CZ 3.2Å; D475-R477 IonicContact OD2-NE 3.46Å; D475-R477 PolarHBondContact OD2-NE 3.11Å; D475-R477 IonicContact OD2-NH2 2.72Å; D475-R477 PolarHBondContact OD2-NH2 2.82Å
476	R	94.9	Very high	90	Very high	118 Å²	118	106.7 Å²	106.7	45%	0.445	53%	0.534	S	S	.	.			trans	-80.3	4.7	-178.9	-66.2	170.7	179.7	77.1	-5.8	113.1	Y469 S470 N471 Y474	Y469-R476 VanDerWaalsContact O-CZ 3.29Å; Y469-R476 PolarHBondContact O-NH1 2.9Å; Y469-R476 PolarHBondContact O-NH2 2.79Å; S470-R476 PolarHBondContact O-NH1 2.87Å; S470-R476 VanDerWaalsContact O-NH1 3.13Å; N471-R476 WeakPolarHBondContact OD1-CD 3.48Å; N471-R476 PolarHBondContact OD1-NH1 3.03Å; Y474-R476 HydrophobicContact CD1-CG 3.66Å; Y474-R476 HydrophobicContact CE1-CG 3.75Å; Y474-R476 PolarHBondContact O-N 3.4Å; Y474-R476 VanDerWaalsContact O-N 3.09Å; Y474-R476 PolarHBondContact O-NH1 2.84Å
477	R	94.4	Very high	90	Very high	161 Å²	161	103.6 Å²	103.6	61%	0.608	53%	0.53	S	S	*	.			trans	-77.3	139.8	174.7	-63.5	179.1	-61.8	145.1	-4.9	110.3	D475 E479	D475-R477 PolarHBondContact O-N 3.4Å; D475-R477 VanDerWaalsContact OD1-CB 3.27Å; D475-R477 WeakPolarHBondContact OD1-CB 3.47Å; D475-R477 WeakPolarHBondContact OD1-CG 3.33Å; D475-R477 IonicContact OD1-CZ 3.77Å; D475-R477 PolarHBondContact OD1-N 2.97Å; D475-R477 VanDerWaalsContact OD1-N 3.07Å; D475-R477 IonicContact OD1-NE 3.29Å; D475-R477 PolarHBondContact OD1-NE 2.82Å; D475-R477 IonicContact OD2-CZ 3.2Å; D475-R477 IonicContact OD2-NE 3.46Å; D475-R477 PolarHBondContact OD2-NE 3.11Å; D475-R477 IonicContact OD2-NH2 2.72Å; D475-R477 PolarHBondContact OD2-NH2 2.82Å; R477-E479 IonicContact CZ-OE1 2.75Å; R477-E479 IonicContact NH1-OE1 3.65Å; R477-E479 PolarHBondContact NH1-OE1 3.15Å
478	N	94.4	Very high	89.9	Confident	98 Å²	98	99.1 Å²	99.1	52%	0.524	51%	0.507	S	S	.	.			trans	-122.6	113.3	164.9	-175.1	-32	0	0	0	107.6	E480 V481	N478-E480 WeakPolarHBondContact OD1-CA 3.45Å; N478-E480 WeakPolarHBondContact OD1-CB 3.43Å; N478-E480 PolarHBondContact OD1-N 2.84Å; N478-V481 HydrophobicContact CB-CG2 4.49Å; N478-V481 PolarHBondContact OD1-N 2.96Å
479	E	92.4	Very high	89.9	Confident	157 Å²	157	97.4 Å²	97.4	73%	0.734	49%	0.493	S	S	*	.	S	Bend	trans	-96	-1.4	179.4	-61.2	-171.6	179.6	0	0	112.6	R477	R477-E479 IonicContact CZ-OE1 2.75Å; R477-E479 IonicContact NH1-OE1 3.65Å; R477-E479 PolarHBondContact NH1-OE1 3.15Å
480	E	91.9	Very high	90	Very high	178 Å²	178	98 Å²	98	83%	0.832	50%	0.495	S	S	*	.	S	Bend	trans	-84.4	-22.5	176.9	-51.8	-177.3	149.7	0	0	112.4	N478 D482	N478-E480 WeakPolarHBondContact OD1-CA 3.45Å; N478-E480 WeakPolarHBondContact OD1-CB 3.43Å; N478-E480 PolarHBondContact OD1-N 2.84Å; E480-D482 PolarHBondContact O-N 2.89Å; E480-D482 VanDerWaalsContact O-N 3.16Å
481	V	92.3	Very high	90	Very high	98 Å²	98	98 Å²	98	59%	0.594	49%	0.49	S	S	*	.			trans	-77.8	99	177.8	177.6	0	0	0	0	110.3	N478 P483	N478-V481 HydrophobicContact CB-CG2 4.49Å; N478-V481 PolarHBondContact OD1-N 2.96Å; V481-P483 HydrophobicContact CG1-CG 4.31Å; V481-P483 WeakPolarHBondContact O-CD 3.39Å
482	D	89.6	Confident	89.9	Confident	75 Å²	75	93.3 Å²	93.3	40%	0.401	47%	0.465	S	S	.	.			trans	-105.4	99.1	166.2	-178.9	-9.7	0	0	0	110.7	E480 V484 A485 S486	E480-D482 PolarHBondContact O-N 2.89Å; E480-D482 VanDerWaalsContact O-N 3.16Å; D482-V484 PolarHBondContact O-N 2.92Å; D482-V484 WeakPolarHBondContact OD1-CA 3.38Å; D482-V484 WeakPolarHBondContact OD1-CB 3.44Å; D482-V484 PolarHBondContact OD1-N 3.4Å; D482-A485 HydrophobicContact CB-CB 3.89Å; D482-A485 PolarHBondContact O-N 2.78Å; D482-A485 PolarHBondContact OD1-N 3.26Å; D482-A485 WeakPolarHBondContact OD2-CB 3.47Å; D482-S486 PolarHBondContact O-N 2.85Å; D482-S486 PolarHBondContact O-OG 2.95Å
483	P	88.4	Confident	90	Very high	86 Å²	86	88.8 Å²	88.8	56%	0.558	44%	0.444	S	S	*	.	H	α-helix	trans	-62.9	-21.7	178.8	-22.5	34.3	0	0	0	114.2	V481 S487	V481-P483 HydrophobicContact CG1-CG 4.31Å; V481-P483 WeakPolarHBondContact O-CD 3.39Å; P483-S487 WeakPolarHBondContact O-CB 3.34Å; P483-S487 PolarHBondContact O-N 3.2Å; P483-S487 VanDerWaalsContact O-N 3.14Å; P483-S487 PolarHBondContact O-OG 3.1Å
484	V	85.5	Confident	90	Very high	88 Å²	88	88 Å²	88	53%	0.533	44%	0.436	S	S	.	.	H	α-helix	trans	-79.9	-45.8	-180	-175.8	0	0	0	0	109.8	D482 S487 A488 L528	D482-V484 PolarHBondContact O-N 2.92Å; D482-V484 WeakPolarHBondContact OD1-CA 3.38Å; D482-V484 WeakPolarHBondContact OD1-CB 3.44Å; D482-V484 PolarHBondContact OD1-N 3.4Å; V484-S487 PolarHBondContact O-N 2.89Å; V484-A488 PolarHBondContact O-N 2.91Å; V484-A488 VanDerWaalsContact O-N 3.08Å; V484-L528 HydrophobicContact CG1-CD1 4.13Å; V484-L528 HydrophobicContact CG1-CD2 4.27Å
485	A	85.1	Confident	89.9	Confident	14 Å²	14	85.9 Å²	85.9	12%	0.116	43%	0.427	C	S	.	.	H	α-helix	trans	-59.3	-51.8	173.1	0	0	0	0	0	111.4	D482 S487 A488 E489	D482-A485 HydrophobicContact CB-CB 3.89Å; D482-A485 PolarHBondContact O-N 2.78Å; D482-A485 PolarHBondContact OD1-N 3.26Å; D482-A485 WeakPolarHBondContact OD2-CB 3.47Å; A485-S487 VanDerWaalsContact C-N 3.31Å; A485-S487 PolarHBondContact O-N 3.32Å; A485-A488 PolarHBondContact O-N 2.78Å; A485-A488 VanDerWaalsContact O-N 3.08Å; A485-E489 PolarHBondContact O-N 3.29Å
486	S	88.7	Confident	89.7	Confident	68 Å²	68	82.9 Å²	82.9	48%	0.476	41%	0.412	S	S	.	.	H	α-helix	trans	-62.6	-35.7	179.9	-54.4	0	0	0	0	112.8	D482 A488 E489 Y490	D482-S486 PolarHBondContact O-N 2.85Å; D482-S486 PolarHBondContact O-OG 2.95Å; S486-A488 VanDerWaalsContact C-N 3.34Å; S486-E489 PolarHBondContact O-N 3.39Å; S486-Y490 WeakPolarHBondContact O-CB 3.31Å; S486-Y490 PolarHBondContact O-N 2.83Å
487	S	88.1	Confident	89.3	Confident	74 Å²	74	84.1 Å²	84.1	52%	0.517	42%	0.423	S	S	.	.	H	α-helix	trans	-67.1	-34.2	174.9	-64.2	0	0	0	0	112.7	P483 V484 A485 E491	P483-S487 WeakPolarHBondContact O-CB 3.34Å; P483-S487 PolarHBondContact O-N 3.2Å; P483-S487 VanDerWaalsContact O-N 3.14Å; P483-S487 PolarHBondContact O-OG 3.1Å; V484-S487 PolarHBondContact O-N 2.89Å; A485-S487 VanDerWaalsContact C-N 3.31Å; A485-S487 PolarHBondContact O-N 3.32Å; S487-E491 WeakPolarHBondContact O-CB 3.49Å; S487-E491 PolarHBondContact O-N 2.93Å
488	A	85.9	Confident	89	Confident	10 Å²	10	82.1 Å²	82.1	8%	0.083	42%	0.418	C	S	.	.	H	α-helix	trans	-73.8	-35.4	177.7	0	0	0	0	0	112.3	V484 A485 S486 L492 K530	V484-A488 PolarHBondContact O-N 2.91Å; V484-A488 VanDerWaalsContact O-N 3.08Å; A485-A488 PolarHBondContact O-N 2.78Å; A485-A488 VanDerWaalsContact O-N 3.08Å; S486-A488 VanDerWaalsContact C-N 3.34Å; A488-L492 WeakPolarHBondContact O-CG 3.16Å; A488-L492 PolarHBondContact O-N 3Å; A488-K530 HydrophobicContact CB-CB 4.08Å; A488-K530 HydrophobicContact CB-CG 4.17Å
489	E	87.6	Confident	88.8	Confident	56 Å²	56	78.6 Å²	78.6	26%	0.262	40%	0.399	S	S	.	.	H	α-helix	trans	-66.1	-52	172.7	-70.1	171.8	138.1	0	0	111.2	A485 S486 E491 L492 E493 K530	A485-E489 PolarHBondContact O-N 3.29Å; S486-E489 PolarHBondContact O-N 3.39Å; E489-E491 VanDerWaalsContact C-N 3.29Å; E489-E491 PolarHBondContact O-N 3.42Å; E489-L492 WeakPolarHBondContact O-CA 3.49Å; E489-L492 WeakPolarHBondContact O-CB 3.34Å; E489-L492 PolarHBondContact O-N 3.4Å; E489-E493 WeakPolarHBondContact O-CG 3.32Å; E489-E493 PolarHBondContact O-N 2.96Å; E489-K530 VanDerWaalsContact CD-NZ 3.31Å; E489-K530 HydrophobicContact CG-CD 3.75Å; E489-K530 HydrophobicContact CG-CG 4.29Å; E489-K530 WeakPolarHBondContact OE1-CE 3.45Å; E489-K530 IonicContact OE1-NZ 3.26Å; E489-K530 PolarHBondContact OE1-NZ 3.48Å; E489-K530 IonicContact OE2-NZ 2.76Å
490	Y	89.9	Confident	88.8	Confident	135 Å²	135	76.2 Å²	76.2	53%	0.529	39%	0.388	S	S	.	.	H	α-helix	trans	-57.9	-38.4	179.4	178.9	-112.6	0	0	0	113.2	S486 L492 E493 K494	S486-Y490 WeakPolarHBondContact O-CB 3.31Å; S486-Y490 PolarHBondContact O-N 2.83Å; Y490-L492 PolarHBondContact O-N 3.18Å; Y490-E493 PolarHBondContact O-N 3.2Å; Y490-K494 HydrophobicContact CE1-CD 4.17Å; Y490-K494 WeakPolarHBondContact O-CB 3.32Å; Y490-K494 PolarHBondContact O-N 3.11Å
491	E	88.6	Confident	88.9	Confident	48 Å²	48	72 Å²	72	22%	0.224	37%	0.371	C	S	.	.	H	α-helix	trans	-68.9	-18.3	174.7	-91.3	-68.6	135.7	0	0	114	S487 E489 K494 R495	S487-E491 WeakPolarHBondContact O-CB 3.49Å; S487-E491 PolarHBondContact O-N 2.93Å; E489-E491 VanDerWaalsContact C-N 3.29Å; E489-E491 PolarHBondContact O-N 3.42Å; E491-K494 IonicContact OE1-NZ 3.53Å; E491-K494 PolarHBondContact OE1-NZ 3.13Å; E491-R495 VanDerWaalsContact O-CD 3.27Å; E491-R495 WeakPolarHBondContact O-CD 3.26Å; E491-R495 WeakPolarHBondContact O-CG 3.44Å; E491-R495 PolarHBondContact O-NE 3.3Å; E491-R495 IonicContact OE2-CZ 3.69Å; E491-R495 IonicContact OE2-NE 2.73Å; E491-R495 IonicContact OE2-NH2 3.81Å; E491-R495 PolarHBondContact OE2-NH2 3.33Å
492	L	88.3	Confident	89.1	Confident	9 Å²	9	69.4 Å²	69.4	5%	0.047	35%	0.352	C	S	.	.	H	α-helix	trans	-86.6	-43.1	170.7	-67.3	167.2	0	0	0	111.5	A488 E489 Y490 K494 R495 V496 K530 V565	A488-L492 WeakPolarHBondContact O-CG 3.16Å; A488-L492 PolarHBondContact O-N 3Å; E489-L492 WeakPolarHBondContact O-CA 3.49Å; E489-L492 WeakPolarHBondContact O-CB 3.34Å; E489-L492 PolarHBondContact O-N 3.4Å; Y490-L492 PolarHBondContact O-N 3.18Å; L492-K494 VanDerWaalsContact C-N 3.34Å; L492-K494 PolarHBondContact O-N 2.96Å; L492-R495 WeakPolarHBondContact O-CA 3.21Å; L492-R495 WeakPolarHBondContact O-CB 3.39Å; L492-R495 PolarHBondContact O-N 3.37Å; L492-V496 PolarHBondContact O-N 2.87Å; L492-V496 VanDerWaalsContact O-N 3.1Å; L492-K530 HydrophobicContact CD1-CB 4.49Å; L492-V565 HydrophobicContact CB-CG1 3.86Å
493	E	90.4	Very high	89.4	Confident	96 Å²	96	70.7 Å²	70.7	45%	0.449	36%	0.364	S	S	.	.	H	α-helix	trans	-55.2	-49.2	174.8	-66.9	171.4	158.2	0	0	111.2	E489 Y490 R495 V496 E497 V565	E489-E493 WeakPolarHBondContact O-CG 3.32Å; E489-E493 PolarHBondContact O-N 2.96Å; Y490-E493 PolarHBondContact O-N 3.2Å; E493-R495 PolarHBondContact O-N 3.31Å; E493-V496 WeakPolarHBondContact O-CA 3.49Å; E493-V496 WeakPolarHBondContact O-CB 3.42Å; E493-V496 PolarHBondContact O-N 2.89Å; E493-E497 PolarHBondContact O-N 3Å; E493-V565 HydrophobicContact CG-CG1 3.91Å
494	K	90.4	Very high	89.8	Confident	69 Å²	69	66.6 Å²	66.6	30%	0.3	34%	0.338	S	S	.	.	H	α-helix	trans	-61.6	-7.9	174.4	-178.3	178.1	164.5	-160.9	0	115.1	Y490 E491 L492 K498	Y490-K494 HydrophobicContact CE1-CD 4.17Å; Y490-K494 WeakPolarHBondContact O-CB 3.32Å; Y490-K494 PolarHBondContact O-N 3.11Å; E491-K494 IonicContact OE1-NZ 3.53Å; E491-K494 PolarHBondContact OE1-NZ 3.13Å; L492-K494 VanDerWaalsContact C-N 3.34Å; L492-K494 PolarHBondContact O-N 2.96Å; K494-K498 VanDerWaalsContact O-CE 3.26Å; K494-K498 WeakPolarHBondContact O-CE 3.37Å
495	R	86.6	Confident	90.2	Very high	91 Å²	91	67.5 Å²	67.5	34%	0.343	34%	0.336	S	S	.	.	H	α-helix	trans	-95.5	-40.3	168.1	-64.9	166.9	-154.9	-170.1	2.5	110.6	E491 L492 E493 E497 K498	E491-R495 VanDerWaalsContact O-CD 3.27Å; E491-R495 WeakPolarHBondContact O-CD 3.26Å; E491-R495 WeakPolarHBondContact O-CG 3.44Å; E491-R495 PolarHBondContact O-NE 3.3Å; E491-R495 IonicContact OE2-CZ 3.69Å; E491-R495 IonicContact OE2-NE 2.73Å; E491-R495 IonicContact OE2-NH2 3.81Å; E491-R495 PolarHBondContact OE2-NH2 3.33Å; L492-R495 WeakPolarHBondContact O-CA 3.21Å; L492-R495 WeakPolarHBondContact O-CB 3.39Å; L492-R495 PolarHBondContact O-N 3.37Å; E493-R495 PolarHBondContact O-N 3.31Å; R495-E497 VanDerWaalsContact C-N 3.3Å; R495-E497 PolarHBondContact O-N 2.87Å; R495-K498 WeakPolarHBondContact O-CB 3.36Å; R495-K498 PolarHBondContact O-N 3.42Å
496	V	89.4	Confident	90.7	Very high	11 Å²	11	67 Å²	67	7%	0.067	33%	0.331	C	S	.	.	H	α-helix	trans	-59.1	-39.4	173.5	176.6	0	0	0	0	111.6	L492 E493 K498 L499 L501 Q555 V557 V565	L492-V496 PolarHBondContact O-N 2.87Å; L492-V496 VanDerWaalsContact O-N 3.1Å; E493-V496 WeakPolarHBondContact O-CA 3.49Å; E493-V496 WeakPolarHBondContact O-CB 3.42Å; E493-V496 PolarHBondContact O-N 2.89Å; V496-K498 PolarHBondContact O-N 3.21Å; V496-L499 WeakPolarHBondContact O-CB 3.4Å; V496-L499 PolarHBondContact O-N 2.94Å; V496-L501 HydrophobicContact CG1-CD2 3.89Å; V496-Q555 VanDerWaalsContact CG2-NE2 3.3Å; V496-V557 HydrophobicContact CG1-CB 4.38Å; V496-V557 HydrophobicContact CG1-CG1 3.74Å; V496-V557 HydrophobicContact CG1-CG2 3.65Å; V496-V557 HydrophobicContact CG2-CG2 4.3Å; V496-V565 HydrophobicContact CG2-CG1 4.16Å; V496-V565 HydrophobicContact CG2-CG2 3.94Å
497	E	88.4	Confident	90.9	Very high	145 Å²	145	70 Å²	70	68%	0.678	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-22.1	172.9	-70.9	-178	150	0	0	114.6	E493 R495	E493-E497 PolarHBondContact O-N 3Å; R495-E497 VanDerWaalsContact C-N 3.3Å; R495-E497 PolarHBondContact O-N 2.87Å
498	K	88.1	Confident	91.1	Very high	119 Å²	119	68.8 Å²	68.8	52%	0.517	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-13.9	-179.2	-58.7	173.8	-176.5	170.6	0	112.7	K494 R495 V496	K494-K498 VanDerWaalsContact O-CE 3.26Å; K494-K498 WeakPolarHBondContact O-CE 3.37Å; R495-K498 WeakPolarHBondContact O-CB 3.36Å; R495-K498 PolarHBondContact O-N 3.42Å; V496-K498 PolarHBondContact O-N 3.21Å
499	L	89.3	Confident	91.2	Very high	23 Å²	23	71 Å²	71	12%	0.12	33%	0.333	C	S	.	.	S	Bend	trans	-77.7	160.7	178.6	-57.6	-179.8	0	0	0	110.9	V496 Q555 E590	V496-L499 WeakPolarHBondContact O-CB 3.4Å; V496-L499 PolarHBondContact O-N 2.94Å; L499-Q555 HydrophobicContact CD1-CB 3.96Å; L499-E590 HydrophobicContact CD2-CG 3.66Å
500	E	92.4	Very high	91.2	Very high	108 Å²	108	78.2 Å²	78.2	51%	0.505	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	108.1	163.6	-168.7	171.5	166	0	0	108	R589 R591	E500-R589 PolarHBondContact N-O 2.67Å; E500-R589 PolarHBondContact O-N 2.85Å; E500-R591 HydrophobicContact CB-CG 4.33Å
501	L	94.7	Very high	90.9	Very high	90 Å²	90	79.3 Å²	79.3	47%	0.471	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125.7	179.9	-64.5	170.4	0	0	0	110	V496 V557 V586 I587	V496-L501 HydrophobicContact CG1-CD2 3.89Å; L501-V557 HydrophobicContact CD2-CB 4.35Å; L501-V557 HydrophobicContact CD2-CG1 4.34Å; L501-V557 HydrophobicContact CD2-CG2 3.81Å; L501-V586 HydrophobicContact CB-CG1 4.32Å; L501-V586 HydrophobicContact CD2-CG1 4.04Å; L501-I587 WeakPolarHBondContact CA-O 3.49Å
502	F	95.6	Very high	91	Very high	43 Å²	43	77.7 Å²	77.7	19%	0.189	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	141.3	175.2	62.9	-78.7	0	0	0	111.7	V504 I587 R589	F502-V504 HydrophobicContact CD2-CG2 3.67Å; F502-V504 HydrophobicContact CE2-CG2 3.44Å; F502-V504 VanDerWaalsContact CE2-CG2 3.44Å; F502-I587 HydrophobicContact CD1-CB 4.42Å; F502-I587 WeakPolarHBondContact CD1-O 3.45Å; F502-I587 HydrophobicContact CE1-CB 3.91Å; F502-I587 HydrophobicContact CE1-CG2 3.68Å; F502-I587 HydrophobicContact CE2-CB 4.03Å; F502-I587 HydrophobicContact CE2-CG2 4.24Å; F502-I587 HydrophobicContact CZ-CB 3.69Å; F502-I587 HydrophobicContact CZ-CG2 3.45Å; F502-I587 VanDerWaalsContact CZ-CG2 3.45Å; F502-I587 PolarHBondContact N-O 3.27Å; F502-I587 PolarHBondContact O-N 3.24Å; F502-R589 HydrophobicContact CE1-CB 3.78Å
503	P	96.2	Very high	91.2	Very high	102 Å²	102	77.9 Å²	77.9	66%	0.662	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	142	175.8	31	-33.9	0	0	0	111.4	F585	P503-F585 CarbonylContact C-O 3.51Å; P503-F585 WeakPolarHBondContact CA-O 3.3Å
504	V	96.2	Very high	91.3	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	136	171.2	179.1	0	0	0	0	108.6	F502 R549 I550 F585 I587	F502-V504 HydrophobicContact CD2-CG2 3.67Å; F502-V504 HydrophobicContact CE2-CG2 3.44Å; F502-V504 VanDerWaalsContact CE2-CG2 3.44Å; V504-R549 HydrophobicContact CG1-CB 4.26Å; V504-R549 HydrophobicContact CG2-CB 3.99Å; V504-I550 HydrophobicContact CB-CG1 4.47Å; V504-I550 HydrophobicContact CG1-CD1 4.04Å; V504-I550 HydrophobicContact CG1-CG1 3.93Å; V504-I550 HydrophobicContact CG2-CG1 4.35Å; V504-F585 HydrophobicContact CB-CB 4.28Å; V504-F585 PolarHBondContact N-O 3.49Å; V504-F585 PolarHBondContact O-N 2.94Å; V504-I587 HydrophobicContact CB-CG1 4.24Å; V504-I587 HydrophobicContact CG2-CB 4.48Å; V504-I587 HydrophobicContact CG2-CG1 3.83Å
505	E	95.1	Very high	91.5	Very high	107 Å²	107	71.6 Å²	71.6	50%	0.5	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	117.6	175	-55.3	-163.5	129.3	0	0	108.5	R549 V582 V583 R584	E505-R549 PolarHBondContact O-NH2 3.12Å; E505-V582 HydrophobicContact CB-CG1 4.07Å; E505-V583 WeakPolarHBondContact CA-O 3.34Å; E505-R584 HydrophobicContact CG-CG 4.07Å; E505-R584 WeakPolarHBondContact OE1-CD 3.47Å; E505-R584 WeakPolarHBondContact OE1-CG 3.49Å
506	L	94.6	Very high	91.8	Very high	4 Å²	4	69.7 Å²	69.7	2%	0.021	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125	-173.8	-156.9	83.8	0	0	0	110.5	L513 A543 A544 D547 V583 F585	L506-L513 HydrophobicContact CD2-CB 4.3Å; L506-L513 HydrophobicContact CD2-CD2 3.88Å; L506-L513 WeakPolarHBondContact CD2-O 3.17Å; L506-A543 HydrophobicContact CD2-CB 3.77Å; L506-A543 HydrophobicContact CG-CB 4.11Å; L506-A544 HydrophobicContact CD2-CB 4.17Å; L506-D547 HydrophobicContact CD1-CB 3.49Å; L506-D547 VanDerWaalsContact CD1-CB 3.49Å; L506-V583 PolarHBondContact N-O 3.37Å; L506-V583 PolarHBondContact O-N 2.68Å; L506-F585 HydrophobicContact CB-CD2 4.31Å; L506-F585 HydrophobicContact CB-CE2 3.8Å
507	E	92.7	Very high	92	Very high	131 Å²	131	70.1 Å²	70.1	61%	0.612	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	130.9	168	-168.4	168	-155.6	0	0	109.8	A543 V582	E507-A543 WeakPolarHBondContact O-CB 3.29Å; E507-V582 HydrophobicContact CB-CG2 4.43Å; E507-V582 HydrophobicContact CG-CG2 4.48Å
508	K	92.9	Very high	92.1	Very high	48 Å²	48	64.5 Å²	64.5	21%	0.209	33%	0.331	C	S	.	.			trans	-92.1	115.3	-176.1	-174.9	170.6	176.8	172.5	0	110.9	L513 L576 R577 T579 G581 V583	K508-L513 HydrophobicContact CB-CD2 3.91Å; K508-L513 HydrophobicContact CD-CD2 3.98Å; K508-L513 HydrophobicContact CD-CG 4.02Å; K508-L513 HydrophobicContact CG-CD2 3.88Å; K508-L513 HydrophobicContact CG-CG 4.08Å; K508-L576 PolarHBondContact NZ-O 2.95Å; K508-R577 PolarHBondContact NZ-O 3.36Å; K508-T579 WeakPolarHBondContact CD-O 3.29Å; K508-T579 WeakPolarHBondContact CE-O 3.4Å; K508-T579 PolarHBondContact NZ-O 3.43Å; K508-T579 PolarHBondContact NZ-OG1 3.02Å; K508-T579 VanDerWaalsContact NZ-OG1 3.11Å; K508-G581 WeakPolarHBondContact CB-O 3.25Å; K508-G581 PolarHBondContact N-O 2.89Å; K508-V583 HydrophobicContact CB-CG2 4.26Å; K508-V583 HydrophobicContact CD-CG2 4.42Å
509	D	88.8	Confident	92.2	Very high	55 Å²	55	59.6 Å²	59.6	29%	0.294	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-73.5	175.9	-178.3	-65.3	-30.4	0	0	0	112.5	D511 G512 A543 R546	D509-D511 PolarHBondContact O-N 3.03Å; D509-G512 PolarHBondContact N-O 2.99Å; D509-G512 WeakPolarHBondContact O-CA 3.2Å; D509-G512 PolarHBondContact O-N 3.06Å; D509-A543 WeakPolarHBondContact OD2-CB 3.47Å; D509-A543 PolarHBondContact OD2-N 2.93Å; D509-R546 IonicContact OD1-CZ 2.7Å; D509-R546 IonicContact OD1-NH2 2.69Å; D509-R546 PolarHBondContact OD1-NH2 3.45Å; D509-R546 IonicContact OD2-CZ 2.62Å; D509-R546 IonicContact OD2-NE 3.49Å; D509-R546 PolarHBondContact OD2-NE 2.97Å; D509-R546 IonicContact OD2-NH2 3.66Å; D509-R546 PolarHBondContact OD2-NH2 2.89Å
510	E	86.6	Confident	92	Very high	208 Å²	208	60.1 Å²	60.1	97%	0.972	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-35.6	166.8	-62.3	-168.1	158.6	0	0	111.8	G512	E510-G512 PolarHBondContact O-N 3.43Å
511	D	84.6	Confident	91.2	Very high	158 Å²	158	56.3 Å²	56.3	85%	0.845	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	1.1	171.3	-65.8	-57.6	0	0	0	113.5	D509	D509-D511 PolarHBondContact O-N 3.03Å
512	G	90.8	Very high	89.9	Confident	15 Å²	15	55.1 Å²	55.1	16%	0.155	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	85.8	-142.5	177.8	0	0	0	0	0	114.5	D509 E510	D509-G512 PolarHBondContact N-O 2.99Å; D509-G512 WeakPolarHBondContact O-CA 3.2Å; D509-G512 PolarHBondContact O-N 3.06Å; E510-G512 PolarHBondContact O-N 3.43Å
513	L	92.4	Very high	88.2	Confident	12 Å²	12	54.1 Å²	54.1	6%	0.063	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-9.7	-170.5	-65.1	167.9	0	0	0	114.1	L506 K508 I515 A544 L576 V583 F585	L506-L513 HydrophobicContact CD2-CB 4.3Å; L506-L513 HydrophobicContact CD2-CD2 3.88Å; L506-L513 WeakPolarHBondContact CD2-O 3.17Å; K508-L513 HydrophobicContact CB-CD2 3.91Å; K508-L513 HydrophobicContact CD-CD2 3.98Å; K508-L513 HydrophobicContact CD-CG 4.02Å; K508-L513 HydrophobicContact CG-CD2 3.88Å; K508-L513 HydrophobicContact CG-CG 4.08Å; L513-I515 VanDerWaalsContact C-N 3.29Å; L513-I515 HydrophobicContact CB-CG1 4.01Å; L513-I515 PolarHBondContact O-N 2.94Å; L513-A544 WeakPolarHBondContact O-CB 3.36Å; L513-A544 PolarHBondContact O-N 2.94Å; L513-L576 HydrophobicContact CD1-CB 4.16Å; L513-L576 HydrophobicContact CD1-CD2 3.94Å; L513-L576 WeakPolarHBondContact CD1-O 3.42Å; L513-V583 HydrophobicContact CD2-CB 4.32Å; L513-V583 HydrophobicContact CD2-CG2 4.03Å; L513-F585 HydrophobicContact CD1-CZ 4.07Å; L513-F585 HydrophobicContact CD2-CE2 4.38Å; L513-F585 HydrophobicContact CD2-CZ 4.08Å
514	G	92.6	Very high	86.1	Confident	7 Å²	7	52.3 Å²	52.3	7%	0.072	30%	0.297	C	S	.	.	S	Bend	trans	67.8	20.1	-177.2	0	0	0	0	0	115.4	I539	G514-I539 PolarHBondContact O-N 2.79Å
515	I	94.1	Very high	84.2	Confident	27 Å²	27	60.8 Å²	60.8	14%	0.138	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.8	178.9	60.8	177	0	0	0	112.8	L513 V535 A544 I550 I556 L576 F585	L513-I515 VanDerWaalsContact C-N 3.29Å; L513-I515 HydrophobicContact CB-CG1 4.01Å; L513-I515 PolarHBondContact O-N 2.94Å; I515-V535 HydrophobicContact CG2-CG1 4.39Å; I515-A544 HydrophobicContact CG2-CB 3.4Å; I515-A544 VanDerWaalsContact CG2-CB 3.4Å; I515-I550 HydrophobicContact CG2-CG2 4.46Å; I515-I556 HydrophobicContact CD1-CD1 3.93Å; I515-L576 HydrophobicContact CD1-CD2 4.44Å; I515-F585 HydrophobicContact CD1-CE1 4.41Å
516	S	93.3	Very high	82.2	Confident	50 Å²	50	59.5 Å²	59.5	35%	0.35	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	140.1	165.7	-171.1	0	0	0	0	109.7	K536 T537	S516-K536 PolarHBondContact O-N 2.88Å; S516-T537 WeakPolarHBondContact CB-OG1 3.31Å; S516-T537 PolarHBondContact N-O 3.26Å; S516-T537 PolarHBondContact O-N 2.87Å
517	I	93.5	Very high	80.4	Confident	20 Å²	20	62.3 Å²	62.3	10%	0.103	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	147.9	-178.2	58.2	156.9	0	0	0	113.4	I533 F534 I556 Q569 A572 A573 L576	I517-I533 HydrophobicContact CB-CG2 3.92Å; I517-I533 HydrophobicContact CD1-CG2 3.77Å; I517-I533 HydrophobicContact CG1-CG2 4.47Å; I517-I533 HydrophobicContact CG2-CG2 3.9Å; I517-F534 CarbonylContact C-O 3.57Å; I517-F534 VanDerWaalsContact CA-O 3.28Å; I517-F534 WeakPolarHBondContact CA-O 3.48Å; I517-I556 HydrophobicContact CG2-CD1 3.72Å; I517-Q569 HydrophobicContact CD1-CG 4.25Å; I517-Q569 PolarHBondContact O-NE2 2.83Å; I517-A572 HydrophobicContact CD1-CB 3.81Å; I517-A573 HydrophobicContact CD1-CB 4.3Å; I517-L576 HydrophobicContact CD1-CD1 3.9Å; I517-L576 HydrophobicContact CG1-CD1 4.28Å; I517-L576 HydrophobicContact CG2-CD1 3.69Å
518	I	89.9	Confident	79	Confident	28 Å²	28	58.6 Å²	58.6	14%	0.144	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.3	166.9	-170.4	168	0	0	0	109.2	M520 F534 K536 I602	I518-M520 HydrophobicContact CG1-CG 4.28Å; I518-F534 HydrophobicContact CG2-CB 3.98Å; I518-F534 PolarHBondContact N-O 2.95Å; I518-F534 PolarHBondContact O-N 3.49Å; I518-K536 HydrophobicContact CB-CB 4Å; I518-K536 HydrophobicContact CB-CD 4.31Å; I518-K536 HydrophobicContact CB-CG 4.37Å; I518-K536 HydrophobicContact CG2-CB 3.99Å; I518-K536 HydrophobicContact CG2-CG 4.49Å; I518-I602 HydrophobicContact CG2-CG1 4.42Å
519	G	89.6	Confident	78.1	Confident	15 Å²	15	62.2 Å²	62.2	16%	0.155	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	129.5	172	0	0	0	0	0	110.3	G532	G519-G532 WeakPolarHBondContact CA-O 3.46Å
520	M	85.3	Confident	78.1	Confident	35 Å²	35	62.1 Å²	62.1	17%	0.172	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	129.4	177.5	-69.5	-179.4	68.3	0	0	110.5	I518 G532 F534 V598 L601 I602	I518-M520 HydrophobicContact CG1-CG 4.28Å; M520-G532 PolarHBondContact N-O 3.4Å; M520-G532 PolarHBondContact O-N 3.32Å; M520-F534 HydrophobicContact CB-CD2 4.18Å; M520-F534 HydrophobicContact CB-CE2 4.17Å; M520-V598 HydrophobicContact CB-CG1 4.38Å; M520-V598 HydrophobicContact CE-CG1 3.89Å; M520-V598 HydrophobicContact SD-CG1 4.03Å; M520-L601 HydrophobicContact CE-CB 3.6Å; M520-L601 HydrophobicContact CE-CD2 4.1Å; M520-I602 HydrophobicContact CE-CG1 4.3Å; M520-I602 HydrophobicContact SD-CD1 4.03Å; M520-I602 HydrophobicContact SD-CG1 3.31Å; M520-I602 WeakPolarHBondContact SD-CG1 3.4Å
521	G	76.5	Confident	78.2	Confident	27 Å²	27	53.2 Å²	53.2	28%	0.278	34%	0.337	S	S	.	.			trans	-166	178.6	-174.6	0	0	0	0	0	113.8	G523	G521-G523 PolarHBondContact O-N 2.85Å
522	V	66.6	Low	78.6	Confident	66 Å²	66	45.7 Å²	45.7	40%	0.4	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	116.5	-177.3	-174.9	0	0	0	0	109.1
523	G	59	Low	78.7	Confident	22 Å²	22	45 Å²	45	23%	0.227	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.5	18.3	175.4	0	0	0	0	0	116	G521 D525 A526 G527 L528	G521-G523 PolarHBondContact O-N 2.85Å; G523-D525 VanDerWaalsContact C-N 3.27Å; G523-D525 PolarHBondContact O-N 3.24Å; G523-A526 CarbonylContact O-C 3.55Å; G523-A526 WeakPolarHBondContact O-CA 3.46Å; G523-A526 WeakPolarHBondContact O-CB 3.07Å; G523-A526 PolarHBondContact O-N 2.8Å; G523-G527 PolarHBondContact O-N 2.85Å; G523-G527 VanDerWaalsContact O-N 3.15Å; G523-L528 PolarHBondContact O-N 2.99Å
524	A	54.1	Low	78.8	Confident	64 Å²	64	45 Å²	45	53%	0.529	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-53.4	-43	171.3	0	0	0	0	0	112.3	A526 G527 L531	A524-A526 PolarHBondContact O-N 3.4Å; A524-G527 PolarHBondContact O-N 3.29Å; A524-L531 HydrophobicContact CB-CD2 4.41Å
525	D	55.2	Low	78.9	Confident	178 Å²	178	44.7 Å²	44.7	95%	0.952	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-71	-12.1	174.8	-59.5	-45.8	0	0	0	114	G523	G523-D525 VanDerWaalsContact C-N 3.27Å; G523-D525 PolarHBondContact O-N 3.24Å
526	A	53.1	Low	78.7	Confident	79 Å²	79	45.2 Å²	45.2	65%	0.653	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-104.3	-0.5	-178.5	0	0	0	0	0	113.4	G523 A524	G523-A526 CarbonylContact O-C 3.55Å; G523-A526 WeakPolarHBondContact O-CA 3.46Å; G523-A526 WeakPolarHBondContact O-CB 3.07Å; G523-A526 PolarHBondContact O-N 2.8Å; A524-A526 PolarHBondContact O-N 3.4Å
527	G	57.2	Low	78.6	Confident	64 Å²	64	45.5 Å²	45.5	66%	0.66	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	14	-177.5	0	0	0	0	0	115	G523 A524 E529	G523-G527 PolarHBondContact O-N 2.85Å; G523-G527 VanDerWaalsContact O-N 3.15Å; A524-G527 PolarHBondContact O-N 3.29Å; G527-E529 PolarHBondContact O-N 3.02Å
528	L	62.5	Low	78.5	Confident	53 Å²	53	46.2 Å²	46.2	28%	0.277	29%	0.292	S	S	.	.			trans	-86.4	104.3	170.4	-74.8	161.5	0	0	0	108.8	V484 G523 K530	V484-L528 HydrophobicContact CG1-CD1 4.13Å; V484-L528 HydrophobicContact CG1-CD2 4.27Å; G523-L528 PolarHBondContact O-N 2.99Å; L528-K530 PolarHBondContact O-N 3.24Å
529	E	74.7	Confident	78.6	Confident	123 Å²	123	49.2 Å²	49.2	58%	0.575	31%	0.308	S	S	*	.			trans	-75.6	23	-177.5	-57.4	-167.3	-174.9	0	0	114.3	G527 L531 V567 T568	G527-E529 PolarHBondContact O-N 3.02Å; E529-L531 PolarHBondContact O-N 2.99Å; E529-V567 CarbonylContact O-C 3.59Å; E529-T568 HydrophobicContact CB-CG2 3.66Å; E529-T568 WeakPolarHBondContact O-CA 3.38Å; E529-T568 PolarHBondContact O-N 3.06Å; E529-T568 WeakPolarHBondContact OE2-CB 3.5Å; E529-T568 VanDerWaalsContact OE2-CG2 3.3Å; E529-T568 WeakPolarHBondContact OE2-CG2 3.42Å
530	K	88.3	Confident	78.6	Confident	54 Å²	54	56.7 Å²	56.7	24%	0.235	34%	0.339	C	S	.	.			trans	-86.2	100.9	179.4	-59.5	-61	-170.4	175.2	0	109.9	A488 E489 L492 L528 G566	A488-K530 HydrophobicContact CB-CB 4.08Å; A488-K530 HydrophobicContact CB-CG 4.17Å; E489-K530 VanDerWaalsContact CD-NZ 3.31Å; E489-K530 HydrophobicContact CG-CD 3.75Å; E489-K530 HydrophobicContact CG-CG 4.29Å; E489-K530 WeakPolarHBondContact OE1-CE 3.45Å; E489-K530 IonicContact OE1-NZ 3.26Å; E489-K530 PolarHBondContact OE1-NZ 3.48Å; E489-K530 IonicContact OE2-NZ 2.76Å; L492-K530 HydrophobicContact CD1-CB 4.49Å; L528-K530 PolarHBondContact O-N 3.24Å; K530-G566 WeakPolarHBondContact CA-O 3.41Å; K530-G566 WeakPolarHBondContact CD-O 3.5Å
531	L	89.9	Confident	78.8	Confident	20 Å²	20	57.5 Å²	57.5	11%	0.105	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	148.6	-172.4	-49.8	173.2	0	0	0	112	A524 E529 G566 V567 Q569	A524-L531 HydrophobicContact CB-CD2 4.41Å; E529-L531 PolarHBondContact O-N 2.99Å; L531-G566 CarbonylContact O-C 3.59Å; L531-G566 WeakPolarHBondContact O-CA 2.91Å; L531-G566 PolarHBondContact O-N 3.1Å; L531-V567 WeakPolarHBondContact CB-O 3.49Å; L531-V567 PolarHBondContact N-O 3.08Å; L531-V567 VanDerWaalsContact N-O 3.14Å; L531-V567 PolarHBondContact O-N 2.98Å; L531-Q569 HydrophobicContact CD1-CB 4.2Å
532	G	91.7	Very high	79.4	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	143.2	155.4	0	0	0	0	0	109.6	G519 M520 F534	G519-G532 WeakPolarHBondContact CA-O 3.46Å; M520-G532 PolarHBondContact N-O 3.4Å; M520-G532 PolarHBondContact O-N 3.32Å; G532-F534 WeakPolarHBondContact O-CD2 3.37Å
533	I	93.9	Very high	80.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	119.2	-175.7	-56.9	-60.2	0	0	0	109.6	I517 Q555 I556 L564 V567 A572	I517-I533 HydrophobicContact CB-CG2 3.92Å; I517-I533 HydrophobicContact CD1-CG2 3.77Å; I517-I533 HydrophobicContact CG1-CG2 4.47Å; I517-I533 HydrophobicContact CG2-CG2 3.9Å; I533-Q555 CarbonylContact O-C 3.59Å; I533-Q555 WeakPolarHBondContact O-CA 3.27Å; I533-Q555 WeakPolarHBondContact O-CG 3.37Å; I533-I556 HydrophobicContact CG2-CB 4.43Å; I533-I556 HydrophobicContact CG2-CD1 4.36Å; I533-I556 PolarHBondContact O-N 3.44Å; I533-L564 HydrophobicContact CB-CB 4.44Å; I533-L564 HydrophobicContact CG1-CB 4.12Å; I533-L564 WeakPolarHBondContact CG1-O 3.35Å; I533-V567 HydrophobicContact CD1-CG2 4.15Å; I533-V567 HydrophobicContact CG1-CG2 3.84Å; I533-A572 HydrophobicContact CB-CB 4.48Å; I533-A572 HydrophobicContact CD1-CB 3.58Å; I533-A572 HydrophobicContact CG1-CB 3.62Å; I533-A572 HydrophobicContact CG2-CB 4.12Å
534	F	93.8	Very high	82.3	Confident	13 Å²	13	52.6 Å²	52.6	6%	0.057	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	149.3	-175.4	-62	-94.8	0	0	0	111.7	I517 I518 M520 G532 K536 D554 Q555 V598 I602	I517-F534 CarbonylContact C-O 3.57Å; I517-F534 VanDerWaalsContact CA-O 3.28Å; I517-F534 WeakPolarHBondContact CA-O 3.48Å; I518-F534 HydrophobicContact CG2-CB 3.98Å; I518-F534 PolarHBondContact N-O 2.95Å; I518-F534 PolarHBondContact O-N 3.49Å; M520-F534 HydrophobicContact CB-CD2 4.18Å; M520-F534 HydrophobicContact CB-CE2 4.17Å; G532-F534 WeakPolarHBondContact O-CD2 3.37Å; F534-K536 PolarHBondContact O-N 3.33Å; F534-D554 CarbonylContact C-O 3.56Å; F534-D554 VanDerWaalsContact CA-O 3.31Å; F534-D554 WeakPolarHBondContact CA-O 3.35Å; F534-Q555 HydrophobicContact CD1-CB 3.76Å; F534-Q555 HydrophobicContact CD1-CG 3.99Å; F534-Q555 HydrophobicContact CE1-CB 3.56Å; F534-Q555 HydrophobicContact CE1-CG 3.66Å; F534-Q555 HydrophobicContact CE2-CG 4.32Å; F534-Q555 HydrophobicContact CG-CG 4.46Å; F534-Q555 HydrophobicContact CZ-CB 4.23Å; F534-Q555 HydrophobicContact CZ-CG 3.82Å; F534-V598 HydrophobicContact CD1-CG1 4.46Å; F534-V598 HydrophobicContact CD2-CG1 4.33Å; F534-V598 HydrophobicContact CE1-CG1 3.96Å; F534-V598 HydrophobicContact CE2-CG1 3.84Å; F534-V598 HydrophobicContact CZ-CG1 3.64Å; F534-I602 HydrophobicContact CB-CD1 3.68Å; F534-I602 HydrophobicContact CD1-CD1 4Å; F534-I602 HydrophobicContact CG-CD1 3.83Å
535	V	94	Very high	84.1	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	108.7	175.3	-179.8	0	0	0	0	109.4	I515 V538 I550 K551 V552 N553 D554 I556	I515-V535 HydrophobicContact CG2-CG1 4.39Å; V535-V538 HydrophobicContact CG1-CG2 4.04Å; V535-I550 HydrophobicContact CG1-CG2 4.42Å; V535-I550 HydrophobicContact CG2-CG2 3.82Å; V535-K551 WeakPolarHBondContact CB-O 3.08Å; V535-K551 WeakPolarHBondContact CG1-O 3.41Å; V535-V552 WeakPolarHBondContact O-CA 3.27Å; V535-N553 PolarHBondContact O-N 3.42Å; V535-D554 HydrophobicContact CG2-CB 4.26Å; V535-D554 PolarHBondContact N-O 3.32Å; V535-I556 HydrophobicContact CG2-CD1 4.19Å; V535-I556 HydrophobicContact CG2-CG1 4.04Å
536	K	91.6	Very high	85.9	Confident	38 Å²	38	51.9 Å²	51.9	17%	0.165	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-44.5	179.9	-174.3	-178.6	173.4	-179	0	112.2	S516 I518 F534 V552 L606 E609	S516-K536 PolarHBondContact O-N 2.88Å; I518-K536 HydrophobicContact CB-CB 4Å; I518-K536 HydrophobicContact CB-CD 4.31Å; I518-K536 HydrophobicContact CB-CG 4.37Å; I518-K536 HydrophobicContact CG2-CB 3.99Å; I518-K536 HydrophobicContact CG2-CG 4.49Å; F534-K536 PolarHBondContact O-N 3.33Å; K536-V552 WeakPolarHBondContact O-CG1 3.33Å; K536-L606 HydrophobicContact CD-CD2 4.46Å; K536-L606 HydrophobicContact CG-CD2 3.82Å; K536-E609 VanDerWaalsContact CE-OE2 3.27Å; K536-E609 WeakPolarHBondContact CE-OE2 3.48Å; K536-E609 IonicContact NZ-OE1 3.08Å; K536-E609 PolarHBondContact NZ-OE1 3.45Å; K536-E609 IonicContact NZ-OE2 2.67Å; K536-E609 PolarHBondContact NZ-OE2 2.9Å
537	T	89.8	Confident	87.7	Confident	56 Å²	56	50.4 Å²	50.4	34%	0.344	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	139.2	175.8	59.7	0	0	0	0	109.7	S516 L606	S516-T537 WeakPolarHBondContact CB-OG1 3.31Å; S516-T537 PolarHBondContact N-O 3.26Å; S516-T537 PolarHBondContact O-N 2.87Å; T537-L606 HydrophobicContact CG2-CD2 4.39Å
538	V	92.9	Very high	89.3	Confident	35 Å²	35	51.1 Å²	51.1	21%	0.212	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	143.2	158.6	-174.7	0	0	0	0	107.3	V535 A544 E545 V552	V535-V538 HydrophobicContact CG1-CG2 4.04Å; V538-A544 HydrophobicContact CG1-CB 4.09Å; V538-E545 HydrophobicContact CG1-CB 3.78Å; V538-V552 HydrophobicContact CG2-CG2 4.31Å
539	I	92.1	Very high	90.7	Very high	91 Å²	91	53.3 Å²	53.3	47%	0.467	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-95.7	126.3	-177.9	-58.9	176.1	0	0	0	108.9	G514 G541 G542	G514-I539 PolarHBondContact O-N 2.79Å; I539-G541 PolarHBondContact O-N 2.93Å; I539-G542 PolarHBondContact O-N 2.87Å
540	E	89.6	Confident	91.6	Very high	173 Å²	173	47.7 Å²	47.7	81%	0.808	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	130.2	177.7	-65.3	178.4	-168.7	0	0	111.2	G542 E545	E540-G542 PolarHBondContact O-N 2.91Å; E540-E545 WeakPolarHBondContact CA-OE2 3.3Å
541	G	87.8	Confident	91.8	Very high	52 Å²	52	50.6 Å²	50.6	54%	0.536	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	-13.7	-175.1	0	0	0	0	0	116.1	I539 E545 R546	I539-G541 PolarHBondContact O-N 2.93Å; G541-E545 PolarHBondContact N-OE2 3.11Å; G541-R546 WeakPolarHBondContact O-CD 3.42Å; G541-R546 WeakPolarHBondContact O-CG 3.46Å
542	G	90.7	Very high	91.9	Very high	10 Å²	10	52.5 Å²	52.5	10%	0.103	27%	0.272	C	S	.	.	S	Bend	trans	-75	160.7	-177.9	0	0	0	0	0	114	I539 E540 A544 E545 R546	I539-G542 PolarHBondContact O-N 2.87Å; E540-G542 PolarHBondContact O-N 2.91Å; G542-A544 VanDerWaalsContact C-N 3.32Å; G542-A544 PolarHBondContact O-N 2.87Å; G542-A544 VanDerWaalsContact O-N 3.11Å; G542-E545 PolarHBondContact O-N 3.37Å; G542-R546 PolarHBondContact O-N 2.97Å; G542-R546 VanDerWaalsContact O-N 3.09Å
543	A	92	Very high	91.8	Very high	2 Å²	2	54.1 Å²	54.1	2%	0.017	28%	0.28	C	S	.	.	H	α-helix	trans	-41.2	-51	-176.6	0	0	0	0	0	115	L506 E507 D509 E545 R546 D547	L506-A543 HydrophobicContact CD2-CB 3.77Å; L506-A543 HydrophobicContact CG-CB 4.11Å; E507-A543 WeakPolarHBondContact O-CB 3.29Å; D509-A543 WeakPolarHBondContact OD2-CB 3.47Å; D509-A543 PolarHBondContact OD2-N 2.93Å; A543-E545 VanDerWaalsContact C-N 3.35Å; A543-E545 PolarHBondContact O-N 3.29Å; A543-R546 PolarHBondContact O-N 3.19Å; A543-D547 WeakPolarHBondContact O-CB 3.44Å; A543-D547 PolarHBondContact O-N 2.93Å
544	A	93	Very high	91.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66.1	-28.6	-179.7	0	0	0	0	0	114.8	L506 L513 I515 V538 G542 S548 I550	L506-A544 HydrophobicContact CD2-CB 4.17Å; L513-A544 WeakPolarHBondContact O-CB 3.36Å; L513-A544 PolarHBondContact O-N 2.94Å; I515-A544 HydrophobicContact CG2-CB 3.4Å; I515-A544 VanDerWaalsContact CG2-CB 3.4Å; V538-A544 HydrophobicContact CG1-CB 4.09Å; G542-A544 VanDerWaalsContact C-N 3.32Å; G542-A544 PolarHBondContact O-N 2.87Å; G542-A544 VanDerWaalsContact O-N 3.11Å; A544-S548 PolarHBondContact O-N 3.39Å; A544-I550 HydrophobicContact CB-CB 4.49Å
545	E	93.1	Very high	91.7	Very high	83 Å²	83	54.2 Å²	54.2	39%	0.388	28%	0.281	S	S	.	.	H	α-helix	trans	-74.7	-45.2	172.3	-168	-177.5	-113.3	0	0	110.8	V538 E540 G541 G542 A543 D547 S548	V538-E545 HydrophobicContact CG1-CB 3.78Å; E540-E545 WeakPolarHBondContact CA-OE2 3.3Å; G541-E545 PolarHBondContact N-OE2 3.11Å; G542-E545 PolarHBondContact O-N 3.37Å; A543-E545 VanDerWaalsContact C-N 3.35Å; A543-E545 PolarHBondContact O-N 3.29Å; E545-D547 PolarHBondContact O-N 3.25Å; E545-D547 VanDerWaalsContact O-N 3.16Å; E545-S548 PolarHBondContact O-N 3.17Å; E545-S548 PolarHBondContact O-OG 3.26Å
546	R	91.7	Very high	91.8	Very high	144 Å²	144	54.2 Å²	54.2	54%	0.543	28%	0.281	S	S	.	.	H	α-helix	trans	-56.4	-32.5	177.2	-60.4	-172	-61.9	94.4	-7	112.1	D509 G541 G542 A543	D509-R546 IonicContact OD1-CZ 2.7Å; D509-R546 IonicContact OD1-NH2 2.69Å; D509-R546 PolarHBondContact OD1-NH2 3.45Å; D509-R546 IonicContact OD2-CZ 2.62Å; D509-R546 IonicContact OD2-NE 3.49Å; D509-R546 PolarHBondContact OD2-NE 2.97Å; D509-R546 IonicContact OD2-NH2 3.66Å; D509-R546 PolarHBondContact OD2-NH2 2.89Å; G541-R546 WeakPolarHBondContact O-CD 3.42Å; G541-R546 WeakPolarHBondContact O-CG 3.46Å; G542-R546 PolarHBondContact O-N 2.97Å; G542-R546 VanDerWaalsContact O-N 3.09Å; A543-R546 PolarHBondContact O-N 3.19Å
547	D	90.9	Very high	92	Very high	47 Å²	47	53.2 Å²	53.2	25%	0.251	28%	0.278	S	S	.	.	H	α-helix	trans	-82.5	-33.6	174.7	-177.5	74.8	0	0	0	114	L506 A543 E545 R549	L506-D547 HydrophobicContact CD1-CB 3.49Å; L506-D547 VanDerWaalsContact CD1-CB 3.49Å; A543-D547 WeakPolarHBondContact O-CB 3.44Å; A543-D547 PolarHBondContact O-N 2.93Å; E545-D547 PolarHBondContact O-N 3.25Å; E545-D547 VanDerWaalsContact O-N 3.16Å; D547-R549 VanDerWaalsContact CG-NE 3.29Å; D547-R549 PolarHBondContact O-N 2.85Å; D547-R549 IonicContact OD1-CZ 2.76Å; D547-R549 VanDerWaalsContact OD1-CZ 3.24Å; D547-R549 IonicContact OD1-NE 3.24Å; D547-R549 PolarHBondContact OD1-NE 2.79Å; D547-R549 IonicContact OD1-NH2 3.38Å; D547-R549 PolarHBondContact OD1-NH2 3.38Å; D547-R549 WeakPolarHBondContact OD2-CB 3.28Å; D547-R549 WeakPolarHBondContact OD2-CG 3.28Å; D547-R549 IonicContact OD2-CZ 3.88Å; D547-R549 PolarHBondContact OD2-N 3.49Å; D547-R549 IonicContact OD2-NE 3.64Å; D547-R549 PolarHBondContact OD2-NE 3.38Å; D547-R549 IonicContact OD2-NH2 2.76Å
548	S	91.1	Very high	92.3	Very high	79 Å²	79	53.7 Å²	53.7	55%	0.552	28%	0.277	S	S	*	.			trans	59.6	1.4	176.4	-72.5	0	0	0	0	117.1	A544 E545	A544-S548 PolarHBondContact O-N 3.39Å; E545-S548 PolarHBondContact O-N 3.17Å; E545-S548 PolarHBondContact O-OG 3.26Å
549	R	93.1	Very high	92.5	Very high	100 Å²	100	52 Å²	52	38%	0.377	27%	0.267	S	S	.	.	S	Bend	trans	-74.3	-37.4	173.6	-63.8	178.4	-83.5	174.9	-8.6	112	V504 E505 D547 R589	V504-R549 HydrophobicContact CG1-CB 4.26Å; V504-R549 HydrophobicContact CG2-CB 3.99Å; E505-R549 PolarHBondContact O-NH2 3.12Å; D547-R549 VanDerWaalsContact CG-NE 3.29Å; D547-R549 PolarHBondContact O-N 2.85Å; D547-R549 IonicContact OD1-CZ 2.76Å; D547-R549 VanDerWaalsContact OD1-CZ 3.24Å; D547-R549 IonicContact OD1-NE 3.24Å; D547-R549 PolarHBondContact OD1-NE 2.79Å; D547-R549 IonicContact OD1-NH2 3.38Å; D547-R549 PolarHBondContact OD1-NH2 3.38Å; D547-R549 WeakPolarHBondContact OD2-CB 3.28Å; D547-R549 WeakPolarHBondContact OD2-CG 3.28Å; D547-R549 IonicContact OD2-CZ 3.88Å; D547-R549 PolarHBondContact OD2-N 3.49Å; D547-R549 IonicContact OD2-NE 3.64Å; D547-R549 PolarHBondContact OD2-NE 3.38Å; D547-R549 IonicContact OD2-NH2 2.76Å; R549-R589 PolarHBondContact O-NH2 3.17Å
550	I	93.8	Very high	92.6	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.026	26%	0.257	C	S	.	.			trans	-85.2	139.4	177.5	-52.9	-178.5	0	0	0	110	V504 I515 V535 A544 I587	V504-I550 HydrophobicContact CB-CG1 4.47Å; V504-I550 HydrophobicContact CG1-CD1 4.04Å; V504-I550 HydrophobicContact CG1-CG1 3.93Å; V504-I550 HydrophobicContact CG2-CG1 4.35Å; I515-I550 HydrophobicContact CG2-CG2 4.46Å; V535-I550 HydrophobicContact CG1-CG2 4.42Å; V535-I550 HydrophobicContact CG2-CG2 3.82Å; A544-I550 HydrophobicContact CB-CB 4.49Å; I550-I587 HydrophobicContact CD1-CD1 4.43Å; I550-I587 HydrophobicContact CG1-CG1 4.43Å
551	K	91.8	Very high	92.7	Very high	115 Å²	115	44.4 Å²	44.4	50%	0.5	25%	0.245	S	C	.	.			trans	-136.7	163.1	-177.8	-64.6	-179.4	-177	177.2	0	111.3	V535 D554	V535-K551 WeakPolarHBondContact CB-O 3.08Å; V535-K551 WeakPolarHBondContact CG1-O 3.41Å; K551-D554 PolarHBondContact N-OD2 2.9Å; K551-D554 VanDerWaalsContact O-CB 3.31Å; K551-D554 WeakPolarHBondContact O-CB 3.27Å; K551-D554 VanDerWaalsContact O-CG 3.32Å; K551-D554 PolarHBondContact O-N 3.09Å
552	V	91	Very high	93	Very high	60 Å²	60	44.5 Å²	44.5	36%	0.364	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	144.4	169.7	179.7	0	0	0	0	109.9	V535 K536 V538 D554 L606	V535-V552 WeakPolarHBondContact O-CA 3.27Å; K536-V552 WeakPolarHBondContact O-CG1 3.33Å; V538-V552 HydrophobicContact CG2-CG2 4.31Å; V552-D554 VanDerWaalsContact C-N 3.25Å; V552-D554 PolarHBondContact O-N 3.05Å; V552-L606 HydrophobicContact CG1-CD1 3.81Å
553	N	89.8	Confident	93.2	Very high	33 Å²	33	47.1 Å²	47.1	18%	0.176	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	-4.2	-172.1	-51.9	-22.5	0	0	0	116	V535 A599 I602 Q603	V535-N553 PolarHBondContact O-N 3.42Å; N553-A599 HydrophobicContact CB-CB 4.27Å; N553-I602 HydrophobicContact CB-CD1 4.48Å; N553-I602 WeakPolarHBondContact OD1-CB 3.23Å; N553-I602 WeakPolarHBondContact OD1-CG2 3.28Å; N553-Q603 PolarHBondContact ND2-OE1 2.82Å
554	D	93.2	Very high	93.3	Very high	5 Å²	5	47 Å²	47	3%	0.027	25%	0.251	C	S	.	.			trans	-63.5	142.4	170.5	-73.6	-13.3	0	0	0	111.2	F534 V535 K551 V552 I587 R589	F534-D554 CarbonylContact C-O 3.56Å; F534-D554 VanDerWaalsContact CA-O 3.31Å; F534-D554 WeakPolarHBondContact CA-O 3.35Å; V535-D554 HydrophobicContact CG2-CB 4.26Å; V535-D554 PolarHBondContact N-O 3.32Å; K551-D554 PolarHBondContact N-OD2 2.9Å; K551-D554 VanDerWaalsContact O-CB 3.31Å; K551-D554 WeakPolarHBondContact O-CB 3.27Å; K551-D554 VanDerWaalsContact O-CG 3.32Å; K551-D554 PolarHBondContact O-N 3.09Å; V552-D554 VanDerWaalsContact C-N 3.25Å; V552-D554 PolarHBondContact O-N 3.05Å; D554-I587 HydrophobicContact CB-CG2 3.7Å; D554-R589 VanDerWaalsContact CG-NH2 3.28Å; D554-R589 IonicContact OD1-CZ 2.67Å; D554-R589 VanDerWaalsContact OD1-CZ 3.31Å; D554-R589 IonicContact OD1-NE 2.96Å; D554-R589 PolarHBondContact OD1-NE 3.02Å; D554-R589 IonicContact OD1-NH2 2.75Å; D554-R589 PolarHBondContact OD1-NH2 3.02Å; D554-R589 VanDerWaalsContact OD1-NH2 3.08Å; D554-R589 IonicContact OD2-CZ 3.64Å; D554-R589 IonicContact OD2-NE 2.85Å; D554-R589 IonicContact OD2-NH2 3.83Å; D554-R589 PolarHBondContact OD2-NH2 3.23Å
555	Q	94	Very high	93.3	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.047	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	130.1	171.1	-163.7	177.2	-26.2	0	0	110.6	V496 L499 I533 F534 I587 G588	V496-Q555 VanDerWaalsContact CG2-NE2 3.3Å; L499-Q555 HydrophobicContact CD1-CB 3.96Å; I533-Q555 CarbonylContact O-C 3.59Å; I533-Q555 WeakPolarHBondContact O-CA 3.27Å; I533-Q555 WeakPolarHBondContact O-CG 3.37Å; F534-Q555 HydrophobicContact CD1-CB 3.76Å; F534-Q555 HydrophobicContact CD1-CG 3.99Å; F534-Q555 HydrophobicContact CE1-CB 3.56Å; F534-Q555 HydrophobicContact CE1-CG 3.66Å; F534-Q555 HydrophobicContact CE2-CG 4.32Å; F534-Q555 HydrophobicContact CG-CG 4.46Å; F534-Q555 HydrophobicContact CZ-CB 4.23Å; F534-Q555 HydrophobicContact CZ-CG 3.82Å; Q555-I587 WeakPolarHBondContact O-CA 3.31Å; Q555-G588 PolarHBondContact N-O 3.41Å; Q555-G588 PolarHBondContact O-N 2.92Å
556	I	95.4	Very high	93.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	115.1	168.2	-49	179.2	0	0	0	107.5	I515 I517 I533 V535 V559 L564 L576 F585 I587	I515-I556 HydrophobicContact CD1-CD1 3.93Å; I517-I556 HydrophobicContact CG2-CD1 3.72Å; I533-I556 HydrophobicContact CG2-CB 4.43Å; I533-I556 HydrophobicContact CG2-CD1 4.36Å; I533-I556 PolarHBondContact O-N 3.44Å; V535-I556 HydrophobicContact CG2-CD1 4.19Å; V535-I556 HydrophobicContact CG2-CG1 4.04Å; I556-V559 HydrophobicContact CG2-CG2 3.58Å; I556-L564 HydrophobicContact CG2-CD1 3.92Å; I556-L576 HydrophobicContact CD1-CD1 4.29Å; I556-L576 HydrophobicContact CD1-CD2 4.47Å; I556-F585 HydrophobicContact CG2-CD1 4.02Å; I556-I587 HydrophobicContact CG1-CD1 4.23Å; I556-I587 HydrophobicContact CG2-CD1 4.46Å
557	V	95.3	Very high	93.1	Very high	18 Å²	18	38.3 Å²	38.3	11%	0.109	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-41.5	-176.1	175.4	0	0	0	0	110.6	V496 L501 L564 V565 V586	V496-V557 HydrophobicContact CG1-CB 4.38Å; V496-V557 HydrophobicContact CG1-CG1 3.74Å; V496-V557 HydrophobicContact CG1-CG2 3.65Å; V496-V557 HydrophobicContact CG2-CG2 4.3Å; L501-V557 HydrophobicContact CD2-CB 4.35Å; L501-V557 HydrophobicContact CD2-CG1 4.34Å; L501-V557 HydrophobicContact CD2-CG2 3.81Å; V557-L564 PolarHBondContact O-N 3.01Å; V557-V565 HydrophobicContact CG1-CG2 3.9Å; V557-V586 HydrophobicContact CB-CB 4.38Å; V557-V586 HydrophobicContact CB-CG1 4.25Å; V557-V586 WeakPolarHBondContact CB-O 3.5Å; V557-V586 HydrophobicContact CG1-CG1 4.44Å; V557-V586 PolarHBondContact N-O 2.91Å
558	E	96.1	Very high	93.1	Very high	66 Å²	66	37.8 Å²	37.8	31%	0.308	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	148.9	179.9	-161.8	-158.8	103	0	0	110.6	G561 T562 F585 V586	E558-G561 WeakPolarHBondContact OE1-CA 3.39Å; E558-G561 PolarHBondContact OE1-N 3.09Å; E558-T562 CarbonylContact C-O 3.47Å; E558-T562 WeakPolarHBondContact CA-O 3.28Å; E558-T562 WeakPolarHBondContact CG-O 3.28Å; E558-F585 WeakPolarHBondContact O-CA 3.46Å; E558-V586 HydrophobicContact CB-CB 3.77Å; E558-V586 HydrophobicContact CB-CG2 3.83Å; E558-V586 PolarHBondContact N-O 3.45Å; E558-V586 PolarHBondContact O-N 3.47Å
559	V	96.7	Very high	93.1	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	118.5	170.7	-176.8	0	0	0	0	109.3	I556 G561 T562 L564 V575 L576 T579 V583 R584 F585	I556-V559 HydrophobicContact CG2-CG2 3.58Å; V559-G561 VanDerWaalsContact C-N 3.27Å; V559-G561 PolarHBondContact O-N 3Å; V559-T562 PolarHBondContact N-O 2.89Å; V559-T562 WeakPolarHBondContact O-CA 3.26Å; V559-T562 VanDerWaalsContact O-CB 3.26Å; V559-T562 WeakPolarHBondContact O-CB 3.48Å; V559-T562 PolarHBondContact O-N 3.43Å; V559-L564 HydrophobicContact CB-CD1 4.4Å; V559-L564 HydrophobicContact CG2-CD1 3.51Å; V559-L564 HydrophobicContact CG2-CG 4.2Å; V559-V575 HydrophobicContact CB-CG1 3.94Å; V559-V575 HydrophobicContact CG1-CG1 4.03Å; V559-L576 HydrophobicContact CG1-CD2 4.33Å; V559-L576 HydrophobicContact CG2-CD2 3.86Å; V559-T579 HydrophobicContact CG1-CG2 3.61Å; V559-V583 HydrophobicContact CG1-CG1 3.74Å; V559-R584 CarbonylContact C-O 3.6Å; V559-R584 WeakPolarHBondContact CA-O 3.49Å; V559-F585 HydrophobicContact CG1-CE1 4.36Å; V559-F585 HydrophobicContact CG2-CD1 3.8Å; V559-F585 HydrophobicContact CG2-CE1 3.9Å
560	D	93.9	Very high	93	Very high	50 Å²	50	37.1 Å²	37.1	27%	0.267	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	40	-179.9	-71.6	-40.3	0	0	0	114.6	T579 R584	D560-T579 VanDerWaalsContact OD2-CG2 3.29Å; D560-T579 WeakPolarHBondContact OD2-CG2 3.5Å; D560-R584 PolarHBondContact N-O 3.16Å; D560-R584 IonicContact OD1-CZ 3.6Å; D560-R584 PolarHBondContact OD1-N 2.88Å; D560-R584 IonicContact OD1-NH1 3.31Å; D560-R584 PolarHBondContact OD1-NH1 3.4Å
561	G	91.6	Very high	93	Very high	53 Å²	53	41.5 Å²	41.5	55%	0.546	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	-3.9	-175.9	0	0	0	0	0	115	E558 V559	E558-G561 WeakPolarHBondContact OE1-CA 3.39Å; E558-G561 PolarHBondContact OE1-N 3.09Å; V559-G561 VanDerWaalsContact C-N 3.27Å; V559-G561 PolarHBondContact O-N 3Å
562	T	94.9	Very high	93.1	Very high	55 Å²	55	36 Å²	36	34%	0.337	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	114.9	177.9	-52.8	0	0	0	0	110.4	E558 V559 F571 V575	E558-T562 CarbonylContact C-O 3.47Å; E558-T562 WeakPolarHBondContact CA-O 3.28Å; E558-T562 WeakPolarHBondContact CG-O 3.28Å; V559-T562 PolarHBondContact N-O 2.89Å; V559-T562 WeakPolarHBondContact O-CA 3.26Å; V559-T562 VanDerWaalsContact O-CB 3.26Å; V559-T562 WeakPolarHBondContact O-CB 3.48Å; V559-T562 PolarHBondContact O-N 3.43Å; T562-F571 HydrophobicContact CG2-CE1 4.1Å; T562-F571 HydrophobicContact CG2-CZ 4.18Å; T562-V575 HydrophobicContact CG2-CG1 4.44Å; T562-V575 HydrophobicContact CG2-CG2 4.1Å
563	S	94.9	Very high	93.2	Very high	65 Å²	65	34.9 Å²	34.9	46%	0.455	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	136.1	171.7	179.8	0	0	0	0	111.3	V565	S563-V565 PolarHBondContact OG-N 2.91Å
564	L	94.5	Very high	93.4	Very high	0 Å²	0	35 Å²	35	0%	0	22%	0.216	C	C	.	.			trans	-113.9	20.6	171.1	-59.2	-171.8	0	0	0	112	I533 I556 V557 V559 V567 F571 A572 V575	I533-L564 HydrophobicContact CB-CB 4.44Å; I533-L564 HydrophobicContact CG1-CB 4.12Å; I533-L564 WeakPolarHBondContact CG1-O 3.35Å; I556-L564 HydrophobicContact CG2-CD1 3.92Å; V557-L564 PolarHBondContact O-N 3.01Å; V559-L564 HydrophobicContact CB-CD1 4.4Å; V559-L564 HydrophobicContact CG2-CD1 3.51Å; V559-L564 HydrophobicContact CG2-CG 4.2Å; L564-V567 HydrophobicContact CB-CG2 4.05Å; L564-V567 HydrophobicContact CD2-CG2 4.08Å; L564-F571 HydrophobicContact CD2-CD1 4.23Å; L564-F571 HydrophobicContact CD2-CE1 4.1Å; L564-A572 HydrophobicContact CD1-CB 4.16Å; L564-A572 HydrophobicContact CD2-CB 4.21Å; L564-V575 HydrophobicContact CD2-CB 4.21Å; L564-V575 HydrophobicContact CD2-CG1 4.38Å; L564-V575 HydrophobicContact CD2-CG2 4.06Å
565	V	92.5	Very high	93.6	Very high	18 Å²	18	35.8 Å²	35.8	11%	0.109	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	129.4	170.6	-171.2	0	0	0	0	109	L492 E493 V496 V557 S563 V567	L492-V565 HydrophobicContact CB-CG1 3.86Å; E493-V565 HydrophobicContact CG-CG1 3.91Å; V496-V565 HydrophobicContact CG2-CG1 4.16Å; V496-V565 HydrophobicContact CG2-CG2 3.94Å; V557-V565 HydrophobicContact CG1-CG2 3.9Å; S563-V565 PolarHBondContact OG-N 2.91Å; V565-V567 VanDerWaalsContact C-N 3.25Å; V565-V567 PolarHBondContact O-N 2.96Å
566	G	90.3	Very high	93.6	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.4	9.4	179.2	0	0	0	0	0	114.9	K530 L531	K530-G566 WeakPolarHBondContact CA-O 3.41Å; K530-G566 WeakPolarHBondContact CD-O 3.5Å; L531-G566 CarbonylContact O-C 3.59Å; L531-G566 WeakPolarHBondContact O-CA 2.91Å; L531-G566 PolarHBondContact O-N 3.1Å
567	V	91.2	Very high	93.5	Very high	24 Å²	24	43.2 Å²	43.2	15%	0.145	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	165.2	-177.8	-53.3	0	0	0	0	112.4	E529 L531 I533 L564 V565 F571 A572	E529-V567 CarbonylContact O-C 3.59Å; L531-V567 WeakPolarHBondContact CB-O 3.49Å; L531-V567 PolarHBondContact N-O 3.08Å; L531-V567 VanDerWaalsContact N-O 3.14Å; L531-V567 PolarHBondContact O-N 2.98Å; I533-V567 HydrophobicContact CD1-CG2 4.15Å; I533-V567 HydrophobicContact CG1-CG2 3.84Å; L564-V567 HydrophobicContact CB-CG2 4.05Å; L564-V567 HydrophobicContact CD2-CG2 4.08Å; V565-V567 VanDerWaalsContact C-N 3.25Å; V565-V567 PolarHBondContact O-N 2.96Å; V567-F571 HydrophobicContact CB-CD1 3.73Å; V567-F571 HydrophobicContact CB-CE1 4.39Å; V567-F571 HydrophobicContact CB-CG 4.49Å; V567-F571 HydrophobicContact CG1-CD1 3.9Å; V567-F571 HydrophobicContact CG1-CE1 4.04Å; V567-F571 HydrophobicContact CG2-CD1 4.05Å; V567-A572 HydrophobicContact CG2-CB 4.01Å
568	T	91.2	Very high	93.3	Very high	35 Å²	35	48 Å²	48	22%	0.215	27%	0.274	C	S	.	.			trans	-76.4	149.6	174.4	86.5	0	0	0	0	110.5	E529 S570 F571 A572	E529-T568 HydrophobicContact CB-CG2 3.66Å; E529-T568 WeakPolarHBondContact O-CA 3.38Å; E529-T568 PolarHBondContact O-N 3.06Å; E529-T568 WeakPolarHBondContact OE2-CB 3.5Å; E529-T568 VanDerWaalsContact OE2-CG2 3.3Å; E529-T568 WeakPolarHBondContact OE2-CG2 3.42Å; T568-S570 PolarHBondContact O-N 3.33Å; T568-S570 PolarHBondContact OG1-OG 3.08Å; T568-F571 PolarHBondContact O-N 3.48Å; T568-F571 WeakPolarHBondContact OG1-CB 3.28Å; T568-F571 PolarHBondContact OG1-N 2.8Å; T568-A572 PolarHBondContact O-N 2.95Å
569	Q	90.4	Very high	93.1	Very high	84 Å²	84	45.7 Å²	45.7	39%	0.393	26%	0.264	S	S	.	.	H	α-helix	trans	-62.2	-29.9	178	-167.1	-174.8	7.5	0	0	111.9	I517 L531 A573	I517-Q569 HydrophobicContact CD1-CG 4.25Å; I517-Q569 PolarHBondContact O-NE2 2.83Å; L531-Q569 HydrophobicContact CD1-CB 4.2Å; Q569-A573 VanDerWaalsContact O-CB 3.23Å; Q569-A573 WeakPolarHBondContact O-CB 3.49Å; Q569-A573 PolarHBondContact O-N 2.81Å
570	S	90.9	Very high	92.8	Very high	82 Å²	82	50.4 Å²	50.4	57%	0.573	30%	0.298	S	S	*	.	H	α-helix	trans	-72.9	-36.3	176.8	56.8	0	0	0	0	112.5	T568 S574	T568-S570 PolarHBondContact O-N 3.33Å; T568-S570 PolarHBondContact OG1-OG 3.08Å; S570-S574 PolarHBondContact O-N 3.11Å; S570-S574 VanDerWaalsContact O-N 3.11Å
571	F	93.6	Very high	92.7	Very high	97 Å²	97	50 Å²	50	43%	0.425	31%	0.305	S	S	.	.	H	α-helix	trans	-64	-51.8	171.3	179.2	-94.3	0	0	0	110.9	T562 L564 V567 T568 A573 S574 V575	T562-F571 HydrophobicContact CG2-CE1 4.1Å; T562-F571 HydrophobicContact CG2-CZ 4.18Å; L564-F571 HydrophobicContact CD2-CD1 4.23Å; L564-F571 HydrophobicContact CD2-CE1 4.1Å; V567-F571 HydrophobicContact CB-CD1 3.73Å; V567-F571 HydrophobicContact CB-CE1 4.39Å; V567-F571 HydrophobicContact CB-CG 4.49Å; V567-F571 HydrophobicContact CG1-CD1 3.9Å; V567-F571 HydrophobicContact CG1-CE1 4.04Å; V567-F571 HydrophobicContact CG2-CD1 4.05Å; T568-F571 PolarHBondContact O-N 3.48Å; T568-F571 WeakPolarHBondContact OG1-CB 3.28Å; T568-F571 PolarHBondContact OG1-N 2.8Å; F571-A573 VanDerWaalsContact C-N 3.35Å; F571-A573 PolarHBondContact O-N 3.33Å; F571-S574 CarbonylContact O-C 3.6Å; F571-S574 WeakPolarHBondContact O-CA 3.37Å; F571-S574 VanDerWaalsContact O-CB 3.27Å; F571-S574 WeakPolarHBondContact O-CB 3.47Å; F571-S574 PolarHBondContact O-N 3.19Å; F571-V575 HydrophobicContact CD1-CG2 4.08Å; F571-V575 HydrophobicContact CE1-CG2 3.67Å; F571-V575 HydrophobicContact CZ-CG2 3.93Å; F571-V575 PolarHBondContact O-N 3.37Å
572	A	93.8	Very high	92.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-57.9	-44.2	178	0	0	0	0	0	112.8	I517 I533 L564 V567 T568 S574 V575 L576	I517-A572 HydrophobicContact CD1-CB 3.81Å; I533-A572 HydrophobicContact CB-CB 4.48Å; I533-A572 HydrophobicContact CD1-CB 3.58Å; I533-A572 HydrophobicContact CG1-CB 3.62Å; I533-A572 HydrophobicContact CG2-CB 4.12Å; L564-A572 HydrophobicContact CD1-CB 4.16Å; L564-A572 HydrophobicContact CD2-CB 4.21Å; V567-A572 HydrophobicContact CG2-CB 4.01Å; T568-A572 PolarHBondContact O-N 2.95Å; A572-S574 PolarHBondContact O-N 2.89Å; A572-V575 PolarHBondContact O-N 2.93Å; A572-L576 WeakPolarHBondContact O-CB 3.34Å; A572-L576 WeakPolarHBondContact O-CG 3.38Å; A572-L576 PolarHBondContact O-N 3.42Å
573	A	93.6	Very high	92.8	Very high	35 Å²	35	48.7 Å²	48.7	29%	0.289	29%	0.286	S	S	.	.	H	α-helix	trans	-64.3	-21.6	173.6	0	0	0	0	0	113.2	I517 Q569 F571 R577	I517-A573 HydrophobicContact CD1-CB 4.3Å; Q569-A573 VanDerWaalsContact O-CB 3.23Å; Q569-A573 WeakPolarHBondContact O-CB 3.49Å; Q569-A573 PolarHBondContact O-N 2.81Å; F571-A573 VanDerWaalsContact C-N 3.35Å; F571-A573 PolarHBondContact O-N 3.33Å; A573-R577 VanDerWaalsContact O-CB 3.29Å; A573-R577 WeakPolarHBondContact O-CB 3.4Å; A573-R577 VanDerWaalsContact O-CD 3.27Å; A573-R577 WeakPolarHBondContact O-CD 3.46Å; A573-R577 WeakPolarHBondContact O-CG 3.23Å; A573-R577 PolarHBondContact O-N 2.92Å; A573-R577 PolarHBondContact O-NH1 2.86Å
574	S	94.4	Very high	92.9	Very high	37 Å²	37	51.2 Å²	51.2	26%	0.259	29%	0.286	S	S	.	.	H	α-helix	trans	-81.1	-43.4	173	-141.4	0	0	0	0	112.4	S570 F571 A572 R577 N578	S570-S574 PolarHBondContact O-N 3.11Å; S570-S574 VanDerWaalsContact O-N 3.11Å; F571-S574 CarbonylContact O-C 3.6Å; F571-S574 WeakPolarHBondContact O-CA 3.37Å; F571-S574 VanDerWaalsContact O-CB 3.27Å; F571-S574 WeakPolarHBondContact O-CB 3.47Å; F571-S574 PolarHBondContact O-N 3.19Å; A572-S574 PolarHBondContact O-N 2.89Å; S574-R577 VanDerWaalsContact CA-NH1 3.31Å; S574-R577 PolarHBondContact O-N 3.31Å; S574-R577 PolarHBondContact OG-NH1 3.15Å; S574-R577 PolarHBondContact OG-NH2 3.41Å; S574-N578 VanDerWaalsContact O-CB 3.3Å; S574-N578 WeakPolarHBondContact O-CB 3.42Å; S574-N578 PolarHBondContact O-N 3.29Å; S574-N578 PolarHBondContact O-OD1 3.32Å
575	V	95.5	Very high	93	Very high	21 Å²	21	51.4 Å²	51.4	13%	0.127	29%	0.286	C	S	.	.	H	α-helix	trans	-56.6	-57.1	173.2	177.7	0	0	0	0	109.7	V559 T562 L564 F571 A572 R577 N578 T579	V559-V575 HydrophobicContact CB-CG1 3.94Å; V559-V575 HydrophobicContact CG1-CG1 4.03Å; T562-V575 HydrophobicContact CG2-CG1 4.44Å; T562-V575 HydrophobicContact CG2-CG2 4.1Å; L564-V575 HydrophobicContact CD2-CB 4.21Å; L564-V575 HydrophobicContact CD2-CG1 4.38Å; L564-V575 HydrophobicContact CD2-CG2 4.06Å; F571-V575 HydrophobicContact CD1-CG2 4.08Å; F571-V575 HydrophobicContact CE1-CG2 3.67Å; F571-V575 HydrophobicContact CZ-CG2 3.93Å; F571-V575 PolarHBondContact O-N 3.37Å; A572-V575 PolarHBondContact O-N 2.93Å; V575-R577 PolarHBondContact O-N 2.94Å; V575-R577 VanDerWaalsContact O-N 3.13Å; V575-N578 PolarHBondContact O-N 2.92Å; V575-T579 WeakPolarHBondContact O-CG2 3.48Å; V575-T579 PolarHBondContact O-N 3.08Å; V575-T579 VanDerWaalsContact O-N 3.11Å
576	L	94.4	Very high	93.2	Very high	16 Å²	16	52.2 Å²	52.2	8%	0.084	29%	0.291	C	S	.	.	H	α-helix	trans	-58.5	-29.2	-180	-66.9	169.2	0	0	0	114.2	K508 L513 I515 I517 I556 V559 A572 T579 F585	K508-L576 PolarHBondContact NZ-O 2.95Å; L513-L576 HydrophobicContact CD1-CB 4.16Å; L513-L576 HydrophobicContact CD1-CD2 3.94Å; L513-L576 WeakPolarHBondContact CD1-O 3.42Å; I515-L576 HydrophobicContact CD1-CD2 4.44Å; I517-L576 HydrophobicContact CD1-CD1 3.9Å; I517-L576 HydrophobicContact CG1-CD1 4.28Å; I517-L576 HydrophobicContact CG2-CD1 3.69Å; I556-L576 HydrophobicContact CD1-CD1 4.29Å; I556-L576 HydrophobicContact CD1-CD2 4.47Å; V559-L576 HydrophobicContact CG1-CD2 4.33Å; V559-L576 HydrophobicContact CG2-CD2 3.86Å; A572-L576 WeakPolarHBondContact O-CB 3.34Å; A572-L576 WeakPolarHBondContact O-CG 3.38Å; A572-L576 PolarHBondContact O-N 3.42Å; L576-T579 PolarHBondContact O-OG1 2.94Å; L576-T579 VanDerWaalsContact O-OG1 3.11Å; L576-F585 HydrophobicContact CD2-CE1 3.68Å; L576-F585 HydrophobicContact CD2-CZ 4.26Å
577	R	92.9	Very high	93.5	Very high	150 Å²	150	52.1 Å²	52.1	57%	0.566	29%	0.29	S	S	*	.	H	α-helix	trans	-74.2	-41.4	172.9	-89.8	170.9	26.4	-105.5	-34.2	112.3	K508 A573 S574 V575	K508-R577 PolarHBondContact NZ-O 3.36Å; A573-R577 VanDerWaalsContact O-CB 3.29Å; A573-R577 WeakPolarHBondContact O-CB 3.4Å; A573-R577 VanDerWaalsContact O-CD 3.27Å; A573-R577 WeakPolarHBondContact O-CD 3.46Å; A573-R577 WeakPolarHBondContact O-CG 3.23Å; A573-R577 PolarHBondContact O-N 2.92Å; A573-R577 PolarHBondContact O-NH1 2.86Å; S574-R577 VanDerWaalsContact CA-NH1 3.31Å; S574-R577 PolarHBondContact O-N 3.31Å; S574-R577 PolarHBondContact OG-NH1 3.15Å; S574-R577 PolarHBondContact OG-NH2 3.41Å; V575-R577 PolarHBondContact O-N 2.94Å; V575-R577 VanDerWaalsContact O-N 3.13Å
578	N	92.7	Very high	93.6	Very high	117 Å²	117	51 Å²	51	63%	0.626	28%	0.284	S	S	*	.	H	α-helix	trans	-82.1	-16.8	-171	-66.8	2.8	0	0	0	113.9	S574 V575	S574-N578 VanDerWaalsContact O-CB 3.3Å; S574-N578 WeakPolarHBondContact O-CB 3.42Å; S574-N578 PolarHBondContact O-N 3.29Å; S574-N578 PolarHBondContact O-OD1 3.32Å; V575-N578 PolarHBondContact O-N 2.92Å
579	T	91.5	Very high	93.6	Very high	18 Å²	18	52.6 Å²	52.6	11%	0.11	29%	0.286	C	S	.	.			trans	-59.1	156.1	170.2	58.2	0	0	0	0	112.4	K508 V559 D560 V575 L576 V583	K508-T579 WeakPolarHBondContact CD-O 3.29Å; K508-T579 WeakPolarHBondContact CE-O 3.4Å; K508-T579 PolarHBondContact NZ-O 3.43Å; K508-T579 PolarHBondContact NZ-OG1 3.02Å; K508-T579 VanDerWaalsContact NZ-OG1 3.11Å; V559-T579 HydrophobicContact CG1-CG2 3.61Å; D560-T579 VanDerWaalsContact OD2-CG2 3.29Å; D560-T579 WeakPolarHBondContact OD2-CG2 3.5Å; V575-T579 WeakPolarHBondContact O-CG2 3.48Å; V575-T579 PolarHBondContact O-N 3.08Å; V575-T579 VanDerWaalsContact O-N 3.11Å; L576-T579 PolarHBondContact O-OG1 2.94Å; L576-T579 VanDerWaalsContact O-OG1 3.11Å; T579-V583 HydrophobicContact CG2-CG1 3.8Å; T579-V583 HydrophobicContact CG2-CG2 4.34Å
580	S	89.8	Confident	93.4	Very high	100 Å²	100	50.8 Å²	50.8	70%	0.699	28%	0.278	S	S	*	.			trans	-154.9	149.7	177.3	65.6	0	0	0	0	112.1
581	G	92.1	Very high	92.8	Very high	41 Å²	41	53.6 Å²	53.6	42%	0.423	28%	0.275	S	S	.	.	S	Bend	trans	73.4	-135.2	-175.6	0	0	0	0	0	112.2	K508	K508-G581 WeakPolarHBondContact CB-O 3.25Å; K508-G581 PolarHBondContact N-O 2.89Å
582	V	93.5	Very high	91.6	Very high	80 Å²	80	55.1 Å²	55.1	49%	0.485	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	113.6	175.2	-178.1	0	0	0	0	109.8	E505 E507	E505-V582 HydrophobicContact CB-CG1 4.07Å; E507-V582 HydrophobicContact CB-CG2 4.43Å; E507-V582 HydrophobicContact CG-CG2 4.48Å
583	V	95.6	Very high	90.2	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	125.6	-177	-177.6	0	0	0	0	109.2	E505 L506 K508 L513 V559 T579 F585	E505-V583 WeakPolarHBondContact CA-O 3.34Å; L506-V583 PolarHBondContact N-O 3.37Å; L506-V583 PolarHBondContact O-N 2.68Å; K508-V583 HydrophobicContact CB-CG2 4.26Å; K508-V583 HydrophobicContact CD-CG2 4.42Å; L513-V583 HydrophobicContact CD2-CB 4.32Å; L513-V583 HydrophobicContact CD2-CG2 4.03Å; V559-V583 HydrophobicContact CG1-CG1 3.74Å; T579-V583 HydrophobicContact CG2-CG1 3.8Å; T579-V583 HydrophobicContact CG2-CG2 4.34Å; V583-F585 HydrophobicContact CB-CD2 4.49Å; V583-F585 HydrophobicContact CB-CE2 3.77Å; V583-F585 HydrophobicContact CB-CZ 4.3Å; V583-F585 HydrophobicContact CG1-CD2 4.08Å; V583-F585 HydrophobicContact CG1-CE1 4.4Å; V583-F585 HydrophobicContact CG1-CE2 3.42Å; V583-F585 VanDerWaalsContact CG1-CE2 3.42Å; V583-F585 HydrophobicContact CG1-CZ 3.61Å; V583-F585 WeakPolarHBondContact O-CD2 3.45Å
584	R	96	Very high	89.1	Confident	119 Å²	119	63.2 Å²	63.2	45%	0.449	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	133.4	176.3	-60.7	-174.4	-49.5	-53.1	-9.5	110.1	E505 V559 D560	E505-R584 HydrophobicContact CG-CG 4.07Å; E505-R584 WeakPolarHBondContact OE1-CD 3.47Å; E505-R584 WeakPolarHBondContact OE1-CG 3.49Å; V559-R584 CarbonylContact C-O 3.6Å; V559-R584 WeakPolarHBondContact CA-O 3.49Å; D560-R584 PolarHBondContact N-O 3.16Å; D560-R584 IonicContact OD1-CZ 3.6Å; D560-R584 PolarHBondContact OD1-N 2.88Å; D560-R584 IonicContact OD1-NH1 3.31Å; D560-R584 PolarHBondContact OD1-NH1 3.4Å
585	F	97.1	Very high	87.4	Confident	3 Å²	3	69.8 Å²	69.8	1%	0.013	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.7	178	-64.4	-97.8	0	0	0	109.9	P503 V504 L506 L513 I515 I556 E558 V559 L576 V583 I587	P503-F585 CarbonylContact C-O 3.51Å; P503-F585 WeakPolarHBondContact CA-O 3.3Å; V504-F585 HydrophobicContact CB-CB 4.28Å; V504-F585 PolarHBondContact N-O 3.49Å; V504-F585 PolarHBondContact O-N 2.94Å; L506-F585 HydrophobicContact CB-CD2 4.31Å; L506-F585 HydrophobicContact CB-CE2 3.8Å; L513-F585 HydrophobicContact CD1-CZ 4.07Å; L513-F585 HydrophobicContact CD2-CE2 4.38Å; L513-F585 HydrophobicContact CD2-CZ 4.08Å; I515-F585 HydrophobicContact CD1-CE1 4.41Å; I556-F585 HydrophobicContact CG2-CD1 4.02Å; E558-F585 WeakPolarHBondContact O-CA 3.46Å; V559-F585 HydrophobicContact CG1-CE1 4.36Å; V559-F585 HydrophobicContact CG2-CD1 3.8Å; V559-F585 HydrophobicContact CG2-CE1 3.9Å; L576-F585 HydrophobicContact CD2-CE1 3.68Å; L576-F585 HydrophobicContact CD2-CZ 4.26Å; V583-F585 HydrophobicContact CB-CD2 4.49Å; V583-F585 HydrophobicContact CB-CE2 3.77Å; V583-F585 HydrophobicContact CB-CZ 4.3Å; V583-F585 HydrophobicContact CG1-CD2 4.08Å; V583-F585 HydrophobicContact CG1-CE1 4.4Å; V583-F585 HydrophobicContact CG1-CE2 3.42Å; V583-F585 VanDerWaalsContact CG1-CE2 3.42Å; V583-F585 HydrophobicContact CG1-CZ 3.61Å; V583-F585 WeakPolarHBondContact O-CD2 3.45Å; F585-I587 HydrophobicContact CB-CD1 3.82Å; F585-I587 HydrophobicContact CB-CG1 4.03Å; F585-I587 HydrophobicContact CD1-CD1 4.2Å; F585-I587 HydrophobicContact CG-CD1 4.31Å
586	V	96.5	Very high	86.2	Confident	36 Å²	36	70.6 Å²	70.6	22%	0.218	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.2	154.7	-178	0	0	0	0	107.3	L501 V557 E558	L501-V586 HydrophobicContact CB-CG1 4.32Å; L501-V586 HydrophobicContact CD2-CG1 4.04Å; V557-V586 HydrophobicContact CB-CB 4.38Å; V557-V586 HydrophobicContact CB-CG1 4.25Å; V557-V586 WeakPolarHBondContact CB-O 3.5Å; V557-V586 HydrophobicContact CG1-CG1 4.44Å; V557-V586 PolarHBondContact N-O 2.91Å; E558-V586 HydrophobicContact CB-CB 3.77Å; E558-V586 HydrophobicContact CB-CG2 3.83Å; E558-V586 PolarHBondContact N-O 3.45Å; E558-V586 PolarHBondContact O-N 3.47Å
587	I	96.1	Very high	85.4	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	128.4	-179.4	-56.8	-60.8	0	0	0	108.9	L501 F502 V504 I550 D554 Q555 I556 F585	L501-I587 WeakPolarHBondContact CA-O 3.49Å; F502-I587 HydrophobicContact CD1-CB 4.42Å; F502-I587 WeakPolarHBondContact CD1-O 3.45Å; F502-I587 HydrophobicContact CE1-CB 3.91Å; F502-I587 HydrophobicContact CE1-CG2 3.68Å; F502-I587 HydrophobicContact CE2-CB 4.03Å; F502-I587 HydrophobicContact CE2-CG2 4.24Å; F502-I587 HydrophobicContact CZ-CB 3.69Å; F502-I587 HydrophobicContact CZ-CG2 3.45Å; F502-I587 VanDerWaalsContact CZ-CG2 3.45Å; F502-I587 PolarHBondContact N-O 3.27Å; F502-I587 PolarHBondContact O-N 3.24Å; V504-I587 HydrophobicContact CB-CG1 4.24Å; V504-I587 HydrophobicContact CG2-CB 4.48Å; V504-I587 HydrophobicContact CG2-CG1 3.83Å; I550-I587 HydrophobicContact CD1-CD1 4.43Å; I550-I587 HydrophobicContact CG1-CG1 4.43Å; D554-I587 HydrophobicContact CB-CG2 3.7Å; Q555-I587 WeakPolarHBondContact O-CA 3.31Å; I556-I587 HydrophobicContact CG1-CD1 4.23Å; I556-I587 HydrophobicContact CG2-CD1 4.46Å; F585-I587 HydrophobicContact CB-CD1 3.82Å; F585-I587 HydrophobicContact CB-CG1 4.03Å; F585-I587 HydrophobicContact CD1-CD1 4.2Å; F585-I587 HydrophobicContact CG-CD1 4.31Å
588	G	94.2	Very high	84.7	Confident	1 Å²	1	71 Å²	71	1%	0.01	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	124.6	170	0	0	0	0	0	110.7	Q555	Q555-G588 PolarHBondContact N-O 3.41Å; Q555-G588 PolarHBondContact O-N 2.92Å
589	R	90.8	Very high	84	Confident	68 Å²	68	66.2 Å²	66.2	26%	0.257	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	147.7	173.9	179.4	176.8	-68.5	143.5	-0.8	111.1	E500 F502 R549 D554	E500-R589 PolarHBondContact N-O 2.67Å; E500-R589 PolarHBondContact O-N 2.85Å; F502-R589 HydrophobicContact CE1-CB 3.78Å; R549-R589 PolarHBondContact O-NH2 3.17Å; D554-R589 VanDerWaalsContact CG-NH2 3.28Å; D554-R589 IonicContact OD1-CZ 2.67Å; D554-R589 VanDerWaalsContact OD1-CZ 3.31Å; D554-R589 IonicContact OD1-NE 2.96Å; D554-R589 PolarHBondContact OD1-NE 3.02Å; D554-R589 IonicContact OD1-NH2 2.75Å; D554-R589 PolarHBondContact OD1-NH2 3.02Å; D554-R589 VanDerWaalsContact OD1-NH2 3.08Å; D554-R589 IonicContact OD2-CZ 3.64Å; D554-R589 IonicContact OD2-NE 2.85Å; D554-R589 IonicContact OD2-NH2 3.83Å; D554-R589 PolarHBondContact OD2-NH2 3.23Å
590	E	85.4	Confident	83.5	Confident	46 Å²	46	68.6 Å²	68.6	22%	0.215	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-70.4	137.9	175.8	-70.1	165.7	-150.8	0	0	111.2	L499 S596 A599	L499-E590 HydrophobicContact CD2-CG 3.66Å; E590-S596 WeakPolarHBondContact OE1-CB 3.37Å; E590-S596 WeakPolarHBondContact OE2-CB 3.33Å; E590-S596 PolarHBondContact OE2-N 2.75Å; E590-A599 WeakPolarHBondContact OE1-CB 3.47Å
591	R	79.3	Confident	83.1	Confident	140 Å²	140	67.5 Å²	67.5	53%	0.528	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-66.1	134.1	-178.4	-66.1	-176.7	-172.9	-174.9	3.1	110.2	E500 G593 Q594	E500-R591 HydrophobicContact CB-CG 4.33Å; R591-G593 PolarHBondContact O-N 2.68Å; R591-G593 VanDerWaalsContact O-N 3.15Å; R591-Q594 PolarHBondContact O-N 2.95Å
592	P	67.6	Low	82.6	Confident	129 Å²	129	65.6 Å²	65.6	84%	0.838	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	121.3	-178.6	-28.4	35.3	0	0	0	113
593	G	65.1	Low	82	Confident	87 Å²	87	66.4 Å²	66.4	90%	0.897	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.2	-16.6	-176.3	0	0	0	0	0	114.6	R591	R591-G593 PolarHBondContact O-N 2.68Å; R591-G593 VanDerWaalsContact O-N 3.15Å
594	Q	69.9	Low	81.4	Confident	119 Å²	119	72.2 Å²	72.2	56%	0.556	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-100.3	120	172.4	-170.1	168.6	6.4	0	0	109.4	R591	R591-Q594 PolarHBondContact O-N 2.95Å
595	Q	59.9	Low	80.9	Confident	175 Å²	175	69.1 Å²	69.1	82%	0.818	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-100.6	122.3	175.6	-66.5	-178.8	-1.8	0	0	109.7
596	S	70.7	Confident	80.2	Confident	38 Å²	38	71 Å²	71	27%	0.266	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-79.7	145.8	169.4	-173.8	0	0	0	0	112.1	E590 V598 A599 T600	E590-S596 WeakPolarHBondContact OE1-CB 3.37Å; E590-S596 WeakPolarHBondContact OE2-CB 3.33Å; E590-S596 PolarHBondContact OE2-N 2.75Å; S596-V598 PolarHBondContact O-N 3.44Å; S596-V598 PolarHBondContact OG-N 2.91Å; S596-A599 PolarHBondContact O-N 3.27Å; S596-T600 WeakPolarHBondContact O-CB 3.42Å; S596-T600 PolarHBondContact O-N 2.88Å; S596-T600 VanDerWaalsContact O-N 3.08Å; S596-T600 PolarHBondContact O-OG1 3.38Å
597	E	77	Confident	79.6	Confident	144 Å²	144	73.1 Å²	73.1	67%	0.673	39%	0.388	S	S	*	.	H	α-helix	trans	-53.3	-38	162.9	-178.4	173.6	-156.1	0	0	111	T600 L601	E597-T600 WeakPolarHBondContact O-CB 3.5Å; E597-T600 PolarHBondContact O-N 3.38Å; E597-L601 HydrophobicContact CG-CD1 4.01Å; E597-L601 VanDerWaalsContact O-CD1 3.23Å; E597-L601 WeakPolarHBondContact O-CD1 3.39Å; E597-L601 PolarHBondContact O-N 3.27Å
598	V	77.3	Confident	78.9	Confident	31 Å²	31	78.1 Å²	78.1	19%	0.188	41%	0.412	C	S	.	.	H	α-helix	trans	-67.6	-51.7	-178.2	-175.2	0	0	0	0	111.5	M520 F534 S596 T600 L601 I602	M520-V598 HydrophobicContact CB-CG1 4.38Å; M520-V598 HydrophobicContact CE-CG1 3.89Å; M520-V598 HydrophobicContact SD-CG1 4.03Å; F534-V598 HydrophobicContact CD1-CG1 4.46Å; F534-V598 HydrophobicContact CD2-CG1 4.33Å; F534-V598 HydrophobicContact CE1-CG1 3.96Å; F534-V598 HydrophobicContact CE2-CG1 3.84Å; F534-V598 HydrophobicContact CZ-CG1 3.64Å; S596-V598 PolarHBondContact O-N 3.44Å; S596-V598 PolarHBondContact OG-N 2.91Å; V598-T600 PolarHBondContact O-N 3.17Å; V598-L601 PolarHBondContact O-N 3.42Å; V598-L601 VanDerWaalsContact O-N 3.11Å; V598-I602 HydrophobicContact CG1-CD1 4.3Å; V598-I602 WeakPolarHBondContact O-CG1 3.24Å; V598-I602 PolarHBondContact O-N 3.47Å
599	A	77.9	Confident	78.3	Confident	15 Å²	15	81.7 Å²	81.7	12%	0.124	43%	0.428	C	S	.	.	H	α-helix	trans	-57.3	-37.8	174.3	0	0	0	0	0	111.7	N553 E590 S596 I602 Q603	N553-A599 HydrophobicContact CB-CB 4.27Å; E590-A599 WeakPolarHBondContact OE1-CB 3.47Å; S596-A599 PolarHBondContact O-N 3.27Å; A599-I602 PolarHBondContact O-N 2.92Å; A599-Q603 WeakPolarHBondContact O-CB 3.42Å; A599-Q603 PolarHBondContact O-N 3.03Å
600	T	81.6	Confident	78	Confident	69 Å²	69	87.2 Å²	87.2	42%	0.423	45%	0.449	S	S	.	.	H	α-helix	trans	-64.5	-41.6	175.8	-52.7	0	0	0	0	112.3	S596 E597 V598 Q603 Q604	S596-T600 WeakPolarHBondContact O-CB 3.42Å; S596-T600 PolarHBondContact O-N 2.88Å; S596-T600 VanDerWaalsContact O-N 3.08Å; S596-T600 PolarHBondContact O-OG1 3.38Å; E597-T600 WeakPolarHBondContact O-CB 3.5Å; E597-T600 PolarHBondContact O-N 3.38Å; V598-T600 PolarHBondContact O-N 3.17Å; T600-Q603 WeakPolarHBondContact O-CB 3.41Å; T600-Q603 PolarHBondContact O-N 3.29Å; T600-Q604 WeakPolarHBondContact O-CB 3.47Å; T600-Q604 PolarHBondContact O-N 3.12Å
601	L	81	Confident	77.9	Confident	77 Å²	77	92.5 Å²	92.5	40%	0.403	47%	0.467	S	S	.	.	H	α-helix	trans	-67.8	-37.2	174.8	-95.9	71.3	0	0	0	112.6	M520 E597 V598 Q604 T605	M520-L601 HydrophobicContact CE-CB 3.6Å; M520-L601 HydrophobicContact CE-CD2 4.1Å; E597-L601 HydrophobicContact CG-CD1 4.01Å; E597-L601 VanDerWaalsContact O-CD1 3.23Å; E597-L601 WeakPolarHBondContact O-CD1 3.39Å; E597-L601 PolarHBondContact O-N 3.27Å; V598-L601 PolarHBondContact O-N 3.42Å; V598-L601 VanDerWaalsContact O-N 3.11Å; L601-Q604 PolarHBondContact O-N 3.35Å; L601-T605 WeakPolarHBondContact O-CB 3.4Å; L601-T605 PolarHBondContact O-N 3.26Å; L601-T605 PolarHBondContact O-OG1 3.14Å
602	I	81.6	Confident	77.9	Confident	1 Å²	1	91.4 Å²	91.4	1%	0.005	47%	0.468	C	S	.	.	H	α-helix	trans	-62.4	-48.8	172.8	-58.8	164.9	0	0	0	109.5	I518 M520 F534 N553 V598 A599 Q604 T605 L606	I518-I602 HydrophobicContact CG2-CG1 4.42Å; M520-I602 HydrophobicContact CE-CG1 4.3Å; M520-I602 HydrophobicContact SD-CD1 4.03Å; M520-I602 HydrophobicContact SD-CG1 3.31Å; M520-I602 WeakPolarHBondContact SD-CG1 3.4Å; F534-I602 HydrophobicContact CB-CD1 3.68Å; F534-I602 HydrophobicContact CD1-CD1 4Å; F534-I602 HydrophobicContact CG-CD1 3.83Å; N553-I602 HydrophobicContact CB-CD1 4.48Å; N553-I602 WeakPolarHBondContact OD1-CB 3.23Å; N553-I602 WeakPolarHBondContact OD1-CG2 3.28Å; V598-I602 HydrophobicContact CG1-CD1 4.3Å; V598-I602 WeakPolarHBondContact O-CG1 3.24Å; V598-I602 PolarHBondContact O-N 3.47Å; A599-I602 PolarHBondContact O-N 2.92Å; I602-Q604 PolarHBondContact O-N 3.19Å; I602-T605 PolarHBondContact O-N 2.99Å; I602-T605 VanDerWaalsContact O-N 3.16Å; I602-L606 HydrophobicContact CG2-CD1 3.82Å; I602-L606 HydrophobicContact CG2-CG 4.24Å; I602-L606 WeakPolarHBondContact O-CB 3.42Å; I602-L606 WeakPolarHBondContact O-CG 3.31Å; I602-L606 PolarHBondContact O-N 2.87Å
603	Q	81.5	Confident	78.6	Confident	97 Å²	97	93.7 Å²	93.7	45%	0.453	46%	0.46	S	S	.	.	H	α-helix	trans	-54.8	-49	177.2	-165.1	80.2	22.2	0	0	111.4	N553 A599 T600 T605 L606 E607	N553-Q603 PolarHBondContact ND2-OE1 2.82Å; A599-Q603 WeakPolarHBondContact O-CB 3.42Å; A599-Q603 PolarHBondContact O-N 3.03Å; T600-Q603 WeakPolarHBondContact O-CB 3.41Å; T600-Q603 PolarHBondContact O-N 3.29Å; Q603-T605 PolarHBondContact O-N 2.64Å; Q603-L606 PolarHBondContact O-N 3.48Å; Q603-E607 WeakPolarHBondContact O-CB 3.4Å; Q603-E607 PolarHBondContact O-N 3.01Å
604	Q	83.4	Confident	79.5	Confident	121 Å²	121	93.8 Å²	93.8	57%	0.565	44%	0.437	S	S	*	.	H	α-helix	trans	-63.1	-40.1	178.1	-176.4	178.3	-1.3	0	0	112.4	T600 L601 I602 E607 Q608	T600-Q604 WeakPolarHBondContact O-CB 3.47Å; T600-Q604 PolarHBondContact O-N 3.12Å; L601-Q604 PolarHBondContact O-N 3.35Å; I602-Q604 PolarHBondContact O-N 3.19Å; Q604-E607 PolarHBondContact O-N 3.47Å; Q604-Q608 WeakPolarHBondContact O-CB 3.13Å; Q604-Q608 PolarHBondContact O-N 2.74Å
605	T	84.6	Confident	80	Confident	55 Å²	55	93 Å²	93	34%	0.337	44%	0.436	S	S	.	.	H	α-helix	trans	-66	-44.1	178.5	-56.1	0	0	0	0	111	L601 I602 Q603 Q608 E609	L601-T605 WeakPolarHBondContact O-CB 3.4Å; L601-T605 PolarHBondContact O-N 3.26Å; L601-T605 PolarHBondContact O-OG1 3.14Å; I602-T605 PolarHBondContact O-N 2.99Å; I602-T605 VanDerWaalsContact O-N 3.16Å; Q603-T605 PolarHBondContact O-N 2.64Å; T605-Q608 PolarHBondContact O-N 2.91Å; T605-E609 PolarHBondContact O-N 3.28Å
606	L	82.4	Confident	80.7	Confident	41 Å²	41	89 Å²	89	22%	0.215	42%	0.419	C	S	.	.	H	α-helix	trans	-65	-40.9	175.7	-72.4	172.8	0	0	0	112.1	K536 T537 V552 I602 Q603 Q608 E609 R610	K536-L606 HydrophobicContact CD-CD2 4.46Å; K536-L606 HydrophobicContact CG-CD2 3.82Å; T537-L606 HydrophobicContact CG2-CD2 4.39Å; V552-L606 HydrophobicContact CG1-CD1 3.81Å; I602-L606 HydrophobicContact CG2-CD1 3.82Å; I602-L606 HydrophobicContact CG2-CG 4.24Å; I602-L606 WeakPolarHBondContact O-CB 3.42Å; I602-L606 WeakPolarHBondContact O-CG 3.31Å; I602-L606 PolarHBondContact O-N 2.87Å; Q603-L606 PolarHBondContact O-N 3.48Å; L606-Q608 VanDerWaalsContact C-N 3.34Å; L606-E609 PolarHBondContact O-N 3.39Å; L606-R610 WeakPolarHBondContact O-CB 3.33Å; L606-R610 PolarHBondContact O-N 2.83Å
607	E	84	Confident	81.1	Confident	81 Å²	81	93 Å²	93	38%	0.379	43%	0.434	S	S	.	.	H	α-helix	trans	-64.3	-37.7	172.8	-81	-167.1	-141.4	0	0	112.5	Q603 Q604 R610 R611	Q603-E607 WeakPolarHBondContact O-CB 3.4Å; Q603-E607 PolarHBondContact O-N 3.01Å; Q604-E607 PolarHBondContact O-N 3.47Å; E607-R610 PolarHBondContact O-N 3.24Å; E607-R611 WeakPolarHBondContact O-CB 3.38Å; E607-R611 VanDerWaalsContact O-CG 3.24Å; E607-R611 WeakPolarHBondContact O-CG 3.39Å; E607-R611 PolarHBondContact O-N 3.34Å; E607-R611 IonicContact OE2-CZ 2.67Å; E607-R611 IonicContact OE2-NE 2.68Å; E607-R611 IonicContact OE2-NH2 3.17Å; E607-R611 PolarHBondContact OE2-NH2 2.84Å
608	Q	81.1	Confident	81.1	Confident	106 Å²	106	92 Å²	92	50%	0.495	43%	0.43	S	S	.	.	H	α-helix	trans	-65.6	-46.1	175.5	-178.5	173.4	-31.4	0	0	111.5	Q604 T605 L606 R610 R611 Q612	Q604-Q608 WeakPolarHBondContact O-CB 3.13Å; Q604-Q608 PolarHBondContact O-N 2.74Å; T605-Q608 PolarHBondContact O-N 2.91Å; L606-Q608 VanDerWaalsContact C-N 3.34Å; Q608-R610 VanDerWaalsContact C-N 3.31Å; Q608-R610 PolarHBondContact O-N 3.37Å; Q608-R611 PolarHBondContact O-N 2.96Å; Q608-Q612 WeakPolarHBondContact O-CB 3.4Å; Q608-Q612 VanDerWaalsContact O-CG 3.28Å; Q608-Q612 WeakPolarHBondContact O-CG 3.41Å; Q608-Q612 PolarHBondContact O-N 2.85Å
609	E	82.1	Confident	80.8	Confident	76 Å²	76	96 Å²	96	36%	0.355	45%	0.446	S	S	.	.	H	α-helix	trans	-60.9	-38.9	173.7	-76	-173.5	175.5	0	0	112	K536 T605 L606 Q612 R613	K536-E609 VanDerWaalsContact CE-OE2 3.27Å; K536-E609 WeakPolarHBondContact CE-OE2 3.48Å; K536-E609 IonicContact NZ-OE1 3.08Å; K536-E609 PolarHBondContact NZ-OE1 3.45Å; K536-E609 IonicContact NZ-OE2 2.67Å; K536-E609 PolarHBondContact NZ-OE2 2.9Å; T605-E609 PolarHBondContact O-N 3.28Å; L606-E609 PolarHBondContact O-N 3.39Å; E609-Q612 PolarHBondContact O-N 3.04Å; E609-R613 WeakPolarHBondContact O-CB 3.42Å; E609-R613 PolarHBondContact O-N 3.21Å
610	R	83.9	Confident	80.2	Confident	183 Å²	183	102.8 Å²	102.8	69%	0.691	47%	0.47	S	S	*	.	H	α-helix	trans	-62.9	-50.6	175.2	-178	178.9	175.4	170.9	2.8	111.6	L606 E607 Q608 Q612 R613 E614	L606-R610 WeakPolarHBondContact O-CB 3.33Å; L606-R610 PolarHBondContact O-N 2.83Å; E607-R610 PolarHBondContact O-N 3.24Å; Q608-R610 VanDerWaalsContact C-N 3.31Å; Q608-R610 PolarHBondContact O-N 3.37Å; R610-Q612 VanDerWaalsContact C-N 3.29Å; R610-Q612 PolarHBondContact O-N 3.03Å; R610-R613 WeakPolarHBondContact O-CB 3.27Å; R610-R613 PolarHBondContact O-N 2.75Å; R610-R613 VanDerWaalsContact O-N 3.17Å; R610-E614 WeakPolarHBondContact O-CB 3.02Å; R610-E614 PolarHBondContact O-N 3.49Å
611	R	83.8	Confident	79.4	Confident	158 Å²	158	102.4 Å²	102.4	60%	0.596	47%	0.473	S	S	*	.	H	α-helix	trans	-63	-35.4	178.5	-67.5	171.6	-158.6	-172.3	7.6	111.9	E607 Q608 L615	E607-R611 WeakPolarHBondContact O-CB 3.38Å; E607-R611 VanDerWaalsContact O-CG 3.24Å; E607-R611 WeakPolarHBondContact O-CG 3.39Å; E607-R611 PolarHBondContact O-N 3.34Å; E607-R611 IonicContact OE2-CZ 2.67Å; E607-R611 IonicContact OE2-NE 2.68Å; E607-R611 IonicContact OE2-NH2 3.17Å; E607-R611 PolarHBondContact OE2-NH2 2.84Å; Q608-R611 PolarHBondContact O-N 2.96Å; R611-L615 VanDerWaalsContact O-CB 3.31Å; R611-L615 WeakPolarHBondContact O-CB 3.33Å; R611-L615 PolarHBondContact O-N 2.88Å
612	Q	80.4	Confident	78.3	Confident	117 Å²	117	105.3 Å²	105.3	55%	0.547	48%	0.484	S	S	.	.	H	α-helix	trans	-67.3	-41	173.5	-75.2	178.3	-6.8	0	0	112.3	Q608 E609 R610 L616	Q608-Q612 WeakPolarHBondContact O-CB 3.4Å; Q608-Q612 VanDerWaalsContact O-CG 3.28Å; Q608-Q612 WeakPolarHBondContact O-CG 3.41Å; Q608-Q612 PolarHBondContact O-N 2.85Å; E609-Q612 PolarHBondContact O-N 3.04Å; R610-Q612 VanDerWaalsContact C-N 3.29Å; R610-Q612 PolarHBondContact O-N 3.03Å; Q612-L616 PolarHBondContact O-N 3.49Å; Q612-L616 VanDerWaalsContact O-N 3.17Å
613	R	80.8	Confident	76.9	Confident	177 Å²	177	113.4 Å²	113.4	67%	0.668	52%	0.516	S	S	*	.	H	α-helix	trans	-63.5	-49.6	174.1	-174.3	-179.1	-59.7	178.2	3.6	111.1	E609 R610 L615 L616 E617	E609-R613 WeakPolarHBondContact O-CB 3.42Å; E609-R613 PolarHBondContact O-N 3.21Å; R610-R613 WeakPolarHBondContact O-CB 3.27Å; R610-R613 PolarHBondContact O-N 2.75Å; R610-R613 VanDerWaalsContact O-N 3.17Å; R613-L615 VanDerWaalsContact C-N 3.32Å; R613-L615 PolarHBondContact O-N 2.92Å; R613-L616 CarbonylContact O-C 3.58Å; R613-L616 PolarHBondContact O-N 3.09Å; R613-L616 VanDerWaalsContact O-N 3.12Å; R613-E617 VanDerWaalsContact O-CB 3.28Å; R613-E617 WeakPolarHBondContact O-CB 3.49Å; R613-E617 PolarHBondContact O-N 2.97Å
614	E	83.8	Confident	75.6	Confident	89 Å²	89	115.5 Å²	115.5	42%	0.416	53%	0.53	S	S	.	.	H	α-helix	trans	-59.7	-39.9	-179.8	-171.2	-178.4	158.3	0	0	112.1	R610 E617 Q618	R610-E614 WeakPolarHBondContact O-CB 3.02Å; R610-E614 PolarHBondContact O-N 3.49Å; E614-E617 PolarHBondContact O-N 2.97Å; E614-Q618 WeakPolarHBondContact O-CB 3.47Å; E614-Q618 VanDerWaalsContact O-CG 3.28Å; E614-Q618 WeakPolarHBondContact O-CG 3.3Å; E614-Q618 PolarHBondContact O-N 3.37Å
615	L	81.3	Confident	74.3	Confident	101 Å²	101	113 Å²	113	53%	0.529	53%	0.531	S	S	.	.	H	α-helix	trans	-67.3	-37.7	175.8	-166.6	156.9	0	0	0	112	R611 R613 Q619	R611-L615 VanDerWaalsContact O-CB 3.31Å; R611-L615 WeakPolarHBondContact O-CB 3.33Å; R611-L615 PolarHBondContact O-N 2.88Å; R613-L615 VanDerWaalsContact C-N 3.32Å; R613-L615 PolarHBondContact O-N 2.92Å; L615-Q619 WeakPolarHBondContact O-CG 3.4Å; L615-Q619 PolarHBondContact O-N 2.79Å
616	L	73.9	Confident	72.8	Confident	91 Å²	91	116.3 Å²	116.3	48%	0.476	55%	0.546	S	S	.	.	H	α-helix	trans	-71.6	-36.6	174.2	-174.4	65.1	0	0	0	111.9	Q612 R613 Q619 Y620	Q612-L616 PolarHBondContact O-N 3.49Å; Q612-L616 VanDerWaalsContact O-N 3.17Å; R613-L616 CarbonylContact O-C 3.58Å; R613-L616 PolarHBondContact O-N 3.09Å; R613-L616 VanDerWaalsContact O-N 3.12Å; L616-Q619 WeakPolarHBondContact O-CB 3.36Å; L616-Q619 PolarHBondContact O-N 3.39Å; L616-Q619 VanDerWaalsContact O-N 3.12Å; L616-Y620 HydrophobicContact CD1-CD2 4.25Å; L616-Y620 HydrophobicContact CD1-CE2 4.13Å; L616-Y620 HydrophobicContact CG-CD2 4.24Å; L616-Y620 HydrophobicContact CG-CE2 4.38Å; L616-Y620 WeakPolarHBondContact O-CD2 3.3Å; L616-Y620 PolarHBondContact O-N 3.29Å
617	E	80.3	Confident	71.3	Confident	124 Å²	124	121.5 Å²	121.5	58%	0.579	57%	0.574	S	S	*	*	H	α-helix	trans	-65.3	-42.2	176.4	-173.1	166.6	-157.5	0	0	111	R613 E614 Q619 Y620 A621	R613-E617 VanDerWaalsContact O-CB 3.28Å; R613-E617 WeakPolarHBondContact O-CB 3.49Å; R613-E617 PolarHBondContact O-N 2.97Å; E614-E617 PolarHBondContact O-N 2.97Å; E617-Q619 VanDerWaalsContact C-N 3.25Å; E617-Q619 PolarHBondContact O-N 3.09Å; E617-Y620 PolarHBondContact O-N 3.07Å; E617-Y620 VanDerWaalsContact O-N 3.09Å; E617-A621 WeakPolarHBondContact O-CB 3.42Å; E617-A621 PolarHBondContact O-N 3.02Å
618	Q	76.6	Confident	69.6	Low	123 Å²	123	125.2 Å²	125.2	58%	0.575	60%	0.597	S	S	*	*	H	α-helix	trans	-60.5	-31.2	169.6	-72.6	173.2	27.1	0	0	113	E614	E614-Q618 WeakPolarHBondContact O-CB 3.47Å; E614-Q618 VanDerWaalsContact O-CG 3.28Å; E614-Q618 WeakPolarHBondContact O-CG 3.3Å; E614-Q618 PolarHBondContact O-N 3.37Å
619	Q	71.1	Confident	68.2	Low	113 Å²	113	128.8 Å²	128.8	53%	0.528	61%	0.613	S	S	.	*	H	α-helix	trans	-75.8	-25.8	174.2	-71.9	176.8	1.4	0	0	113.3	L615 L616 E617 Y623	L615-Q619 WeakPolarHBondContact O-CG 3.4Å; L615-Q619 PolarHBondContact O-N 2.79Å; L616-Q619 WeakPolarHBondContact O-CB 3.36Å; L616-Q619 PolarHBondContact O-N 3.39Å; L616-Q619 VanDerWaalsContact O-N 3.12Å; E617-Q619 VanDerWaalsContact C-N 3.25Å; E617-Q619 PolarHBondContact O-N 3.09Å; Q619-Y623 WeakPolarHBondContact O-CD2 3.36Å
620	Y	65.1	Low	66.5	Low	159 Å²	159	133.3 Å²	133.3	62%	0.624	64%	0.635	S	S	*	*	H	α-helix	trans	-87.6	-37.4	176.2	-93.2	-86.3	0	0	0	113	L616 E617 H622 Y623 D624	L616-Y620 HydrophobicContact CD1-CD2 4.25Å; L616-Y620 HydrophobicContact CD1-CE2 4.13Å; L616-Y620 HydrophobicContact CG-CD2 4.24Å; L616-Y620 HydrophobicContact CG-CE2 4.38Å; L616-Y620 WeakPolarHBondContact O-CD2 3.3Å; L616-Y620 PolarHBondContact O-N 3.29Å; E617-Y620 PolarHBondContact O-N 3.07Å; E617-Y620 VanDerWaalsContact O-N 3.09Å; Y620-H622 PolarHBondContact O-N 3.45Å; Y620-H622 VanDerWaalsContact O-N 3.09Å; Y620-Y623 PolarHBondContact O-N 2.71Å; Y620-D624 PolarHBondContact O-N 3.14Å
621	A	64.5	Low	64.6	Low	61 Å²	61	131.7 Å²	131.7	50%	0.504	65%	0.645	S	S	.	*	H	α-helix	trans	-60	-20.4	174.9	0	0	0	0	0	113.2	E617 Y623	E617-A621 WeakPolarHBondContact O-CB 3.42Å; E617-A621 PolarHBondContact O-N 3.02Å; A621-Y623 VanDerWaalsContact C-N 3.31Å
622	H	58.5	Low	62.7	Low	137 Å²	137	127.2 Å²	127.2	63%	0.634	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-14.3	173.7	-153.5	7.9	0	0	0	113.6	Y620	Y620-H622 PolarHBondContact O-N 3.45Å; Y620-H622 VanDerWaalsContact O-N 3.09Å
623	Y	51.8	Low	60.6	Low	171 Å²	171	131 Å²	131	67%	0.671	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-34.1	176.2	-76.6	-72.7	0	0	0	113.3	Q619 Y620 A621 A625 D626	Q619-Y623 WeakPolarHBondContact O-CD2 3.36Å; Y620-Y623 PolarHBondContact O-N 2.71Å; A621-Y623 VanDerWaalsContact C-N 3.31Å; Y623-A625 PolarHBondContact O-N 2.67Å; Y623-D626 PolarHBondContact O-N 3.02Å
624	D	54.1	Low	58.5	Low	141 Å²	141	133.7 Å²	133.7	75%	0.754	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-13.1	174.6	-75.8	-14.3	0	0	0	112.7	Y620	Y620-D624 PolarHBondContact O-N 3.14Å
625	A	55.6	Low	56.3	Low	69 Å²	69	133.5 Å²	133.5	57%	0.57	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-16.6	177.9	0	0	0	0	0	114.6	Y623	Y623-A625 PolarHBondContact O-N 2.67Å
626	D	53	Low	54.3	Low	125 Å²	125	134.9 Å²	134.9	67%	0.668	70%	0.704	S	S	*	*	S	Bend	trans	-100.8	-13.1	-167.5	-86.2	1.3	0	0	0	114.5	Y623	Y623-D626 PolarHBondContact O-N 3.02Å
627	D	50.8	Low	52.7	Low	150 Å²	150	137.7 Å²	137.7	80%	0.802	72%	0.72	S	S	*	*	S	Bend	trans	-99.9	-10.4	-168.9	-147.2	30.4	0	0	0	114.7
628	D	49.5	Very low	51	Low	159 Å²	159	139 Å²	139	85%	0.85	73%	0.731	S	S	*	*	S	Bend	trans	-106.8	-6.7	-167.2	-124.4	12.6	0	0	0	115.8
629	E	50.9	Low	49.5	Very low	181 Å²	181	141.8 Å²	141.8	85%	0.846	74%	0.743	S	S	*	*			trans	-105.1	0.9	-178.3	-73.9	-153.2	151.3	0	0	116.1	T631	E629-T631 PolarHBondContact O-N 3.34Å
630	Q	46.3	Very low	48.1	Very low	171 Å²	171	144.4 Å²	144.4	80%	0.799	76%	0.756	S	S	*	*			trans	-79	37.8	-171.5	-163	54.4	102.4	0	0	115.5
631	T	45.4	Very low	46.8	Very low	148 Å²	148	143.1 Å²	143.1	91%	0.908	77%	0.765	S	S	*	*	S	Bend	trans	-142.1	55.2	174.1	-22.2	0	0	0	0	115.3	E629	E629-T631 PolarHBondContact O-N 3.34Å
632	G	42.5	Very low	45.4	Very low	64 Å²	64	143.4 Å²	143.4	66%	0.66	77%	0.773	S	S	*	*			trans	-149.5	151.2	175.1	0	0	0	0	0	114.2
633	E	36.3	Very low	44.3	Very low	196 Å²	196	142.7 Å²	142.7	92%	0.916	78%	0.784	S	S	*	*			trans	-34.9	135.8	179.7	-55.4	172.8	144.9	0	0	114.9
634	Y	36.4	Very low	43.4	Very low	235 Å²	235	141.7 Å²	141.7	92%	0.922	80%	0.796	S	S	*	*			cis	70.3	65	34.7	-145	-65.8	0	0	0	115.4
635	A	39.2	Very low	42.7	Very low	85 Å²	85	139.6 Å²	139.6	70%	0.702	80%	0.798	S	S	*	*			trans	-161.7	156.8	154	0	0	0	0	0	112.5
636	T	38.7	Very low	41.5	Very low	129 Å²	129	139.8 Å²	139.8	79%	0.791	81%	0.807	S	S	*	*			trans	30.3	113.1	155.1	52.1	0	0	0	0	119
637	D	40.2	Very low	40.7	Very low	151 Å²	151	137.2 Å²	137.2	81%	0.807	81%	0.81	S	S	*	*				73.1	149.3	50.4	-152.6	14.4	0	0	0	114.5
638	D	44.2	Very low	39.7	Very low	152 Å²	152	138.5 Å²	138.5	81%	0.813	81%	0.811	S	S	*	*			trans	73.4	158.4	178.7	-80.8	-43.6	0	0	0	121.4
639	E	45.1	Very low	39.3	Very low	180 Å²	180	140.4 Å²	140.4	84%	0.841	81%	0.812	S	S	*	*			trans	-94.5	174.3	-164	-70.4	-106.9	-171.4	0	0	115.2
640	E	42.9	Very low	38.4	Very low	168 Å²	168	136 Å²	136	79%	0.785	80%	0.801	S	S	*	*			trans	79.5	144	150	-137.4	-173	139.4	0	0	120.9
641	T	36	Very low	38	Very low	133 Å²	133	134.1 Å²	134.1	82%	0.816	80%	0.795	S	S	*	*			trans	74	154.7	166.7	78.3	0	0	0	0	119
642	G	35.6	Very low	37.6	Very low	66 Å²	66	135.9 Å²	135.9	68%	0.68	79%	0.793	S	S	*	*			trans	111.3	69.2	156.8	0	0	0	0	0	119.2
643	S	35.8	Very low	37.6	Very low	122 Å²	122	137.2 Å²	137.2	85%	0.853	79%	0.788	S	S	*	*			trans	-154.2	52.5	153.8	-87.8	0	0	0	0	113.5	A645	S643-A645 PolarHBondContact O-N 3.14Å
644	T	33.1	Very low	37.6	Very low	151 Å²	151	135.9 Å²	135.9	93%	0.926	78%	0.779	S	S	*	*			trans	-76.7	96.7	163.8	46.2	0	0	0	0	110
645	A	39	Very low	37.7	Very low	96 Å²	96	132 Å²	132	79%	0.793	78%	0.775	S	S	*	*			trans	-132.4	12.2	178.5	0	0	0	0	0	114.5	S643 G647	S643-A645 PolarHBondContact O-N 3.14Å; A645-G647 PolarHBondContact O-N 3.44Å
646	G	31.8	Very low	37.9	Very low	74 Å²	74	133.6 Å²	133.6	76%	0.763	77%	0.771	S	S	*	*	S	Bend	trans	-79.2	92.8	166.3	0	0	0	0	0	109.7	E648	G646-E648 PolarHBondContact O-N 3.18Å
647	G	34.2	Very low	38.2	Very low	71 Å²	71	133.1 Å²	133.1	73%	0.732	77%	0.77	S	S	*	*			trans	-66.8	86.4	-171.6	0	0	0	0	0	114.5	A645 K649	A645-G647 PolarHBondContact O-N 3.44Å; G647-K649 PolarHBondContact O-N 3.08Å
648	E	30.9	Very low	38.6	Very low	176 Å²	176	133.7 Å²	133.7	82%	0.822	77%	0.768	S	S	*	*			trans	-60.8	99.8	162.3	-72.5	-164	130.1	0	0	109.1	G646 S650	G646-E648 PolarHBondContact O-N 3.18Å; E648-S650 PolarHBondContact O-N 3.06Å
649	K	41.3	Very low	38.8	Very low	200 Å²	200	131.7 Å²	131.7	87%	0.87	76%	0.761	S	S	*	*			trans	-73.5	72	160.8	-70.1	179.9	-179.7	176.3	0	108.1	G647 I651	G647-K649 PolarHBondContact O-N 3.08Å; K649-I651 PolarHBondContact O-N 3.08Å; K649-I651 VanDerWaalsContact O-N 3.11Å
650	S	32.3	Very low	38.9	Very low	88 Å²	88	132.1 Å²	132.1	62%	0.615	76%	0.763	S	S	*	*			trans	-44.3	117.1	158.9	-65.1	0	0	0	0	107.4	E648 E652	E648-S650 PolarHBondContact O-N 3.06Å; S650-E652 PolarHBondContact O-N 3.06Å
651	I	37.7	Very low	38.9	Very low	132 Å²	132	130.5 Å²	130.5	68%	0.677	76%	0.76	S	S	*	*			trans	-79.8	95.9	179.8	-128.1	167.5	0	0	0	105.8	K649 V653	K649-I651 PolarHBondContact O-N 3.08Å; K649-I651 VanDerWaalsContact O-N 3.11Å; I651-V653 HydrophobicContact CG1-CG2 4.35Å; I651-V653 HydrophobicContact CG2-CB 4.23Å; I651-V653 HydrophobicContact CG2-CG2 4.06Å; I651-V653 PolarHBondContact O-N 3.47Å
652	E	37.7	Very low	39.6	Very low	185 Å²	185	131.9 Å²	131.9	86%	0.864	76%	0.76	S	S	*	*			trans	-66.5	74.6	176.1	-69.2	-180	157.6	0	0	109.5	S650	S650-E652 PolarHBondContact O-N 3.06Å
653	V	41.7	Very low	40.1	Very low	92 Å²	92	133.6 Å²	133.6	56%	0.558	75%	0.753	S	S	*	*			trans	-135	94.5	-179.1	-175.6	0	0	0	0	107.1	I651	I651-V653 HydrophobicContact CG1-CG2 4.35Å; I651-V653 HydrophobicContact CG2-CB 4.23Å; I651-V653 HydrophobicContact CG2-CG2 4.06Å; I651-V653 PolarHBondContact O-N 3.47Å
654	F	35.3	Very low	40.6	Very low	168 Å²	168	131.2 Å²	131.2	74%	0.737	74%	0.737	S	S	*	*			trans	77.8	67.7	-172.5	-53	-71.7	0	0	0	116.6
655	D	39.3	Very low	41.5	Very low	153 Å²	153	130 Å²	130	82%	0.818	73%	0.731	S	S	*	*				-58.7	142.1	126.7	-97.1	-36.8	0	0	0	109.3
656	L	43.5	Very low	42	Very low	119 Å²	119	130.5 Å²	130.5	62%	0.623	73%	0.729	S	S	*	*			trans	-91	135.7	-172.6	-63.9	80	0	0	0	111.5	E658	L656-E658 HydrophobicContact CB-CB 3.86Å; L656-E658 HydrophobicContact CD2-CB 4.04Å; L656-E658 HydrophobicContact CD2-CG 4.31Å; L656-E658 PolarHBondContact O-N 3.49Å
657	P	44.6	Very low	43.2	Very low	118 Å²	118	133.5 Å²	133.5	77%	0.766	72%	0.723	S	S	*	*			trans	-74.5	75.2	144.9	32.8	-30.2	0	0	0	108.4	T659	P657-T659 PolarHBondContact O-N 3.23Å
658	E	49.1	Very low	44.3	Very low	164 Å²	164	134.6 Å²	134.6	77%	0.766	71%	0.712	S	S	*	*			trans	-87.1	42.1	173.4	-157	170.3	-123.9	0	0	111.7	L656	L656-E658 HydrophobicContact CB-CB 3.86Å; L656-E658 HydrophobicContact CD2-CB 4.04Å; L656-E658 HydrophobicContact CD2-CG 4.31Å; L656-E658 PolarHBondContact O-N 3.49Å
659	T	48.9	Very low	46.1	Very low	109 Å²	109	130.1 Å²	130.1	67%	0.669	69%	0.694	S	S	*	*			trans	-142.4	145.5	174.3	51.2	0	0	0	0	109.2	P657	P657-T659 PolarHBondContact O-N 3.23Å
660	E	47	Very low	47.8	Very low	190 Å²	190	124.2 Å²	124.2	89%	0.888	68%	0.682	S	S	*	*	S	Bend	trans	66.6	61.1	174.7	-56.4	-174.3	-153.6	0	0	115.5
661	D	43.3	Very low	50.1	Low	134 Å²	134	124.1 Å²	124.1	72%	0.717	68%	0.678	S	S	*	*				-161.7	108.8	104.7	-126.6	-16.1	0	0	0	113	L663	D661-L663 HydrophobicContact CB-CD2 4.11Å; D661-L663 HydrophobicContact CB-CG 4.1Å; D661-L663 PolarHBondContact O-N 2.91Å; D661-L663 WeakPolarHBondContact OD2-CD2 3.12Å
662	I	50.2	Low	52.2	Low	162 Å²	162	122.7 Å²	122.7	83%	0.831	67%	0.667	S	S	*	*			trans	-82.7	73.2	169.5	-54.7	179.3	0	0	0	107.7	S664	I662-S664 PolarHBondContact O-N 2.84Å
663	L	44.9	Very low	54.3	Low	101 Å²	101	118.6 Å²	118.6	53%	0.529	65%	0.651	S	S	.	*			trans	-61.4	103.2	177.5	-65.6	-176.2	0	0	0	110	D661	D661-L663 HydrophobicContact CB-CD2 4.11Å; D661-L663 HydrophobicContact CB-CG 4.1Å; D661-L663 PolarHBondContact O-N 2.91Å; D661-L663 WeakPolarHBondContact OD2-CD2 3.12Å
664	S	47.6	Very low	56.4	Low	72 Å²	72	120.7 Å²	120.7	50%	0.503	65%	0.649	S	S	.	*			trans	-59.9	137.5	174.1	-72.4	0	0	0	0	109.7	I662 S666 E667	I662-S664 PolarHBondContact O-N 2.84Å; S664-S666 PolarHBondContact O-N 2.98Å; S664-E667 PolarHBondContact O-N 3.45Å
665	P	51	Low	58.8	Low	125 Å²	125	119 Å²	119	81%	0.812	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-57.7	-6.5	-174.3	-29.4	36.4	0	0	0	116.8
666	S	49.1	Very low	60.9	Low	108 Å²	108	117.9 Å²	117.9	76%	0.755	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-78.5	-12.4	178.6	46.5	0	0	0	0	115.7	S664	S664-S666 PolarHBondContact O-N 2.98Å
667	E	57	Low	63.1	Low	136 Å²	136	117.7 Å²	117.7	64%	0.636	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-112.2	13.5	-178.6	-62.3	-157.3	151	0	0	115	S664 D669 K672	S664-E667 PolarHBondContact O-N 3.45Å; E667-D669 PolarHBondContact O-N 3.11Å; E667-K672 PolarHBondContact O-NZ 3.15Å; E667-K672 VanDerWaalsContact O-NZ 3.12Å
668	L	57.1	Low	65.2	Low	94 Å²	94	117.5 Å²	117.5	49%	0.492	61%	0.61	S	S	.	*			trans	-87	87.4	-173.8	-144.3	82.7	0	0	0	112.1	L673	L668-L673 HydrophobicContact CD2-CB 4.37Å; L668-L673 HydrophobicContact CD2-CD1 4.36Å; L668-L673 HydrophobicContact CD2-CD2 4.42Å
669	D	69.6	Low	67	Low	83 Å²	83	113 Å²	113	44%	0.444	59%	0.589	S	S	.	*			trans	-67.8	145.3	167.3	178.2	40	0	0	0	111.5	E667 T671 K672 L673	E667-D669 PolarHBondContact O-N 3.11Å; D669-T671 PolarHBondContact O-N 3.06Å; D669-T671 WeakPolarHBondContact OD2-CB 3.48Å; D669-T671 VanDerWaalsContact OD2-CG2 3.3Å; D669-T671 WeakPolarHBondContact OD2-CG2 3.22Å; D669-T671 PolarHBondContact OD2-N 3.49Å; D669-T671 PolarHBondContact OD2-OG1 3.45Å; D669-K672 HydrophobicContact CB-CG 4.43Å; D669-K672 WeakPolarHBondContact O-CB 3.39Å; D669-K672 PolarHBondContact O-N 3.3Å; D669-L673 PolarHBondContact O-N 2.88Å
670	A	77.6	Confident	68.9	Low	76 Å²	76	113.3 Å²	113.3	63%	0.628	59%	0.586	S	S	*	*	H	α-helix	trans	-60	-29.5	-177.5	0	0	0	0	0	112.7	Y674	A670-Y674 PolarHBondContact O-N 3.33Å; A670-Y674 VanDerWaalsContact O-N 3.07Å
671	T	80.3	Confident	71.1	Confident	86 Å²	86	108 Å²	108	53%	0.528	56%	0.561	S	S	.	*	H	α-helix	trans	-65.7	-41.9	175.6	69	0	0	0	0	112.1	D669 Y674 Q675	D669-T671 PolarHBondContact O-N 3.06Å; D669-T671 WeakPolarHBondContact OD2-CB 3.48Å; D669-T671 VanDerWaalsContact OD2-CG2 3.3Å; D669-T671 WeakPolarHBondContact OD2-CG2 3.22Å; D669-T671 PolarHBondContact OD2-N 3.49Å; D669-T671 PolarHBondContact OD2-OG1 3.45Å; T671-Y674 PolarHBondContact O-N 3.42Å; T671-Q675 WeakPolarHBondContact O-CG 3.49Å; T671-Q675 PolarHBondContact O-N 2.7Å
672	K	80.9	Confident	73.5	Confident	101 Å²	101	106.8 Å²	106.8	44%	0.439	55%	0.553	S	S	.	*	H	α-helix	trans	-64.8	-41.8	177.7	-60.5	179.8	-176.3	174.2	0	111.2	E667 D669 Q675 K676	E667-K672 PolarHBondContact O-NZ 3.15Å; E667-K672 VanDerWaalsContact O-NZ 3.12Å; D669-K672 HydrophobicContact CB-CG 4.43Å; D669-K672 WeakPolarHBondContact O-CB 3.39Å; D669-K672 PolarHBondContact O-N 3.3Å; K672-Q675 PolarHBondContact O-N 3.1Å; K672-K676 PolarHBondContact O-N 3.34Å
673	L	83.5	Confident	75.4	Confident	100 Å²	100	104 Å²	104	52%	0.524	54%	0.535	S	S	.	.	H	α-helix	trans	-64.9	-40	176.9	-178.1	59.2	0	0	0	111.7	L668 D669 K676 F677	L668-L673 HydrophobicContact CD2-CB 4.37Å; L668-L673 HydrophobicContact CD2-CD1 4.36Å; L668-L673 HydrophobicContact CD2-CD2 4.42Å; D669-L673 PolarHBondContact O-N 2.88Å; L673-K676 PolarHBondContact O-N 3.04Å; L673-F677 WeakPolarHBondContact O-CB 3.42Å; L673-F677 PolarHBondContact O-N 3.32Å
674	Y	85.8	Confident	77.7	Confident	135 Å²	135	104.3 Å²	104.3	53%	0.529	53%	0.534	S	S	.	.	H	α-helix	trans	-63.9	-41	173.9	-172.2	-92.9	0	0	0	112.3	A670 T671 F677 R678	A670-Y674 PolarHBondContact O-N 3.33Å; A670-Y674 VanDerWaalsContact O-N 3.07Å; T671-Y674 PolarHBondContact O-N 3.42Å; Y674-F677 PolarHBondContact O-N 3.49Å; Y674-R678 HydrophobicContact CD1-CG 4.11Å; Y674-R678 HydrophobicContact CE1-CG 3.7Å; Y674-R678 WeakPolarHBondContact O-CG 3.42Å; Y674-R678 PolarHBondContact O-N 2.93Å; Y674-R678 PolarHBondContact OH-NE 3.04Å; Y674-R678 PolarHBondContact OH-NH2 3.49Å
675	Q	85	Confident	80	Confident	134 Å²	134	104.6 Å²	104.6	63%	0.626	53%	0.533	S	S	*	.	H	α-helix	trans	-60.4	-47.1	173.3	-75.5	178.3	-16.4	0	0	111.8	T671 K672 F677 R678 E679	T671-Q675 WeakPolarHBondContact O-CG 3.49Å; T671-Q675 PolarHBondContact O-N 2.7Å; K672-Q675 PolarHBondContact O-N 3.1Å; Q675-F677 PolarHBondContact O-N 2.84Å; Q675-R678 PolarHBondContact O-N 3.31Å; Q675-E679 WeakPolarHBondContact O-CB 3.46Å; Q675-E679 PolarHBondContact O-N 2.96Å
676	K	83.9	Confident	82.1	Confident	128 Å²	128	102.6 Å²	102.6	56%	0.557	52%	0.518	S	S	*	.	H	α-helix	trans	-64.7	-36.8	177.3	-76.9	-73.3	169.4	-165.9	0	113	K672 L673 E679 L680	K672-K676 PolarHBondContact O-N 3.34Å; L673-K676 PolarHBondContact O-N 3.04Å; K676-E679 WeakPolarHBondContact CD-OE2 3.5Å; K676-E679 WeakPolarHBondContact CE-OE2 3.45Å; K676-E679 IonicContact NZ-OE1 3.51Å; K676-E679 IonicContact NZ-OE2 2.68Å; K676-E679 PolarHBondContact NZ-OE2 3.39Å; K676-E679 PolarHBondContact O-N 2.92Å; K676-L680 WeakPolarHBondContact O-CB 3.42Å; K676-L680 PolarHBondContact O-N 3.5Å
677	F	87.9	Confident	84.1	Confident	116 Å²	116	101.2 Å²	101.2	51%	0.509	51%	0.505	S	S	.	.	H	α-helix	trans	-63.6	-41.2	171.8	179.9	-99.5	0	0	0	112.2	L673 Y674 Q675 L680 Q681	L673-F677 WeakPolarHBondContact O-CB 3.42Å; L673-F677 PolarHBondContact O-N 3.32Å; Y674-F677 PolarHBondContact O-N 3.49Å; Q675-F677 PolarHBondContact O-N 2.84Å; F677-L680 PolarHBondContact O-N 2.95Å; F677-Q681 VanDerWaalsContact O-CB 3.3Å; F677-Q681 WeakPolarHBondContact O-CB 3.37Å; F677-Q681 PolarHBondContact O-N 3.27Å
678	R	89.9	Confident	85.8	Confident	114 Å²	114	99.4 Å²	99.4	43%	0.43	50%	0.496	S	S	.	.	H	α-helix	trans	-67.5	-39.6	174.9	-73.7	-59.2	-160.5	165.6	12.4	112.9	Y674 Q675 Q681 I682	Y674-R678 HydrophobicContact CD1-CG 4.11Å; Y674-R678 HydrophobicContact CE1-CG 3.7Å; Y674-R678 WeakPolarHBondContact O-CG 3.42Å; Y674-R678 PolarHBondContact O-N 2.93Å; Y674-R678 PolarHBondContact OH-NE 3.04Å; Y674-R678 PolarHBondContact OH-NH2 3.49Å; Q675-R678 PolarHBondContact O-N 3.31Å; R678-Q681 PolarHBondContact O-N 2.92Å; R678-I682 WeakPolarHBondContact O-CG1 3.44Å; R678-I682 PolarHBondContact O-N 3.16Å
679	E	85.4	Confident	87.6	Confident	69 Å²	69	97.8 Å²	97.8	32%	0.322	50%	0.497	S	S	.	.	H	α-helix	trans	-59.3	-47.1	173.4	-168.9	-162.3	133.3	0	0	111	Q675 K676 I682 K683	Q675-E679 WeakPolarHBondContact O-CB 3.46Å; Q675-E679 PolarHBondContact O-N 2.96Å; K676-E679 WeakPolarHBondContact CD-OE2 3.5Å; K676-E679 WeakPolarHBondContact CE-OE2 3.45Å; K676-E679 IonicContact NZ-OE1 3.51Å; K676-E679 IonicContact NZ-OE2 2.68Å; K676-E679 PolarHBondContact NZ-OE2 3.39Å; K676-E679 PolarHBondContact O-N 2.92Å; E679-I682 PolarHBondContact O-N 3.18Å; E679-K683 HydrophobicContact CG-CD 4.41Å; E679-K683 WeakPolarHBondContact O-CB 3.48Å; E679-K683 WeakPolarHBondContact O-CG 3.21Å; E679-K683 PolarHBondContact O-N 2.77Å; E679-K683 WeakPolarHBondContact OE1-CE 3.4Å; E679-K683 IonicContact OE1-NZ 3.43Å; E679-K683 PolarHBondContact OE1-NZ 2.66Å
680	L	90.3	Very high	88.8	Confident	116 Å²	116	97 Å²	97	61%	0.607	49%	0.491	S	S	*	.	H	α-helix	trans	-62.5	-42.4	175.9	-170.7	74.7	0	0	0	112	K676 F677 K683 H684	K676-L680 WeakPolarHBondContact O-CB 3.42Å; K676-L680 PolarHBondContact O-N 3.5Å; F677-L680 PolarHBondContact O-N 2.95Å; L680-K683 PolarHBondContact O-N 2.94Å; L680-H684 WeakPolarHBondContact O-CB 3.37Å; L680-H684 PolarHBondContact O-N 2.73Å
681	Q	92.8	Very high	89.6	Confident	79 Å²	79	97.3 Å²	97.3	37%	0.369	48%	0.481	S	S	.	.	H	α-helix	trans	-64.7	-40.4	178.9	-173	170.9	57.8	0	0	111.9	F677 R678 H684 T685	F677-Q681 VanDerWaalsContact O-CB 3.3Å; F677-Q681 WeakPolarHBondContact O-CB 3.37Å; F677-Q681 PolarHBondContact O-N 3.27Å; R678-Q681 PolarHBondContact O-N 2.92Å; Q681-H684 PolarHBondContact O-N 3.26Å; Q681-T685 PolarHBondContact O-N 2.88Å; Q681-T685 VanDerWaalsContact O-N 3.13Å; Q681-T685 PolarHBondContact O-OG1 2.84Å
682	I	93	Very high	90.4	Very high	107 Å²	107	98.6 Å²	98.6	55%	0.549	48%	0.481	S	S	.	.	H	α-helix	trans	-63.7	-49.6	172.6	-68.2	164.6	0	0	0	109.9	R678 E679 H684 T685 V686	R678-I682 WeakPolarHBondContact O-CG1 3.44Å; R678-I682 PolarHBondContact O-N 3.16Å; E679-I682 PolarHBondContact O-N 3.18Å; I682-H684 VanDerWaalsContact C-N 3.3Å; I682-H684 PolarHBondContact O-N 2.82Å; I682-T685 PolarHBondContact O-N 2.64Å; I682-T685 VanDerWaalsContact O-N 3.1Å; I682-T685 PolarHBondContact O-OG1 3.24Å; I682-V686 HydrophobicContact CG2-CG2 4.38Å; I682-V686 WeakPolarHBondContact O-CG2 3.32Å; I682-V686 PolarHBondContact O-N 3.35Å
683	K	91.8	Very high	91.1	Very high	104 Å²	104	98.9 Å²	98.9	45%	0.452	48%	0.482	S	S	.	.	H	α-helix	trans	-54.1	-44.1	177.1	-78	172.3	168.8	175	0	112.2	E679 L680 V686 T687	E679-K683 HydrophobicContact CG-CD 4.41Å; E679-K683 WeakPolarHBondContact O-CB 3.48Å; E679-K683 WeakPolarHBondContact O-CG 3.21Å; E679-K683 PolarHBondContact O-N 2.77Å; E679-K683 WeakPolarHBondContact OE1-CE 3.4Å; E679-K683 IonicContact OE1-NZ 3.43Å; E679-K683 PolarHBondContact OE1-NZ 2.66Å; L680-K683 PolarHBondContact O-N 2.94Å; K683-V686 PolarHBondContact O-N 3.05Å; K683-T687 PolarHBondContact O-N 3.44Å; K683-T687 PolarHBondContact O-OG1 3.4Å
684	H	92.8	Very high	91.7	Very high	108 Å²	108	98.9 Å²	98.9	50%	0.5	48%	0.482	S	S	.	.	H	α-helix	trans	-59.3	-49.1	174.7	-169	-76.4	0	0	0	112.3	L680 Q681 I682 V686 T687 E688	L680-H684 WeakPolarHBondContact O-CB 3.37Å; L680-H684 PolarHBondContact O-N 2.73Å; Q681-H684 PolarHBondContact O-N 3.26Å; I682-H684 VanDerWaalsContact C-N 3.3Å; I682-H684 PolarHBondContact O-N 2.82Å; H684-V686 VanDerWaalsContact C-N 3.26Å; H684-V686 PolarHBondContact O-N 3.25Å; H684-T687 PolarHBondContact O-N 2.91Å; H684-T687 PolarHBondContact O-OG1 3.42Å; H684-T687 VanDerWaalsContact O-OG1 3.05Å; H684-E688 IonicContact CE1-OE1 3.91Å; H684-E688 IonicContact CE1-OE2 2.71Å; H684-E688 PolarHBondContact CE1-OE2 3.07Å; H684-E688 VanDerWaalsContact CE1-OE2 3.26Å; H684-E688 IonicContact ND1-OE1 2.67Å; H684-E688 IonicContact ND1-OE2 2.83Å; H684-E688 PolarHBondContact ND1-OE2 2.9Å; H684-E688 WeakPolarHBondContact O-CB 3.4Å; H684-E688 WeakPolarHBondContact O-CG 3.28Å; H684-E688 PolarHBondContact O-N 2.71Å
685	T	95.2	Very high	92.3	Very high	78 Å²	78	98 Å²	98	48%	0.479	48%	0.481	S	S	.	.	H	α-helix	trans	-64.9	-30	179.2	56	0	0	0	0	113.3	Q681 I682 A689	Q681-T685 PolarHBondContact O-N 2.88Å; Q681-T685 VanDerWaalsContact O-N 3.13Å; Q681-T685 PolarHBondContact O-OG1 2.84Å; I682-T685 PolarHBondContact O-N 2.64Å; I682-T685 VanDerWaalsContact O-N 3.1Å; I682-T685 PolarHBondContact O-OG1 3.24Å; T685-A689 WeakPolarHBondContact O-CB 3.32Å; T685-A689 PolarHBondContact O-N 3.37Å; T685-A689 VanDerWaalsContact O-N 3.11Å
686	V	95.1	Very high	92.8	Very high	83 Å²	83	96 Å²	96	50%	0.503	48%	0.478	S	S	.	.	H	α-helix	trans	-71.7	-45.4	174.5	172.9	0	0	0	0	111.1	I682 K683 H684 A689 E690	I682-V686 HydrophobicContact CG2-CG2 4.38Å; I682-V686 WeakPolarHBondContact O-CG2 3.32Å; I682-V686 PolarHBondContact O-N 3.35Å; K683-V686 PolarHBondContact O-N 3.05Å; H684-V686 VanDerWaalsContact C-N 3.26Å; H684-V686 PolarHBondContact O-N 3.25Å; V686-A689 PolarHBondContact O-N 3.42Å; V686-E690 PolarHBondContact O-N 3.44Å
687	T	90.6	Very high	93.4	Very high	79 Å²	79	95.9 Å²	95.9	49%	0.485	48%	0.477	S	S	.	.	H	α-helix	trans	-68	-34.7	177.5	55.7	0	0	0	0	112.2	K683 H684 E690 I691	K683-T687 PolarHBondContact O-N 3.44Å; K683-T687 PolarHBondContact O-OG1 3.4Å; H684-T687 PolarHBondContact O-N 2.91Å; H684-T687 PolarHBondContact O-OG1 3.42Å; H684-T687 VanDerWaalsContact O-OG1 3.05Å; T687-E690 PolarHBondContact O-N 2.9Å; T687-I691 WeakPolarHBondContact O-CB 3.3Å; T687-I691 WeakPolarHBondContact O-CD1 3.47Å; T687-I691 WeakPolarHBondContact O-CG1 3.18Å; T687-I691 PolarHBondContact O-N 3.47Å
688	E	94.1	Very high	93.8	Very high	97 Å²	97	96.2 Å²	96.2	45%	0.453	48%	0.484	S	S	.	.	H	α-helix	trans	-59.9	-45.7	169.5	-75.7	-179.8	114.5	0	0	111.9	H684 I691 Q692	H684-E688 IonicContact CE1-OE1 3.91Å; H684-E688 IonicContact CE1-OE2 2.71Å; H684-E688 PolarHBondContact CE1-OE2 3.07Å; H684-E688 VanDerWaalsContact CE1-OE2 3.26Å; H684-E688 IonicContact ND1-OE1 2.67Å; H684-E688 IonicContact ND1-OE2 2.83Å; H684-E688 PolarHBondContact ND1-OE2 2.9Å; H684-E688 WeakPolarHBondContact O-CB 3.4Å; H684-E688 WeakPolarHBondContact O-CG 3.28Å; H684-E688 PolarHBondContact O-N 2.71Å; E688-I691 PolarHBondContact O-N 3.13Å; E688-Q692 WeakPolarHBondContact O-CG 3.46Å; E688-Q692 PolarHBondContact O-N 3.14Å
689	A	93.9	Very high	94.2	Very high	60 Å²	60	93.2 Å²	93.2	50%	0.496	48%	0.483	S	S	.	.	H	α-helix	trans	-63.9	-40.9	177.1	0	0	0	0	0	112.4	T685 V686 Q692 K693	T685-A689 WeakPolarHBondContact O-CB 3.32Å; T685-A689 PolarHBondContact O-N 3.37Å; T685-A689 VanDerWaalsContact O-N 3.11Å; V686-A689 PolarHBondContact O-N 3.42Å; A689-Q692 PolarHBondContact O-N 3.03Å; A689-K693 VanDerWaalsContact O-CB 3.32Å; A689-K693 WeakPolarHBondContact O-CB 3.41Å; A689-K693 PolarHBondContact O-N 3.47Å
690	E	94.6	Very high	94.7	Very high	68 Å²	68	93.5 Å²	93.5	32%	0.318	49%	0.493	S	S	.	.	H	α-helix	trans	-61.7	-44.5	173.6	-162.9	87	-103.3	0	0	111.1	V686 T687 Q692 K693 L694	V686-E690 PolarHBondContact O-N 3.44Å; T687-E690 PolarHBondContact O-N 2.9Å; E690-Q692 VanDerWaalsContact C-N 3.34Å; E690-Q692 PolarHBondContact O-N 2.68Å; E690-K693 CarbonylContact O-C 3.59Å; E690-K693 WeakPolarHBondContact O-CB 3.4Å; E690-K693 PolarHBondContact O-N 3.47Å; E690-K693 IonicContact OE1-NZ 3.77Å; E690-K693 PolarHBondContact OE1-NZ 3.1Å; E690-L694 HydrophobicContact CG-CD1 4.46Å; E690-L694 WeakPolarHBondContact O-CG 3.48Å; E690-L694 PolarHBondContact O-N 3.36Å
691	I	95.4	Very high	95	Very high	82 Å²	82	92.2 Å²	92.2	42%	0.421	49%	0.49	S	S	.	.	H	α-helix	trans	-61.7	-40.2	176.4	-72.6	164.5	0	0	0	111.3	T687 E688 L694 K695	T687-I691 WeakPolarHBondContact O-CB 3.3Å; T687-I691 WeakPolarHBondContact O-CD1 3.47Å; T687-I691 WeakPolarHBondContact O-CG1 3.18Å; T687-I691 PolarHBondContact O-N 3.47Å; E688-I691 PolarHBondContact O-N 3.13Å; I691-L694 PolarHBondContact O-N 3.03Å; I691-K695 HydrophobicContact CG2-CD 4.05Å; I691-K695 WeakPolarHBondContact O-CB 3.34Å; I691-K695 VanDerWaalsContact O-CG 3.28Å; I691-K695 WeakPolarHBondContact O-CG 3.44Å; I691-K695 PolarHBondContact O-N 3.24Å
692	Q	96	Very high	95.2	Very high	113 Å²	113	92 Å²	92	53%	0.528	49%	0.489	S	S	.	.	H	α-helix	trans	-69.3	-36.5	175.5	-63.2	-64.9	4.9	0	0	112.4	E688 A689 E690 L694 K695 T696	E688-Q692 WeakPolarHBondContact O-CG 3.46Å; E688-Q692 PolarHBondContact O-N 3.14Å; A689-Q692 PolarHBondContact O-N 3.03Å; E690-Q692 VanDerWaalsContact C-N 3.34Å; E690-Q692 PolarHBondContact O-N 2.68Å; Q692-L694 VanDerWaalsContact C-N 3.35Å; Q692-K695 PolarHBondContact O-N 3.13Å; Q692-T696 WeakPolarHBondContact O-CB 3.5Å; Q692-T696 WeakPolarHBondContact O-CG2 3.35Å; Q692-T696 PolarHBondContact O-N 2.98Å; Q692-T696 PolarHBondContact O-OG1 2.94Å
693	K	96.7	Very high	95.4	Very high	107 Å²	107	94 Å²	94	47%	0.465	49%	0.494	S	S	.	.	H	α-helix	trans	-65	-34.9	172.8	177.5	-178.4	165.3	-151.8	0	112.2	A689 E690 T696 K697	A689-K693 VanDerWaalsContact O-CB 3.32Å; A689-K693 WeakPolarHBondContact O-CB 3.41Å; A689-K693 PolarHBondContact O-N 3.47Å; E690-K693 CarbonylContact O-C 3.59Å; E690-K693 WeakPolarHBondContact O-CB 3.4Å; E690-K693 PolarHBondContact O-N 3.47Å; E690-K693 IonicContact OE1-NZ 3.77Å; E690-K693 PolarHBondContact OE1-NZ 3.1Å; K693-T696 WeakPolarHBondContact CA-OG1 3.49Å; K693-T696 PolarHBondContact O-OG1 3.43Å; K693-T696 VanDerWaalsContact O-OG1 3.1Å; K693-K697 WeakPolarHBondContact O-CG 3.31Å; K693-K697 PolarHBondContact O-N 3.11Å
694	L	95.9	Very high	95.6	Very high	99 Å²	99	93.8 Å²	93.8	52%	0.518	49%	0.494	S	S	.	.	H	α-helix	trans	-73.6	-42.7	172.7	-69.8	171	0	0	0	112	E690 I691 Q692 T696 K697 L698	E690-L694 HydrophobicContact CG-CD1 4.46Å; E690-L694 WeakPolarHBondContact O-CG 3.48Å; E690-L694 PolarHBondContact O-N 3.36Å; I691-L694 PolarHBondContact O-N 3.03Å; Q692-L694 VanDerWaalsContact C-N 3.35Å; L694-T696 PolarHBondContact O-N 2.82Å; L694-K697 PolarHBondContact O-N 2.84Å; L694-L698 WeakPolarHBondContact O-CB 3.42Å; L694-L698 PolarHBondContact O-N 2.77Å
695	K	96.8	Very high	95.8	Very high	116 Å²	116	92.9 Å²	92.9	50%	0.504	49%	0.489	S	S	.	.	H	α-helix	trans	-60	-42.7	174.9	-76.9	169.9	179.5	174.3	0	112.6	I691 Q692 L698 A699	I691-K695 HydrophobicContact CG2-CD 4.05Å; I691-K695 WeakPolarHBondContact O-CB 3.34Å; I691-K695 VanDerWaalsContact O-CG 3.28Å; I691-K695 WeakPolarHBondContact O-CG 3.44Å; I691-K695 PolarHBondContact O-N 3.24Å; Q692-K695 PolarHBondContact O-N 3.13Å; K695-L698 PolarHBondContact O-N 3.19Å; K695-A699 WeakPolarHBondContact O-CB 3.35Å; K695-A699 PolarHBondContact O-N 2.88Å
696	T	96.4	Very high	95.9	Very high	94 Å²	94	93.2 Å²	93.2	58%	0.577	49%	0.485	S	S	*	.	H	α-helix	trans	-68.7	-39.2	177.7	45.2	0	0	0	0	112.2	Q692 K693 L694 A699 S700	Q692-T696 WeakPolarHBondContact O-CB 3.5Å; Q692-T696 WeakPolarHBondContact O-CG2 3.35Å; Q692-T696 PolarHBondContact O-N 2.98Å; Q692-T696 PolarHBondContact O-OG1 2.94Å; K693-T696 WeakPolarHBondContact CA-OG1 3.49Å; K693-T696 PolarHBondContact O-OG1 3.43Å; K693-T696 VanDerWaalsContact O-OG1 3.1Å; L694-T696 PolarHBondContact O-N 2.82Å; T696-A699 PolarHBondContact O-N 3.47Å; T696-S700 PolarHBondContact O-N 2.87Å; T696-S700 VanDerWaalsContact O-N 3.08Å
697	K	97.5	Very high	96	Very high	124 Å²	124	97.3 Å²	97.3	54%	0.539	49%	0.492	S	S	.	.	H	α-helix	trans	-58.6	-50.1	168.7	-79	178.3	173.6	-169.9	0	112.4	K693 L694 A699 S700 V701	K693-K697 WeakPolarHBondContact O-CG 3.31Å; K693-K697 PolarHBondContact O-N 3.11Å; L694-K697 PolarHBondContact O-N 2.84Å; K697-A699 VanDerWaalsContact C-N 3.33Å; K697-A699 PolarHBondContact O-N 3.45Å; K697-S700 WeakPolarHBondContact O-CA 3.42Å; K697-S700 VanDerWaalsContact O-CB 3.3Å; K697-S700 WeakPolarHBondContact O-CB 3.47Å; K697-S700 PolarHBondContact O-N 3.07Å; K697-V701 PolarHBondContact O-N 2.63Å
698	L	96.3	Very high	96.2	Very high	123 Å²	123	100.1 Å²	100.1	64%	0.644	49%	0.493	S	S	*	.	H	α-helix	trans	-58.8	-43.9	179.4	-178.4	64	0	0	0	111.6	L694 K695 S700 V701 E702	L694-L698 WeakPolarHBondContact O-CB 3.42Å; L694-L698 PolarHBondContact O-N 2.77Å; K695-L698 PolarHBondContact O-N 3.19Å; L698-S700 PolarHBondContact O-N 2.99Å; L698-V701 PolarHBondContact O-N 2.97Å; L698-E702 WeakPolarHBondContact O-CB 3.45Å; L698-E702 PolarHBondContact O-N 3.04Å
699	A	96.9	Very high	96.3	Very high	51 Å²	51	100 Å²	100	42%	0.421	49%	0.493	S	S	.	.	H	α-helix	trans	-67	-20.6	175.3	0	0	0	0	0	113.9	K695 T696 K697 K703	K695-A699 WeakPolarHBondContact O-CB 3.35Å; K695-A699 PolarHBondContact O-N 2.88Å; T696-A699 PolarHBondContact O-N 3.47Å; K697-A699 VanDerWaalsContact C-N 3.33Å; K697-A699 PolarHBondContact O-N 3.45Å; A699-K703 WeakPolarHBondContact O-CD 3.49Å; A699-K703 VanDerWaalsContact O-CG 3.28Å; A699-K703 WeakPolarHBondContact O-CG 3.47Å
700	S	96.9	Very high	96.5	Very high	76 Å²	76	104.2 Å²	104.2	53%	0.531	50%	0.5	S	S	.	.	H	α-helix	trans	-78	-47.5	170.8	-163.4	0	0	0	0	111.2	T696 K697 L698 E702 K703 E704	T696-S700 PolarHBondContact O-N 2.87Å; T696-S700 VanDerWaalsContact O-N 3.08Å; K697-S700 WeakPolarHBondContact O-CA 3.42Å; K697-S700 VanDerWaalsContact O-CB 3.3Å; K697-S700 WeakPolarHBondContact O-CB 3.47Å; K697-S700 PolarHBondContact O-N 3.07Å; L698-S700 PolarHBondContact O-N 2.99Å; S700-E702 PolarHBondContact O-N 3.35Å; S700-K703 WeakPolarHBondContact O-CB 3.35Å; S700-K703 PolarHBondContact O-N 2.93Å; S700-E704 PolarHBondContact O-N 3.47Å
701	V	96	Very high	96.6	Very high	89 Å²	89	105.3 Å²	105.3	54%	0.539	51%	0.505	S	S	.	.	H	α-helix	trans	-63.2	-41.1	179.3	175	0	0	0	0	111.4	K697 L698 K703 E704 K705	K697-V701 PolarHBondContact O-N 2.63Å; L698-V701 PolarHBondContact O-N 2.97Å; V701-K703 VanDerWaalsContact C-N 3.33Å; V701-K703 PolarHBondContact O-N 3.19Å; V701-E704 WeakPolarHBondContact O-CB 3.26Å; V701-E704 PolarHBondContact O-N 3.18Å; V701-E704 VanDerWaalsContact O-N 3.15Å; V701-K705 WeakPolarHBondContact O-CB 3.32Å; V701-K705 PolarHBondContact O-N 3.07Å
702	E	97.3	Very high	96.6	Very high	73 Å²	73	109.1 Å²	109.1	34%	0.341	52%	0.518	S	S	.	.	H	α-helix	trans	-66.2	-33.9	177.5	-177.8	54.5	-141.6	0	0	112.2	L698 S700 K705 Q706	L698-E702 WeakPolarHBondContact O-CB 3.45Å; L698-E702 PolarHBondContact O-N 3.04Å; S700-E702 PolarHBondContact O-N 3.35Å; E702-K705 IonicContact OE1-NZ 2.67Å; E702-K705 PolarHBondContact OE1-NZ 2.86Å; E702-K705 IonicContact OE2-NZ 2.78Å; E702-K705 PolarHBondContact OE2-NZ 2.63Å; E702-Q706 WeakPolarHBondContact O-CB 3.47Å; E702-Q706 VanDerWaalsContact O-CG 3.25Å; E702-Q706 WeakPolarHBondContact O-CG 3.42Å; E702-Q706 PolarHBondContact O-N 2.73Å; E702-Q706 PolarHBondContact OE1-NE2 2.99Å
703	K	96.7	Very high	96.7	Very high	151 Å²	151	107.4 Å²	107.4	66%	0.657	52%	0.519	S	S	*	.	H	α-helix	trans	-67.5	-36.7	170.8	-75.8	173.5	-177.8	179.6	0	112.6	A699 S700 V701 Q706 R707	A699-K703 WeakPolarHBondContact O-CD 3.49Å; A699-K703 VanDerWaalsContact O-CG 3.28Å; A699-K703 WeakPolarHBondContact O-CG 3.47Å; S700-K703 WeakPolarHBondContact O-CB 3.35Å; S700-K703 PolarHBondContact O-N 2.93Å; V701-K703 VanDerWaalsContact C-N 3.33Å; V701-K703 PolarHBondContact O-N 3.19Å; K703-Q706 PolarHBondContact O-N 3.48Å; K703-R707 PolarHBondContact O-N 2.94Å; K703-R707 VanDerWaalsContact O-N 3.08Å
704	E	96.4	Very high	96.7	Very high	99 Å²	99	109.2 Å²	109.2	46%	0.463	53%	0.529	S	S	.	.	H	α-helix	trans	-68.5	-46.3	177.2	-158.7	-164.5	134.5	0	0	111	S700 V701 Q706 R707 W708	S700-E704 PolarHBondContact O-N 3.47Å; V701-E704 WeakPolarHBondContact O-CB 3.26Å; V701-E704 PolarHBondContact O-N 3.18Å; V701-E704 VanDerWaalsContact O-N 3.15Å; E704-Q706 VanDerWaalsContact C-N 3.27Å; E704-Q706 PolarHBondContact O-N 2.93Å; E704-R707 WeakPolarHBondContact O-CA 3.32Å; E704-R707 VanDerWaalsContact O-CB 3.29Å; E704-R707 WeakPolarHBondContact O-CB 3.23Å; E704-R707 PolarHBondContact O-N 3.13Å; E704-W708 PolarHBondContact O-N 3.09Å; E704-W708 PolarHBondContact OE1-NE1 3.32Å
705	K	96.3	Very high	96.8	Very high	88 Å²	88	109.7 Å²	109.7	38%	0.383	53%	0.532	S	S	.	.	H	α-helix	trans	-52.3	-44.2	169.5	166.1	172.2	158.3	-82.8	0	111.9	V701 E702 R707 W708 E709	V701-K705 WeakPolarHBondContact O-CB 3.32Å; V701-K705 PolarHBondContact O-N 3.07Å; E702-K705 IonicContact OE1-NZ 2.67Å; E702-K705 PolarHBondContact OE1-NZ 2.86Å; E702-K705 IonicContact OE2-NZ 2.78Å; E702-K705 PolarHBondContact OE2-NZ 2.63Å; K705-R707 VanDerWaalsContact C-N 3.29Å; K705-R707 PolarHBondContact O-N 2.99Å; K705-W708 PolarHBondContact O-N 3.46Å; K705-E709 WeakPolarHBondContact CE-OE1 3.28Å; K705-E709 HydrophobicContact CG-CG 4.47Å; K705-E709 IonicContact NZ-OE1 3.66Å; K705-E709 WeakPolarHBondContact O-CB 3.42Å; K705-E709 WeakPolarHBondContact O-CG 3.37Å; K705-E709 PolarHBondContact O-N 2.97Å
706	Q	97.4	Very high	96.7	Very high	86 Å²	86	111.3 Å²	111.3	40%	0.402	54%	0.539	S	S	.	.	H	α-helix	trans	-68	-21.8	175.3	-72.8	171.6	23.5	0	0	114.3	E702 K703 E704 K710	E702-Q706 WeakPolarHBondContact O-CB 3.47Å; E702-Q706 VanDerWaalsContact O-CG 3.25Å; E702-Q706 WeakPolarHBondContact O-CG 3.42Å; E702-Q706 PolarHBondContact O-N 2.73Å; E702-Q706 PolarHBondContact OE1-NE2 2.99Å; K703-Q706 PolarHBondContact O-N 3.48Å; E704-Q706 VanDerWaalsContact C-N 3.27Å; E704-Q706 PolarHBondContact O-N 2.93Å; Q706-K710 WeakPolarHBondContact O-CD 3.27Å; Q706-K710 VanDerWaalsContact O-CG 3.3Å; Q706-K710 WeakPolarHBondContact O-CG 3.48Å
707	R	96.9	Very high	96.8	Very high	169 Å²	169	109.6 Å²	109.6	64%	0.638	53%	0.534	S	S	*	.	H	α-helix	trans	-71.7	-53.9	166	-176.6	-161.7	-74.9	-177.7	-5.2	109.4	K703 E704 K705 E709 K710 E711	K703-R707 PolarHBondContact O-N 2.94Å; K703-R707 VanDerWaalsContact O-N 3.08Å; E704-R707 WeakPolarHBondContact O-CA 3.32Å; E704-R707 VanDerWaalsContact O-CB 3.29Å; E704-R707 WeakPolarHBondContact O-CB 3.23Å; E704-R707 PolarHBondContact O-N 3.13Å; K705-R707 VanDerWaalsContact C-N 3.29Å; K705-R707 PolarHBondContact O-N 2.99Å; R707-E709 VanDerWaalsContact C-N 3.29Å; R707-E709 PolarHBondContact O-N 2.68Å; R707-K710 WeakPolarHBondContact O-CB 3.19Å; R707-K710 PolarHBondContact O-N 2.88Å; R707-E711 WeakPolarHBondContact O-CB 3.42Å; R707-E711 PolarHBondContact O-N 3.19Å
708	W	95.6	Very high	96.7	Very high	137 Å²	137	106.9 Å²	106.9	52%	0.519	53%	0.531	S	S	.	.	H	α-helix	trans	-57.8	-37.5	-179.1	-70.3	120.2	0	0	0	113	E704 K705 K712	E704-W708 PolarHBondContact O-N 3.09Å; E704-W708 PolarHBondContact OE1-NE1 3.32Å; K705-W708 PolarHBondContact O-N 3.46Å; W708-K712 WeakPolarHBondContact O-CB 3.29Å; W708-K712 PolarHBondContact O-N 3.5Å
709	E	97.3	Very high	96.7	Very high	96 Å²	96	105.2 Å²	105.2	45%	0.449	52%	0.522	S	S	.	.	H	α-helix	trans	-65.7	-37.9	174.8	-76.1	173.8	-178.3	0	0	112.8	K705 R707 S713	K705-E709 WeakPolarHBondContact CE-OE1 3.28Å; K705-E709 HydrophobicContact CG-CG 4.47Å; K705-E709 IonicContact NZ-OE1 3.66Å; K705-E709 WeakPolarHBondContact O-CB 3.42Å; K705-E709 WeakPolarHBondContact O-CG 3.37Å; K705-E709 PolarHBondContact O-N 2.97Å; R707-E709 VanDerWaalsContact C-N 3.29Å; R707-E709 PolarHBondContact O-N 2.68Å; E709-S713 WeakPolarHBondContact O-CB 3.38Å; E709-S713 PolarHBondContact O-N 3.49Å; E709-S713 VanDerWaalsContact O-N 3.1Å; E709-S713 PolarHBondContact O-OG 2.89Å
710	K	97.3	Very high	96.7	Very high	147 Å²	147	107.4 Å²	107.4	64%	0.639	52%	0.523	S	S	*	.	H	α-helix	trans	-70	-46.2	174.9	-72.2	171.6	-175.9	176.3	0	111.4	Q706 R707 S713 Q714	Q706-K710 WeakPolarHBondContact O-CD 3.27Å; Q706-K710 VanDerWaalsContact O-CG 3.3Å; Q706-K710 WeakPolarHBondContact O-CG 3.48Å; R707-K710 WeakPolarHBondContact O-CB 3.19Å; R707-K710 PolarHBondContact O-N 2.88Å; K710-S713 WeakPolarHBondContact O-CB 3.45Å; K710-S713 PolarHBondContact O-N 3.14Å; K710-S713 VanDerWaalsContact O-N 3.11Å; K710-Q714 WeakPolarHBondContact O-CB 3.47Å; K710-Q714 PolarHBondContact O-N 3.36Å
711	E	96.8	Very high	96.7	Very high	91 Å²	91	108.3 Å²	108.3	43%	0.425	52%	0.519	S	S	.	.	H	α-helix	trans	-61.6	-45.6	178.7	-170.4	173.5	158	0	0	111.4	R707 S713 Q714 L715	R707-E711 WeakPolarHBondContact O-CB 3.42Å; R707-E711 PolarHBondContact O-N 3.19Å; E711-S713 VanDerWaalsContact C-N 3.28Å; E711-S713 PolarHBondContact O-N 3.32Å; E711-Q714 PolarHBondContact O-N 3.19Å; E711-L715 WeakPolarHBondContact O-CB 3.29Å; E711-L715 PolarHBondContact O-N 3.21Å
712	K	96.1	Very high	96.7	Very high	162 Å²	162	109 Å²	109	70%	0.704	52%	0.52	S	S	*	.	H	α-helix	trans	-58.3	-38	171.5	-178.7	175.8	-178.3	174.3	0	112.8	W708 K716	W708-K712 WeakPolarHBondContact O-CB 3.29Å; W708-K712 PolarHBondContact O-N 3.5Å; K712-K716 WeakPolarHBondContact O-CB 3.44Å; K712-K716 PolarHBondContact O-N 3.14Å
713	S	97.3	Very high	96.7	Very high	78 Å²	78	109.6 Å²	109.6	55%	0.545	52%	0.521	S	S	.	.	H	α-helix	trans	-71.7	-40.8	177.5	-59.2	0	0	0	0	112	E709 K710 E711 K716 A717	E709-S713 WeakPolarHBondContact O-CB 3.38Å; E709-S713 PolarHBondContact O-N 3.49Å; E709-S713 VanDerWaalsContact O-N 3.1Å; E709-S713 PolarHBondContact O-OG 2.89Å; K710-S713 WeakPolarHBondContact O-CB 3.45Å; K710-S713 PolarHBondContact O-N 3.14Å; K710-S713 VanDerWaalsContact O-N 3.11Å; E711-S713 VanDerWaalsContact C-N 3.28Å; E711-S713 PolarHBondContact O-N 3.32Å; S713-K716 PolarHBondContact O-N 2.97Å; S713-A717 PolarHBondContact O-N 2.9Å
714	Q	97	Very high	96.8	Very high	144 Å²	144	107.3 Å²	107.3	67%	0.673	51%	0.513	S	S	*	.	H	α-helix	trans	-65.2	-45.3	175.6	-178.7	177.4	-3.7	0	0	111.6	K710 E711 K716 A717 S718	K710-Q714 WeakPolarHBondContact O-CB 3.47Å; K710-Q714 PolarHBondContact O-N 3.36Å; E711-Q714 PolarHBondContact O-N 3.19Å; Q714-K716 PolarHBondContact O-N 2.96Å; Q714-A717 PolarHBondContact O-N 3.13Å; Q714-S718 WeakPolarHBondContact O-CB 3.37Å; Q714-S718 PolarHBondContact O-N 3.46Å
715	L	96.9	Very high	96.8	Very high	110 Å²	110	108.7 Å²	108.7	58%	0.576	51%	0.514	S	S	*	.	H	α-helix	trans	-63.7	-40.6	176.4	-172.3	66	0	0	0	111.3	E711 A717 S718 I719	E711-L715 WeakPolarHBondContact O-CB 3.29Å; E711-L715 PolarHBondContact O-N 3.21Å; L715-A717 PolarHBondContact O-N 3.37Å; L715-S718 PolarHBondContact O-N 3.24Å; L715-I719 HydrophobicContact CG-CD1 4.18Å; L715-I719 VanDerWaalsContact O-CG1 3.28Å; L715-I719 WeakPolarHBondContact O-CG1 3.45Å; L715-I719 PolarHBondContact O-N 3.13Å
716	K	96.3	Very high	96.8	Very high	149 Å²	149	109.2 Å²	109.2	65%	0.648	52%	0.519	S	S	*	.	H	α-helix	trans	-62	-41.2	173.3	-174.4	-180	177.9	-175	0	112.3	K712 S713 Q714 I719 E720	K712-K716 WeakPolarHBondContact O-CB 3.44Å; K712-K716 PolarHBondContact O-N 3.14Å; S713-K716 PolarHBondContact O-N 2.97Å; Q714-K716 PolarHBondContact O-N 2.96Å; K716-I719 PolarHBondContact O-N 2.98Å; K716-E720 PolarHBondContact O-N 2.91Å; K716-E720 VanDerWaalsContact O-N 3.14Å
717	A	97.3	Very high	96.7	Very high	59 Å²	59	110.1 Å²	110.1	49%	0.488	53%	0.526	S	S	.	.	H	α-helix	trans	-64	-46.3	175.9	0	0	0	0	0	111.6	S713 Q714 L715 I719 E720 E721	S713-A717 PolarHBondContact O-N 2.9Å; Q714-A717 PolarHBondContact O-N 3.13Å; L715-A717 PolarHBondContact O-N 3.37Å; A717-I719 VanDerWaalsContact C-N 3.34Å; A717-I719 PolarHBondContact O-N 3.24Å; A717-E720 PolarHBondContact O-N 3.44Å; A717-E720 VanDerWaalsContact O-N 3.13Å; A717-E721 WeakPolarHBondContact O-CB 3.48Å; A717-E721 PolarHBondContact O-N 3.48Å
718	S	96.8	Very high	96.7	Very high	66 Å²	66	106.8 Å²	106.8	46%	0.462	52%	0.516	S	S	.	.	H	α-helix	trans	-59.1	-41.4	176	178.6	0	0	0	0	112.6	Q714 L715 E720 E721 N722	Q714-S718 WeakPolarHBondContact O-CB 3.37Å; Q714-S718 PolarHBondContact O-N 3.46Å; L715-S718 PolarHBondContact O-N 3.24Å; S718-E720 PolarHBondContact O-N 3.4Å; S718-E721 PolarHBondContact O-N 3.28Å; S718-N722 VanDerWaalsContact O-CB 3.31Å; S718-N722 WeakPolarHBondContact O-CB 3.21Å; S718-N722 PolarHBondContact O-N 3.3Å
719	I	96.2	Very high	96.8	Very high	88 Å²	88	106 Å²	106	45%	0.451	52%	0.521	S	S	.	.	H	α-helix	trans	-60.7	-43.5	174	-72.8	164.8	0	0	0	111.4	L715 K716 A717 N722 K723	L715-I719 HydrophobicContact CG-CD1 4.18Å; L715-I719 VanDerWaalsContact O-CG1 3.28Å; L715-I719 WeakPolarHBondContact O-CG1 3.45Å; L715-I719 PolarHBondContact O-N 3.13Å; K716-I719 PolarHBondContact O-N 2.98Å; A717-I719 VanDerWaalsContact C-N 3.34Å; A717-I719 PolarHBondContact O-N 3.24Å; I719-N722 PolarHBondContact O-N 2.84Å; I719-K723 WeakPolarHBondContact O-CG 3.22Å; I719-K723 PolarHBondContact O-N 2.89Å
720	E	96.8	Very high	96.7	Very high	98 Å²	98	105.8 Å²	105.8	46%	0.458	52%	0.52	S	S	.	.	H	α-helix	trans	-70.4	-40.1	179.7	-146.9	66	-143.6	0	0	112.1	K716 A717 S718 N722 K723 E724	K716-E720 PolarHBondContact O-N 2.91Å; K716-E720 VanDerWaalsContact O-N 3.14Å; A717-E720 PolarHBondContact O-N 3.44Å; A717-E720 VanDerWaalsContact O-N 3.13Å; S718-E720 PolarHBondContact O-N 3.4Å; E720-N722 VanDerWaalsContact C-N 3.27Å; E720-N722 PolarHBondContact O-N 3.06Å; E720-K723 WeakPolarHBondContact O-CB 3.43Å; E720-K723 PolarHBondContact O-N 3.39Å; E720-K723 WeakPolarHBondContact OE1-CD 3.49Å; E720-K723 IonicContact OE1-NZ 2.75Å; E720-K723 PolarHBondContact OE1-NZ 3.01Å; E720-K723 IonicContact OE2-NZ 2.68Å; E720-K723 PolarHBondContact OE2-NZ 3.16Å; E720-E724 PolarHBondContact O-N 2.89Å
721	E	97	Very high	96.7	Very high	94 Å²	94	101.4 Å²	101.4	44%	0.439	51%	0.508	S	S	.	.	H	α-helix	trans	-62.8	-34.4	174.4	-158.6	-163.2	134.2	0	0	111.8	A717 S718 E724 R725	A717-E721 WeakPolarHBondContact O-CB 3.48Å; A717-E721 PolarHBondContact O-N 3.48Å; S718-E721 PolarHBondContact O-N 3.28Å; E721-E724 PolarHBondContact O-N 3.48Å; E721-R725 VanDerWaalsContact CD-NH1 3.34Å; E721-R725 PolarHBondContact O-N 2.88Å; E721-R725 VanDerWaalsContact O-N 3.07Å; E721-R725 IonicContact OE1-CZ 2.67Å; E721-R725 IonicContact OE1-NH1 3.64Å; E721-R725 PolarHBondContact OE1-NH1 2.87Å; E721-R725 IonicContact OE1-NH2 3.85Å; E721-R725 PolarHBondContact OE1-NH2 2.91Å
722	N	95.8	Very high	96.7	Very high	105 Å²	105	103.3 Å²	103.3	56%	0.561	51%	0.513	S	S	*	.	H	α-helix	trans	-72.4	-38.5	175	-162.9	18.4	0	0	0	112.1	S718 I719 E720 E724 R725 M726	S718-N722 VanDerWaalsContact O-CB 3.31Å; S718-N722 WeakPolarHBondContact O-CB 3.21Å; S718-N722 PolarHBondContact O-N 3.3Å; I719-N722 PolarHBondContact O-N 2.84Å; E720-N722 VanDerWaalsContact C-N 3.27Å; E720-N722 PolarHBondContact O-N 3.06Å; N722-E724 VanDerWaalsContact C-N 3.3Å; N722-E724 PolarHBondContact O-N 3.28Å; N722-R725 WeakPolarHBondContact O-CB 3.46Å; N722-R725 PolarHBondContact O-N 2.99Å; N722-M726 PolarHBondContact O-N 3.48Å
723	K	97.6	Very high	96.8	Very high	84 Å²	84	103.7 Å²	103.7	37%	0.365	51%	0.509	S	S	.	.	H	α-helix	trans	-60.5	-39.9	169.2	-66.6	169.3	-171.2	166.7	0	111.7	I719 E720 R725 M726 L727	I719-K723 WeakPolarHBondContact O-CG 3.22Å; I719-K723 PolarHBondContact O-N 2.89Å; E720-K723 WeakPolarHBondContact O-CB 3.43Å; E720-K723 PolarHBondContact O-N 3.39Å; E720-K723 WeakPolarHBondContact OE1-CD 3.49Å; E720-K723 IonicContact OE1-NZ 2.75Å; E720-K723 PolarHBondContact OE1-NZ 3.01Å; E720-K723 IonicContact OE2-NZ 2.68Å; E720-K723 PolarHBondContact OE2-NZ 3.16Å; K723-R725 VanDerWaalsContact C-N 3.33Å; K723-R725 PolarHBondContact O-N 3.4Å; K723-M726 WeakPolarHBondContact O-CB 3.29Å; K723-M726 PolarHBondContact O-N 3.4Å; K723-L727 WeakPolarHBondContact O-CG 3.28Å; K723-L727 PolarHBondContact O-N 3.33Å
724	E	97.6	Very high	96.8	Very high	104 Å²	104	104.3 Å²	104.3	49%	0.486	51%	0.506	S	S	.	.	H	α-helix	trans	-65.3	-36.8	177.7	-157.8	-164.7	138.9	0	0	111.6	E720 E721 N722 K728	E720-E724 PolarHBondContact O-N 2.89Å; E721-E724 PolarHBondContact O-N 3.48Å; N722-E724 VanDerWaalsContact C-N 3.3Å; N722-E724 PolarHBondContact O-N 3.28Å; E724-K728 WeakPolarHBondContact O-CD 3.27Å; E724-K728 VanDerWaalsContact O-CG 3.29Å; E724-K728 WeakPolarHBondContact O-CG 3.34Å; E724-K728 PolarHBondContact O-N 3.22Å; E724-K728 WeakPolarHBondContact OE1-CE 3.48Å; E724-K728 IonicContact OE1-NZ 2.85Å; E724-K728 PolarHBondContact OE1-NZ 3.3Å
725	R	97.1	Very high	96.7	Very high	128 Å²	128	102.3 Å²	102.3	48%	0.483	50%	0.496	S	S	.	.	H	α-helix	trans	-62.8	-45.9	169.1	-73.9	-173.6	-179.7	79.3	2.5	112	E721 N722 K723 L727 K728 L729	E721-R725 VanDerWaalsContact CD-NH1 3.34Å; E721-R725 PolarHBondContact O-N 2.88Å; E721-R725 VanDerWaalsContact O-N 3.07Å; E721-R725 IonicContact OE1-CZ 2.67Å; E721-R725 IonicContact OE1-NH1 3.64Å; E721-R725 PolarHBondContact OE1-NH1 2.87Å; E721-R725 IonicContact OE1-NH2 3.85Å; E721-R725 PolarHBondContact OE1-NH2 2.91Å; N722-R725 WeakPolarHBondContact O-CB 3.46Å; N722-R725 PolarHBondContact O-N 2.99Å; K723-R725 VanDerWaalsContact C-N 3.33Å; K723-R725 PolarHBondContact O-N 3.4Å; R725-L727 PolarHBondContact O-N 3.33Å; R725-K728 PolarHBondContact O-N 2.9Å; R725-L729 WeakPolarHBondContact O-CG 3.38Å; R725-L729 PolarHBondContact O-N 2.78Å
726	M	95.3	Very high	96.8	Very high	99 Å²	99	99.4 Å²	99.4	49%	0.488	49%	0.488	S	S	.	.	H	α-helix	trans	-58.4	-48.7	178.9	-170.5	175	74.5	0	0	111.7	N722 K723 K728 L729 E730	N722-M726 PolarHBondContact O-N 3.48Å; K723-M726 WeakPolarHBondContact O-CB 3.29Å; K723-M726 PolarHBondContact O-N 3.4Å; M726-K728 VanDerWaalsContact C-N 3.29Å; M726-K728 PolarHBondContact O-N 3.4Å; M726-L729 PolarHBondContact O-N 2.94Å; M726-L729 VanDerWaalsContact O-N 3.14Å; M726-E730 WeakPolarHBondContact O-CG 3.13Å; M726-E730 PolarHBondContact O-N 2.87Å
727	L	96.2	Very high	96.7	Very high	105 Å²	105	97.4 Å²	97.4	55%	0.55	48%	0.481	S	S	.	.	H	α-helix	trans	-62.1	-32.5	176.8	-70.1	168.8	0	0	0	113.2	K723 R725 S731	K723-L727 WeakPolarHBondContact O-CG 3.28Å; K723-L727 PolarHBondContact O-N 3.33Å; R725-L727 PolarHBondContact O-N 3.33Å; L727-S731 PolarHBondContact O-N 3.08Å
728	K	97.8	Very high	96.7	Very high	99 Å²	99	98.3 Å²	98.3	43%	0.43	48%	0.481	S	S	.	.	H	α-helix	trans	-70.3	-42.2	173.3	-72.6	167.2	-173.3	168.9	0	111.9	E724 R725 M726 E730 S731 Y732	E724-K728 WeakPolarHBondContact O-CD 3.27Å; E724-K728 VanDerWaalsContact O-CG 3.29Å; E724-K728 WeakPolarHBondContact O-CG 3.34Å; E724-K728 PolarHBondContact O-N 3.22Å; E724-K728 WeakPolarHBondContact OE1-CE 3.48Å; E724-K728 IonicContact OE1-NZ 2.85Å; E724-K728 PolarHBondContact OE1-NZ 3.3Å; R725-K728 PolarHBondContact O-N 2.9Å; M726-K728 VanDerWaalsContact C-N 3.29Å; M726-K728 PolarHBondContact O-N 3.4Å; K728-E730 VanDerWaalsContact C-N 3.31Å; K728-E730 PolarHBondContact O-N 2.92Å; K728-S731 WeakPolarHBondContact O-CB 3.48Å; K728-S731 PolarHBondContact O-N 3.34Å; K728-Y732 HydrophobicContact CB-CE2 4.38Å; K728-Y732 VanDerWaalsContact O-CD2 3.27Å; K728-Y732 WeakPolarHBondContact O-CD2 3.17Å; K728-Y732 PolarHBondContact O-N 3.41Å
729	L	97.2	Very high	96.8	Very high	119 Å²	119	100.6 Å²	100.6	62%	0.623	49%	0.487	S	S	*	.	H	α-helix	trans	-63.3	-38	174.4	-68.3	170.1	0	0	0	111.5	R725 M726 Y732 W733	R725-L729 WeakPolarHBondContact O-CG 3.38Å; R725-L729 PolarHBondContact O-N 2.78Å; M726-L729 PolarHBondContact O-N 2.94Å; M726-L729 VanDerWaalsContact O-N 3.14Å; L729-Y732 PolarHBondContact O-N 3.34Å; L729-W733 VanDerWaalsContact O-CB 3.29Å; L729-W733 WeakPolarHBondContact O-CB 3.36Å; L729-W733 PolarHBondContact O-N 2.54Å
730	E	95.3	Very high	96.8	Very high	93 Å²	93	100.5 Å²	100.5	44%	0.435	49%	0.494	S	S	.	.	H	α-helix	trans	-62.8	-42.7	171.6	-72.3	172.9	-171.4	0	0	112.1	M726 K728 W733 I734	M726-E730 WeakPolarHBondContact O-CG 3.13Å; M726-E730 PolarHBondContact O-N 2.87Å; K728-E730 VanDerWaalsContact C-N 3.31Å; K728-E730 PolarHBondContact O-N 2.92Å; E730-W733 PolarHBondContact O-N 2.62Å; E730-I734 WeakPolarHBondContact O-CG1 3.24Å; E730-I734 PolarHBondContact O-N 3.47Å
731	S	96.3	Very high	96.8	Very high	55 Å²	55	101.6 Å²	101.6	39%	0.385	50%	0.498	S	S	.	.	H	α-helix	trans	-59.9	-51.3	173.6	-164	0	0	0	0	111.6	L727 K728 W733 I734 E735	L727-S731 PolarHBondContact O-N 3.08Å; K728-S731 WeakPolarHBondContact O-CB 3.48Å; K728-S731 PolarHBondContact O-N 3.34Å; S731-W733 VanDerWaalsContact C-N 3.26Å; S731-W733 PolarHBondContact O-N 2.87Å; S731-I734 PolarHBondContact O-N 3.01Å; S731-I734 VanDerWaalsContact O-N 3.12Å; S731-E735 WeakPolarHBondContact O-CB 3.27Å; S731-E735 VanDerWaalsContact O-CG 3.32Å; S731-E735 WeakPolarHBondContact O-CG 3.48Å; S731-E735 PolarHBondContact O-N 3.11Å; S731-E735 PolarHBondContact OG-OE1 2.94Å
732	Y	97.9	Very high	96.8	Very high	131 Å²	131	100.1 Å²	100.1	51%	0.514	50%	0.496	S	S	.	.	H	α-helix	trans	-62.1	-33.5	178.6	-62.7	-36.2	0	0	0	112.6	K728 L729 A736	K728-Y732 HydrophobicContact CB-CE2 4.38Å; K728-Y732 VanDerWaalsContact O-CD2 3.27Å; K728-Y732 WeakPolarHBondContact O-CD2 3.17Å; K728-Y732 PolarHBondContact O-N 3.41Å; L729-Y732 PolarHBondContact O-N 3.34Å; Y732-A736 VanDerWaalsContact O-CB 3.24Å; Y732-A736 WeakPolarHBondContact O-CB 3.32Å; Y732-A736 PolarHBondContact O-N 3.12Å
733	W	97.1	Very high	96.9	Very high	169 Å²	169	99.3 Å²	99.3	64%	0.64	50%	0.495	S	S	*	.	H	α-helix	trans	-66.4	-43	173.5	179.1	80.2	0	0	0	112.2	L729 E730 S731 A736 Q737	L729-W733 VanDerWaalsContact O-CB 3.29Å; L729-W733 WeakPolarHBondContact O-CB 3.36Å; L729-W733 PolarHBondContact O-N 2.54Å; E730-W733 PolarHBondContact O-N 2.62Å; S731-W733 VanDerWaalsContact C-N 3.26Å; S731-W733 PolarHBondContact O-N 2.87Å; W733-A736 PolarHBondContact O-N 2.87Å; W733-Q737 VanDerWaalsContact O-CB 3.28Å; W733-Q737 WeakPolarHBondContact O-CB 3.49Å; W733-Q737 PolarHBondContact O-N 3.3Å
734	I	96.8	Very high	96.9	Very high	91 Å²	91	99.4 Å²	99.4	47%	0.467	50%	0.499	S	S	.	.	H	α-helix	trans	-65.5	-40.7	175	-66.4	166.7	0	0	0	111.1	E730 S731 Q737 T738	E730-I734 WeakPolarHBondContact O-CG1 3.24Å; E730-I734 PolarHBondContact O-N 3.47Å; S731-I734 PolarHBondContact O-N 3.01Å; S731-I734 VanDerWaalsContact O-N 3.12Å; I734-Q737 PolarHBondContact O-N 2.88Å; I734-T738 WeakPolarHBondContact O-CB 3.47Å; I734-T738 PolarHBondContact O-N 3.25Å; I734-T738 PolarHBondContact O-OG1 2.86Å
735	E	96.6	Very high	96.8	Very high	102 Å²	102	97.7 Å²	97.7	48%	0.477	49%	0.491	S	S	.	.	H	α-helix	trans	-63.2	-47.6	176.3	-72	164.8	-128.8	0	0	111.1	S731 T738 L739	S731-E735 WeakPolarHBondContact O-CB 3.27Å; S731-E735 VanDerWaalsContact O-CG 3.32Å; S731-E735 WeakPolarHBondContact O-CG 3.48Å; S731-E735 PolarHBondContact O-N 3.11Å; S731-E735 PolarHBondContact OG-OE1 2.94Å; E735-T738 PolarHBondContact O-N 3.3Å; E735-L739 PolarHBondContact O-N 3.34Å
736	A	97.3	Very high	96.8	Very high	49 Å²	49	97 Å²	97	41%	0.405	49%	0.493	S	S	.	.	H	α-helix	trans	-62.7	-43	175.2	0	0	0	0	0	112.2	Y732 W733 T738 L739 C740	Y732-A736 VanDerWaalsContact O-CB 3.24Å; Y732-A736 WeakPolarHBondContact O-CB 3.32Å; Y732-A736 PolarHBondContact O-N 3.12Å; W733-A736 PolarHBondContact O-N 2.87Å; A736-T738 VanDerWaalsContact C-N 3.3Å; A736-T738 PolarHBondContact O-N 3.49Å; A736-L739 PolarHBondContact O-N 3.22Å; A736-C740 WeakPolarHBondContact O-CB 3.32Å; A736-C740 PolarHBondContact O-N 3.04Å; A736-C740 PolarHBondContact O-SG 3Å
737	Q	95.4	Very high	97	Very high	107 Å²	107	96.7 Å²	96.7	50%	0.5	49%	0.493	S	S	.	.	H	α-helix	trans	-59.9	-41.1	174.9	-172.6	-176.6	20	0	0	111.6	W733 I734 C740 H741	W733-Q737 VanDerWaalsContact O-CB 3.28Å; W733-Q737 WeakPolarHBondContact O-CB 3.49Å; W733-Q737 PolarHBondContact O-N 3.3Å; I734-Q737 PolarHBondContact O-N 2.88Å; Q737-C740 PolarHBondContact O-N 3.46Å; Q737-H741 PolarHBondContact O-N 3.08Å
738	T	97.4	Very high	97	Very high	79 Å²	79	96.9 Å²	96.9	49%	0.485	49%	0.489	S	S	.	.	H	α-helix	trans	-67.4	-40	177.4	-57.8	0	0	0	0	111.6	I734 E735 A736 H741 T742	I734-T738 WeakPolarHBondContact O-CB 3.47Å; I734-T738 PolarHBondContact O-N 3.25Å; I734-T738 PolarHBondContact O-OG1 2.86Å; E735-T738 PolarHBondContact O-N 3.3Å; A736-T738 VanDerWaalsContact C-N 3.3Å; A736-T738 PolarHBondContact O-N 3.49Å; T738-H741 PolarHBondContact O-N 3.19Å; T738-T742 WeakPolarHBondContact O-CB 3.47Å; T738-T742 PolarHBondContact O-N 2.97Å; T738-T742 PolarHBondContact O-OG1 3.4Å
739	L	98.1	Very high	97	Very high	113 Å²	113	97 Å²	97	59%	0.592	49%	0.492	S	S	*	.	H	α-helix	trans	-62.4	-49.3	173.4	-179.6	60.8	0	0	0	111.3	E735 A736 H741 T742 V743	E735-L739 PolarHBondContact O-N 3.34Å; A736-L739 PolarHBondContact O-N 3.22Å; L739-H741 VanDerWaalsContact C-N 3.32Å; L739-H741 PolarHBondContact O-N 3.34Å; L739-T742 WeakPolarHBondContact O-CB 3.28Å; L739-T742 PolarHBondContact O-N 3.32Å; L739-T742 VanDerWaalsContact O-N 3.1Å; L739-V743 HydrophobicContact CD1-CG2 4.26Å; L739-V743 WeakPolarHBondContact O-CG2 3.23Å; L739-V743 PolarHBondContact O-N 3.41Å
740	C	96.1	Very high	97	Very high	87 Å²	87	93.9 Å²	93.9	59%	0.588	48%	0.483	S	S	*	.	H	α-helix	trans	-58.3	-41.5	176.9	-71.1	0	0	0	0	112.4	A736 Q737 N744	A736-C740 WeakPolarHBondContact O-CB 3.32Å; A736-C740 PolarHBondContact O-N 3.04Å; A736-C740 PolarHBondContact O-SG 3Å; Q737-C740 PolarHBondContact O-N 3.46Å; C740-N744 VanDerWaalsContact O-CB 3.3Å; C740-N744 WeakPolarHBondContact O-CB 3.46Å; C740-N744 PolarHBondContact O-N 3.26Å
741	H	96.8	Very high	97.1	Very high	120 Å²	120	94.2 Å²	94.2	56%	0.556	48%	0.484	S	S	*	.	H	α-helix	trans	-63.4	-41.3	174.8	-174.7	56.7	0	0	0	112.3	Q737 T738 L739 N744 E745	Q737-H741 PolarHBondContact O-N 3.08Å; T738-H741 PolarHBondContact O-N 3.19Å; L739-H741 VanDerWaalsContact C-N 3.32Å; L739-H741 PolarHBondContact O-N 3.34Å; H741-N744 PolarHBondContact O-N 3.28Å; H741-E745 PolarHBondContact O-N 3.09Å
742	T	97.9	Very high	97.2	Very high	64 Å²	64	94.3 Å²	94.3	39%	0.393	49%	0.489	S	S	.	.	H	α-helix	trans	-64.8	-45.8	178	-54	0	0	0	0	111.7	T738 L739 N744 E745 H746	T738-T742 WeakPolarHBondContact O-CB 3.47Å; T738-T742 PolarHBondContact O-N 2.97Å; T738-T742 PolarHBondContact O-OG1 3.4Å; L739-T742 WeakPolarHBondContact O-CB 3.28Å; L739-T742 PolarHBondContact O-N 3.32Å; L739-T742 VanDerWaalsContact O-N 3.1Å; T742-N744 VanDerWaalsContact C-N 3.33Å; T742-N744 PolarHBondContact O-N 3.34Å; T742-E745 PolarHBondContact O-N 3.27Å; T742-H746 PolarHBondContact O-N 3.31Å
743	V	97.9	Very high	97.2	Very high	88 Å²	88	94.6 Å²	94.6	53%	0.533	50%	0.495	S	S	.	.	H	α-helix	trans	-62.4	-40.5	175.7	172.4	0	0	0	0	111.1	L739 H746 L747	L739-V743 HydrophobicContact CD1-CG2 4.26Å; L739-V743 WeakPolarHBondContact O-CG2 3.23Å; L739-V743 PolarHBondContact O-N 3.41Å; V743-H746 PolarHBondContact O-N 2.96Å; V743-L747 WeakPolarHBondContact O-CB 3.49Å; V743-L747 PolarHBondContact O-N 3.35Å
744	N	95.9	Very high	97.2	Very high	86 Å²	86	94.3 Å²	94.3	46%	0.46	50%	0.495	S	S	.	.	H	α-helix	trans	-65.2	-40.2	177.7	179.6	84.7	0	0	0	112.9	C740 H741 T742 L747 K748	C740-N744 VanDerWaalsContact O-CB 3.3Å; C740-N744 WeakPolarHBondContact O-CB 3.46Å; C740-N744 PolarHBondContact O-N 3.26Å; H741-N744 PolarHBondContact O-N 3.28Å; T742-N744 VanDerWaalsContact C-N 3.33Å; T742-N744 PolarHBondContact O-N 3.34Å; N744-L747 PolarHBondContact O-N 2.87Å; N744-K748 VanDerWaalsContact O-CB 3.3Å; N744-K748 WeakPolarHBondContact O-CB 3.39Å; N744-K748 PolarHBondContact O-N 3.4Å
745	E	97.2	Very high	97.2	Very high	67 Å²	67	94.5 Å²	94.5	31%	0.313	49%	0.493	S	S	.	.	H	α-helix	trans	-67.3	-39.1	173.8	-71.7	-63.3	117.8	0	0	111.8	H741 T742 L747 K748 E749	H741-E745 PolarHBondContact O-N 3.09Å; T742-E745 PolarHBondContact O-N 3.27Å; E745-L747 PolarHBondContact O-N 3.35Å; E745-K748 WeakPolarHBondContact O-CB 3.47Å; E745-K748 PolarHBondContact O-N 2.98Å; E745-K748 VanDerWaalsContact OE1-CD 3.26Å; E745-K748 WeakPolarHBondContact OE1-CD 3.4Å; E745-K748 IonicContact OE1-NZ 3.3Å; E745-K748 PolarHBondContact OE1-NZ 2.82Å; E745-K748 IonicContact OE2-NZ 3.31Å; E745-K748 PolarHBondContact OE2-NZ 2.89Å; E745-E749 WeakPolarHBondContact O-CG 3.49Å; E745-E749 PolarHBondContact O-N 2.76Å
746	H	97.4	Very high	97.3	Very high	114 Å²	114	91.7 Å²	91.7	53%	0.528	49%	0.488	S	S	.	.	H	α-helix	trans	-64.8	-37.5	173.1	-73.6	-36.2	0	0	0	113.5	T742 V743 K748 E749 A750	T742-H746 PolarHBondContact O-N 3.31Å; V743-H746 PolarHBondContact O-N 2.96Å; H746-K748 VanDerWaalsContact C-N 3.33Å; H746-K748 PolarHBondContact O-N 3.41Å; H746-E749 IonicContact CE1-OE2 2.79Å; H746-E749 IonicContact CG-OE2 3.17Å; H746-E749 IonicContact ND1-OE2 2.66Å; H746-E749 PolarHBondContact ND1-OE2 3.35Å; H746-E749 PolarHBondContact O-N 2.94Å; H746-A750 WeakPolarHBondContact O-CB 3.42Å; H746-A750 PolarHBondContact O-N 3.37Å
747	L	97.9	Very high	97.3	Very high	93 Å²	93	94.5 Å²	94.5	49%	0.487	50%	0.495	S	S	.	.	H	α-helix	trans	-60.3	-44.5	172.6	174.8	61.1	0	0	0	111.2	V743 N744 E745 A750 Q751	V743-L747 WeakPolarHBondContact O-CB 3.49Å; V743-L747 PolarHBondContact O-N 3.35Å; N744-L747 PolarHBondContact O-N 2.87Å; E745-L747 PolarHBondContact O-N 3.35Å; L747-A750 PolarHBondContact O-N 3.25Å; L747-Q751 WeakPolarHBondContact O-CB 3.31Å; L747-Q751 VanDerWaalsContact O-CG 3.3Å; L747-Q751 WeakPolarHBondContact O-CG 3.44Å; L747-Q751 PolarHBondContact O-N 3.05Å
748	K	97.4	Very high	97.4	Very high	108 Å²	108	93.7 Å²	93.7	47%	0.47	49%	0.492	S	S	.	.	H	α-helix	trans	-66.5	-37.6	176.9	174.5	-166.8	178.7	-165.3	0	112.5	N744 E745 H746 A752	N744-K748 VanDerWaalsContact O-CB 3.3Å; N744-K748 WeakPolarHBondContact O-CB 3.39Å; N744-K748 PolarHBondContact O-N 3.4Å; E745-K748 WeakPolarHBondContact O-CB 3.47Å; E745-K748 PolarHBondContact O-N 2.98Å; E745-K748 VanDerWaalsContact OE1-CD 3.26Å; E745-K748 WeakPolarHBondContact OE1-CD 3.4Å; E745-K748 IonicContact OE1-NZ 3.3Å; E745-K748 PolarHBondContact OE1-NZ 2.82Å; E745-K748 IonicContact OE2-NZ 3.31Å; E745-K748 PolarHBondContact OE2-NZ 2.89Å; H746-K748 VanDerWaalsContact C-N 3.33Å; H746-K748 PolarHBondContact O-N 3.41Å; K748-A752 WeakPolarHBondContact O-CB 3.43Å; K748-A752 PolarHBondContact O-N 3.45Å
749	E	97.6	Very high	97.5	Very high	103 Å²	103	96.3 Å²	96.3	48%	0.481	50%	0.496	S	S	.	.	H	α-helix	trans	-62.6	-46.2	169.9	-73.7	178.9	141.5	0	0	111.4	E745 H746 A752 Q753	E745-E749 WeakPolarHBondContact O-CG 3.49Å; E745-E749 PolarHBondContact O-N 2.76Å; H746-E749 IonicContact CE1-OE2 2.79Å; H746-E749 IonicContact CG-OE2 3.17Å; H746-E749 IonicContact ND1-OE2 2.66Å; H746-E749 PolarHBondContact ND1-OE2 3.35Å; H746-E749 PolarHBondContact O-N 2.94Å; E749-A752 PolarHBondContact O-N 2.93Å; E749-Q753 WeakPolarHBondContact O-CG 3.3Å; E749-Q753 PolarHBondContact O-N 2.88Å
750	A	97.7	Very high	97.4	Very high	52 Å²	52	98 Å²	98	43%	0.43	50%	0.499	S	S	.	.	H	α-helix	trans	-63.4	-42.1	177.3	0	0	0	0	0	112.1	H746 L747 A752 Q753 Y754	H746-A750 WeakPolarHBondContact O-CB 3.42Å; H746-A750 PolarHBondContact O-N 3.37Å; L747-A750 PolarHBondContact O-N 3.25Å; A750-A752 PolarHBondContact O-N 2.91Å; A750-Q753 WeakPolarHBondContact O-CB 3.3Å; A750-Q753 PolarHBondContact O-N 2.7Å; A750-Y754 PolarHBondContact O-N 3.38Å
751	Q	97.3	Very high	97.5	Very high	101 Å²	101	100.5 Å²	100.5	47%	0.472	50%	0.497	S	S	.	.	H	α-helix	trans	-60.8	-41.6	172.6	-74.2	174.9	4.9	0	0	112	L747 Y754 Q755	L747-Q751 WeakPolarHBondContact O-CB 3.31Å; L747-Q751 VanDerWaalsContact O-CG 3.3Å; L747-Q751 WeakPolarHBondContact O-CG 3.44Å; L747-Q751 PolarHBondContact O-N 3.05Å; Q751-Y754 PolarHBondContact O-N 2.96Å; Q751-Q755 WeakPolarHBondContact O-CG 3.08Å; Q751-Q755 PolarHBondContact O-N 3.1Å
752	A	97.4	Very high	97.6	Very high	57 Å²	57	98.8 Å²	98.8	47%	0.471	49%	0.492	S	S	.	.	H	α-helix	trans	-65.2	-38.1	175.8	0	0	0	0	0	112.3	K748 E749 A750 A756	K748-A752 WeakPolarHBondContact O-CB 3.43Å; K748-A752 PolarHBondContact O-N 3.45Å; E749-A752 PolarHBondContact O-N 2.93Å; A750-A752 PolarHBondContact O-N 2.91Å; A752-A756 WeakPolarHBondContact O-CB 3.49Å; A752-A756 PolarHBondContact O-N 3.03Å
753	Q	97.5	Very high	97.6	Very high	137 Å²	137	102.8 Å²	102.8	64%	0.64	50%	0.504	S	S	*	.	H	α-helix	trans	-64.6	-44.1	172.7	-69.7	175.9	42.6	0	0	111.7	E749 A750 A756 L757	E749-Q753 WeakPolarHBondContact O-CG 3.3Å; E749-Q753 PolarHBondContact O-N 2.88Å; A750-Q753 WeakPolarHBondContact O-CB 3.3Å; A750-Q753 PolarHBondContact O-N 2.7Å; Q753-A756 WeakPolarHBondContact O-CB 3.3Å; Q753-A756 PolarHBondContact O-N 3.33Å; Q753-A756 VanDerWaalsContact O-N 3.15Å; Q753-L757 PolarHBondContact O-N 3.37Å
754	Y	97.9	Very high	97.6	Very high	163 Å²	163	100.8 Å²	100.8	64%	0.639	50%	0.497	S	S	*	.	H	α-helix	trans	-60.5	-48.4	176.3	-176.4	-92.8	0	0	0	111.6	A750 Q751 A756 L757 E758	A750-Y754 PolarHBondContact O-N 3.38Å; Q751-Y754 PolarHBondContact O-N 2.96Å; Y754-A756 PolarHBondContact O-N 3.47Å; Y754-L757 CarbonylContact O-C 3.57Å; Y754-L757 WeakPolarHBondContact O-CA 3.44Å; Y754-L757 WeakPolarHBondContact O-CB 3.49Å; Y754-L757 PolarHBondContact O-N 2.88Å; Y754-E758 WeakPolarHBondContact O-CB 3.37Å; Y754-E758 PolarHBondContact O-N 3.04Å
755	Q	97.2	Very high	97.8	Very high	94 Å²	94	101.6 Å²	101.6	44%	0.439	50%	0.496	S	S	.	.	H	α-helix	trans	-61	-31.4	174.9	-70.4	178.8	24.9	0	0	112.9	Q751 K759	Q751-Q755 WeakPolarHBondContact O-CG 3.08Å; Q751-Q755 PolarHBondContact O-N 3.1Å; Q755-K759 WeakPolarHBondContact O-CB 3.35Å; Q755-K759 WeakPolarHBondContact O-CD 3.31Å; Q755-K759 WeakPolarHBondContact O-CG 3.36Å; Q755-K759 PolarHBondContact O-N 2.76Å
756	A	97.9	Very high	97.8	Very high	44 Å²	44	104.5 Å²	104.5	36%	0.364	51%	0.508	S	S	.	.	H	α-helix	trans	-72.9	-34.1	174.3	0	0	0	0	0	112.2	A752 Q753 Y754 K760	A752-A756 WeakPolarHBondContact O-CB 3.49Å; A752-A756 PolarHBondContact O-N 3.03Å; Q753-A756 WeakPolarHBondContact O-CB 3.3Å; Q753-A756 PolarHBondContact O-N 3.33Å; Q753-A756 VanDerWaalsContact O-N 3.15Å; Y754-A756 PolarHBondContact O-N 3.47Å; A756-K760 WeakPolarHBondContact O-CG 3.48Å; A756-K760 PolarHBondContact O-N 2.76Å
757	L	97.9	Very high	97.8	Very high	108 Å²	108	103 Å²	103	57%	0.565	50%	0.503	S	S	*	.	H	α-helix	trans	-70.6	-45	173.3	-176.4	60.7	0	0	0	111.5	Q753 Y754 K759 K760 Y761	Q753-L757 PolarHBondContact O-N 3.37Å; Y754-L757 CarbonylContact O-C 3.57Å; Y754-L757 WeakPolarHBondContact O-CA 3.44Å; Y754-L757 WeakPolarHBondContact O-CB 3.49Å; Y754-L757 PolarHBondContact O-N 2.88Å; L757-K759 VanDerWaalsContact C-N 3.3Å; L757-K759 PolarHBondContact O-N 3.46Å; L757-K760 CarbonylContact O-C 3.58Å; L757-K760 WeakPolarHBondContact O-CA 3.44Å; L757-K760 WeakPolarHBondContact O-CB 3.49Å; L757-K760 PolarHBondContact O-N 2.98Å; L757-Y761 PolarHBondContact O-N 2.9Å
758	E	97.4	Very high	97.8	Very high	90 Å²	90	103.3 Å²	103.3	42%	0.421	50%	0.504	S	S	.	.	H	α-helix	trans	-55.2	-43.5	174	-179.2	-169.8	-153.8	0	0	111.6	Y754 K760 Y761 N762	Y754-E758 WeakPolarHBondContact O-CB 3.37Å; Y754-E758 PolarHBondContact O-N 3.04Å; E758-K760 VanDerWaalsContact C-N 3.34Å; E758-K760 PolarHBondContact O-N 3.47Å; E758-Y761 PolarHBondContact O-N 2.68Å; E758-N762 WeakPolarHBondContact CG-ND2 3.37Å; E758-N762 WeakPolarHBondContact O-CB 3.29Å; E758-N762 PolarHBondContact O-N 2.71Å; E758-N762 PolarHBondContact O-ND2 2.91Å
759	K	98.1	Very high	97.9	Very high	134 Å²	134	104.7 Å²	104.7	58%	0.583	51%	0.51	S	S	*	.	H	α-helix	trans	-64.4	-35.7	175.8	-72.7	161.3	-166.1	158.8	0	112.4	Q755 L757 K763	Q755-K759 WeakPolarHBondContact O-CB 3.35Å; Q755-K759 WeakPolarHBondContact O-CD 3.31Å; Q755-K759 WeakPolarHBondContact O-CG 3.36Å; Q755-K759 PolarHBondContact O-N 2.76Å; L757-K759 VanDerWaalsContact C-N 3.3Å; L757-K759 PolarHBondContact O-N 3.46Å; K759-K763 PolarHBondContact O-N 3.45Å
760	K	97.9	Very high	97.9	Very high	148 Å²	148	102.8 Å²	102.8	64%	0.643	50%	0.503	S	S	*	.	H	α-helix	trans	-69.2	-46.1	173.2	-69	168.1	-176.4	176.5	0	111.4	A756 L757 E758 K763 A764	A756-K760 WeakPolarHBondContact O-CG 3.48Å; A756-K760 PolarHBondContact O-N 2.76Å; L757-K760 CarbonylContact O-C 3.58Å; L757-K760 WeakPolarHBondContact O-CA 3.44Å; L757-K760 WeakPolarHBondContact O-CB 3.49Å; L757-K760 PolarHBondContact O-N 2.98Å; E758-K760 VanDerWaalsContact C-N 3.34Å; E758-K760 PolarHBondContact O-N 3.47Å; K760-K763 WeakPolarHBondContact O-CB 3.41Å; K760-K763 PolarHBondContact O-N 2.94Å; K760-A764 PolarHBondContact O-N 2.9Å
761	Y	98.3	Very high	97.9	Very high	140 Å²	140	107 Å²	107	55%	0.549	51%	0.512	S	S	.	.	H	α-helix	trans	-59.6	-47.4	177.4	173.3	-99.2	0	0	0	111.5	L757 E758 K763 A764 K765	L757-Y761 PolarHBondContact O-N 2.9Å; E758-Y761 PolarHBondContact O-N 2.68Å; Y761-K763 VanDerWaalsContact C-N 3.3Å; Y761-K763 PolarHBondContact O-N 3.5Å; Y761-A764 PolarHBondContact O-N 3.43Å; Y761-A764 VanDerWaalsContact O-N 3.13Å; Y761-K765 HydrophobicContact CE1-CD 3.97Å; Y761-K765 WeakPolarHBondContact O-CB 3.46Å; Y761-K765 PolarHBondContact O-N 3.09Å
762	N	98.3	Very high	97.9	Very high	84 Å²	84	107.1 Å²	107.1	45%	0.449	51%	0.513	S	S	.	.	H	α-helix	trans	-62.7	-34.4	176	-79.9	-63.2	0	0	0	112.8	E758 K766	E758-N762 WeakPolarHBondContact CG-ND2 3.37Å; E758-N762 WeakPolarHBondContact O-CB 3.29Å; E758-N762 PolarHBondContact O-N 2.71Å; E758-N762 PolarHBondContact O-ND2 2.91Å; N762-K766 PolarHBondContact O-N 2.93Å
763	K	98	Very high	97.9	Very high	148 Å²	148	109.3 Å²	109.3	64%	0.643	51%	0.513	S	S	*	.	H	α-helix	trans	-66.5	-42.2	171.9	-172.6	179.2	177.9	-176.9	0	112	K759 K760 Y761 K766 L767	K759-K763 PolarHBondContact O-N 3.45Å; K760-K763 WeakPolarHBondContact O-CB 3.41Å; K760-K763 PolarHBondContact O-N 2.94Å; Y761-K763 VanDerWaalsContact C-N 3.3Å; Y761-K763 PolarHBondContact O-N 3.5Å; K763-K766 PolarHBondContact O-N 3.37Å; K763-L767 WeakPolarHBondContact O-CG 3.46Å; K763-L767 PolarHBondContact O-N 2.98Å
764	A	98.2	Very high	97.9	Very high	46 Å²	46	108.6 Å²	108.6	38%	0.38	51%	0.508	S	S	.	.	H	α-helix	trans	-64.1	-45.2	175.2	0	0	0	0	0	111.6	K760 Y761 K766 L767 I768	K760-A764 PolarHBondContact O-N 2.9Å; Y761-A764 PolarHBondContact O-N 3.43Å; Y761-A764 VanDerWaalsContact O-N 3.13Å; A764-K766 VanDerWaalsContact C-N 3.3Å; A764-K766 PolarHBondContact O-N 3.29Å; A764-L767 PolarHBondContact O-N 3.45Å; A764-I768 WeakPolarHBondContact O-CG1 3.5Å; A764-I768 PolarHBondContact O-N 3.28Å
765	K	98.3	Very high	97.8	Very high	102 Å²	102	106.8 Å²	106.8	44%	0.443	51%	0.505	S	S	.	.	H	α-helix	trans	-60.1	-36.4	175.3	-169.9	167.4	-171.6	163.1	0	112.4	Y761 K769	Y761-K765 HydrophobicContact CE1-CD 3.97Å; Y761-K765 WeakPolarHBondContact O-CB 3.46Å; Y761-K765 PolarHBondContact O-N 3.09Å; K765-K769 PolarHBondContact O-N 3.04Å
766	K	98.3	Very high	97.8	Very high	129 Å²	129	105.6 Å²	105.6	56%	0.561	50%	0.504	S	S	*	.	H	α-helix	trans	-65.4	-49.5	169.3	176.9	167.2	176.9	171.6	0	111.6	N762 K763 A764 I768 K769 D770	N762-K766 PolarHBondContact O-N 2.93Å; K763-K766 PolarHBondContact O-N 3.37Å; A764-K766 VanDerWaalsContact C-N 3.3Å; A764-K766 PolarHBondContact O-N 3.29Å; K766-I768 VanDerWaalsContact C-N 3.27Å; K766-I768 PolarHBondContact O-N 3.02Å; K766-K769 CarbonylContact O-C 3.58Å; K766-K769 WeakPolarHBondContact O-CB 3.41Å; K766-K769 PolarHBondContact O-N 3.26Å; K766-D770 WeakPolarHBondContact CE-OD1 3.45Å; K766-D770 WeakPolarHBondContact CE-OD2 3.36Å; K766-D770 WeakPolarHBondContact CG-OD2 3.5Å; K766-D770 VanDerWaalsContact O-CG 3.3Å; K766-D770 PolarHBondContact O-N 2.86Å
767	L	98.3	Very high	97.7	Very high	83 Å²	83	107 Å²	107	44%	0.435	50%	0.503	S	S	.	.	H	α-helix	trans	-58.1	-39.7	-179.8	-73	170.3	0	0	0	112.2	K763 A764 K769 D770 F771	K763-L767 WeakPolarHBondContact O-CG 3.46Å; K763-L767 PolarHBondContact O-N 2.98Å; A764-L767 PolarHBondContact O-N 3.45Å; L767-K769 PolarHBondContact O-N 3.34Å; L767-D770 CarbonylContact O-C 3.49Å; L767-D770 PolarHBondContact O-N 2.86Å; L767-F771 WeakPolarHBondContact O-CD2 3.15Å; L767-F771 PolarHBondContact O-N 3.25Å
768	I	97.9	Very high	97.7	Very high	98 Å²	98	108.5 Å²	108.5	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-58.9	-46.9	174.3	-68	163.9	0	0	0	110.7	A764 K766 D770 F771 Q772	A764-I768 WeakPolarHBondContact O-CG1 3.5Å; A764-I768 PolarHBondContact O-N 3.28Å; K766-I768 VanDerWaalsContact C-N 3.27Å; K766-I768 PolarHBondContact O-N 3.02Å; I768-D770 PolarHBondContact O-N 2.81Å; I768-F771 PolarHBondContact O-N 2.81Å; I768-F771 VanDerWaalsContact O-N 3.14Å; I768-Q772 HydrophobicContact CG2-CG 4.45Å; I768-Q772 WeakPolarHBondContact O-CG 3.46Å; I768-Q772 PolarHBondContact O-N 3.36Å
769	K	97.9	Very high	97.7	Very high	137 Å²	137	108.2 Å²	108.2	60%	0.596	51%	0.506	S	S	*	.	H	α-helix	trans	-62.8	-40.8	173.8	-72.1	-165.5	170.2	-147.2	0	113.1	K765 K766 L767 F771 Q772 Q773	K765-K769 PolarHBondContact O-N 3.04Å; K766-K769 CarbonylContact O-C 3.58Å; K766-K769 WeakPolarHBondContact O-CB 3.41Å; K766-K769 PolarHBondContact O-N 3.26Å; L767-K769 PolarHBondContact O-N 3.34Å; K769-F771 PolarHBondContact O-N 3.47Å; K769-Q772 PolarHBondContact O-N 2.83Å; K769-Q773 VanDerWaalsContact O-CB 3.28Å; K769-Q773 WeakPolarHBondContact O-CB 3.31Å; K769-Q773 PolarHBondContact O-N 3.26Å
770	D	97.6	Very high	97.6	Very high	64 Å²	64	107.3 Å²	107.3	34%	0.342	50%	0.504	S	S	.	.	H	α-helix	trans	-66.3	-17.8	176.5	-62.8	-15.9	0	0	0	112.3	K766 L767 I768 K774	K766-D770 WeakPolarHBondContact CE-OD1 3.45Å; K766-D770 WeakPolarHBondContact CE-OD2 3.36Å; K766-D770 WeakPolarHBondContact CG-OD2 3.5Å; K766-D770 VanDerWaalsContact O-CG 3.3Å; K766-D770 PolarHBondContact O-N 2.86Å; L767-D770 CarbonylContact O-C 3.49Å; L767-D770 PolarHBondContact O-N 2.86Å; I768-D770 PolarHBondContact O-N 2.81Å; D770-K774 VanDerWaalsContact O-CD 3.3Å; D770-K774 WeakPolarHBondContact O-CD 3.36Å; D770-K774 WeakPolarHBondContact O-CE 3.43Å; D770-K774 WeakPolarHBondContact O-CG 3.49Å
771	F	98.1	Very high	97.6	Very high	139 Å²	139	106.1 Å²	106.1	61%	0.61	50%	0.499	S	S	*	.	H	α-helix	trans	-88.1	-49	170	-82.3	-67.5	0	0	0	112.2	L767 I768 K769 Q773 K774 E775	L767-F771 WeakPolarHBondContact O-CD2 3.15Å; L767-F771 PolarHBondContact O-N 3.25Å; I768-F771 PolarHBondContact O-N 2.81Å; I768-F771 VanDerWaalsContact O-N 3.14Å; K769-F771 PolarHBondContact O-N 3.47Å; F771-Q773 PolarHBondContact O-N 3.31Å; F771-K774 WeakPolarHBondContact O-CA 3.42Å; F771-K774 WeakPolarHBondContact O-CB 3.26Å; F771-K774 PolarHBondContact O-N 2.89Å; F771-E775 PolarHBondContact O-N 3.49Å
772	Q	97.8	Very high	97.5	Very high	105 Å²	105	104.1 Å²	104.1	49%	0.491	49%	0.494	S	S	.	.	H	α-helix	trans	-55.7	-39.9	176.2	-70.5	172.8	-44.9	0	0	111.9	I768 K769 K774 E775 V776	I768-Q772 HydrophobicContact CG2-CG 4.45Å; I768-Q772 WeakPolarHBondContact O-CG 3.46Å; I768-Q772 PolarHBondContact O-N 3.36Å; K769-Q772 PolarHBondContact O-N 2.83Å; Q772-K774 VanDerWaalsContact C-N 3.33Å; Q772-K774 PolarHBondContact O-N 3.49Å; Q772-E775 WeakPolarHBondContact O-CB 3.42Å; Q772-E775 PolarHBondContact O-N 3.06Å; Q772-V776 WeakPolarHBondContact O-CG2 3.46Å; Q772-V776 PolarHBondContact O-N 2.94Å
773	Q	97.8	Very high	97.4	Very high	102 Å²	102	102.8 Å²	102.8	48%	0.477	49%	0.487	S	S	.	.	H	α-helix	trans	-61.1	-39	173.9	177.6	57.5	39.3	0	0	112.5	K769 F771 E777	K769-Q773 VanDerWaalsContact O-CB 3.28Å; K769-Q773 WeakPolarHBondContact O-CB 3.31Å; K769-Q773 PolarHBondContact O-N 3.26Å; F771-Q773 PolarHBondContact O-N 3.31Å; Q773-E777 WeakPolarHBondContact CG-OE1 3.39Å; Q773-E777 PolarHBondContact NE2-OE1 3.16Å; Q773-E777 WeakPolarHBondContact O-CB 3.39Å; Q773-E777 WeakPolarHBondContact O-CG 3.4Å; Q773-E777 PolarHBondContact O-N 2.67Å
774	K	96.8	Very high	97.4	Very high	123 Å²	123	99.6 Å²	99.6	54%	0.535	48%	0.48	S	S	.	.	H	α-helix	trans	-73.2	-31.3	178	-71.9	171.5	-173.5	168.2	0	113.1	D770 F771 Q772 E777 F778	D770-K774 VanDerWaalsContact O-CD 3.3Å; D770-K774 WeakPolarHBondContact O-CD 3.36Å; D770-K774 WeakPolarHBondContact O-CE 3.43Å; D770-K774 WeakPolarHBondContact O-CG 3.49Å; F771-K774 WeakPolarHBondContact O-CA 3.42Å; F771-K774 WeakPolarHBondContact O-CB 3.26Å; F771-K774 PolarHBondContact O-N 2.89Å; Q772-K774 VanDerWaalsContact C-N 3.33Å; Q772-K774 PolarHBondContact O-N 3.49Å; K774-E777 CarbonylContact O-C 3.56Å; K774-E777 PolarHBondContact O-N 2.68Å; K774-F778 WeakPolarHBondContact O-CB 3.4Å; K774-F778 PolarHBondContact O-N 3.2Å
775	E	95.9	Very high	97.3	Very high	125 Å²	125	102.3 Å²	102.3	58%	0.584	49%	0.485	S	S	*	.	H	α-helix	trans	-65.7	-48.6	174.4	-174.7	166.7	-138.4	0	0	110.2	F771 Q772 E777 F778 I779	F771-E775 PolarHBondContact O-N 3.49Å; Q772-E775 WeakPolarHBondContact O-CB 3.42Å; Q772-E775 PolarHBondContact O-N 3.06Å; E775-E777 PolarHBondContact O-N 2.83Å; E775-F778 WeakPolarHBondContact O-CB 3.39Å; E775-F778 PolarHBondContact O-N 3.37Å; E775-I779 HydrophobicContact CG-CD1 4.37Å; E775-I779 WeakPolarHBondContact O-CG1 3.47Å; E775-I779 PolarHBondContact O-N 2.95Å
776	V	97.3	Very high	97.2	Very high	68 Å²	68	102.7 Å²	102.7	41%	0.412	48%	0.483	S	S	.	.	H	α-helix	trans	-59.2	-44.7	171.1	174.1	0	0	0	0	111.7	Q772 F778 I779 Q780	Q772-V776 WeakPolarHBondContact O-CG2 3.46Å; Q772-V776 PolarHBondContact O-N 2.94Å; V776-F778 PolarHBondContact O-N 2.98Å; V776-I779 PolarHBondContact O-N 3.04Å; V776-Q780 HydrophobicContact CG1-CG 4.45Å; V776-Q780 WeakPolarHBondContact O-CB 3.46Å; V776-Q780 VanDerWaalsContact O-CG 3.28Å; V776-Q780 WeakPolarHBondContact O-CG 3.41Å; V776-Q780 PolarHBondContact O-N 2.83Å
777	E	96.8	Very high	97.2	Very high	74 Å²	74	103 Å²	103	35%	0.346	48%	0.481	S	S	.	.	H	α-helix	trans	-66.1	-18.4	174.7	-80.4	175.9	-143.3	0	0	114.4	Q773 K774 E775 K781	Q773-E777 WeakPolarHBondContact CG-OE1 3.39Å; Q773-E777 PolarHBondContact NE2-OE1 3.16Å; Q773-E777 WeakPolarHBondContact O-CB 3.39Å; Q773-E777 WeakPolarHBondContact O-CG 3.4Å; Q773-E777 PolarHBondContact O-N 2.67Å; K774-E777 CarbonylContact O-C 3.56Å; K774-E777 PolarHBondContact O-N 2.68Å; E775-E777 PolarHBondContact O-N 2.83Å; E777-K781 WeakPolarHBondContact O-CD 3.21Å; E777-K781 VanDerWaalsContact O-CG 3.25Å; E777-K781 WeakPolarHBondContact O-CG 3.5Å; E777-K781 PolarHBondContact O-NZ 2.67Å; E777-K781 IonicContact OE2-NZ 2.68Å
778	F	97.2	Very high	97.1	Very high	139 Å²	139	107 Å²	107	61%	0.61	49%	0.49	S	S	*	.	H	α-helix	trans	-83.8	-48.9	174.7	-175.5	-88.3	0	0	0	109.9	K774 E775 V776 Q780 K781 E782	K774-F778 WeakPolarHBondContact O-CB 3.4Å; K774-F778 PolarHBondContact O-N 3.2Å; E775-F778 WeakPolarHBondContact O-CB 3.39Å; E775-F778 PolarHBondContact O-N 3.37Å; V776-F778 PolarHBondContact O-N 2.98Å; F778-Q780 VanDerWaalsContact C-N 3.31Å; F778-Q780 PolarHBondContact O-N 3.02Å; F778-K781 WeakPolarHBondContact O-CB 3.19Å; F778-K781 PolarHBondContact O-N 3.5Å; F778-E782 PolarHBondContact O-N 3.06Å
779	I	97.1	Very high	97	Very high	85 Å²	85	108 Å²	108	44%	0.436	50%	0.496	S	S	.	.	H	α-helix	trans	-55.1	-46.7	174.6	-64.7	162.8	0	0	0	110.4	E775 V776 K781 E782 D783	E775-I779 HydrophobicContact CG-CD1 4.37Å; E775-I779 WeakPolarHBondContact O-CG1 3.47Å; E775-I779 PolarHBondContact O-N 2.95Å; V776-I779 PolarHBondContact O-N 3.04Å; I779-K781 VanDerWaalsContact C-N 3.26Å; I779-K781 PolarHBondContact O-N 3.11Å; I779-E782 WeakPolarHBondContact O-CB 3.39Å; I779-E782 PolarHBondContact O-N 3.49Å; I779-E782 VanDerWaalsContact O-N 3.1Å; I779-D783 PolarHBondContact O-N 3.01Å
780	Q	97	Very high	97	Very high	114 Å²	114	106.6 Å²	106.6	53%	0.533	49%	0.492	S	S	.	.	H	α-helix	trans	-60.7	-30.7	176.5	-74.4	176.6	1.3	0	0	113.9	V776 F778 V784	V776-Q780 HydrophobicContact CG1-CG 4.45Å; V776-Q780 WeakPolarHBondContact O-CB 3.46Å; V776-Q780 VanDerWaalsContact O-CG 3.28Å; V776-Q780 WeakPolarHBondContact O-CG 3.41Å; V776-Q780 PolarHBondContact O-N 2.83Å; F778-Q780 VanDerWaalsContact C-N 3.31Å; F778-Q780 PolarHBondContact O-N 3.02Å; Q780-V784 WeakPolarHBondContact O-CB 3.35Å; Q780-V784 VanDerWaalsContact O-CG2 3.23Å; Q780-V784 WeakPolarHBondContact O-CG2 3.48Å; Q780-V784 PolarHBondContact O-N 2.67Å
781	K	96.3	Very high	97	Very high	124 Å²	124	109.4 Å²	109.4	54%	0.539	50%	0.502	S	S	.	.	H	α-helix	trans	-76.6	-39.1	174.7	-71.4	175.3	-169.2	90.9	0	111.1	E777 F778 I779 V784 E785	E777-K781 WeakPolarHBondContact O-CD 3.21Å; E777-K781 VanDerWaalsContact O-CG 3.25Å; E777-K781 WeakPolarHBondContact O-CG 3.5Å; E777-K781 PolarHBondContact O-NZ 2.67Å; E777-K781 IonicContact OE2-NZ 2.68Å; F778-K781 WeakPolarHBondContact O-CB 3.19Å; F778-K781 PolarHBondContact O-N 3.5Å; I779-K781 VanDerWaalsContact C-N 3.26Å; I779-K781 PolarHBondContact O-N 3.11Å; K781-V784 PolarHBondContact O-N 3.36Å; K781-E785 PolarHBondContact O-N 2.82Å
782	E	96.6	Very high	96.9	Very high	97 Å²	97	104.8 Å²	104.8	45%	0.453	49%	0.49	S	S	.	.	H	α-helix	trans	-61.5	-46.9	174.3	-162.8	-166.1	129.8	0	0	111.2	F778 I779 V784 E785 R786	F778-E782 PolarHBondContact O-N 3.06Å; I779-E782 WeakPolarHBondContact O-CB 3.39Å; I779-E782 PolarHBondContact O-N 3.49Å; I779-E782 VanDerWaalsContact O-N 3.1Å; E782-V784 VanDerWaalsContact C-N 3.29Å; E782-V784 PolarHBondContact O-N 3.28Å; E782-E785 PolarHBondContact O-N 2.8Å; E782-R786 VanDerWaalsContact O-CB 3.29Å; E782-R786 WeakPolarHBondContact O-CB 3.05Å; E782-R786 PolarHBondContact O-N 3.35Å; E782-R786 IonicContact OE1-CZ 2.99Å; E782-R786 IonicContact OE1-NH2 3.69Å; E782-R786 PolarHBondContact OE1-NH2 3.15Å
783	D	96.3	Very high	96.9	Very high	57 Å²	57	106.6 Å²	106.6	31%	0.305	50%	0.499	S	S	.	.	H	α-helix	trans	-63	-32.8	177.2	-71	-29.8	0	0	0	112.9	I779 R786 R787	I779-D783 PolarHBondContact O-N 3.01Å; D783-R786 IonicContact OD1-CZ 4Å; D783-R786 VanDerWaalsContact OD1-CZ 3.3Å; D783-R786 IonicContact OD1-NH1 2.99Å; D783-R786 PolarHBondContact OD1-NH1 2.91Å; D783-R786 IonicContact OD1-NH2 2.73Å; D783-R786 PolarHBondContact OD1-NH2 3.13Å; D783-R787 VanDerWaalsContact O-CB 3.31Å; D783-R787 WeakPolarHBondContact O-CB 3.47Å; D783-R787 PolarHBondContact O-N 2.93Å
784	V	97.4	Very high	96.9	Very high	80 Å²	80	109.2 Å²	109.2	49%	0.485	51%	0.508	S	S	.	.	H	α-helix	trans	-70.8	-44.2	175.1	164.3	0	0	0	0	111.5	Q780 K781 E782 R788	Q780-V784 WeakPolarHBondContact O-CB 3.35Å; Q780-V784 VanDerWaalsContact O-CG2 3.23Å; Q780-V784 WeakPolarHBondContact O-CG2 3.48Å; Q780-V784 PolarHBondContact O-N 2.67Å; K781-V784 PolarHBondContact O-N 3.36Å; E782-V784 VanDerWaalsContact C-N 3.29Å; E782-V784 PolarHBondContact O-N 3.28Å; V784-R788 WeakPolarHBondContact O-CB 3.47Å; V784-R788 PolarHBondContact O-N 2.96Å
785	E	95.9	Very high	96.9	Very high	103 Å²	103	106.1 Å²	106.1	48%	0.481	51%	0.506	S	S	.	.	H	α-helix	trans	-70.4	-34.7	175.5	-68.6	-60	148.1	0	0	112	K781 E782 R788 L789	K781-E785 PolarHBondContact O-N 2.82Å; E782-E785 PolarHBondContact O-N 2.8Å; E785-R788 WeakPolarHBondContact O-CB 3.38Å; E785-R788 PolarHBondContact O-N 3.39Å; E785-R788 WeakPolarHBondContact OE2-CD 3.43Å; E785-L789 WeakPolarHBondContact O-CG 3.44Å; E785-L789 PolarHBondContact O-N 3.18Å
786	R	97.4	Very high	97	Very high	111 Å²	111	105.5 Å²	105.5	42%	0.419	50%	0.503	S	S	.	.	H	α-helix	trans	-60.8	-51	172.7	-163.4	-170.8	-58.1	130.7	7.5	110.6	E782 D783 R788 L789 E790	E782-R786 VanDerWaalsContact O-CB 3.29Å; E782-R786 WeakPolarHBondContact O-CB 3.05Å; E782-R786 PolarHBondContact O-N 3.35Å; E782-R786 IonicContact OE1-CZ 2.99Å; E782-R786 IonicContact OE1-NH2 3.69Å; E782-R786 PolarHBondContact OE1-NH2 3.15Å; D783-R786 IonicContact OD1-CZ 4Å; D783-R786 VanDerWaalsContact OD1-CZ 3.3Å; D783-R786 IonicContact OD1-NH1 2.99Å; D783-R786 PolarHBondContact OD1-NH1 2.91Å; D783-R786 IonicContact OD1-NH2 2.73Å; D783-R786 PolarHBondContact OD1-NH2 3.13Å; R786-R788 VanDerWaalsContact C-N 3.32Å; R786-R788 PolarHBondContact O-N 3.03Å; R786-L789 WeakPolarHBondContact O-CB 3.41Å; R786-L789 PolarHBondContact O-N 3.34Å; R786-L789 VanDerWaalsContact O-N 3.1Å; R786-E790 WeakPolarHBondContact CG-OE1 3.42Å; R786-E790 WeakPolarHBondContact O-CG 3.48Å; R786-E790 PolarHBondContact O-N 2.87Å
787	R	97.1	Very high	97	Very high	134 Å²	134	106.7 Å²	106.7	51%	0.506	51%	0.506	S	S	.	.	H	α-helix	trans	-60.7	-39.2	175.6	-170.3	-176.7	-55.9	133	12.4	112.4	D783 L789 E790 E791	D783-R787 VanDerWaalsContact O-CB 3.31Å; D783-R787 WeakPolarHBondContact O-CB 3.47Å; D783-R787 PolarHBondContact O-N 2.93Å; R787-L789 VanDerWaalsContact C-N 3.29Å; R787-L789 PolarHBondContact O-N 3.24Å; R787-E790 PolarHBondContact O-N 3.46Å; R787-E791 HydrophobicContact CG-CG 4.37Å; R787-E791 WeakPolarHBondContact CG-OE1 3.42Å; R787-E791 WeakPolarHBondContact O-CB 3.46Å; R787-E791 WeakPolarHBondContact O-CG 3.49Å; R787-E791 PolarHBondContact O-N 3.27Å
788	R	97.6	Very high	97	Very high	169 Å²	169	105.9 Å²	105.9	64%	0.638	51%	0.513	S	S	*	.	H	α-helix	trans	-59.2	-40.3	174.7	-177.9	-162.1	173.4	83.9	9.3	111.6	V784 E785 R786 A792	V784-R788 WeakPolarHBondContact O-CB 3.47Å; V784-R788 PolarHBondContact O-N 2.96Å; E785-R788 WeakPolarHBondContact O-CB 3.38Å; E785-R788 PolarHBondContact O-N 3.39Å; E785-R788 WeakPolarHBondContact OE2-CD 3.43Å; R786-R788 VanDerWaalsContact C-N 3.32Å; R786-R788 PolarHBondContact O-N 3.03Å; R788-A792 WeakPolarHBondContact O-CB 3.36Å; R788-A792 PolarHBondContact O-N 3.04Å; R788-A792 VanDerWaalsContact O-N 3.12Å
789	L	95.8	Very high	97	Very high	119 Å²	119	105 Å²	105	62%	0.623	51%	0.51	S	S	*	.	H	α-helix	trans	-70.5	-43.9	175.9	-69.3	169.6	0	0	0	111.7	E785 R786 R787 E791 A792 E793	E785-L789 WeakPolarHBondContact O-CG 3.44Å; E785-L789 PolarHBondContact O-N 3.18Å; R786-L789 WeakPolarHBondContact O-CB 3.41Å; R786-L789 PolarHBondContact O-N 3.34Å; R786-L789 VanDerWaalsContact O-N 3.1Å; R787-L789 VanDerWaalsContact C-N 3.29Å; R787-L789 PolarHBondContact O-N 3.24Å; L789-E791 VanDerWaalsContact C-N 3.35Å; L789-E791 PolarHBondContact O-N 3.17Å; L789-A792 PolarHBondContact O-N 3.09Å; L789-E793 WeakPolarHBondContact O-CB 3.48Å; L789-E793 PolarHBondContact O-N 3.08Å
790	E	96.9	Very high	97	Very high	107 Å²	107	105.1 Å²	105.1	50%	0.5	51%	0.511	S	S	.	.	H	α-helix	trans	-59.2	-42.3	174.5	-69.3	165.7	-166.5	0	0	112.2	R786 R787 K794	R786-E790 WeakPolarHBondContact CG-OE1 3.42Å; R786-E790 WeakPolarHBondContact O-CG 3.48Å; R786-E790 PolarHBondContact O-N 2.87Å; R787-E790 PolarHBondContact O-N 3.46Å; E790-K794 WeakPolarHBondContact O-CB 3.31Å; E790-K794 PolarHBondContact O-N 3.28Å
791	E	97.4	Very high	97	Very high	122 Å²	122	104.6 Å²	104.6	57%	0.57	51%	0.508	S	S	*	.	H	α-helix	trans	-65.1	-39.1	175.6	-76.3	175.5	-165.4	0	0	112	R787 L789 A795	R787-E791 HydrophobicContact CG-CG 4.37Å; R787-E791 WeakPolarHBondContact CG-OE1 3.42Å; R787-E791 WeakPolarHBondContact O-CB 3.46Å; R787-E791 WeakPolarHBondContact O-CG 3.49Å; R787-E791 PolarHBondContact O-N 3.27Å; L789-E791 VanDerWaalsContact C-N 3.35Å; L789-E791 PolarHBondContact O-N 3.17Å; E791-A795 WeakPolarHBondContact O-CB 3.39Å; E791-A795 PolarHBondContact O-N 3.36Å
792	A	97.4	Very high	97	Very high	43 Å²	43	100.8 Å²	100.8	36%	0.355	50%	0.504	S	S	.	.	H	α-helix	trans	-69.7	-43.7	175.9	0	0	0	0	0	112.3	R788 L789 A795 H796	R788-A792 WeakPolarHBondContact O-CB 3.36Å; R788-A792 PolarHBondContact O-N 3.04Å; R788-A792 VanDerWaalsContact O-N 3.12Å; L789-A792 PolarHBondContact O-N 3.09Å; A792-A795 PolarHBondContact O-N 2.91Å; A792-H796 PolarHBondContact O-CD2 3.19Å; A792-H796 PolarHBondContact O-N 3.31Å
793	E	96.8	Very high	97	Very high	142 Å²	142	100.6 Å²	100.6	66%	0.664	51%	0.506	S	S	*	.	H	α-helix	trans	-60.7	-45.1	174.4	-177.9	173.9	-167.1	0	0	110.9	L789 A795 H796 L797	L789-E793 WeakPolarHBondContact O-CB 3.48Å; L789-E793 PolarHBondContact O-N 3.08Å; E793-A795 VanDerWaalsContact C-N 3.32Å; E793-A795 PolarHBondContact O-N 2.78Å; E793-H796 PolarHBondContact O-N 2.92Å; E793-L797 WeakPolarHBondContact O-CB 3.5Å; E793-L797 PolarHBondContact O-N 3.03Å
794	K	97.9	Very high	97	Very high	157 Å²	157	103.3 Å²	103.3	68%	0.683	52%	0.517	S	S	*	.	H	α-helix	trans	-61	-38.2	174.9	-175.6	176.3	-178.6	176.9	0	112.6	E790 A798	E790-K794 WeakPolarHBondContact O-CB 3.31Å; E790-K794 PolarHBondContact O-N 3.28Å; K794-A798 WeakPolarHBondContact O-CB 3.23Å; K794-A798 PolarHBondContact O-N 3.49Å
795	A	97.4	Very high	97	Very high	58 Å²	58	104.6 Å²	104.6	48%	0.479	52%	0.524	S	S	.	.	H	α-helix	trans	-66.5	-45	174.8	0	0	0	0	0	112	E791 A792 E793 A798 E799	E791-A795 WeakPolarHBondContact O-CB 3.39Å; E791-A795 PolarHBondContact O-N 3.36Å; A792-A795 PolarHBondContact O-N 2.91Å; E793-A795 VanDerWaalsContact C-N 3.32Å; E793-A795 PolarHBondContact O-N 2.78Å; A795-A798 PolarHBondContact O-N 3.01Å; A795-E799 PolarHBondContact O-N 2.72Å
796	H	97.1	Very high	97	Very high	112 Å²	112	107.9 Å²	107.9	52%	0.519	53%	0.532	S	S	.	.	H	α-helix	trans	-64.5	-38.7	175	-69.9	-49.8	0	0	0	112.4	A792 E793 A798 E799 I800	A792-H796 PolarHBondContact O-CD2 3.19Å; A792-H796 PolarHBondContact O-N 3.31Å; E793-H796 PolarHBondContact O-N 2.92Å; H796-A798 VanDerWaalsContact C-N 3.35Å; H796-A798 PolarHBondContact O-N 2.73Å; H796-E799 IonicContact ND1-OE2 2.73Å; H796-E799 PolarHBondContact O-N 3.29Å; H796-I800 WeakPolarHBondContact O-CB 3.39Å; H796-I800 WeakPolarHBondContact O-CD1 3.44Å; H796-I800 VanDerWaalsContact O-CG1 3.25Å; H796-I800 WeakPolarHBondContact O-CG1 3.34Å; H796-I800 PolarHBondContact O-N 2.85Å
797	L	97.4	Very high	97	Very high	93 Å²	93	106.9 Å²	106.9	49%	0.487	53%	0.534	S	S	.	.	H	α-helix	trans	-63	-41.3	175	-175.6	63.8	0	0	0	111.5	E793 I800 Q801	E793-L797 WeakPolarHBondContact O-CB 3.5Å; E793-L797 PolarHBondContact O-N 3.03Å; L797-I800 PolarHBondContact O-N 3.42Å; L797-Q801 VanDerWaalsContact O-CG 3.29Å; L797-Q801 WeakPolarHBondContact O-CG 3.28Å; L797-Q801 PolarHBondContact O-N 3.31Å
798	A	97.1	Very high	96.8	Very high	58 Å²	58	103 Å²	103	48%	0.479	53%	0.531	S	S	.	.	H	α-helix	trans	-66.4	-37.8	174.8	0	0	0	0	0	112.5	K794 A795 H796 Q801 G802	K794-A798 WeakPolarHBondContact O-CB 3.23Å; K794-A798 PolarHBondContact O-N 3.49Å; A795-A798 PolarHBondContact O-N 3.01Å; H796-A798 VanDerWaalsContact C-N 3.35Å; H796-A798 PolarHBondContact O-N 2.73Å; A798-Q801 PolarHBondContact O-N 2.86Å; A798-G802 PolarHBondContact O-N 3.24Å
799	E	97.2	Very high	96.7	Very high	121 Å²	121	97.4 Å²	97.4	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-63.8	-45.7	172.7	-177	173.3	-152.5	0	0	111.5	A795 H796 Q801 G802 L803	A795-E799 PolarHBondContact O-N 2.72Å; H796-E799 IonicContact ND1-OE2 2.73Å; H796-E799 PolarHBondContact O-N 3.29Å; E799-Q801 PolarHBondContact O-N 3.1Å; E799-G802 PolarHBondContact O-N 3.06Å; E799-L803 HydrophobicContact CG-CD1 4.16Å; E799-L803 WeakPolarHBondContact O-CB 3.28Å; E799-L803 WeakPolarHBondContact O-CG 3.42Å; E799-L803 PolarHBondContact O-N 3.45Å
800	I	96.8	Very high	96.7	Very high	86 Å²	86	96.3 Å²	96.3	44%	0.441	52%	0.515	S	S	.	.	H	α-helix	trans	-58.9	-45.6	175.5	-70.8	163.3	0	0	0	110.9	H796 L797 L803 Q804	H796-I800 WeakPolarHBondContact O-CB 3.39Å; H796-I800 WeakPolarHBondContact O-CD1 3.44Å; H796-I800 VanDerWaalsContact O-CG1 3.25Å; H796-I800 WeakPolarHBondContact O-CG1 3.34Å; H796-I800 PolarHBondContact O-N 2.85Å; L797-I800 PolarHBondContact O-N 3.42Å; I800-L803 PolarHBondContact O-N 2.67Å; I800-Q804 HydrophobicContact CG2-CG 4.5Å; I800-Q804 WeakPolarHBondContact O-CB 3.4Å; I800-Q804 VanDerWaalsContact O-CG 3.29Å; I800-Q804 WeakPolarHBondContact O-CG 3.3Å; I800-Q804 PolarHBondContact O-N 3.04Å
801	Q	97.2	Very high	96.5	Very high	104 Å²	104	96.2 Å²	96.2	49%	0.486	52%	0.515	S	S	.	.	H	α-helix	trans	-62.7	-43.1	176	-73	172.9	5.3	0	0	111.9	L797 A798 E799 L803 Q804 V805	L797-Q801 VanDerWaalsContact O-CG 3.29Å; L797-Q801 WeakPolarHBondContact O-CG 3.28Å; L797-Q801 PolarHBondContact O-N 3.31Å; A798-Q801 PolarHBondContact O-N 2.86Å; E799-Q801 PolarHBondContact O-N 3.1Å; Q801-L803 VanDerWaalsContact C-N 3.34Å; Q801-L803 PolarHBondContact O-N 2.96Å; Q801-Q804 PolarHBondContact O-N 3.32Å; Q801-V805 WeakPolarHBondContact O-CG2 3.34Å; Q801-V805 PolarHBondContact O-N 3.38Å
802	G	96.6	Very high	96.2	Very high	44 Å²	44	93.6 Å²	93.6	45%	0.454	51%	0.51	S	S	.	.	H	α-helix	trans	-62	-39.2	175.4	0	0	0	0	0	113.1	A798 E799 R806	A798-G802 PolarHBondContact O-N 3.24Å; E799-G802 PolarHBondContact O-N 3.06Å; G802-R806 WeakPolarHBondContact O-CB 3.45Å; G802-R806 PolarHBondContact O-N 2.91Å
803	L	96.7	Very high	96	Very high	92 Å²	92	96.6 Å²	96.6	48%	0.482	52%	0.516	S	S	.	.	H	α-helix	trans	-67.6	-42.4	174	-70.8	171.7	0	0	0	111.9	E799 I800 Q801 R806 I807	E799-L803 HydrophobicContact CG-CD1 4.16Å; E799-L803 WeakPolarHBondContact O-CB 3.28Å; E799-L803 WeakPolarHBondContact O-CG 3.42Å; E799-L803 PolarHBondContact O-N 3.45Å; I800-L803 PolarHBondContact O-N 2.67Å; Q801-L803 VanDerWaalsContact C-N 3.34Å; Q801-L803 PolarHBondContact O-N 2.96Å; L803-R806 PolarHBondContact O-N 3.27Å; L803-I807 VanDerWaalsContact O-CG1 3.27Å; L803-I807 WeakPolarHBondContact O-CG1 3.48Å; L803-I807 PolarHBondContact O-N 2.93Å
804	Q	96.4	Very high	95.6	Very high	115 Å²	115	94.6 Å²	94.6	54%	0.537	51%	0.51	S	S	.	.	H	α-helix	trans	-59.4	-46.9	174.9	-75.4	171	-6	0	0	111.9	I800 Q801 R806 I807 A808	I800-Q804 HydrophobicContact CG2-CG 4.5Å; I800-Q804 WeakPolarHBondContact O-CB 3.4Å; I800-Q804 VanDerWaalsContact O-CG 3.29Å; I800-Q804 WeakPolarHBondContact O-CG 3.3Å; I800-Q804 PolarHBondContact O-N 3.04Å; Q801-Q804 PolarHBondContact O-N 3.32Å; Q804-R806 VanDerWaalsContact C-N 3.31Å; Q804-R806 PolarHBondContact O-N 2.98Å; Q804-I807 PolarHBondContact O-N 3.43Å; Q804-A808 PolarHBondContact O-N 3.3Å
805	V	97	Very high	95	Very high	106 Å²	106	92.9 Å²	92.9	64%	0.642	51%	0.506	S	S	*	.	H	α-helix	trans	-60.6	-40.8	175.8	171.1	0	0	0	0	111.2	Q801 A809	Q801-V805 WeakPolarHBondContact O-CG2 3.34Å; Q801-V805 PolarHBondContact O-N 3.38Å; V805-A809 WeakPolarHBondContact O-CB 3.09Å; V805-A809 PolarHBondContact O-N 2.9Å
806	R	96.9	Very high	94.5	Very high	172 Å²	172	95.8 Å²	95.8	65%	0.649	51%	0.51	S	S	*	.	H	α-helix	trans	-67.8	-38	177.1	-172.4	175.7	-177	173.3	1.7	112.9	G802 L803 Q804 A809 L810	G802-R806 WeakPolarHBondContact O-CB 3.45Å; G802-R806 PolarHBondContact O-N 2.91Å; L803-R806 PolarHBondContact O-N 3.27Å; Q804-R806 VanDerWaalsContact C-N 3.31Å; Q804-R806 PolarHBondContact O-N 2.98Å; R806-A809 PolarHBondContact O-N 3.07Å; R806-L810 HydrophobicContact CG-CD1 4.26Å; R806-L810 WeakPolarHBondContact O-CG 3.15Å; R806-L810 PolarHBondContact O-N 3.36Å
807	I	95.4	Very high	94	Very high	90 Å²	90	94.3 Å²	94.3	46%	0.462	51%	0.505	S	S	.	.	H	α-helix	trans	-63.3	-51.7	174.5	-71.3	162.8	0	0	0	109.5	L803 Q804 A809 L810 E811	L803-I807 VanDerWaalsContact O-CG1 3.27Å; L803-I807 WeakPolarHBondContact O-CG1 3.48Å; L803-I807 PolarHBondContact O-N 2.93Å; Q804-I807 PolarHBondContact O-N 3.43Å; I807-A809 VanDerWaalsContact C-N 3.27Å; I807-A809 PolarHBondContact O-N 3.49Å; I807-L810 PolarHBondContact O-N 3.14Å; I807-L810 VanDerWaalsContact O-N 3.07Å; I807-E811 HydrophobicContact CG2-CG 4.2Å; I807-E811 WeakPolarHBondContact O-CB 3.45Å; I807-E811 WeakPolarHBondContact O-CG 3.34Å; I807-E811 PolarHBondContact O-N 3.19Å
808	A	94.8	Very high	93.1	Very high	54 Å²	54	92.5 Å²	92.5	45%	0.446	50%	0.495	S	S	.	.	H	α-helix	trans	-58.3	-37.2	178.2	0	0	0	0	0	112.8	Q804 S812	Q804-A808 PolarHBondContact O-N 3.3Å; A808-S812 WeakPolarHBondContact O-CB 3.27Å; A808-S812 PolarHBondContact O-N 2.95Å
809	A	95.1	Very high	92.4	Very high	51 Å²	51	98.2 Å²	98.2	42%	0.421	51%	0.509	S	S	.	.	H	α-helix	trans	-63.3	-48.9	173.3	0	0	0	0	0	112.1	V805 R806 I807 E811 S812 E813	V805-A809 WeakPolarHBondContact O-CB 3.09Å; V805-A809 PolarHBondContact O-N 2.9Å; R806-A809 PolarHBondContact O-N 3.07Å; I807-A809 VanDerWaalsContact C-N 3.27Å; I807-A809 PolarHBondContact O-N 3.49Å; A809-E811 PolarHBondContact O-N 2.93Å; A809-S812 PolarHBondContact O-N 3.36Å; A809-S812 VanDerWaalsContact O-N 3.17Å; A809-S812 PolarHBondContact O-OG 3.47Å; A809-E813 PolarHBondContact O-N 2.92Å
810	L	95.2	Very high	91.5	Very high	95 Å²	95	98.9 Å²	98.9	50%	0.497	51%	0.512	S	S	.	.	H	α-helix	trans	-65.1	-36.2	177.7	-71	168.6	0	0	0	112.7	R806 I807 S812 E813 L814	R806-L810 HydrophobicContact CG-CD1 4.26Å; R806-L810 WeakPolarHBondContact O-CG 3.15Å; R806-L810 PolarHBondContact O-N 3.36Å; I807-L810 PolarHBondContact O-N 3.14Å; I807-L810 VanDerWaalsContact O-N 3.07Å; L810-S812 VanDerWaalsContact C-N 3.34Å; L810-E813 PolarHBondContact O-N 3.27Å; L810-L814 VanDerWaalsContact O-CB 3.27Å; L810-L814 WeakPolarHBondContact O-CB 3.47Å; L810-L814 PolarHBondContact O-N 2.95Å
811	E	92.4	Very high	90.6	Very high	106 Å²	106	100.3 Å²	100.3	50%	0.495	52%	0.52	S	S	.	.	H	α-helix	trans	-64.4	-38.7	172.2	-72.3	176.1	159.9	0	0	111.5	I807 A809 L814 M815	I807-E811 HydrophobicContact CG2-CG 4.2Å; I807-E811 WeakPolarHBondContact O-CB 3.45Å; I807-E811 WeakPolarHBondContact O-CG 3.34Å; I807-E811 PolarHBondContact O-N 3.19Å; A809-E811 PolarHBondContact O-N 2.93Å; E811-L814 PolarHBondContact O-N 3.26Å; E811-M815 HydrophobicContact CB-CE 4.48Å; E811-M815 WeakPolarHBondContact O-CB 3.5Å; E811-M815 WeakPolarHBondContact O-CE 3.48Å; E811-M815 WeakPolarHBondContact O-CG 3.4Å; E811-M815 PolarHBondContact O-N 2.83Å
812	S	92.5	Very high	89	Confident	66 Å²	66	98.5 Å²	98.5	46%	0.462	53%	0.529	S	S	.	.	H	α-helix	trans	-67.6	-40.1	175.5	81.2	0	0	0	0	112.8	A808 A809 L810 M815 Q816	A808-S812 WeakPolarHBondContact O-CB 3.27Å; A808-S812 PolarHBondContact O-N 2.95Å; A809-S812 PolarHBondContact O-N 3.36Å; A809-S812 VanDerWaalsContact O-N 3.17Å; A809-S812 PolarHBondContact O-OG 3.47Å; L810-S812 VanDerWaalsContact C-N 3.34Å; S812-M815 PolarHBondContact O-N 3.28Å; S812-Q816 WeakPolarHBondContact O-CB 3.47Å; S812-Q816 PolarHBondContact O-N 2.95Å
813	E	92.1	Very high	87.4	Confident	106 Å²	106	101.4 Å²	101.4	50%	0.495	53%	0.534	S	S	.	.	H	α-helix	trans	-66	-43.4	174.4	-175.2	176.4	-166.6	0	0	111	A809 L810 Q816 L817	A809-E813 PolarHBondContact O-N 2.92Å; L810-E813 PolarHBondContact O-N 3.27Å; E813-Q816 WeakPolarHBondContact O-CB 3.29Å; E813-Q816 PolarHBondContact O-N 2.99Å; E813-L817 HydrophobicContact CG-CD1 4.18Å; E813-L817 WeakPolarHBondContact O-CB 3.35Å; E813-L817 WeakPolarHBondContact O-CG 3.4Å; E813-L817 PolarHBondContact O-N 3.17Å
814	L	88.7	Confident	85.5	Confident	100 Å²	100	106.1 Å²	106.1	52%	0.524	55%	0.553	S	S	.	*	H	α-helix	trans	-59.4	-47.8	173.8	178.3	61.2	0	0	0	111.4	L810 E811 Q816 L817 M818	L810-L814 VanDerWaalsContact O-CB 3.27Å; L810-L814 WeakPolarHBondContact O-CB 3.47Å; L810-L814 PolarHBondContact O-N 2.95Å; E811-L814 PolarHBondContact O-N 3.26Å; L814-Q816 VanDerWaalsContact C-N 3.29Å; L814-Q816 PolarHBondContact O-N 2.88Å; L814-L817 PolarHBondContact O-N 3.21Å; L814-M818 HydrophobicContact CD1-CG 4.22Å; L814-M818 HydrophobicContact CD1-SD 4.25Å; L814-M818 HydrophobicContact CG-SD 4.13Å; L814-M818 WeakPolarHBondContact O-CB 3.29Å; L814-M818 VanDerWaalsContact O-CG 3.27Å; L814-M818 WeakPolarHBondContact O-CG 3.36Å; L814-M818 PolarHBondContact O-N 3.22Å
815	M	85.6	Confident	83.6	Confident	121 Å²	121	105 Å²	105	60%	0.596	55%	0.554	S	S	*	*	H	α-helix	trans	-60.7	-38	175	-77.8	-172.2	-80	0	0	112.2	E811 S812 K819	E811-M815 HydrophobicContact CB-CE 4.48Å; E811-M815 WeakPolarHBondContact O-CB 3.5Å; E811-M815 WeakPolarHBondContact O-CE 3.48Å; E811-M815 WeakPolarHBondContact O-CG 3.4Å; E811-M815 PolarHBondContact O-N 2.83Å; S812-M815 PolarHBondContact O-N 3.28Å; M815-K819 VanDerWaalsContact O-CB 3.28Å; M815-K819 WeakPolarHBondContact O-CB 3.43Å; M815-K819 PolarHBondContact O-N 3.48Å
816	Q	87.3	Confident	81.6	Confident	120 Å²	120	106.4 Å²	106.4	56%	0.561	56%	0.558	S	S	*	*	H	α-helix	trans	-66.4	-43.2	176	-168.9	174.2	19.7	0	0	111.8	S812 E813 L814 K819 Q820	S812-Q816 WeakPolarHBondContact O-CB 3.47Å; S812-Q816 PolarHBondContact O-N 2.95Å; E813-Q816 WeakPolarHBondContact O-CB 3.29Å; E813-Q816 PolarHBondContact O-N 2.99Å; L814-Q816 VanDerWaalsContact C-N 3.29Å; L814-Q816 PolarHBondContact O-N 2.88Å; Q816-K819 PolarHBondContact O-N 3.37Å; Q816-Q820 WeakPolarHBondContact O-CG 3.17Å; Q816-Q820 PolarHBondContact O-N 2.79Å
817	L	84.9	Confident	79.8	Confident	80 Å²	80	103.2 Å²	103.2	42%	0.419	55%	0.554	S	S	.	*	H	α-helix	trans	-66.4	-41.7	176.1	-73.4	168.7	0	0	0	112.2	E813 L814 K819 Q820 N821	E813-L817 HydrophobicContact CG-CD1 4.18Å; E813-L817 WeakPolarHBondContact O-CB 3.35Å; E813-L817 WeakPolarHBondContact O-CG 3.4Å; E813-L817 PolarHBondContact O-N 3.17Å; L814-L817 PolarHBondContact O-N 3.21Å; L817-K819 VanDerWaalsContact C-N 3.32Å; L817-K819 PolarHBondContact O-N 2.95Å; L817-Q820 PolarHBondContact O-N 2.76Å; L817-N821 WeakPolarHBondContact O-CB 3.14Å; L817-N821 PolarHBondContact O-N 3.48Å; L817-N821 PolarHBondContact O-ND2 2.86Å
818	M	80.3	Confident	77.7	Confident	55 Å²	55	105.9 Å²	105.9	27%	0.271	57%	0.569	S	S	.	*	H	α-helix	trans	-61.7	-41.4	174.5	-69.2	179.3	101	0	0	111.3	L814 N821 G822 I823 V825	L814-M818 HydrophobicContact CD1-CG 4.22Å; L814-M818 HydrophobicContact CD1-SD 4.25Å; L814-M818 HydrophobicContact CG-SD 4.13Å; L814-M818 WeakPolarHBondContact O-CB 3.29Å; L814-M818 VanDerWaalsContact O-CG 3.27Å; L814-M818 WeakPolarHBondContact O-CG 3.36Å; L814-M818 PolarHBondContact O-N 3.22Å; M818-N821 PolarHBondContact O-N 2.89Å; M818-G822 PolarHBondContact O-N 2.92Å; M818-I823 HydrophobicContact CE-CG2 4.44Å; M818-I823 PolarHBondContact O-N 3.1Å; M818-I823 VanDerWaalsContact O-N 3.1Å; M818-V825 HydrophobicContact CB-CG2 4.29Å; M818-V825 HydrophobicContact CE-CG2 3.68Å; M818-V825 HydrophobicContact SD-CG2 3.76Å
819	K	80.8	Confident	75.7	Confident	179 Å²	179	109.2 Å²	109.2	78%	0.778	58%	0.579	S	S	*	*	H	α-helix	trans	-65.4	-39.1	175.1	-174.7	175.8	-179	177.5	0	112.9	M815 Q816 L817	M815-K819 VanDerWaalsContact O-CB 3.28Å; M815-K819 WeakPolarHBondContact O-CB 3.43Å; M815-K819 PolarHBondContact O-N 3.48Å; Q816-K819 PolarHBondContact O-N 3.37Å; L817-K819 VanDerWaalsContact C-N 3.32Å; L817-K819 PolarHBondContact O-N 2.95Å
820	Q	78.4	Confident	73.4	Confident	135 Å²	135	110.1 Å²	110.1	63%	0.631	58%	0.582	S	S	*	*	H	α-helix	trans	-67.5	-37.6	175.5	-76.3	175.3	3.2	0	0	112.7	Q816 L817 G822	Q816-Q820 WeakPolarHBondContact O-CG 3.17Å; Q816-Q820 PolarHBondContact O-N 2.79Å; L817-Q820 PolarHBondContact O-N 2.76Å; Q820-G822 VanDerWaalsContact C-N 3.29Å; Q820-G822 PolarHBondContact O-N 3.31Å
821	N	77.9	Confident	71	Confident	115 Å²	115	112.7 Å²	112.7	62%	0.615	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	4.2	-179.7	-70.9	-77.6	0	0	0	114	L817 M818 I823	L817-N821 WeakPolarHBondContact O-CB 3.14Å; L817-N821 PolarHBondContact O-N 3.48Å; L817-N821 PolarHBondContact O-ND2 2.86Å; M818-N821 PolarHBondContact O-N 2.89Å; N821-I823 VanDerWaalsContact C-N 3.25Å; N821-I823 HydrophobicContact CB-CD1 4.32Å; N821-I823 HydrophobicContact CB-CG1 4.27Å; N821-I823 PolarHBondContact O-N 3.38Å
822	G	64.8	Low	68.6	Low	66 Å²	66	111 Å²	111	68%	0.68	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.2	16.5	177	0	0	0	0	0	115	M818 Q820 Q824	M818-G822 PolarHBondContact O-N 2.92Å; Q820-G822 VanDerWaalsContact C-N 3.29Å; Q820-G822 PolarHBondContact O-N 3.31Å; G822-Q824 PolarHBondContact O-N 2.78Å
823	I	62.9	Low	66.1	Low	106 Å²	106	112.5 Å²	112.5	54%	0.544	61%	0.607	S	S	.	*			trans	-84.7	109.2	-177.6	-58.4	178.2	0	0	0	109	M818 N821 V825	M818-I823 HydrophobicContact CE-CG2 4.44Å; M818-I823 PolarHBondContact O-N 3.1Å; M818-I823 VanDerWaalsContact O-N 3.1Å; N821-I823 VanDerWaalsContact C-N 3.25Å; N821-I823 HydrophobicContact CB-CD1 4.32Å; N821-I823 HydrophobicContact CB-CG1 4.27Å; N821-I823 PolarHBondContact O-N 3.38Å; I823-V825 PolarHBondContact O-N 2.73Å
824	Q	56.2	Low	63.7	Low	191 Å²	191	114.8 Å²	114.8	89%	0.893	62%	0.618	S	S	*	*			trans	-74.1	112.2	-179	-165.3	172.4	32.5	0	0	110.8	G822 N826	G822-Q824 PolarHBondContact O-N 2.78Å; Q824-N826 PolarHBondContact O-N 3.27Å
825	V	57.4	Low	61.4	Low	90 Å²	90	120.9 Å²	120.9	55%	0.545	63%	0.634	S	S	.	*			trans	-76.7	110.8	-179.1	-166.7	0	0	0	0	109.9	M818 I823 N827	M818-V825 HydrophobicContact CB-CG2 4.29Å; M818-V825 HydrophobicContact CE-CG2 3.68Å; M818-V825 HydrophobicContact SD-CG2 3.76Å; I823-V825 PolarHBondContact O-N 2.73Å; V825-N827 PolarHBondContact O-N 3.42Å
826	N	53.5	Low	59.3	Low	136 Å²	136	123 Å²	123	73%	0.727	65%	0.646	S	S	*	*			trans	-75.8	89.8	173.2	-174.8	41.6	0	0	0	110.1	Q824 N828	Q824-N826 PolarHBondContact O-N 3.27Å; N826-N828 PolarHBondContact O-N 3.35Å; N826-N828 VanDerWaalsContact O-N 3.08Å
827	N	58.8	Low	56.8	Low	105 Å²	105	122.1 Å²	122.1	56%	0.561	65%	0.654	S	S	*	*			trans	-72.4	101.1	-178.2	178.8	29.2	0	0	0	111.7	V825 S830	V825-N827 PolarHBondContact O-N 3.42Å; N827-S830 PolarHBondContact ND2-OG 3.31Å; N827-S830 PolarHBondContact OD1-OG 3.02Å
828	N	52.5	Low	54.8	Low	146 Å²	146	122.6 Å²	122.6	78%	0.781	67%	0.669	S	S	*	*			trans	-126.4	22.5	178.6	-119.8	12.9	0	0	0	112.7	N826	N826-N828 PolarHBondContact O-N 3.35Å; N826-N828 VanDerWaalsContact O-N 3.08Å
829	N	52.7	Low	52.8	Low	124 Å²	124	128.9 Å²	128.9	66%	0.663	70%	0.698	S	S	*	*			trans	-136.9	37.5	-178.5	-163.5	46.4	0	0	0	114.2	N831	N829-N831 VanDerWaalsContact C-N 3.31Å
830	S	46.6	Very low	50.9	Low	70 Å²	70	129 Å²	129	49%	0.49	70%	0.701	S	S	.	*			trans	-79.7	-7.9	173.3	-62.4	0	0	0	0	114.3	N827 S832	N827-S830 PolarHBondContact ND2-OG 3.31Å; N827-S830 PolarHBondContact OD1-OG 3.02Å; S830-S832 PolarHBondContact O-N 3.49Å
831	N	44.2	Very low	48.8	Very low	149 Å²	149	131.9 Å²	131.9	80%	0.797	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	8.4	-170.1	-90.7	38.6	0	0	0	116.1	N829	N829-N831 VanDerWaalsContact C-N 3.31Å
832	S	43	Very low	46.9	Very low	72 Å²	72	131.9 Å²	131.9	50%	0.503	72%	0.723	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.6	-25.2	178.5	55.3	0	0	0	0	114.7	S830	S830-S832 PolarHBondContact O-N 3.49Å
833	S	40.5	Very low	46	Very low	96 Å²	96	135 Å²	135	67%	0.671	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-87.3	-23.8	-169	-57.4	0	0	0	0	114.8	R835	S833-R835 PolarHBondContact O-N 3.23Å; S833-R835 VanDerWaalsContact O-N 3.16Å
834	E	41	Very low	44.5	Very low	154 Å²	154	136 Å²	136	72%	0.72	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-73.9	-1.6	-178.2	-64.9	-169.1	133	0	0	114.2
835	R	40.1	Very low	43.3	Very low	228 Å²	228	130.1 Å²	130.1	86%	0.86	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-94.1	4.6	-173.3	-129.3	-179.8	-171.3	-145.3	-1	115.7	S833	S833-R835 PolarHBondContact O-N 3.23Å; S833-R835 VanDerWaalsContact O-N 3.16Å
836	L	42.2	Very low	41.9	Very low	165 Å²	165	130.8 Å²	130.8	86%	0.864	75%	0.754	S	S	*	*	S	Bend	trans	-120.5	-5.5	-177.9	-66.6	175.6	0	0	0	114.5
837	S	35	Very low	40.8	Very low	102 Å²	102	129.3 Å²	129.3	71%	0.713	76%	0.76	S	S	*	*	S	Bend	trans	-90.5	-2.8	178.9	48.2	0	0	0	0	114.4
838	A	42.8	Very low	39.4	Very low	90 Å²	90	129 Å²	129	74%	0.744	77%	0.772	S	S	*	*	S	Bend	trans	-108.5	33.1	-166.5	0	0	0	0	0	114.8
839	Q	37.6	Very low	38.2	Very low	187 Å²	187	130.8 Å²	130.8	87%	0.874	78%	0.776	S	S	*	*			trans	-146.8	53.4	174.3	-158.6	140.1	16	0	0	115.3
840	Q	41.9	Very low	37.7	Very low	182 Å²	182	130.3 Å²	130.3	85%	0.85	78%	0.78	S	S	*	*			trans	-129.6	94.8	153.7	-80.3	-163.5	-11.4	0	0	110.7
841	H	32.5	Very low	36.8	Very low	195 Å²	195	137.6 Å²	137.6	90%	0.903	80%	0.796	S	S	*	*			trans	-158.9	122.3	151.2	-89.5	-59.7	0	0	0	108.9
842	S	37.8	Very low	35.8	Very low	115 Å²	115	137 Å²	137	80%	0.804	79%	0.789	S	S	*	*			trans	-72.9	166.2	166.5	-46.7	0	0	0	0	110.5
843	P	45.9	Very low	35	Very low	131 Å²	131	139.6 Å²	139.6	85%	0.851	80%	0.801	S	S	*	*				-138.7	168.6	106.5	38	-27.4	0	0	0	114.3
844	S	32.8	Very low	34.2	Very low	129 Å²	129	142 Å²	142	90%	0.902	81%	0.807	S	S	*	*			trans	-97.4	154.9	171.6	-179	0	0	0	0	110.7
845	G	30.2	Very low	33.3	Very low	67 Å²	67	143.5 Å²	143.5	69%	0.691	81%	0.814	S	S	*	*			trans	151.9	92.2	160.6	0	0	0	0	0	119.4
846	A	29	Very low	32.5	Very low	104 Å²	104	136 Å²	136	86%	0.86	81%	0.808	S	S	*	*			trans	70.8	156.3	139.4	0	0	0	0	0	123.2
847	A	29.7	Very low	31.8	Very low	104 Å²	104	133.7 Å²	133.7	86%	0.86	81%	0.805	S	S	*	*			trans	70.5	135.9	171.8	0	0	0	0	0	117.4
848	A	29.4	Very low	31.3	Very low	99 Å²	99	133.2 Å²	133.2	82%	0.818	80%	0.802	S	S	*	*			cis	-146.2	174.7	1.7	0	0	0	0	0	113.8
849	Q	28.4	Very low	30.5	Very low	183 Å²	183	137.4 Å²	137.4	86%	0.855	81%	0.806	S	S	*	*			trans	-45.3	162	-166.4	-66.1	-166.8	1.8	0	0	121.1
850	P	40.9	Very low	30	Very low	115 Å²	115	135.7 Å²	135.7	75%	0.747	81%	0.809	S	S	*	*			trans	-89.8	149.1	173	37.2	-35.4	0	0	0	114.3
851	R	27.6	Very low	29.1	Very low	222 Å²	222	129.9 Å²	129.9	84%	0.838	80%	0.797	S	S	*	*			trans	164.5	149.6	159.8	-92.8	170.3	-170	-116	11.7	105.4
852	E	24.1	Very low	28.9	Very low	138 Å²	138	126.6 Å²	126.6	65%	0.645	80%	0.795	S	S	*	*			cis	-153.5	173.1	1.3	-129.1	153.4	-133.4	0	0	109.2
853	V	26.4	Very low	28.4	Very low	125 Å²	125	127.9 Å²	127.9	76%	0.758	80%	0.798	S	S	*	*			trans	6.5	129	150.6	177.9	0	0	0	0	118.7
854	D	22.5	Very low	27.4	Very low	147 Å²	147	124.7 Å²	124.7	79%	0.786	79%	0.789	S	S	*	*				-168	169.8	101.7	-148.6	5.7	0	0	0	115.5
855	E	23.4	Very low	27	Very low	185 Å²	185	127.1 Å²	127.1	86%	0.864	79%	0.792	S	S	*	*			trans	-66.1	177.4	171.7	-54.9	-173	138	0	0	113.7
856	G	23.4	Very low	26.8	Very low	72 Å²	72	127.8 Å²	127.8	74%	0.742	80%	0.799	S	S	*	*			trans	-157.3	-22	-172.2	0	0	0	0	0	124.5
857	S	25.7	Very low	26.7	Very low	116 Å²	116	129.3 Å²	129.3	81%	0.811	80%	0.797	S	S	*	*			trans	64.2	167.9	163.8	-161.4	0	0	0	0	120.6
858	S	25.2	Very low	26.4	Very low	92 Å²	92	128.3 Å²	128.3	64%	0.643	78%	0.784	S	S	*	*			trans	59	109.9	156.9	-58.6	0	0	0	0	120.3
859	Q	26.6	Very low	26.2	Very low	178 Å²	178	132.4 Å²	132.4	83%	0.832	78%	0.784	S	S	*	*				65.5	100.7	73.2	-68.8	-169.3	15	0	0	115.8
860	T	27.4	Very low	26.1	Very low	151 Å²	151	130.3 Å²	130.3	93%	0.926	77%	0.774	S	S	*	*				174.6	153.6	124.7	27.3	0	0	0	0	108.1
861	G	23	Very low	25.4	Very low	59 Å²	59	133 Å²	133	61%	0.608	78%	0.776	S	S	*	*			cis	140.7	143.8	3.2	0	0	0	0	0	109.7
862	C	27.3	Very low	25.3	Very low	127 Å²	127	125.6 Å²	125.6	86%	0.858	77%	0.769	S	S	*	*			trans	68.6	149.3	-176	-55.5	0	0	0	0	114.4
863	T	27.1	Very low	25.5	Very low	141 Å²	141	127.7 Å²	127.7	87%	0.865	78%	0.779	S	S	*	*			cis	-151.6	165.3	-7	0.1	0	0	0	0	109.6
864	G	25.8	Very low	25.5	Very low	64 Å²	64	128.6 Å²	128.6	66%	0.66	78%	0.778	S	S	*	*			trans	-102.3	-165.8	179.8	0	0	0	0	0	115.5
865	D	24.5	Very low	25.8	Very low	181 Å²	181	126 Å²	126	97%	0.968	77%	0.772	S	S	*	*			trans	70.7	134.6	175.5	-57.5	-30.3	0	0	0	117.9
866	G	25.9	Very low	26	Very low	81 Å²	81	124.6 Å²	124.6	84%	0.835	77%	0.765	S	S	*	*			trans	172.3	59.9	-174	0	0	0	0	0	116.2
867	V	25.8	Very low	26.1	Very low	135 Å²	135	125.1 Å²	125.1	82%	0.818	76%	0.762	S	S	*	*			trans	-60.3	134.6	-173	-87.8	0	0	0	0	118.5
868	S	23.7	Very low	26.1	Very low	84 Å²	84	130.8 Å²	130.8	59%	0.587	77%	0.766	S	S	*	*				79.9	161.6	126.3	71.9	0	0	0	0	124
869	F	24.8	Very low	26.1	Very low	185 Å²	185	130.1 Å²	130.1	81%	0.811	77%	0.773	S	S	*	*			trans	76.2	148.7	159.1	-66.7	-51.3	0	0	0	118.4
870	Q	27.5	Very low	26.2	Very low	139 Å²	139	127.4 Å²	127.4	65%	0.65	77%	0.774	S	S	*	*			cis	-166.9	167	-4.9	157	168.4	-25	0	0	111.9
871	E	25.8	Very low	27.4	Very low	170 Å²	170	126 Å²	126	79%	0.794	77%	0.768	S	S	*	*			trans	69.1	156.6	167	-85.9	152.7	-149.4	0	0	118.5
872	G	26.3	Very low	27.5	Very low	67 Å²	67	128 Å²	128	69%	0.691	78%	0.778	S	S	*	*			cis	-158.3	-179.7	3.5	0	0	0	0	0	114.1
873	Q	27.4	Very low	27.5	Very low	183 Å²	183	133.3 Å²	133.3	86%	0.855	78%	0.78	S	S	*	*			trans	-84.3	-179.2	179	-57.6	172.2	20.1	0	0	110.3
874	I	27.2	Very low	27.5	Very low	143 Å²	143	131.9 Å²	131.9	73%	0.733	78%	0.776	S	S	*	*			cis	-163.9	164.9	29.1	-8.3	176	0	0	0	111.5
875	S	27.5	Very low	27.5	Very low	93 Å²	93	133.5 Å²	133.5	65%	0.65	78%	0.776	S	S	*	*			trans	70.4	143.3	146.1	-76.1	0	0	0	0	121.2
876	E	27.3	Very low	27.5	Very low	156 Å²	156	134.8 Å²	134.8	73%	0.729	77%	0.773	S	S	*	*			cis	-163.4	-168.6	-14.1	-134.7	-167.1	121.4	0	0	113.1
877	A	26.1	Very low	27.6	Very low	83 Å²	83	134.3 Å²	134.3	69%	0.686	77%	0.769	S	S	*	*			trans	91.3	68.8	156.7	0	0	0	0	0	121.5
878	R	26.9	Very low	27.6	Very low	235 Å²	235	136.1 Å²	136.1	89%	0.887	77%	0.773	S	S	*	*				46.5	122.7	123.7	-59.8	173.1	-179.9	-122.7	-1.3	121.1
879	G	25.2	Very low	27.9	Very low	77 Å²	77	138 Å²	138	79%	0.794	78%	0.781	S	S	*	*			trans	-169.8	95.3	159.3	0	0	0	0	0	116
880	S	28.6	Very low	27.9	Very low	121 Å²	121	141.2 Å²	141.2	85%	0.846	79%	0.787	S	S	*	*			trans	-178.5	165.9	174	-85.8	0	0	0	0	110
881	P	51.3	Low	27.9	Very low	122 Å²	122	137.4 Å²	137.4	79%	0.792	79%	0.786	S	S	*	*			cis	-132.8	165.3	-3.1	40.6	-25.5	0	0	0	115.7
882	A	25.7	Very low	27.8	Very low	101 Å²	101	137 Å²	137	84%	0.835	79%	0.789	S	S	*	*			trans	-177.6	149.9	155.8	0	0	0	0	0	111
883	R	27.6	Very low	27.9	Very low	239 Å²	239	138 Å²	138	90%	0.902	79%	0.785	S	S	*	*			cis	-166.8	168.3	-26.9	-148	178.3	-176.1	-163.6	0.7	108.4
884	S	26.1	Very low	27.9	Very low	110 Å²	110	137.8 Å²	137.8	77%	0.769	78%	0.781	S	S	*	*			trans	77.3	107.2	178.2	-152.7	0	0	0	0	114.7
885	C	26.5	Very low	27.9	Very low	98 Å²	98	138.4 Å²	138.4	66%	0.662	79%	0.786	S	S	*	*			cis	101.2	103.7	14.9	-52.9	0	0	0	0	117
886	F	24.5	Very low	27.8	Very low	208 Å²	208	138 Å²	138	91%	0.912	80%	0.798	S	S	*	*			trans	44.4	127.5	136.2	-70.5	-81	0	0	0	123.4
887	G	26.8	Very low	27.7	Very low	72 Å²	72	136.2 Å²	136.2	74%	0.742	80%	0.802	S	S	*	*			trans	168.8	146.5	138.7	0	0	0	0	0	114
888	L	27.7	Very low	28.8	Very low	173 Å²	173	136.7 Å²	136.7	91%	0.906	80%	0.798	S	S	*	*			cis	-159.5	166.1	-26.8	-140	135.6	0	0	0	109.5
889	V	28.6	Very low	28.7	Very low	124 Å²	124	136.2 Å²	136.2	75%	0.752	80%	0.796	S	S	*	*			trans	-96.1	143.4	-163.9	174	0	0	0	0	115.6
890	R	25.4	Very low	28.9	Very low	251 Å²	251	140.5 Å²	140.5	95%	0.947	79%	0.793	S	S	*	*			trans	-144.9	146	139.4	-67.2	-169.6	-177	-157.4	2	107.9
891	G	27.3	Very low	28.8	Very low	60 Å²	60	139.2 Å²	139.2	62%	0.619	78%	0.78	S	S	*	*			cis	162.2	149.4	-7.8	0	0	0	0	0	110.9
892	D	24.4	Very low	27.7	Very low	161 Å²	161	140.1 Å²	140.1	86%	0.861	77%	0.774	S	S	*	*			trans	63.3	157.7	170.2	-80.4	-51	0	0	0	118.5
893	S	27.9	Very low	27.7	Very low	87 Å²	87	143.1 Å²	143.1	61%	0.608	77%	0.77	S	S	*	*			cis	-168.8	154	-30.2	-119	0	0	0	0	112.5
894	K	27.6	Very low	27.7	Very low	179 Å²	179	135 Å²	135	78%	0.778	76%	0.761	S	S	*	*			trans	72.7	131.4	148.4	-69.5	177.8	-178.7	178.5	0	124.1
895	D	26.2	Very low	27.9	Very low	156 Å²	156	134.4 Å²	134.4	83%	0.834	76%	0.757	S	S	*	*			trans	49.4	130.3	130.5	-54.2	-44.7	0	0	0	122.7
896	G	25.2	Very low	28	Very low	86 Å²	86	138.2 Å²	138.2	89%	0.887	76%	0.764	S	S	*	*			trans	175.4	47.5	173.8	0	0	0	0	0	118
897	S	26	Very low	28.1	Very low	117 Å²	117	133.2 Å²	133.2	82%	0.818	76%	0.756	S	S	*	*			trans	-86.9	172.4	167.2	-136.3	0	0	0	0	110.6
898	P	48.8	Very low	28.1	Very low	93 Å²	93	135.8 Å²	135.8	60%	0.604	76%	0.756	S	S	*	*			cis	-141.3	-173.7	-0.8	43.1	-25.6	0	0	0	115.7
899	R	26.4	Very low	28.1	Very low	226 Å²	226	131 Å²	131	85%	0.853	75%	0.749	S	S	*	*			trans	70.2	163.7	150.7	-82.1	169	177.5	-175.2	-1.5	116.3
900	K	29	Very low	28.2	Very low	167 Å²	167	134.1 Å²	134.1	73%	0.726	75%	0.753	S	S	*	*			cis	-152.2	145.7	12	-140.1	-168.1	172.9	-171.7	0	110.9
901	T	25.5	Very low	28.3	Very low	93 Å²	93	128.9 Å²	128.9	57%	0.571	74%	0.743	S	S	*	*			trans	38.6	140.7	136.9	57.4	0	0	0	0	121.7
902	Q	27.7	Very low	28.2	Very low	142 Å²	142	130.8 Å²	130.8	66%	0.664	75%	0.746	S	S	*	*			cis	-169.1	163	8.1	-120.8	163.6	-47.2	0	0	114.8
903	H	27.1	Very low	28.4	Very low	164 Å²	164	130.5 Å²	130.5	76%	0.759	74%	0.744	S	S	*	*			trans	35.7	150.2	146.1	-60.7	-34.3	0	0	0	124.3
904	G	27.6	Very low	28.3	Very low	68 Å²	68	132.9 Å²	132.9	70%	0.701	75%	0.75	S	S	*	*			trans	130.2	62.5	166.2	0	0	0	0	0	112
905	S	30.3	Very low	28.2	Very low	98 Å²	98	133.5 Å²	133.5	69%	0.685	76%	0.755	S	S	*	*				55.3	124.8	53.6	-54.5	0	0	0	0	112.4
906	Q	27.4	Very low	28.3	Very low	177 Å²	177	133.3 Å²	133.3	83%	0.827	75%	0.749	S	S	*	*			cis	-168.8	-173.7	-8.2	-136.3	175.5	9.3	0	0	108.8
907	S	28.5	Very low	28.4	Very low	104 Å²	104	139 Å²	139	73%	0.727	74%	0.744	S	S	*	*			trans	58	129	157.6	45.9	0	0	0	0	119.6
908	V	26.7	Very low	28.4	Very low	125 Å²	125	141.3 Å²	141.3	76%	0.758	74%	0.742	S	S	*	*			cis	93.6	114.8	34.4	173.8	0	0	0	0	114.2
909	G	27.5	Very low	27.5	Very low	73 Å²	73	141.2 Å²	141.2	75%	0.753	75%	0.749	S	S	*	*			trans	82.5	171.1	158.1	0	0	0	0	0	116.4
910	K	29.3	Very low	28.6	Very low	190 Å²	190	136.4 Å²	136.4	83%	0.826	75%	0.747	S	S	*	*			cis	-164.1	142.3	-16.8	-144.9	-164.8	179.8	-163.7	0	109.7
911	L	27.6	Very low	28.8	Very low	141 Å²	141	135.8 Å²	135.8	74%	0.738	75%	0.752	S	S	*	*			trans	36.2	121	147.5	-73.7	173.6	0	0	0	122.1
912	S	25.6	Very low	30.1	Very low	99 Å²	99	137.4 Å²	137.4	69%	0.692	76%	0.764	S	S	*	*				94.7	128.8	112.6	-161	0	0	0	0	122.9
913	L	27.9	Very low	30	Very low	156 Å²	156	134 Å²	134	82%	0.817	77%	0.766	S	S	*	*			trans	68.7	149.6	148.1	-106.7	68.5	0	0	0	124
914	D	27.1	Very low	30	Very low	136 Å²	136	131.8 Å²	131.8	73%	0.727	77%	0.77	S	S	*	*			trans	-65.7	160.7	-178.4	-53.5	-110.4	0	0	0	116.2
915	E	25.7	Very low	30.2	Very low	192 Å²	192	133.5 Å²	133.5	90%	0.897	77%	0.767	S	S	*	*				-157.6	-167.5	109	-129.9	-159.9	95.1	0	0	113.2
916	H	28.4	Very low	30.3	Very low	152 Å²	152	137.4 Å²	137.4	70%	0.704	77%	0.774	S	S	*	*			trans	-107.1	165.8	-154.3	-102.2	53.6	0	0	0	117.3
917	R	27.4	Very low	32	Very low	205 Å²	205	134.2 Å²	134.2	77%	0.774	77%	0.768	S	S	*	*			trans	90.7	125	140.4	-93.7	178	175.1	-162.5	3.2	124.3
918	Q	24.9	Very low	33.7	Very low	166 Å²	166	135.3 Å²	135.3	78%	0.776	77%	0.773	S	S	*	*			trans	78.3	145.5	135.3	-82	169.9	-55.8	0	0	122.3
919	A	31	Very low	34	Very low	91 Å²	91	133.1 Å²	133.1	75%	0.752	78%	0.776	S	S	*	*			trans	-109.9	176.2	-179.9	0	0	0	0	0	111.6
920	P	47.7	Very low	34.4	Very low	126 Å²	126	138.3 Å²	138.3	82%	0.818	79%	0.786	S	S	*	*				-151.7	-177	91.3	39.2	-19.4	0	0	0	117.9
921	D	33.8	Very low	34.6	Very low	154 Å²	154	132.5 Å²	132.5	82%	0.824	78%	0.78	S	S	*	*			trans	-47.4	174.7	172.2	-81.5	-54.7	0	0	0	118.4
922	P	53	Low	34.6	Very low	127 Å²	127	129.6 Å²	129.6	83%	0.825	79%	0.785	S	S	*	*			cis	-160.4	178.3	40.2	45.5	-22.5	0	0	0	123.3
923	G	25.4	Very low	35.4	Very low	69 Å²	69	131.8 Å²	131.8	71%	0.711	79%	0.794	S	S	*	*			trans	80.4	-177	148.7	0	0	0	0	0	119.7
924	S	27.8	Very low	35.6	Very low	119 Å²	119	134 Å²	134	83%	0.832	80%	0.8	S	S	*	*			cis	176	162.3	-30.5	-96.6	0	0	0	0	111.5
925	T	31.2	Very low	35.6	Very low	104 Å²	104	136.6 Å²	136.6	64%	0.638	81%	0.805	S	S	*	*			cis	-171.4	113.4	-29.2	-71.2	0	0	0	0	110.9
926	E	31.9	Very low	36.6	Very low	180 Å²	180	132.4 Å²	132.4	84%	0.841	79%	0.794	S	S	*	*			trans	49.8	-157.6	159.3	-49.4	-177	123.4	0	0	119.5
927	P	64.1	Low	36.9	Very low	109 Å²	109	133.6 Å²	133.6	71%	0.708	80%	0.797	S	S	*	*			cis	-134.9	-146.3	-22.7	43.4	-24.1	0	0	0	112.4
928	P	64.5	Low	37	Very low	128 Å²	128	129.8 Å²	129.8	83%	0.831	79%	0.792	S	S	*	*			cis	-127.6	179.6	-34.9	32.7	-13.7	0	0	0	115.2
929	G	32.9	Very low	37	Very low	79 Å²	79	131.8 Å²	131.8	81%	0.814	80%	0.798	S	S	*	*			trans	-176.1	119.3	162.1	0	0	0	0	0	116.7
930	D	35.9	Very low	37.3	Very low	181 Å²	181	131.6 Å²	131.6	97%	0.968	80%	0.797	S	S	*	*			trans	-65	165.1	179.2	-123.9	-11.5	0	0	0	114.1
931	G	32.1	Very low	37.9	Very low	68 Å²	68	131.2 Å²	131.2	70%	0.701	79%	0.794	S	S	*	*			cis	153.8	143.6	-1.3	0	0	0	0	0	112.1
932	G	29.2	Very low	37.4	Very low	80 Å²	80	131 Å²	131	83%	0.825	80%	0.798	S	S	*	*			trans	144.4	96.2	168.6	0	0	0	0	0	120.2
933	V	40.7	Very low	36.3	Very low	146 Å²	146	129.2 Å²	129.2	89%	0.885	79%	0.794	S	S	*	*			trans	2.4	120.3	156.3	-173.3	0	0	0	0	120.2
934	Q	32.8	Very low	36.4	Very low	201 Å²	201	128.7 Å²	128.7	94%	0.939	79%	0.789	S	S	*	*			trans	-156.7	-166.2	142.8	-124.3	-178.8	70.4	0	0	115.4
935	K	27.1	Very low	36.7	Very low	192 Å²	192	130.4 Å²	130.4	84%	0.835	79%	0.789	S	S	*	*			trans	-110.6	-156.6	-154.1	-143.5	-166.4	176.5	-179.1	0	112.6
936	P	46.6	Very low	36.6	Very low	103 Å²	103	131.8 Å²	131.8	67%	0.669	79%	0.792	S	S	*	*				-126.6	179.1	-123.4	47.2	-30.5	0	0	0	116.4
937	K	35.4	Very low	37	Very low	178 Å²	178	130.2 Å²	130.2	77%	0.774	79%	0.789	S	S	*	*			trans	25.6	146.5	142.1	-105.3	-171	167.1	-153.3	0	123.5
938	D	29.1	Very low	35.4	Very low	124 Å²	124	129.9 Å²	129.9	66%	0.663	79%	0.789	S	S	*	*			trans	90.5	141.1	145.1	-60.4	-23.9	0	0	0	120.6
939	K	24.9	Very low	33.7	Very low	209 Å²	209	127.8 Å²	127.8	91%	0.909	78%	0.783	S	S	*	*			trans	74.5	154.1	162.7	-63.8	-178.7	178.4	179.6	0	120.7
940	A	37.4	Very low	33.4	Very low	87 Å²	87	129.4 Å²	129.4	72%	0.719	78%	0.781	S	S	*	*			trans	-93.4	-137.7	153	0	0	0	0	0	108.3
941	P	59.5	Low	33	Very low	117 Å²	117	125.9 Å²	125.9	76%	0.76	77%	0.771	S	S	*	*				-108	172.7	-64.8	39.5	-29.8	0	0	0	112
942	T	24.7	Very low	32.8	Very low	149 Å²	149	128 Å²	128	91%	0.914	78%	0.775	S	S	*	*			trans	-166.2	154.3	165.5	15.6	0	0	0	0	109.5
943	A	28.2	Very low	32.8	Very low	90 Å²	90	129.8 Å²	129.8	74%	0.744	78%	0.775	S	S	*	*			cis	-137.6	172.7	-9.6	0	0	0	0	0	107.3
944	G	29.2	Very low	32.2	Very low	58 Å²	58	128 Å²	128	60%	0.598	77%	0.769	S	S	*	*				73.1	115.5	50.7	0	0	0	0	0	109.6
945	D	33.6	Very low	32.2	Very low	156 Å²	156	123.4 Å²	123.4	83%	0.834	76%	0.759	S	S	*	*			cis	-134.9	-168	8.2	-58.6	-55.9	0	0	0	109.3
946	D	29.2	Very low	32.3	Very low	132 Å²	132	120.1 Å²	120.1	71%	0.706	76%	0.755	S	S	*	*			cis	-166.5	153.3	23.3	-143	1.9	0	0	0	111.8
947	L	39.7	Very low	31.7	Very low	148 Å²	148	123 Å²	123	78%	0.775	76%	0.76	S	S	*	*			trans	47.6	148.3	147.7	-68.9	168.7	0	0	0	122.9
948	S	30.6	Very low	31.8	Very low	101 Å²	101	121.4 Å²	121.4	71%	0.706	76%	0.758	S	S	*	*			cis	-169.6	162.9	2	47.9	0	0	0	0	115
949	A	29.2	Very low	32.1	Very low	85 Å²	85	120.3 Å²	120.3	70%	0.702	76%	0.76	S	S	*	*			trans	75.2	109.7	139.4	0	0	0	0	0	123.8
950	S	26.4	Very low	32.2	Very low	112 Å²	112	113.6 Å²	113.6	78%	0.783	75%	0.75	S	S	*	*				87	124.3	117.7	-60.5	0	0	0	0	124.4
951	S	27.9	Very low	32	Very low	107 Å²	107	116.2 Å²	116.2	75%	0.748	75%	0.751	S	S	*	*			trans	88	107.6	132.5	-62.9	0	0	0	0	123.9
952	S	27.1	Very low	30.6	Very low	112 Å²	112	118 Å²	118	78%	0.783	75%	0.753	S	S	*	*				85.5	84	118.2	-55.5	0	0	0	0	123.7
953	S	28.8	Very low	30.9	Very low	118 Å²	118	115.5 Å²	115.5	83%	0.825	74%	0.742	S	S	*	*				61	112.7	114.5	-161.2	0	0	0	0	123.8
954	S	29.2	Very low	30.8	Very low	110 Å²	110	115.8 Å²	115.8	77%	0.769	74%	0.744	S	S	*	*				-170.6	122.2	119.5	32.8	0	0	0	0	109
955	S	32.6	Very low	30.8	Very low	103 Å²	103	119.7 Å²	119.7	72%	0.72	76%	0.757	S	S	*	*				60.5	132.4	94.4	-147.5	0	0	0	0	113.6
956	V	30.2	Very low	30.5	Very low	123 Å²	123	123 Å²	123	75%	0.745	76%	0.758	S	S	*	*			cis	-147	160.2	20.1	-133.8	0	0	0	0	107.4
957	E	33.7	Very low	30.4	Very low	165 Å²	165	123 Å²	123	77%	0.771	76%	0.762	S	S	*	*			cis	70.8	138.7	28.8	-82.1	-176	101.4	0	0	115.3
958	I	36.8	Very low	29.8	Very low	143 Å²	143	121.8 Å²	121.8	73%	0.733	77%	0.766	S	S	*	*			cis	-159.3	167.9	3.3	-149.9	-178.7	0	0	0	107.5
959	S	35.3	Very low	29.6	Very low	102 Å²	102	120.1 Å²	120.1	71%	0.713	77%	0.765	S	S	*	*			cis	-130.1	-152.9	2.6	-56.4	0	0	0	0	109.3
960	G	26.3	Very low	29.5	Very low	67 Å²	67	123.3 Å²	123.3	69%	0.691	78%	0.775	S	S	*	*			cis	-166	-168.9	3.4	0	0	0	0	0	109.4
961	L	34.7	Very low	29.7	Very low	143 Å²	143	122.1 Å²	122.1	75%	0.749	77%	0.767	S	S	*	*			cis	123.7	118.1	-0.4	-74.1	173.6	0	0	0	110.8
962	L	29	Very low	29.7	Very low	153 Å²	153	125.9 Å²	125.9	80%	0.801	77%	0.772	S	S	*	*			cis	-152.1	-176.8	8.2	-74.6	119.6	0	0	0	110.6
963	S	30.6	Very low	29.6	Very low	97 Å²	97	126.6 Å²	126.6	68%	0.678	77%	0.772	S	S	*	*				-177.3	157.8	-50.4	-77.6	0	0	0	0	111.1
964	A	27.6	Very low	30.4	Very low	96 Å²	96	126.2 Å²	126.2	79%	0.793	77%	0.767	S	S	*	*			trans	72	158.4	170.4	0	0	0	0	0	117
965	T	27.7	Very low	30.3	Very low	141 Å²	141	127 Å²	127	87%	0.865	77%	0.766	S	S	*	*			cis	-139.7	-169.4	21.2	-47.6	0	0	0	0	112.9
966	R	27.1	Very low	30	Very low	226 Å²	226	129 Å²	129	85%	0.853	77%	0.768	S	S	*	*			trans	-117.8	-179.9	-162.9	-61.7	177.6	168.2	-176.8	-3.7	115.2
967	V	27.8	Very low	29.7	Very low	130 Å²	130	129 Å²	129	79%	0.788	77%	0.774	S	S	*	*			trans	87.8	135.1	150.8	-60.3	0	0	0	0	121.8
968	S	27.5	Very low	29.6	Very low	123 Å²	123	125 Å²	125	86%	0.86	76%	0.764	S	S	*	*			trans	49.7	143.6	152	-54.7	0	0	0	0	120.3
969	G	26.8	Very low	29.2	Very low	67 Å²	67	125.1 Å²	125.1	69%	0.691	77%	0.766	S	S	*	*			cis	121.3	125.5	8.1	0	0	0	0	0	111.8
970	V	27.5	Very low	28.9	Very low	151 Å²	151	128.9 Å²	128.9	92%	0.915	77%	0.773	S	S	*	*			trans	82.7	146.5	178	-171.5	0	0	0	0	116
971	S	30.5	Very low	29.1	Very low	88 Å²	88	130.8 Å²	130.8	62%	0.615	78%	0.775	S	S	*	*			trans	-75.7	158.8	-170.1	52.2	0	0	0	0	115.9
972	H	27	Very low	28.9	Very low	186 Å²	186	131 Å²	131	86%	0.861	78%	0.776	S	S	*	*				-165.9	149.8	118	-95	-67.1	0	0	0	111.8
973	T	25.8	Very low	29.1	Very low	126 Å²	126	130 Å²	130	77%	0.773	77%	0.772	S	S	*	*			trans	-113.3	175.2	165.4	51.3	0	0	0	0	108.5
974	P	44	Very low	29	Very low	110 Å²	110	133.3 Å²	133.3	71%	0.714	78%	0.779	S	S	*	*			cis	-129.2	-155.1	-12	22.3	4.2	0	0	0	112
975	V	27.5	Very low	29.3	Very low	126 Å²	126	135 Å²	135	76%	0.764	77%	0.773	S	S	*	*			trans	82.5	133.8	156	-176.7	0	0	0	0	118
976	L	26.3	Very low	29.4	Very low	145 Å²	145	135.1 Å²	135.1	76%	0.759	77%	0.768	S	S	*	*			cis	-162.6	144.6	-27.9	-102.9	-173	0	0	0	107.2
977	S	24.2	Very low	29.5	Very low	123 Å²	123	132.3 Å²	132.3	86%	0.86	77%	0.77	S	S	*	*			trans	-164.7	105.4	143.3	-167.2	0	0	0	0	109.4
978	S	30.9	Very low	29.7	Very low	81 Å²	81	134.1 Å²	134.1	57%	0.566	77%	0.77	S	S	*	*			trans	-88.9	-169.9	169.4	-43.2	0	0	0	0	109
979	D	28.4	Very low	29.8	Very low	146 Å²	146	136 Å²	136	78%	0.781	77%	0.769	S	S	*	*			cis	-159.1	-173	12	-138.2	-36.2	0	0	0	113.3
980	E	30.1	Very low	30	Very low	182 Å²	182	140.9 Å²	140.9	85%	0.85	78%	0.778	S	S	*	*			trans	79.4	120	170.8	-62	-165.2	101.3	0	0	116.8
981	S	30.1	Very low	30	Very low	106 Å²	106	140.3 Å²	140.3	74%	0.741	77%	0.77	S	S	*	*			cis	-155.8	138.1	-4.4	57.7	0	0	0	0	113.5
982	L	31.6	Very low	29.9	Very low	147 Å²	147	143.8 Å²	143.8	77%	0.77	78%	0.777	S	S	*	*			trans	-144.4	166.3	161.3	-155.1	75.9	0	0	0	108.3
983	D	31.6	Very low	30	Very low	133 Å²	133	138.9 Å²	138.9	71%	0.711	77%	0.768	S	S	*	*			trans	68.9	156	169.4	-50	-39	0	0	0	114.5
984	M	29.6	Very low	30.3	Very low	166 Å²	166	141.9 Å²	141.9	82%	0.818	77%	0.773	S	S	*	*				-160.7	154	52	-86.3	176.6	64.8	0	0	110.7
985	I	33.5	Very low	29.4	Very low	133 Å²	133	140.8 Å²	140.8	68%	0.682	77%	0.768	S	S	*	*			cis	-162.7	176.6	-12.7	-148	165.8	0	0	0	110.1
986	D	29.9	Very low	29.5	Very low	143 Å²	143	142.1 Å²	142.1	77%	0.765	77%	0.77	S	S	*	*			trans	-70.6	157.3	171.6	-60.7	-84.3	0	0	0	114.8
987	D	29.4	Very low	30.1	Very low	166 Å²	166	143.8 Å²	143.8	89%	0.888	77%	0.771	S	S	*	*			trans	-163.4	145.4	141.1	-99.6	-34.5	0	0	0	106.7
988	E	31.9	Very low	30.5	Very low	169 Å²	169	146 Å²	146	79%	0.79	77%	0.768	S	S	*	*			cis	-150.5	142.7	12.8	171.6	-173	-139.5	0	0	108.3
989	I	29.3	Very low	31.1	Very low	162 Å²	162	146.4 Å²	146.4	83%	0.831	76%	0.761	S	S	*	*			trans	-172.2	101.7	148.3	-94.7	148	0	0	0	107.9
990	L	30.3	Very low	31.5	Very low	170 Å²	170	147.8 Å²	147.8	89%	0.89	76%	0.762	S	S	*	*			trans	-142	51.7	166.3	-162.2	83.4	0	0	0	112
991	D	27.2	Very low	32.6	Very low	139 Å²	139	141 Å²	141	74%	0.743	73%	0.729	S	S	*	*			trans	-150.9	150.6	155	-113.7	-28.3	0	0	0	107.4	A993	D991-A993 PolarHBondContact OD1-N 2.97Å
992	E	28.4	Very low	33.8	Very low	161 Å²	161	142.1 Å²	142.1	75%	0.752	72%	0.723	S	S	*	*			cis	-104.9	127.5	13.5	-58.2	170.5	101.8	0	0	113.6
993	A	30.8	Very low	34.5	Very low	82 Å²	82	140 Å²	140	68%	0.678	72%	0.72	S	S	*	*			trans	-97.9	28.2	168.1	0	0	0	0	0	114.2	D991	D991-A993 PolarHBondContact OD1-N 2.97Å
994	Q	31.9	Very low	35.9	Very low	189 Å²	189	141.9 Å²	141.9	88%	0.883	72%	0.717	S	S	*	*			trans	-168.4	84.3	168.9	-113.8	150.5	100.7	0	0	117.2
995	S	24.6	Very low	37.8	Very low	87 Å²	87	136.9 Å²	136.9	61%	0.608	70%	0.698	S	S	*	*	S	Bend	trans	-144.3	116.3	147.4	71.9	0	0	0	0	114.6
996	L	30.3	Very low	39.6	Very low	154 Å²	154	131.2 Å²	131.2	81%	0.806	67%	0.669	S	S	*	*			trans	40.3	85.8	160.8	-77.3	65.8	0	0	0	120.1	Q998	L996-Q998 PolarHBondContact O-N 2.83Å
997	K	37.2	Very low	41.8	Very low	181 Å²	181	127.5 Å²	127.5	79%	0.787	65%	0.652	S	S	*	*			trans	52.3	54.5	131.5	-59.1	179.9	178.9	175.6	0	118.6	H999	K997-H999 PolarHBondContact O-CD2 3.45Å; K997-H999 PolarHBondContact O-N 2.91Å
998	Q	34.3	Very low	44.1	Very low	168 Å²	168	123.8 Å²	123.8	79%	0.785	63%	0.632	S	S	*	*			trans	-74.9	68.6	161.7	-75.9	-152.4	14.1	0	0	113.8	L996	L996-Q998 PolarHBondContact O-N 2.83Å
999	H	41.9	Very low	46.6	Very low	90 Å²	90	116.2 Å²	116.2	42%	0.417	60%	0.596	S	S	.	*			trans	24.1	109.9	131.8	-76.8	-44	0	0	0	119.6	K997 W1001	K997-H999 PolarHBondContact O-CD2 3.45Å; K997-H999 PolarHBondContact O-N 2.91Å; H999-W1001 HydrophobicContact CB-CD2 3.97Å; H999-W1001 HydrophobicContact CB-CE3 3.87Å; H999-W1001 HydrophobicContact CB-CH2 3.35Å; H999-W1001 HydrophobicContact CB-CZ2 3.4Å; H999-W1001 HydrophobicContact CB-CZ3 3.55Å; H999-W1001 AromaticContact CD2-CH2 3.72Å; H999-W1001 AromaticContact CD2-CZ2 3.85Å; H999-W1001 AromaticContact CE1-CH2 3.72Å; H999-W1001 AromaticContact CG-CH2 3.14Å; H999-W1001 AromaticContact CG-CZ2 3.51Å; H999-W1001 AromaticContact CG-CZ3 3.65Å; H999-W1001 AromaticContact ND1-CH2 3.17Å; H999-W1001 WeakPolarHBondContact ND1-CH2 3.39Å; H999-W1001 AromaticContact ND1-CZ3 3.45Å; H999-W1001 WeakPolarHBondContact ND1-CZ3 3.37Å; H999-W1001 PolarHBondContact O-N 3.33Å
1000	H	36.6	Very low	49.1	Very low	176 Å²	176	112 Å²	112	82%	0.815	58%	0.578	S	S	*	*	S	Bend	trans	-78	52.2	-166.3	-169.7	85	0	0	0	116.1
1001	W	54.4	Low	51.4	Low	38 Å²	38	104.9 Å²	104.9	14%	0.144	54%	0.542	C	S	.	.			trans	-114.3	0.8	176.7	33.8	99.5	0	0	0	116.2	H999 S1003 W1009 R1016 W1017	H999-W1001 HydrophobicContact CB-CD2 3.97Å; H999-W1001 HydrophobicContact CB-CE3 3.87Å; H999-W1001 HydrophobicContact CB-CH2 3.35Å; H999-W1001 HydrophobicContact CB-CZ2 3.4Å; H999-W1001 HydrophobicContact CB-CZ3 3.55Å; H999-W1001 AromaticContact CD2-CH2 3.72Å; H999-W1001 AromaticContact CD2-CZ2 3.85Å; H999-W1001 AromaticContact CE1-CH2 3.72Å; H999-W1001 AromaticContact CG-CH2 3.14Å; H999-W1001 AromaticContact CG-CZ2 3.51Å; H999-W1001 AromaticContact CG-CZ3 3.65Å; H999-W1001 AromaticContact ND1-CH2 3.17Å; H999-W1001 WeakPolarHBondContact ND1-CH2 3.39Å; H999-W1001 AromaticContact ND1-CZ3 3.45Å; H999-W1001 WeakPolarHBondContact ND1-CZ3 3.37Å; H999-W1001 PolarHBondContact O-N 3.33Å; W1001-S1003 VanDerWaalsContact C-N 3.33Å; W1001-S1003 PolarHBondContact O-N 2.95Å; W1001-W1009 HydrophobicContact CB-CZ2 4.28Å; W1001-W1009 AromaticContact CD1-CH2 3.91Å; W1001-R1016 HydrophobicContact CE3-CB 4.01Å; W1001-R1016 HydrophobicContact CH2-CB 3.79Å; W1001-R1016 WeakPolarHBondContact CH2-O 3.33Å; W1001-R1016 HydrophobicContact CZ2-CB 4.42Å; W1001-R1016 WeakPolarHBondContact CZ2-O 3.43Å; W1001-R1016 HydrophobicContact CZ3-CB 3.6Å; W1001-R1016 HydrophobicContact CZ3-CG 4.35Å; W1001-W1017 AromaticContact NE1-CD1 3.88Å
1002	Q	54.1	Low	54	Low	131 Å²	131	104 Å²	104	61%	0.612	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-5.5	-171.2	-54.9	-177.1	22.7	0	0	114.5
1003	S	47.9	Very low	56.4	Low	102 Å²	102	98.2 Å²	98.2	71%	0.713	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	8.6	-170.6	-46.7	0	0	0	0	115.6	W1001	W1001-S1003 VanDerWaalsContact C-N 3.33Å; W1001-S1003 PolarHBondContact O-N 2.95Å
1004	R	59.8	Low	58.8	Low	173 Å²	173	94.4 Å²	94.4	65%	0.653	48%	0.475	S	S	*	.	S	Bend	trans	-140.6	150.3	174.8	-70.8	-174.2	177.7	-116.4	-1.5	110.5	W1009	R1004-W1009 PolarHBondContact O-NE1 2.62Å
1005	S	69	Low	61.2	Low	60 Å²	60	86 Å²	86	42%	0.42	44%	0.439	S	S	.	.			trans	-52.2	141	172.4	26.2	0	0	0	0	111.2	T1007 D1008	S1005-T1007 VanDerWaalsContact C-N 3.26Å; S1005-T1007 PolarHBondContact O-N 3.41Å; S1005-D1008 VanDerWaalsContact CB-OD1 3.28Å; S1005-D1008 WeakPolarHBondContact CB-OD1 3.35Å; S1005-D1008 WeakPolarHBondContact O-CB 3.45Å; S1005-D1008 PolarHBondContact O-N 2.98Å; S1005-D1008 PolarHBondContact OG-OD1 2.94Å; S1005-D1008 PolarHBondContact OG-OD2 2.99Å
1006	I	72.9	Confident	63.8	Low	14 Å²	14	87.7 Å²	87.7	7%	0.072	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-69.7	-27.6	-172.3	-65	148.6	0	0	0	111.2	D1008 W1009 G1037 L1041 L1069 M1073	I1006-D1008 PolarHBondContact O-N 3.01Å; I1006-W1009 HydrophobicContact CG1-CD2 4.49Å; I1006-W1009 HydrophobicContact CG1-CH2 4.25Å; I1006-W1009 HydrophobicContact CG1-CZ2 3.75Å; I1006-W1009 HydrophobicContact CG2-CD2 4.22Å; I1006-W1009 HydrophobicContact CG2-CE3 4.24Å; I1006-W1009 HydrophobicContact CG2-CZ3 4.47Å; I1006-W1009 WeakPolarHBondContact O-CB 3.47Å; I1006-W1009 PolarHBondContact O-N 2.9Å; I1006-G1037 CarbonylContact O-C 3.59Å; I1006-G1037 VanDerWaalsContact O-CA 3.22Å; I1006-G1037 WeakPolarHBondContact O-CA 3.25Å; I1006-L1041 HydrophobicContact CB-CD1 4.28Å; I1006-L1041 HydrophobicContact CG2-CD1 3.82Å; I1006-L1041 HydrophobicContact CG2-CD2 4.1Å; I1006-L1041 HydrophobicContact CG2-CG 3.98Å; I1006-L1069 HydrophobicContact CD1-CB 4.27Å; I1006-L1069 HydrophobicContact CD1-CD2 3.9Å; I1006-L1069 HydrophobicContact CG1-CD2 4.43Å; I1006-L1069 HydrophobicContact CG2-CD1 4.36Å; I1006-M1073 HydrophobicContact CB-SD 4.35Å; I1006-M1073 HydrophobicContact CD1-CB 3.94Å; I1006-M1073 HydrophobicContact CD1-CG 4.22Å
1007	T	75	Confident	66.4	Low	66 Å²	66	81.1 Å²	81.1	41%	0.405	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-55	-33	167	42.6	0	0	0	0	113.5	S1005 W1009	S1005-T1007 VanDerWaalsContact C-N 3.26Å; S1005-T1007 PolarHBondContact O-N 3.41Å; T1007-W1009 VanDerWaalsContact C-N 3.31Å; T1007-W1009 PolarHBondContact O-N 2.8Å
1008	D	78.8	Confident	68.6	Low	87 Å²	87	72.5 Å²	72.5	47%	0.465	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-91	7	-174.3	-55.3	47.6	0	0	0	112.1	S1005 I1006 T1010	S1005-D1008 VanDerWaalsContact CB-OD1 3.28Å; S1005-D1008 WeakPolarHBondContact CB-OD1 3.35Å; S1005-D1008 WeakPolarHBondContact O-CB 3.45Å; S1005-D1008 PolarHBondContact O-N 2.98Å; S1005-D1008 PolarHBondContact OG-OD1 2.94Å; S1005-D1008 PolarHBondContact OG-OD2 2.99Å; I1006-D1008 PolarHBondContact O-N 3.01Å; D1008-T1010 PolarHBondContact O-N 3.34Å
1009	W	83.6	Confident	70.9	Confident	10 Å²	10	65.6 Å²	65.6	4%	0.038	33%	0.33	C	S	.	.			trans	-75.8	118	179.9	-72.9	13.5	0	0	0	110.7	W1001 R1004 I1006 T1007 Q1013 V1014 W1017 G1037 L1069	W1001-W1009 HydrophobicContact CB-CZ2 4.28Å; W1001-W1009 AromaticContact CD1-CH2 3.91Å; R1004-W1009 PolarHBondContact O-NE1 2.62Å; I1006-W1009 HydrophobicContact CG1-CD2 4.49Å; I1006-W1009 HydrophobicContact CG1-CH2 4.25Å; I1006-W1009 HydrophobicContact CG1-CZ2 3.75Å; I1006-W1009 HydrophobicContact CG2-CD2 4.22Å; I1006-W1009 HydrophobicContact CG2-CE3 4.24Å; I1006-W1009 HydrophobicContact CG2-CZ3 4.47Å; I1006-W1009 WeakPolarHBondContact O-CB 3.47Å; I1006-W1009 PolarHBondContact O-N 2.9Å; T1007-W1009 VanDerWaalsContact C-N 3.31Å; T1007-W1009 PolarHBondContact O-N 2.8Å; W1009-Q1013 HydrophobicContact CB-CB 3.96Å; W1009-Q1013 HydrophobicContact CD2-CB 4.44Å; W1009-Q1013 HydrophobicContact CG-CB 4.12Å; W1009-V1014 HydrophobicContact CB-CG2 4.46Å; W1009-W1017 HydrophobicContact CH2-CB 4.49Å; W1009-W1017 AromaticContact CH2-CD1 3.76Å; W1009-W1017 HydrophobicContact CH2-CG 4.25Å; W1009-W1017 HydrophobicContact CZ3-CB 3.82Å; W1009-W1017 AromaticContact CZ3-CD1 3.64Å; W1009-W1017 HydrophobicContact CZ3-CD2 4.38Å; W1009-W1017 AromaticContact CZ3-CG 3.7Å; W1009-W1017 HydrophobicContact CZ3-CG 3.7Å; W1009-G1037 PolarHBondContact O-N 3.4Å; W1009-L1069 HydrophobicContact CH2-CD1 4.4Å; W1009-L1069 HydrophobicContact CH2-CD2 3.99Å; W1009-L1069 HydrophobicContact CZ3-CD1 4.19Å
1010	T	81.8	Confident	72.6	Confident	73 Å²	73	62.8 Å²	62.8	45%	0.448	33%	0.326	S	S	.	.			trans	-60.3	158.2	166.7	61.1	0	0	0	0	111	D1008 Q1012 Q1013 V1014	D1008-T1010 PolarHBondContact O-N 3.34Å; T1010-Q1012 PolarHBondContact O-N 3.03Å; T1010-Q1012 VanDerWaalsContact O-N 3.11Å; T1010-Q1013 WeakPolarHBondContact O-CA 3.28Å; T1010-Q1013 WeakPolarHBondContact O-CB 3.4Å; T1010-Q1013 PolarHBondContact O-N 3.04Å; T1010-Q1013 PolarHBondContact OG1-N 3.47Å; T1010-Q1013 PolarHBondContact OG1-OE1 3.44Å; T1010-V1014 PolarHBondContact O-N 2.83Å; T1010-V1014 VanDerWaalsContact O-N 3.08Å
1011	S	79.8	Confident	74.8	Confident	21 Å²	21	55.9 Å²	55.9	15%	0.147	30%	0.295	C	S	.	.	H	α-helix	trans	-56.1	-27.9	173.7	52.9	0	0	0	0	113.1	Q1013 V1014 A1015 N1034 V1035	S1011-Q1013 VanDerWaalsContact C-N 3.35Å; S1011-Q1013 PolarHBondContact O-N 3.37Å; S1011-V1014 PolarHBondContact O-N 2.91Å; S1011-A1015 WeakPolarHBondContact O-CB 3.46Å; S1011-A1015 PolarHBondContact O-N 3.17Å; S1011-N1034 WeakPolarHBondContact CB-OD1 3.42Å; S1011-N1034 PolarHBondContact OG-OD1 3.23Å; S1011-V1035 VanDerWaalsContact CA-O 3.31Å; S1011-V1035 WeakPolarHBondContact CA-O 3.41Å; S1011-V1035 WeakPolarHBondContact CB-O 3.41Å
1012	Q	80.1	Confident	75.9	Confident	122 Å²	122	61 Å²	61	57%	0.57	33%	0.325	S	S	*	.	H	α-helix	trans	-70.7	-23.8	171	-58.9	-169.4	-0.5	0	0	114.4	T1010 R1016	T1010-Q1012 PolarHBondContact O-N 3.03Å; T1010-Q1012 VanDerWaalsContact O-N 3.11Å; Q1012-R1016 VanDerWaalsContact CB-NH1 3.33Å; Q1012-R1016 VanDerWaalsContact O-CG 3.26Å; Q1012-R1016 WeakPolarHBondContact O-CG 3.49Å; Q1012-R1016 PolarHBondContact O-N 2.91Å; Q1012-R1016 PolarHBondContact O-NH1 3.41Å
1013	Q	80.5	Confident	77.3	Confident	39 Å²	39	55.4 Å²	55.4	18%	0.182	30%	0.299	C	S	.	.	H	α-helix	trans	-82.1	-37.2	172.6	-72.4	158.3	-83.5	0	0	110.6	W1009 T1010 S1011 R1016 W1017	W1009-Q1013 HydrophobicContact CB-CB 3.96Å; W1009-Q1013 HydrophobicContact CD2-CB 4.44Å; W1009-Q1013 HydrophobicContact CG-CB 4.12Å; T1010-Q1013 WeakPolarHBondContact O-CA 3.28Å; T1010-Q1013 WeakPolarHBondContact O-CB 3.4Å; T1010-Q1013 PolarHBondContact O-N 3.04Å; T1010-Q1013 PolarHBondContact OG1-N 3.47Å; T1010-Q1013 PolarHBondContact OG1-OE1 3.44Å; S1011-Q1013 VanDerWaalsContact C-N 3.35Å; S1011-Q1013 PolarHBondContact O-N 3.37Å; Q1013-R1016 PolarHBondContact O-N 2.93Å; Q1013-W1017 WeakPolarHBondContact O-CB 3.47Å; Q1013-W1017 PolarHBondContact O-N 2.88Å
1014	V	81.2	Confident	78.8	Confident	1 Å²	1	56 Å²	56	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-59	-45.1	168.9	175.9	0	0	0	0	111.1	W1009 T1010 S1011 R1016 W1017 L1018 F1030 L1040	W1009-V1014 HydrophobicContact CB-CG2 4.46Å; T1010-V1014 PolarHBondContact O-N 2.83Å; T1010-V1014 VanDerWaalsContact O-N 3.08Å; S1011-V1014 PolarHBondContact O-N 2.91Å; V1014-R1016 PolarHBondContact O-N 2.96Å; V1014-W1017 PolarHBondContact O-N 3.29Å; V1014-L1018 HydrophobicContact CG1-CD1 4.5Å; V1014-L1018 PolarHBondContact O-N 2.94Å; V1014-F1030 HydrophobicContact CG1-CD1 4.25Å; V1014-L1040 HydrophobicContact CG1-CD1 4.31Å; V1014-L1040 HydrophobicContact CG1-CD2 4.08Å; V1014-L1040 HydrophobicContact CG2-CB 4.39Å; V1014-L1040 HydrophobicContact CG2-CD2 4.05Å
1015	A	80.7	Confident	79.7	Confident	14 Å²	14	55.8 Å²	55.8	12%	0.116	30%	0.296	C	S	.	.	H	α-helix	trans	-58.2	-46.8	174	0	0	0	0	0	112.7	S1011 W1017 L1018 A1019 I1027	S1011-A1015 WeakPolarHBondContact O-CB 3.46Å; S1011-A1015 PolarHBondContact O-N 3.17Å; A1015-W1017 VanDerWaalsContact C-N 3.35Å; A1015-W1017 PolarHBondContact O-N 3.33Å; A1015-L1018 PolarHBondContact O-N 3.45Å; A1015-A1019 PolarHBondContact O-N 2.97Å; A1015-I1027 HydrophobicContact CB-CG2 3.69Å; A1015-I1027 WeakPolarHBondContact O-CD1 3.42Å
1016	R	79.7	Confident	80	Confident	121 Å²	121	53.8 Å²	53.8	46%	0.457	28%	0.28	S	S	.	.	H	α-helix	trans	-63.5	-39.2	176.1	-74.3	175.4	-171.5	102.5	-6.1	112.2	W1001 Q1012 Q1013 V1014 A1019 G1020	W1001-R1016 HydrophobicContact CE3-CB 4.01Å; W1001-R1016 HydrophobicContact CH2-CB 3.79Å; W1001-R1016 WeakPolarHBondContact CH2-O 3.33Å; W1001-R1016 HydrophobicContact CZ2-CB 4.42Å; W1001-R1016 WeakPolarHBondContact CZ2-O 3.43Å; W1001-R1016 HydrophobicContact CZ3-CB 3.6Å; W1001-R1016 HydrophobicContact CZ3-CG 4.35Å; Q1012-R1016 VanDerWaalsContact CB-NH1 3.33Å; Q1012-R1016 VanDerWaalsContact O-CG 3.26Å; Q1012-R1016 WeakPolarHBondContact O-CG 3.49Å; Q1012-R1016 PolarHBondContact O-N 2.91Å; Q1012-R1016 PolarHBondContact O-NH1 3.41Å; Q1013-R1016 PolarHBondContact O-N 2.93Å; V1014-R1016 PolarHBondContact O-N 2.96Å; R1016-A1019 WeakPolarHBondContact O-CB 3.29Å; R1016-A1019 PolarHBondContact O-N 3.26Å; R1016-G1020 PolarHBondContact O-N 3.26Å
1017	W	86.1	Confident	80.4	Confident	16 Å²	16	54.9 Å²	54.9	6%	0.061	29%	0.286	C	S	.	.	H	α-helix	trans	-63.3	-41.4	174.3	174.7	87.8	0	0	0	112.5	W1001 W1009 Q1013 V1014 A1015 A1019 G1020 L1021 L1040 K1065 I1066 L1069	W1001-W1017 AromaticContact NE1-CD1 3.88Å; W1009-W1017 HydrophobicContact CH2-CB 4.49Å; W1009-W1017 AromaticContact CH2-CD1 3.76Å; W1009-W1017 HydrophobicContact CH2-CG 4.25Å; W1009-W1017 HydrophobicContact CZ3-CB 3.82Å; W1009-W1017 AromaticContact CZ3-CD1 3.64Å; W1009-W1017 HydrophobicContact CZ3-CD2 4.38Å; W1009-W1017 AromaticContact CZ3-CG 3.7Å; W1009-W1017 HydrophobicContact CZ3-CG 3.7Å; Q1013-W1017 WeakPolarHBondContact O-CB 3.47Å; Q1013-W1017 PolarHBondContact O-N 2.88Å; V1014-W1017 PolarHBondContact O-N 3.29Å; A1015-W1017 VanDerWaalsContact C-N 3.35Å; A1015-W1017 PolarHBondContact O-N 3.33Å; W1017-A1019 VanDerWaalsContact C-N 3.35Å; W1017-G1020 CarbonylContact O-C 3.59Å; W1017-G1020 PolarHBondContact O-N 3.41Å; W1017-L1021 HydrophobicContact CD2-CD1 3.97Å; W1017-L1021 HydrophobicContact CE3-CD1 4.06Å; W1017-L1021 HydrophobicContact CH2-CD1 3.78Å; W1017-L1021 HydrophobicContact CZ2-CD1 3.67Å; W1017-L1021 HydrophobicContact CZ3-CD1 3.95Å; W1017-L1021 WeakPolarHBondContact O-CG 3.46Å; W1017-L1021 PolarHBondContact O-N 3.45Å; W1017-L1040 HydrophobicContact CD2-CD2 4.4Å; W1017-L1040 HydrophobicContact CE3-CD1 4.47Å; W1017-L1040 HydrophobicContact CE3-CD2 3.96Å; W1017-L1040 HydrophobicContact CH2-CD1 4.23Å; W1017-L1040 HydrophobicContact CH2-CD2 4.3Å; W1017-L1040 HydrophobicContact CZ3-CD1 3.78Å; W1017-L1040 HydrophobicContact CZ3-CD2 3.93Å; W1017-L1040 HydrophobicContact CZ3-CG 4.42Å; W1017-K1065 HydrophobicContact CH2-CB 4.05Å; W1017-K1065 HydrophobicContact CZ2-CB 3.65Å; W1017-I1066 HydrophobicContact CH2-CG1 4.12Å; W1017-L1069 HydrophobicContact CD2-CD1 4.44Å; W1017-L1069 HydrophobicContact CH2-CD1 4.33Å; W1017-L1069 HydrophobicContact CZ2-CD1 3.46Å; W1017-L1069 VanDerWaalsContact CZ2-CD1 3.46Å; W1017-L1069 HydrophobicContact CZ2-CG 4.08Å
1018	L	82.9	Confident	80.5	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-38.2	172.1	-72.8	173	0	0	0	112.2	V1014 A1015 L1021 N1022 L1023 I1027 F1030	V1014-L1018 HydrophobicContact CG1-CD1 4.5Å; V1014-L1018 PolarHBondContact O-N 2.94Å; A1015-L1018 PolarHBondContact O-N 3.45Å; L1018-L1021 CarbonylContact O-C 3.51Å; L1018-L1021 PolarHBondContact O-N 2.97Å; L1018-L1021 VanDerWaalsContact O-N 3.09Å; L1018-N1022 PolarHBondContact O-N 3.47Å; L1018-L1023 HydrophobicContact CB-CB 4.45Å; L1018-L1023 HydrophobicContact CD2-CB 4.23Å; L1018-L1023 HydrophobicContact CD2-CD1 4.1Å; L1018-L1023 PolarHBondContact O-N 3.41Å; L1018-I1027 HydrophobicContact CB-CD1 4.41Å; L1018-I1027 HydrophobicContact CB-CG1 3.86Å; L1018-I1027 HydrophobicContact CD1-CG1 4.38Å; L1018-F1030 HydrophobicContact CD1-CB 3.98Å; L1018-F1030 HydrophobicContact CD1-CD1 3.85Å; L1018-F1030 HydrophobicContact CD1-CD2 3.9Å; L1018-F1030 HydrophobicContact CD1-CE1 4.28Å; L1018-F1030 HydrophobicContact CD1-CE2 4.31Å; L1018-F1030 HydrophobicContact CD1-CG 3.64Å; L1018-F1030 HydrophobicContact CD1-CZ 4.49Å
1019	A	81.5	Confident	80.5	Confident	23 Å²	23	55.1 Å²	55.1	19%	0.19	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-46.1	173.6	0	0	0	0	0	111.7	A1015 R1016 W1017 L1021 N1022 E1024 I1027	A1015-A1019 PolarHBondContact O-N 2.97Å; R1016-A1019 WeakPolarHBondContact O-CB 3.29Å; R1016-A1019 PolarHBondContact O-N 3.26Å; W1017-A1019 VanDerWaalsContact C-N 3.35Å; A1019-L1021 PolarHBondContact O-N 2.7Å; A1019-N1022 PolarHBondContact O-N 2.81Å; A1019-E1024 HydrophobicContact CB-CG 3.85Å; A1019-I1027 HydrophobicContact CB-CD1 3.85Å
1020	G	78.9	Confident	80.4	Confident	32 Å²	32	54.8 Å²	54.8	33%	0.33	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	3	172.7	0	0	0	0	0	115.5	R1016 W1017	R1016-G1020 PolarHBondContact O-N 3.26Å; W1017-G1020 CarbonylContact O-C 3.59Å; W1017-G1020 PolarHBondContact O-N 3.41Å
1021	L	81.6	Confident	80.3	Confident	31 Å²	31	54.5 Å²	54.5	16%	0.162	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	8.9	168.9	-66.4	177.8	0	0	0	112.6	W1017 L1018 A1019 L1023 L1061 K1065	W1017-L1021 HydrophobicContact CD2-CD1 3.97Å; W1017-L1021 HydrophobicContact CE3-CD1 4.06Å; W1017-L1021 HydrophobicContact CH2-CD1 3.78Å; W1017-L1021 HydrophobicContact CZ2-CD1 3.67Å; W1017-L1021 HydrophobicContact CZ3-CD1 3.95Å; W1017-L1021 WeakPolarHBondContact O-CG 3.46Å; W1017-L1021 PolarHBondContact O-N 3.45Å; L1018-L1021 CarbonylContact O-C 3.51Å; L1018-L1021 PolarHBondContact O-N 2.97Å; L1018-L1021 VanDerWaalsContact O-N 3.09Å; A1019-L1021 PolarHBondContact O-N 2.7Å; L1021-L1023 HydrophobicContact CB-CD1 4.09Å; L1021-L1023 HydrophobicContact CB-CG 4.22Å; L1021-L1023 HydrophobicContact CD1-CD1 4.49Å; L1021-L1023 PolarHBondContact O-N 3.49Å; L1021-L1061 HydrophobicContact CB-CD2 4.4Å; L1021-K1065 HydrophobicContact CD1-CB 3.89Å; L1021-K1065 HydrophobicContact CD1-CG 3.88Å; L1021-K1065 HydrophobicContact CD2-CD 3.75Å; L1021-K1065 HydrophobicContact CD2-CG 3.76Å
1022	N	78	Confident	80.2	Confident	144 Å²	144	57.7 Å²	57.7	77%	0.77	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	25.5	-172.5	-66.7	81.4	0	0	0	114	L1018 A1019 E1024	L1018-N1022 PolarHBondContact O-N 3.47Å; A1019-N1022 PolarHBondContact O-N 2.81Å; N1022-E1024 VanDerWaalsContact C-N 3.34Å
1023	L	82.9	Confident	80.1	Confident	14 Å²	14	58.2 Å²	58.2	7%	0.073	31%	0.312	C	S	.	.			trans	-99.5	31.9	178.5	-66.6	173.2	0	0	0	112.1	L1018 L1021 H1025 H1026 D1058 L1061 I1062	L1018-L1023 HydrophobicContact CB-CB 4.45Å; L1018-L1023 HydrophobicContact CD2-CB 4.23Å; L1018-L1023 HydrophobicContact CD2-CD1 4.1Å; L1018-L1023 PolarHBondContact O-N 3.41Å; L1021-L1023 HydrophobicContact CB-CD1 4.09Å; L1021-L1023 HydrophobicContact CB-CG 4.22Å; L1021-L1023 HydrophobicContact CD1-CD1 4.49Å; L1021-L1023 PolarHBondContact O-N 3.49Å; L1023-H1025 PolarHBondContact O-N 3Å; L1023-H1025 VanDerWaalsContact O-N 3.15Å; L1023-H1026 PolarHBondContact O-N 3.23Å; L1023-D1058 HydrophobicContact CD2-CB 3.96Å; L1023-L1061 HydrophobicContact CD1-CD2 3.94Å; L1023-I1062 HydrophobicContact CD1-CD1 3.93Å; L1023-I1062 HydrophobicContact CD1-CG1 3.39Å
1024	E	79.6	Confident	80.1	Confident	115 Å²	115	60.8 Å²	60.8	54%	0.537	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-57.6	-32.4	-172.5	-68.1	-174.8	171.1	0	0	113.5	A1019 N1022 H1026 I1027	A1019-E1024 HydrophobicContact CB-CG 3.85Å; N1022-E1024 VanDerWaalsContact C-N 3.34Å; E1024-H1026 PolarHBondContact O-N 3.07Å; E1024-I1027 HydrophobicContact CB-CD1 4.19Å; E1024-I1027 HydrophobicContact CG-CD1 4.13Å; E1024-I1027 WeakPolarHBondContact O-CB 3.37Å; E1024-I1027 PolarHBondContact O-N 3.46Å; E1024-I1027 VanDerWaalsContact O-N 3.11Å
1025	H	78.3	Confident	80.1	Confident	168 Å²	168	60.8 Å²	60.8	78%	0.778	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-64.1	-21.7	178.5	-53.5	-46.9	0	0	0	114.1	L1023 P1028	L1023-H1025 PolarHBondContact O-N 3Å; L1023-H1025 VanDerWaalsContact O-N 3.15Å; H1025-P1028 WeakPolarHBondContact O-CD 3.43Å
1026	H	77.2	Confident	80.1	Confident	18 Å²	18	62.4 Å²	62.4	8%	0.083	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-92.5	-10.2	177.1	-55.8	-75.6	0	0	0	112.9	L1023 E1024 P1028 E1029 F1030 D1058	L1023-H1026 PolarHBondContact O-N 3.23Å; E1024-H1026 PolarHBondContact O-N 3.07Å; H1026-P1028 VanDerWaalsContact C-CD 3.48Å; H1026-E1029 IonicContact ND1-OE2 3.5Å; H1026-E1029 PolarHBondContact O-N 2.87Å; H1026-E1029 VanDerWaalsContact O-N 3.15Å; H1026-F1030 HydrophobicContact CB-CD2 4.35Å; H1026-F1030 HydrophobicContact CB-CE2 4.37Å; H1026-F1030 WeakPolarHBondContact O-CD2 3.49Å; H1026-F1030 PolarHBondContact O-N 2.96Å; H1026-F1030 VanDerWaalsContact O-N 3.17Å; H1026-D1058 IonicContact CD2-OD2 3.75Å; H1026-D1058 IonicContact CE1-OD2 3.76Å; H1026-D1058 IonicContact NE2-OD2 3.55Å; H1026-D1058 PolarHBondContact NE2-OD2 3.25Å
1027	I	80.5	Confident	80	Confident	37 Å²	37	56.6 Å²	56.6	19%	0.19	31%	0.312	C	S	.	.	H	α-helix	trans	-56.4	-43.2	179.1	-67.3	173.3	0	0	0	112.7	A1015 L1018 A1019 E1024 E1029 F1030 T1031	A1015-I1027 HydrophobicContact CB-CG2 3.69Å; A1015-I1027 WeakPolarHBondContact O-CD1 3.42Å; L1018-I1027 HydrophobicContact CB-CD1 4.41Å; L1018-I1027 HydrophobicContact CB-CG1 3.86Å; L1018-I1027 HydrophobicContact CD1-CG1 4.38Å; A1019-I1027 HydrophobicContact CB-CD1 3.85Å; E1024-I1027 HydrophobicContact CB-CD1 4.19Å; E1024-I1027 HydrophobicContact CG-CD1 4.13Å; E1024-I1027 WeakPolarHBondContact O-CB 3.37Å; E1024-I1027 PolarHBondContact O-N 3.46Å; E1024-I1027 VanDerWaalsContact O-N 3.11Å; I1027-E1029 PolarHBondContact O-N 3.22Å; I1027-F1030 PolarHBondContact O-N 2.92Å; I1027-T1031 VanDerWaalsContact O-CB 3.22Å; I1027-T1031 WeakPolarHBondContact O-CB 3.49Å; I1027-T1031 PolarHBondContact O-N 2.87Å; I1027-T1031 PolarHBondContact O-OG1 3.21Å
1028	P	76.8	Confident	79.7	Confident	84 Å²	84	61 Å²	61	55%	0.545	33%	0.334	S	S	.	.	H	α-helix	trans	-59.1	-36.2	178.2	-25.1	35.8	0	0	0	112.8	H1025 H1026 A1032	H1025-P1028 WeakPolarHBondContact O-CD 3.43Å; H1026-P1028 VanDerWaalsContact C-CD 3.48Å; P1028-A1032 WeakPolarHBondContact O-CB 3.21Å; P1028-A1032 PolarHBondContact O-N 3.12Å
1029	E	79.3	Confident	79.5	Confident	74 Å²	74	64.9 Å²	64.9	35%	0.346	35%	0.352	S	S	.	.	H	α-helix	trans	-74.1	-46.4	-177.1	-49.8	-171.1	125.3	0	0	111.3	H1026 I1027 T1031 A1032 K1033 L1051 G1052	H1026-E1029 IonicContact ND1-OE2 3.5Å; H1026-E1029 PolarHBondContact O-N 2.87Å; H1026-E1029 VanDerWaalsContact O-N 3.15Å; I1027-E1029 PolarHBondContact O-N 3.22Å; E1029-T1031 VanDerWaalsContact C-N 3.31Å; E1029-T1031 PolarHBondContact O-N 2.93Å; E1029-A1032 PolarHBondContact O-N 3.28Å; E1029-K1033 WeakPolarHBondContact O-CB 3.4Å; E1029-K1033 VanDerWaalsContact O-CG 3.31Å; E1029-K1033 WeakPolarHBondContact O-CG 3.33Å; E1029-K1033 PolarHBondContact O-N 3Å; E1029-K1033 VanDerWaalsContact O-N 3.08Å; E1029-L1051 VanDerWaalsContact CB-O 3.31Å; E1029-L1051 WeakPolarHBondContact CB-O 3.44Å; E1029-G1052 VanDerWaalsContact OE2-CA 3.27Å; E1029-G1052 WeakPolarHBondContact OE2-CA 3.39Å
1030	F	80.4	Confident	79.5	Confident	3 Å²	3	63.8 Å²	63.8	1%	0.013	34%	0.343	C	S	.	.	H	α-helix	trans	-63.3	-36.5	173.6	-82.5	-112.1	0	0	0	112.2	V1014 L1018 H1026 I1027 K1033 N1034 V1035 L1040 L1043 L1048 L1051 V1053 I1062	V1014-F1030 HydrophobicContact CG1-CD1 4.25Å; L1018-F1030 HydrophobicContact CD1-CB 3.98Å; L1018-F1030 HydrophobicContact CD1-CD1 3.85Å; L1018-F1030 HydrophobicContact CD1-CD2 3.9Å; L1018-F1030 HydrophobicContact CD1-CE1 4.28Å; L1018-F1030 HydrophobicContact CD1-CE2 4.31Å; L1018-F1030 HydrophobicContact CD1-CG 3.64Å; L1018-F1030 HydrophobicContact CD1-CZ 4.49Å; H1026-F1030 HydrophobicContact CB-CD2 4.35Å; H1026-F1030 HydrophobicContact CB-CE2 4.37Å; H1026-F1030 WeakPolarHBondContact O-CD2 3.49Å; H1026-F1030 PolarHBondContact O-N 2.96Å; H1026-F1030 VanDerWaalsContact O-N 3.17Å; I1027-F1030 PolarHBondContact O-N 2.92Å; F1030-K1033 CarbonylContact O-C 3.49Å; F1030-K1033 PolarHBondContact O-N 3.4Å; F1030-N1034 PolarHBondContact O-N 3.37Å; F1030-V1035 HydrophobicContact CB-CG2 4.48Å; F1030-V1035 HydrophobicContact CD1-CB 3.95Å; F1030-V1035 HydrophobicContact CD1-CG1 4.02Å; F1030-V1035 HydrophobicContact CD1-CG2 4Å; F1030-V1035 HydrophobicContact CE1-CG1 4.43Å; F1030-V1035 HydrophobicContact CG-CG2 4.46Å; F1030-V1035 PolarHBondContact O-N 3.33Å; F1030-L1040 HydrophobicContact CE1-CD1 4.31Å; F1030-L1043 HydrophobicContact CE1-CD1 3.69Å; F1030-L1043 HydrophobicContact CZ-CD1 4.22Å; F1030-L1048 HydrophobicContact CE1-CD2 4.47Å; F1030-L1048 HydrophobicContact CZ-CD2 3.73Å; F1030-L1051 HydrophobicContact CE1-CD1 4.44Å; F1030-L1051 HydrophobicContact CZ-CD1 4.45Å; F1030-V1053 HydrophobicContact CE2-CG2 3.66Å; F1030-V1053 HydrophobicContact CZ-CG2 4.25Å; F1030-I1062 HydrophobicContact CZ-CD1 4.43Å
1031	T	80.4	Confident	79.6	Confident	67 Å²	67	63 Å²	63	41%	0.411	33%	0.331	S	S	.	.	H	α-helix	trans	-73.5	-41.9	178.7	-53	0	0	0	0	111.4	I1027 E1029 K1033 N1034	I1027-T1031 VanDerWaalsContact O-CB 3.22Å; I1027-T1031 WeakPolarHBondContact O-CB 3.49Å; I1027-T1031 PolarHBondContact O-N 2.87Å; I1027-T1031 PolarHBondContact O-OG1 3.21Å; E1029-T1031 VanDerWaalsContact C-N 3.31Å; E1029-T1031 PolarHBondContact O-N 2.93Å; T1031-K1033 PolarHBondContact O-N 2.83Å; T1031-N1034 WeakPolarHBondContact O-CA 3.42Å; T1031-N1034 PolarHBondContact O-N 3.13Å
1032	A	78.5	Confident	79.6	Confident	89 Å²	89	67.5 Å²	67.5	74%	0.736	35%	0.351	S	S	*	.	H	α-helix	trans	-66.3	-21.7	175.1	0	0	0	0	0	113.2	P1028 E1029	P1028-A1032 WeakPolarHBondContact O-CB 3.21Å; P1028-A1032 PolarHBondContact O-N 3.12Å; E1029-A1032 PolarHBondContact O-N 3.28Å
1033	K	77.3	Confident	79.7	Confident	132 Å²	132	61.8 Å²	61.8	57%	0.574	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-3.2	170.8	-65.8	-72	-176.5	-179.9	0	113.6	E1029 F1030 T1031 V1035 L1051	E1029-K1033 WeakPolarHBondContact O-CB 3.4Å; E1029-K1033 VanDerWaalsContact O-CG 3.31Å; E1029-K1033 WeakPolarHBondContact O-CG 3.33Å; E1029-K1033 PolarHBondContact O-N 3Å; E1029-K1033 VanDerWaalsContact O-N 3.08Å; F1030-K1033 CarbonylContact O-C 3.49Å; F1030-K1033 PolarHBondContact O-N 3.4Å; T1031-K1033 PolarHBondContact O-N 2.83Å; K1033-V1035 VanDerWaalsContact C-N 3.28Å; K1033-V1035 HydrophobicContact CB-CG2 4.03Å; K1033-V1035 PolarHBondContact O-N 3.37Å; K1033-L1051 HydrophobicContact CB-CD2 3.77Å; K1033-L1051 HydrophobicContact CD-CD2 4.26Å; K1033-L1051 HydrophobicContact CG-CD2 3.64Å
1034	N	80.5	Confident	79.5	Confident	93 Å²	93	64.8 Å²	64.8	50%	0.497	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	44.7	-176.8	-165.7	58	0	0	0	114	S1011 F1030 T1031 D1036	S1011-N1034 WeakPolarHBondContact CB-OD1 3.42Å; S1011-N1034 PolarHBondContact OG-OD1 3.23Å; F1030-N1034 PolarHBondContact O-N 3.37Å; T1031-N1034 WeakPolarHBondContact O-CA 3.42Å; T1031-N1034 PolarHBondContact O-N 3.13Å; N1034-D1036 PolarHBondContact O-N 2.99Å; N1034-D1036 VanDerWaalsContact O-N 3.14Å
1035	V	80.4	Confident	79.2	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.012	33%	0.325	C	S	.	.			trans	-65.4	112.4	179	-179.4	0	0	0	0	109.6	S1011 F1030 K1033 Q1039 L1040 L1043 L1051	S1011-V1035 VanDerWaalsContact CA-O 3.31Å; S1011-V1035 WeakPolarHBondContact CA-O 3.41Å; S1011-V1035 WeakPolarHBondContact CB-O 3.41Å; F1030-V1035 HydrophobicContact CB-CG2 4.48Å; F1030-V1035 HydrophobicContact CD1-CB 3.95Å; F1030-V1035 HydrophobicContact CD1-CG1 4.02Å; F1030-V1035 HydrophobicContact CD1-CG2 4Å; F1030-V1035 HydrophobicContact CE1-CG1 4.43Å; F1030-V1035 HydrophobicContact CG-CG2 4.46Å; F1030-V1035 PolarHBondContact O-N 3.33Å; K1033-V1035 VanDerWaalsContact C-N 3.28Å; K1033-V1035 HydrophobicContact CB-CG2 4.03Å; K1033-V1035 PolarHBondContact O-N 3.37Å; V1035-Q1039 HydrophobicContact CG1-CB 4.02Å; V1035-L1040 HydrophobicContact CG1-CB 4.26Å; V1035-L1043 HydrophobicContact CG1-CD1 4.25Å; V1035-L1051 HydrophobicContact CG2-CD1 4.23Å; V1035-L1051 HydrophobicContact CG2-CD2 4.12Å
1036	D	81	Confident	79.2	Confident	47 Å²	47	55.9 Å²	55.9	25%	0.251	31%	0.309	S	S	.	.			trans	-86.2	179.3	172.7	63.5	47.5	0	0	0	112.3	N1034 E1038 Q1039 L1040	N1034-D1036 PolarHBondContact O-N 2.99Å; N1034-D1036 VanDerWaalsContact O-N 3.14Å; D1036-E1038 PolarHBondContact OD1-N 3.44Å; D1036-Q1039 WeakPolarHBondContact OD1-CB 3.38Å; D1036-Q1039 WeakPolarHBondContact OD1-CG 3.44Å; D1036-Q1039 PolarHBondContact OD1-N 3.26Å; D1036-Q1039 PolarHBondContact OD2-NE2 3.35Å; D1036-L1040 VanDerWaalsContact O-CB 3.27Å; D1036-L1040 WeakPolarHBondContact O-CB 2.87Å; D1036-L1040 PolarHBondContact O-N 3.48Å
1037	G	78.6	Confident	79.3	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-68.3	-28.9	-177.9	0	0	0	0	0	115.5	I1006 W1009 L1041	I1006-G1037 CarbonylContact O-C 3.59Å; I1006-G1037 VanDerWaalsContact O-CA 3.22Å; I1006-G1037 WeakPolarHBondContact O-CA 3.25Å; W1009-G1037 PolarHBondContact O-N 3.4Å; G1037-L1041 VanDerWaalsContact O-CG 3.32Å; G1037-L1041 WeakPolarHBondContact O-CG 3.22Å; G1037-L1041 PolarHBondContact O-N 3.3Å
1038	E	79.6	Confident	79.2	Confident	109 Å²	109	57.4 Å²	57.4	51%	0.509	32%	0.315	S	S	.	.	H	α-helix	trans	-72.6	-48.2	174.2	-167.3	-172.3	153.6	0	0	110	D1036 L1040 L1041 Q1042	D1036-E1038 PolarHBondContact OD1-N 3.44Å; E1038-L1040 PolarHBondContact O-N 3.43Å; E1038-L1041 WeakPolarHBondContact O-CB 3.5Å; E1038-L1041 PolarHBondContact O-N 3.28Å; E1038-L1041 VanDerWaalsContact O-N 3.13Å; E1038-Q1042 PolarHBondContact O-N 3.4Å; E1038-Q1042 PolarHBondContact OE1-NE2 3.12Å; E1038-Q1042 VanDerWaalsContact OE1-NE2 3.14Å
1039	Q	78.5	Confident	79.3	Confident	80 Å²	80	59.2 Å²	59.2	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-58.5	-45.8	175.4	-67.2	175.2	42.5	0	0	111.2	V1035 D1036 L1041 Q1042 L1043	V1035-Q1039 HydrophobicContact CG1-CB 4.02Å; D1036-Q1039 WeakPolarHBondContact OD1-CB 3.38Å; D1036-Q1039 WeakPolarHBondContact OD1-CG 3.44Å; D1036-Q1039 PolarHBondContact OD1-N 3.26Å; D1036-Q1039 PolarHBondContact OD2-NE2 3.35Å; Q1039-L1041 PolarHBondContact O-N 2.94Å; Q1039-Q1042 WeakPolarHBondContact O-CA 3.41Å; Q1039-Q1042 PolarHBondContact O-N 2.87Å; Q1039-L1043 WeakPolarHBondContact O-CG 3.48Å; Q1039-L1043 PolarHBondContact O-N 2.83Å; Q1039-L1043 VanDerWaalsContact O-N 3.08Å
1040	L	82.2	Confident	79.3	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-54.2	-37.7	176	177.6	66.7	0	0	0	112.4	V1014 W1017 F1030 V1035 D1036 E1038 Q1042 L1043 I1066 L1069	V1014-L1040 HydrophobicContact CG1-CD1 4.31Å; V1014-L1040 HydrophobicContact CG1-CD2 4.08Å; V1014-L1040 HydrophobicContact CG2-CB 4.39Å; V1014-L1040 HydrophobicContact CG2-CD2 4.05Å; W1017-L1040 HydrophobicContact CD2-CD2 4.4Å; W1017-L1040 HydrophobicContact CE3-CD1 4.47Å; W1017-L1040 HydrophobicContact CE3-CD2 3.96Å; W1017-L1040 HydrophobicContact CH2-CD1 4.23Å; W1017-L1040 HydrophobicContact CH2-CD2 4.3Å; W1017-L1040 HydrophobicContact CZ3-CD1 3.78Å; W1017-L1040 HydrophobicContact CZ3-CD2 3.93Å; W1017-L1040 HydrophobicContact CZ3-CG 4.42Å; F1030-L1040 HydrophobicContact CE1-CD1 4.31Å; V1035-L1040 HydrophobicContact CG1-CB 4.26Å; D1036-L1040 VanDerWaalsContact O-CB 3.27Å; D1036-L1040 WeakPolarHBondContact O-CB 2.87Å; D1036-L1040 PolarHBondContact O-N 3.48Å; E1038-L1040 PolarHBondContact O-N 3.43Å; L1040-Q1042 VanDerWaalsContact C-N 3.33Å; L1040-L1043 HydrophobicContact CD1-CD1 4.33Å; L1040-I1066 HydrophobicContact CD1-CD1 4.12Å; L1040-I1066 HydrophobicContact CD1-CG1 4.17Å; L1040-I1066 HydrophobicContact CG-CG1 4.42Å; L1040-I1066 WeakPolarHBondContact O-CD1 3.35Å; L1040-L1069 HydrophobicContact CD2-CD1 4.29Å
1041	L	81.1	Confident	79	Confident	16 Å²	16	62 Å²	62	8%	0.084	34%	0.336	C	S	.	.	H	α-helix	trans	-73.8	-23.2	176.5	-70.4	171.2	0	0	0	112.4	I1006 G1037 E1038 Q1039 L1069 K1070 M1073	I1006-L1041 HydrophobicContact CB-CD1 4.28Å; I1006-L1041 HydrophobicContact CG2-CD1 3.82Å; I1006-L1041 HydrophobicContact CG2-CD2 4.1Å; I1006-L1041 HydrophobicContact CG2-CG 3.98Å; G1037-L1041 VanDerWaalsContact O-CG 3.32Å; G1037-L1041 WeakPolarHBondContact O-CG 3.22Å; G1037-L1041 PolarHBondContact O-N 3.3Å; E1038-L1041 WeakPolarHBondContact O-CB 3.5Å; E1038-L1041 PolarHBondContact O-N 3.28Å; E1038-L1041 VanDerWaalsContact O-N 3.13Å; Q1039-L1041 PolarHBondContact O-N 2.94Å; L1041-L1069 HydrophobicContact CD2-CB 4.41Å; L1041-K1070 HydrophobicContact CD2-CG 3.73Å; L1041-K1070 WeakPolarHBondContact O-CE 3.06Å; L1041-K1070 PolarHBondContact O-NZ 3.5Å; L1041-M1073 HydrophobicContact CD1-SD 4.11Å
1042	Q	79.6	Confident	78.5	Confident	126 Å²	126	59.7 Å²	59.7	59%	0.589	33%	0.326	S	S	*	.	H	α-helix	trans	-85.7	-28.8	179.1	-63.7	-176.1	38.5	0	0	112.9	E1038 Q1039 L1040 D1044	E1038-Q1042 PolarHBondContact O-N 3.4Å; E1038-Q1042 PolarHBondContact OE1-NE2 3.12Å; E1038-Q1042 VanDerWaalsContact OE1-NE2 3.14Å; Q1039-Q1042 WeakPolarHBondContact O-CA 3.41Å; Q1039-Q1042 PolarHBondContact O-N 2.87Å; L1040-Q1042 VanDerWaalsContact C-N 3.33Å; Q1042-D1044 PolarHBondContact O-N 3.04Å
1043	L	81	Confident	78.6	Confident	24 Å²	24	55.4 Å²	55.4	13%	0.126	29%	0.291	C	S	.	.			trans	-47.2	121.1	-171.8	-63.9	-173.5	0	0	0	116.3	F1030 V1035 Q1039 L1040 E1047 L1048 L1051 I1066	F1030-L1043 HydrophobicContact CE1-CD1 3.69Å; F1030-L1043 HydrophobicContact CZ-CD1 4.22Å; V1035-L1043 HydrophobicContact CG1-CD1 4.25Å; Q1039-L1043 WeakPolarHBondContact O-CG 3.48Å; Q1039-L1043 PolarHBondContact O-N 2.83Å; Q1039-L1043 VanDerWaalsContact O-N 3.08Å; L1040-L1043 HydrophobicContact CD1-CD1 4.33Å; L1043-E1047 WeakPolarHBondContact CA-OE2 3.46Å; L1043-E1047 HydrophobicContact CD2-CB 4.22Å; L1043-L1048 HydrophobicContact CB-CD2 4.36Å; L1043-L1048 HydrophobicContact CB-CG 4.24Å; L1043-L1048 HydrophobicContact CD1-CD2 3.77Å; L1043-L1048 HydrophobicContact CD1-CG 4.49Å; L1043-L1051 HydrophobicContact CD1-CD1 3.53Å; L1043-L1051 HydrophobicContact CD2-CD1 3.6Å; L1043-L1051 HydrophobicContact CG-CD1 4.21Å; L1043-I1066 HydrophobicContact CB-CD1 4.34Å
1044	D	78.1	Confident	78.4	Confident	76 Å²	76	55 Å²	55	41%	0.406	30%	0.299	S	S	.	.			trans	-93.1	-176	177.6	118.2	-58.4	0	0	0	113.7	Q1042 A1046 E1047 L1048	Q1042-D1044 PolarHBondContact O-N 3.04Å; D1044-A1046 WeakPolarHBondContact OD1-CA 3.28Å; D1044-A1046 WeakPolarHBondContact OD1-CB 3.27Å; D1044-A1046 PolarHBondContact OD1-N 3.34Å; D1044-A1046 PolarHBondContact OD2-N 2.92Å; D1044-E1047 PolarHBondContact N-OE2 2.66Å; D1044-E1047 WeakPolarHBondContact OD1-CG 3.35Å; D1044-E1047 PolarHBondContact OD1-N 3.41Å; D1044-L1048 WeakPolarHBondContact O-CB 3.41Å; D1044-L1048 WeakPolarHBondContact O-CD1 3.37Å; D1044-L1048 VanDerWaalsContact O-CG 3.26Å; D1044-L1048 WeakPolarHBondContact O-CG 3.27Å; D1044-L1048 PolarHBondContact O-N 3.14Å; D1044-L1048 VanDerWaalsContact O-N 3.14Å
1045	S	74.9	Confident	78.4	Confident	42 Å²	42	52.3 Å²	52.3	29%	0.294	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-9.3	-179.3	-164.8	0	0	0	0	115.9	K1049 K1063	S1045-K1049 WeakPolarHBondContact O-CE 3.25Å; S1045-K1049 WeakPolarHBondContact O-CG 3.49Å; S1045-K1063 VanDerWaalsContact CB-NZ 3.32Å; S1045-K1063 PolarHBondContact OG-NZ 3.46Å
1046	A	76.6	Confident	78.4	Confident	54 Å²	54	56 Å²	56	45%	0.446	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-41	170.4	0	0	0	0	0	110.6	D1044 K1049 T1050	D1044-A1046 WeakPolarHBondContact OD1-CA 3.28Å; D1044-A1046 WeakPolarHBondContact OD1-CB 3.27Å; D1044-A1046 PolarHBondContact OD1-N 3.34Å; D1044-A1046 PolarHBondContact OD2-N 2.92Å; A1046-K1049 WeakPolarHBondContact O-CA 3.5Å; A1046-K1049 VanDerWaalsContact O-CB 3.29Å; A1046-K1049 WeakPolarHBondContact O-CB 3.27Å; A1046-K1049 PolarHBondContact O-N 2.91Å; A1046-T1050 PolarHBondContact O-N 3.38Å
1047	E	79.3	Confident	78.4	Confident	87 Å²	87	61.6 Å²	61.6	41%	0.407	34%	0.338	S	S	.	.	H	α-helix	trans	-61.5	-43.7	175	-68.1	167.9	157.5	0	0	111.5	L1043 D1044 K1049 T1050 L1051	L1043-E1047 WeakPolarHBondContact CA-OE2 3.46Å; L1043-E1047 HydrophobicContact CD2-CB 4.22Å; D1044-E1047 PolarHBondContact N-OE2 2.66Å; D1044-E1047 WeakPolarHBondContact OD1-CG 3.35Å; D1044-E1047 PolarHBondContact OD1-N 3.41Å; E1047-K1049 PolarHBondContact O-N 3.46Å; E1047-T1050 WeakPolarHBondContact CA-OG1 3.49Å; E1047-T1050 PolarHBondContact O-N 3.01Å; E1047-T1050 PolarHBondContact O-OG1 3.16Å; E1047-L1051 WeakPolarHBondContact O-CB 3.34Å; E1047-L1051 VanDerWaalsContact O-CG 3.31Å; E1047-L1051 WeakPolarHBondContact O-CG 3.49Å; E1047-L1051 PolarHBondContact O-N 3.29Å
1048	L	80.3	Confident	78.6	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-16.9	171.1	-72.5	169.3	0	0	0	113.9	F1030 L1043 D1044 V1053 R1059 I1062 K1063	F1030-L1048 HydrophobicContact CE1-CD2 4.47Å; F1030-L1048 HydrophobicContact CZ-CD2 3.73Å; L1043-L1048 HydrophobicContact CB-CD2 4.36Å; L1043-L1048 HydrophobicContact CB-CG 4.24Å; L1043-L1048 HydrophobicContact CD1-CD2 3.77Å; L1043-L1048 HydrophobicContact CD1-CG 4.49Å; D1044-L1048 WeakPolarHBondContact O-CB 3.41Å; D1044-L1048 WeakPolarHBondContact O-CD1 3.37Å; D1044-L1048 VanDerWaalsContact O-CG 3.26Å; D1044-L1048 WeakPolarHBondContact O-CG 3.27Å; D1044-L1048 PolarHBondContact O-N 3.14Å; D1044-L1048 VanDerWaalsContact O-N 3.14Å; L1048-V1053 VanDerWaalsContact O-CB 3.23Å; L1048-V1053 WeakPolarHBondContact O-CB 3.34Å; L1048-V1053 PolarHBondContact O-N 3.19Å; L1048-R1059 HydrophobicContact CB-CG 4.1Å; L1048-I1062 HydrophobicContact CD1-CB 4.43Å; L1048-I1062 HydrophobicContact CD1-CG2 3.96Å; L1048-I1062 HydrophobicContact CD2-CD1 4.4Å; L1048-I1062 HydrophobicContact CD2-CG2 3.79Å; L1048-K1063 HydrophobicContact CD1-CD 4.13Å; L1048-K1063 HydrophobicContact CD1-CG 3.55Å
1049	K	78.8	Confident	78.8	Confident	123 Å²	123	59.6 Å²	59.6	54%	0.535	33%	0.329	S	S	.	.	H	α-helix	trans	-87.2	-36.1	170.8	-62	173.7	-178.8	175.8	0	112.3	S1045 A1046 E1047 L1051 G1052	S1045-K1049 WeakPolarHBondContact O-CE 3.25Å; S1045-K1049 WeakPolarHBondContact O-CG 3.49Å; A1046-K1049 WeakPolarHBondContact O-CA 3.5Å; A1046-K1049 VanDerWaalsContact O-CB 3.29Å; A1046-K1049 WeakPolarHBondContact O-CB 3.27Å; A1046-K1049 PolarHBondContact O-N 2.91Å; E1047-K1049 PolarHBondContact O-N 3.46Å; K1049-L1051 VanDerWaalsContact C-N 3.3Å; K1049-G1052 PolarHBondContact O-N 2.85Å
1050	T	77.7	Confident	79.1	Confident	113 Å²	113	58.3 Å²	58.3	69%	0.693	33%	0.332	S	S	*	.	H	α-helix	trans	-76.1	-20.2	177.4	59	0	0	0	0	112.6	A1046 E1047 G1052	A1046-T1050 PolarHBondContact O-N 3.38Å; E1047-T1050 WeakPolarHBondContact CA-OG1 3.49Å; E1047-T1050 PolarHBondContact O-N 3.01Å; E1047-T1050 PolarHBondContact O-OG1 3.16Å; T1050-G1052 VanDerWaalsContact C-N 3.29Å
1051	L	75.1	Confident	79.1	Confident	21 Å²	21	62 Å²	62	11%	0.11	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	1.5	169.2	-69	175.7	0	0	0	114.5	E1029 F1030 K1033 V1035 L1043 E1047 K1049	E1029-L1051 VanDerWaalsContact CB-O 3.31Å; E1029-L1051 WeakPolarHBondContact CB-O 3.44Å; F1030-L1051 HydrophobicContact CE1-CD1 4.44Å; F1030-L1051 HydrophobicContact CZ-CD1 4.45Å; K1033-L1051 HydrophobicContact CB-CD2 3.77Å; K1033-L1051 HydrophobicContact CD-CD2 4.26Å; K1033-L1051 HydrophobicContact CG-CD2 3.64Å; V1035-L1051 HydrophobicContact CG2-CD1 4.23Å; V1035-L1051 HydrophobicContact CG2-CD2 4.12Å; L1043-L1051 HydrophobicContact CD1-CD1 3.53Å; L1043-L1051 HydrophobicContact CD2-CD1 3.6Å; L1043-L1051 HydrophobicContact CG-CD1 4.21Å; E1047-L1051 WeakPolarHBondContact O-CB 3.34Å; E1047-L1051 VanDerWaalsContact O-CG 3.31Å; E1047-L1051 WeakPolarHBondContact O-CG 3.49Å; E1047-L1051 PolarHBondContact O-N 3.29Å; K1049-L1051 VanDerWaalsContact C-N 3.3Å
1052	G	70.6	Confident	79.3	Confident	19 Å²	19	61.2 Å²	61.2	20%	0.196	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.3	-13.4	171.4	0	0	0	0	0	116.5	E1029 K1049 T1050 T1054	E1029-G1052 VanDerWaalsContact OE2-CA 3.27Å; E1029-G1052 WeakPolarHBondContact OE2-CA 3.39Å; K1049-G1052 PolarHBondContact O-N 2.85Å; T1050-G1052 VanDerWaalsContact C-N 3.29Å; G1052-T1054 VanDerWaalsContact C-N 3.31Å; G1052-T1054 WeakPolarHBondContact O-CG2 3.49Å; G1052-T1054 PolarHBondContact O-N 3.39Å
1053	V	79.3	Confident	79.5	Confident	0 Å²	0	59 Å²	59	0%	0	34%	0.336	C	S	.	.			trans	-67.4	84.9	179.6	-165.3	0	0	0	0	111.2	F1030 L1048 D1058 R1059 I1062	F1030-V1053 HydrophobicContact CE2-CG2 3.66Å; F1030-V1053 HydrophobicContact CZ-CG2 4.25Å; L1048-V1053 VanDerWaalsContact O-CB 3.23Å; L1048-V1053 WeakPolarHBondContact O-CB 3.34Å; L1048-V1053 PolarHBondContact O-N 3.19Å; V1053-D1058 HydrophobicContact CG1-CB 3.67Å; V1053-R1059 HydrophobicContact CB-CG 3.88Å; V1053-R1059 HydrophobicContact CG1-CG 3.68Å; V1053-R1059 VanDerWaalsContact O-CD 3.32Å; V1053-R1059 WeakPolarHBondContact O-CD 3.27Å; V1053-R1059 WeakPolarHBondContact O-CG 3.42Å; V1053-R1059 PolarHBondContact O-NH1 2.85Å; V1053-I1062 HydrophobicContact CG1-CD1 4.05Å; V1053-I1062 HydrophobicContact CG2-CD1 4.03Å
1054	T	73.3	Confident	79.8	Confident	123 Å²	123	64.3 Å²	64.3	76%	0.755	36%	0.358	S	S	*	.			trans	-73.2	-34.6	-175.5	48	0	0	0	0	112.9	G1052 R1059	G1052-T1054 VanDerWaalsContact C-N 3.31Å; G1052-T1054 WeakPolarHBondContact O-CG2 3.49Å; G1052-T1054 PolarHBondContact O-N 3.39Å; T1054-R1059 PolarHBondContact O-NH1 2.88Å
1055	S	81.6	Confident	80.1	Confident	36 Å²	36	64.4 Å²	64.4	25%	0.252	36%	0.355	S	S	.	.			trans	-62.9	134.7	175.1	172.1	0	0	0	0	111.9	Q1057 D1058 R1059	S1055-Q1057 PolarHBondContact OG-N 2.88Å; S1055-D1058 WeakPolarHBondContact CB-OD1 3.42Å; S1055-D1058 WeakPolarHBondContact CB-OD2 3.42Å; S1055-D1058 PolarHBondContact OG-N 3.49Å; S1055-D1058 PolarHBondContact OG-OD1 3.07Å; S1055-R1059 WeakPolarHBondContact O-CG 3.42Å; S1055-R1059 PolarHBondContact O-N 2.81Å
1056	S	79.6	Confident	80.7	Confident	81 Å²	81	62.8 Å²	62.8	57%	0.566	34%	0.343	S	S	*	.	H	α-helix	trans	-84.9	-16	177.6	-148.3	0	0	0	0	114.2	R1059 A1060	S1056-R1059 VanDerWaalsContact CA-NH2 3.28Å; S1056-R1059 PolarHBondContact OG-NH2 3.27Å; S1056-A1060 PolarHBondContact O-N 3.06Å
1057	Q	81.2	Confident	81.1	Confident	163 Å²	163	67.2 Å²	67.2	76%	0.762	35%	0.352	S	S	*	.	H	α-helix	trans	-76.9	-46.6	172.8	-71.7	174.7	-34.2	0	0	109.5	S1055 R1059 A1060 L1061	S1055-Q1057 PolarHBondContact OG-N 2.88Å; Q1057-R1059 PolarHBondContact O-N 2.98Å; Q1057-A1060 CarbonylContact O-C 3.57Å; Q1057-A1060 WeakPolarHBondContact O-CA 3.32Å; Q1057-A1060 WeakPolarHBondContact O-CB 3.49Å; Q1057-A1060 PolarHBondContact O-N 2.85Å; Q1057-L1061 PolarHBondContact O-N 3.31Å
1058	D	83.3	Confident	81.4	Confident	39 Å²	39	66.3 Å²	66.3	21%	0.209	35%	0.35	C	S	.	.	H	α-helix	trans	-60.5	-47.5	179.3	-52.1	24.2	0	0	0	110.4	L1023 H1026 V1053 S1055 A1060 L1061 I1062	L1023-D1058 HydrophobicContact CD2-CB 3.96Å; H1026-D1058 IonicContact CD2-OD2 3.75Å; H1026-D1058 IonicContact CE1-OD2 3.76Å; H1026-D1058 IonicContact NE2-OD2 3.55Å; H1026-D1058 PolarHBondContact NE2-OD2 3.25Å; V1053-D1058 HydrophobicContact CG1-CB 3.67Å; S1055-D1058 WeakPolarHBondContact CB-OD1 3.42Å; S1055-D1058 WeakPolarHBondContact CB-OD2 3.42Å; S1055-D1058 PolarHBondContact OG-N 3.49Å; S1055-D1058 PolarHBondContact OG-OD1 3.07Å; D1058-A1060 PolarHBondContact O-N 2.82Å; D1058-L1061 PolarHBondContact O-N 3.49Å; D1058-L1061 VanDerWaalsContact O-N 3.13Å; D1058-I1062 WeakPolarHBondContact O-CB 3.34Å; D1058-I1062 VanDerWaalsContact O-CG1 3.28Å; D1058-I1062 WeakPolarHBondContact O-CG1 3.35Å; D1058-I1062 PolarHBondContact O-N 2.85Å
1059	R	83.8	Confident	81.5	Confident	28 Å²	28	67 Å²	67	11%	0.106	35%	0.353	C	S	.	.	H	α-helix	trans	-57.7	-32.9	172.1	-72	-170.4	-57.8	-97.7	-5.4	113.4	L1048 V1053 T1054 S1055 S1056 Q1057 K1063	L1048-R1059 HydrophobicContact CB-CG 4.1Å; V1053-R1059 HydrophobicContact CB-CG 3.88Å; V1053-R1059 HydrophobicContact CG1-CG 3.68Å; V1053-R1059 VanDerWaalsContact O-CD 3.32Å; V1053-R1059 WeakPolarHBondContact O-CD 3.27Å; V1053-R1059 WeakPolarHBondContact O-CG 3.42Å; V1053-R1059 PolarHBondContact O-NH1 2.85Å; T1054-R1059 PolarHBondContact O-NH1 2.88Å; S1055-R1059 WeakPolarHBondContact O-CG 3.42Å; S1055-R1059 PolarHBondContact O-N 2.81Å; S1056-R1059 VanDerWaalsContact CA-NH2 3.28Å; S1056-R1059 PolarHBondContact OG-NH2 3.27Å; Q1057-R1059 PolarHBondContact O-N 2.98Å; R1059-K1063 WeakPolarHBondContact O-CB 3.44Å; R1059-K1063 WeakPolarHBondContact O-CE 3.35Å; R1059-K1063 VanDerWaalsContact O-CG 3.32Å; R1059-K1063 WeakPolarHBondContact O-CG 3.38Å; R1059-K1063 PolarHBondContact O-N 2.72Å
1060	A	83.1	Confident	81.7	Confident	53 Å²	53	65.8 Å²	65.8	44%	0.438	35%	0.348	S	S	.	.	H	α-helix	trans	-75.9	-38.9	176.9	0	0	0	0	0	111.6	S1056 Q1057 D1058 K1064	S1056-A1060 PolarHBondContact O-N 3.06Å; Q1057-A1060 CarbonylContact O-C 3.57Å; Q1057-A1060 WeakPolarHBondContact O-CA 3.32Å; Q1057-A1060 WeakPolarHBondContact O-CB 3.49Å; Q1057-A1060 PolarHBondContact O-N 2.85Å; D1058-A1060 PolarHBondContact O-N 2.82Å; A1060-K1064 WeakPolarHBondContact O-CB 3.35Å; A1060-K1064 PolarHBondContact O-N 3.11Å
1061	L	83.5	Confident	82	Confident	78 Å²	78	64.9 Å²	64.9	41%	0.408	34%	0.342	S	S	.	.	H	α-helix	trans	-67.3	-45.5	176.6	-168.3	146.3	0	0	0	111.4	L1021 L1023 Q1057 D1058 K1064 K1065	L1021-L1061 HydrophobicContact CB-CD2 4.4Å; L1023-L1061 HydrophobicContact CD1-CD2 3.94Å; Q1057-L1061 PolarHBondContact O-N 3.31Å; D1058-L1061 PolarHBondContact O-N 3.49Å; D1058-L1061 VanDerWaalsContact O-N 3.13Å; L1061-K1064 PolarHBondContact O-N 3.41Å; L1061-K1065 HydrophobicContact CD2-CG 4.18Å; L1061-K1065 WeakPolarHBondContact O-CB 3.35Å; L1061-K1065 WeakPolarHBondContact O-CG 3.42Å; L1061-K1065 PolarHBondContact O-N 3.08Å
1062	I	84.4	Confident	82.3	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-58.3	-50.9	173.2	-66	167.4	0	0	0	110.2	L1023 F1030 L1048 V1053 D1058 K1064 K1065 I1066	L1023-I1062 HydrophobicContact CD1-CD1 3.93Å; L1023-I1062 HydrophobicContact CD1-CG1 3.39Å; F1030-I1062 HydrophobicContact CZ-CD1 4.43Å; L1048-I1062 HydrophobicContact CD1-CB 4.43Å; L1048-I1062 HydrophobicContact CD1-CG2 3.96Å; L1048-I1062 HydrophobicContact CD2-CD1 4.4Å; L1048-I1062 HydrophobicContact CD2-CG2 3.79Å; V1053-I1062 HydrophobicContact CG1-CD1 4.05Å; V1053-I1062 HydrophobicContact CG2-CD1 4.03Å; D1058-I1062 WeakPolarHBondContact O-CB 3.34Å; D1058-I1062 VanDerWaalsContact O-CG1 3.28Å; D1058-I1062 WeakPolarHBondContact O-CG1 3.35Å; D1058-I1062 PolarHBondContact O-N 2.85Å; I1062-K1064 VanDerWaalsContact C-N 3.33Å; I1062-K1064 PolarHBondContact O-N 2.97Å; I1062-K1065 CarbonylContact O-C 3.56Å; I1062-K1065 PolarHBondContact O-N 2.86Å; I1062-K1065 VanDerWaalsContact O-N 3.09Å; I1062-I1066 HydrophobicContact CG2-CD1 3.59Å; I1062-I1066 HydrophobicContact CG2-CG1 4.21Å; I1062-I1066 WeakPolarHBondContact O-CG1 3.4Å; I1062-I1066 PolarHBondContact O-N 3.01Å
1063	K	84.9	Confident	82.6	Confident	78 Å²	78	71 Å²	71	34%	0.339	37%	0.368	S	S	.	.	H	α-helix	trans	-62.3	-36.6	177.8	-76.1	-179.2	-67.2	171.4	0	113.3	S1045 L1048 R1059 K1067	S1045-K1063 VanDerWaalsContact CB-NZ 3.32Å; S1045-K1063 PolarHBondContact OG-NZ 3.46Å; L1048-K1063 HydrophobicContact CD1-CD 4.13Å; L1048-K1063 HydrophobicContact CD1-CG 3.55Å; R1059-K1063 WeakPolarHBondContact O-CB 3.44Å; R1059-K1063 WeakPolarHBondContact O-CE 3.35Å; R1059-K1063 VanDerWaalsContact O-CG 3.32Å; R1059-K1063 WeakPolarHBondContact O-CG 3.38Å; R1059-K1063 PolarHBondContact O-N 2.72Å; K1063-K1067 WeakPolarHBondContact O-CB 3.45Å; K1063-K1067 PolarHBondContact O-N 3.32Å
1064	K	87.1	Confident	82.6	Confident	136 Å²	136	73.7 Å²	73.7	59%	0.591	38%	0.381	S	S	*	.	H	α-helix	trans	-61.5	-48.2	171.5	-176.2	178.9	176.7	-178.4	0	110.2	A1060 L1061 I1062 K1067 D1068	A1060-K1064 WeakPolarHBondContact O-CB 3.35Å; A1060-K1064 PolarHBondContact O-N 3.11Å; L1061-K1064 PolarHBondContact O-N 3.41Å; I1062-K1064 VanDerWaalsContact C-N 3.33Å; I1062-K1064 PolarHBondContact O-N 2.97Å; K1064-K1067 CarbonylContact O-C 3.56Å; K1064-K1067 WeakPolarHBondContact O-CA 3.34Å; K1064-K1067 WeakPolarHBondContact O-CB 3.48Å; K1064-K1067 PolarHBondContact O-N 2.84Å; K1064-K1067 VanDerWaalsContact O-N 3.12Å; K1064-D1068 PolarHBondContact O-N 2.87Å
1065	K	84.7	Confident	83.1	Confident	79 Å²	79	74.3 Å²	74.3	34%	0.343	37%	0.373	S	S	.	.	H	α-helix	trans	-70	-31.4	-178.3	-69.5	-70	-176.8	-172.2	0	113.9	W1017 L1021 L1061 I1062 D1068 L1069	W1017-K1065 HydrophobicContact CH2-CB 4.05Å; W1017-K1065 HydrophobicContact CZ2-CB 3.65Å; L1021-K1065 HydrophobicContact CD1-CB 3.89Å; L1021-K1065 HydrophobicContact CD1-CG 3.88Å; L1021-K1065 HydrophobicContact CD2-CD 3.75Å; L1021-K1065 HydrophobicContact CD2-CG 3.76Å; L1061-K1065 HydrophobicContact CD2-CG 4.18Å; L1061-K1065 WeakPolarHBondContact O-CB 3.35Å; L1061-K1065 WeakPolarHBondContact O-CG 3.42Å; L1061-K1065 PolarHBondContact O-N 3.08Å; I1062-K1065 CarbonylContact O-C 3.56Å; I1062-K1065 PolarHBondContact O-N 2.86Å; I1062-K1065 VanDerWaalsContact O-N 3.09Å; K1065-D1068 IonicContact NZ-OD2 2.62Å; K1065-D1068 PolarHBondContact O-N 2.73Å; K1065-L1069 WeakPolarHBondContact O-CB 3.17Å; K1065-L1069 WeakPolarHBondContact O-CG 3.26Å; K1065-L1069 PolarHBondContact O-N 2.86Å
1066	I	86.6	Confident	83	Confident	8 Å²	8	75 Å²	75	4%	0.041	38%	0.381	C	S	.	.	H	α-helix	trans	-65	-40.9	168	-67.7	165.4	0	0	0	110.3	W1017 L1040 L1043 I1062 L1069 K1070	W1017-I1066 HydrophobicContact CH2-CG1 4.12Å; L1040-I1066 HydrophobicContact CD1-CD1 4.12Å; L1040-I1066 HydrophobicContact CD1-CG1 4.17Å; L1040-I1066 HydrophobicContact CG-CG1 4.42Å; L1040-I1066 WeakPolarHBondContact O-CD1 3.35Å; L1043-I1066 HydrophobicContact CB-CD1 4.34Å; I1062-I1066 HydrophobicContact CG2-CD1 3.59Å; I1062-I1066 HydrophobicContact CG2-CG1 4.21Å; I1062-I1066 WeakPolarHBondContact O-CG1 3.4Å; I1062-I1066 PolarHBondContact O-N 3.01Å; I1066-L1069 PolarHBondContact O-N 3.09Å; I1066-K1070 HydrophobicContact CG2-CD 4.5Å; I1066-K1070 WeakPolarHBondContact O-CG 3.08Å; I1066-K1070 PolarHBondContact O-N 3.22Å
1067	K	85.6	Confident	83	Confident	147 Å²	147	76.3 Å²	76.3	64%	0.639	37%	0.374	S	S	*	.	H	α-helix	trans	-64.6	-43.7	174.2	-170.8	-179.4	179.3	-177.2	0	111.6	K1063 K1064 L1069 K1070 V1071	K1063-K1067 WeakPolarHBondContact O-CB 3.45Å; K1063-K1067 PolarHBondContact O-N 3.32Å; K1064-K1067 CarbonylContact O-C 3.56Å; K1064-K1067 WeakPolarHBondContact O-CA 3.34Å; K1064-K1067 WeakPolarHBondContact O-CB 3.48Å; K1064-K1067 PolarHBondContact O-N 2.84Å; K1064-K1067 VanDerWaalsContact O-N 3.12Å; K1067-L1069 PolarHBondContact O-N 2.78Å; K1067-K1070 PolarHBondContact O-N 3.13Å; K1067-V1071 WeakPolarHBondContact O-CG2 3.41Å; K1067-V1071 PolarHBondContact O-N 2.87Å
1068	D	84.4	Confident	82.9	Confident	67 Å²	67	75.3 Å²	75.3	36%	0.358	36%	0.363	S	S	.	.	H	α-helix	trans	-60.3	-43.5	175.3	-61.1	-16	0	0	0	110.7	K1064 K1065 V1071 L1072	K1064-D1068 PolarHBondContact O-N 2.87Å; K1065-D1068 IonicContact NZ-OD2 2.62Å; K1065-D1068 PolarHBondContact O-N 2.73Å; D1068-V1071 PolarHBondContact O-N 3.23Å; D1068-L1072 WeakPolarHBondContact O-CB 3.41Å; D1068-L1072 PolarHBondContact O-N 3.44Å
1069	L	82.9	Confident	82.6	Confident	15 Å²	15	77.6 Å²	77.6	8%	0.079	38%	0.375	C	S	.	.	H	α-helix	trans	-61	-44.8	173.7	-79.3	-178.5	0	0	0	112.6	I1006 W1009 W1017 L1040 L1041 K1065 I1066 K1067 V1071 L1072 M1073	I1006-L1069 HydrophobicContact CD1-CB 4.27Å; I1006-L1069 HydrophobicContact CD1-CD2 3.9Å; I1006-L1069 HydrophobicContact CG1-CD2 4.43Å; I1006-L1069 HydrophobicContact CG2-CD1 4.36Å; W1009-L1069 HydrophobicContact CH2-CD1 4.4Å; W1009-L1069 HydrophobicContact CH2-CD2 3.99Å; W1009-L1069 HydrophobicContact CZ3-CD1 4.19Å; W1017-L1069 HydrophobicContact CD2-CD1 4.44Å; W1017-L1069 HydrophobicContact CH2-CD1 4.33Å; W1017-L1069 HydrophobicContact CZ2-CD1 3.46Å; W1017-L1069 VanDerWaalsContact CZ2-CD1 3.46Å; W1017-L1069 HydrophobicContact CZ2-CG 4.08Å; L1040-L1069 HydrophobicContact CD2-CD1 4.29Å; L1041-L1069 HydrophobicContact CD2-CB 4.41Å; K1065-L1069 WeakPolarHBondContact O-CB 3.17Å; K1065-L1069 WeakPolarHBondContact O-CG 3.26Å; K1065-L1069 PolarHBondContact O-N 2.86Å; I1066-L1069 PolarHBondContact O-N 3.09Å; K1067-L1069 PolarHBondContact O-N 2.78Å; L1069-V1071 VanDerWaalsContact C-N 3.33Å; L1069-V1071 PolarHBondContact O-N 3.36Å; L1069-L1072 PolarHBondContact O-N 3.08Å; L1069-M1073 WeakPolarHBondContact O-CB 3.22Å; L1069-M1073 PolarHBondContact O-N 2.91Å
1070	K	82.9	Confident	82	Confident	98 Å²	98	83 Å²	83	43%	0.426	40%	0.401	S	S	.	.	H	α-helix	trans	-59.9	-42.7	176.7	-75.8	178.8	179.6	-177	0	112	L1041 I1066 K1067 M1073 E1074	L1041-K1070 HydrophobicContact CD2-CG 3.73Å; L1041-K1070 WeakPolarHBondContact O-CE 3.06Å; L1041-K1070 PolarHBondContact O-NZ 3.5Å; I1066-K1070 HydrophobicContact CG2-CD 4.5Å; I1066-K1070 WeakPolarHBondContact O-CG 3.08Å; I1066-K1070 PolarHBondContact O-N 3.22Å; K1067-K1070 PolarHBondContact O-N 3.13Å; K1070-M1073 PolarHBondContact O-N 3.33Å; K1070-E1074 WeakPolarHBondContact O-CB 3.35Å; K1070-E1074 PolarHBondContact O-N 3.04Å
1071	V	84.9	Confident	82.1	Confident	94 Å²	94	83.7 Å²	83.7	57%	0.57	40%	0.396	S	S	*	.	H	α-helix	trans	-65.9	-41	176	172.6	0	0	0	0	111.2	K1067 D1068 L1069 K1075	K1067-V1071 WeakPolarHBondContact O-CG2 3.41Å; K1067-V1071 PolarHBondContact O-N 2.87Å; D1068-V1071 PolarHBondContact O-N 3.23Å; L1069-V1071 VanDerWaalsContact C-N 3.33Å; L1069-V1071 PolarHBondContact O-N 3.36Å; V1071-K1075 WeakPolarHBondContact O-CB 3.31Å; V1071-K1075 PolarHBondContact O-N 3.3Å
1072	L	80.9	Confident	82.2	Confident	97 Å²	97	86.1 Å²	86.1	51%	0.508	40%	0.403	S	S	.	.	H	α-helix	trans	-65	-41.5	176.6	-174.6	62.5	0	0	0	112	D1068 L1069 K1075 A1076	D1068-L1072 WeakPolarHBondContact O-CB 3.41Å; D1068-L1072 PolarHBondContact O-N 3.44Å; L1069-L1072 PolarHBondContact O-N 3.08Å; L1072-K1075 PolarHBondContact O-N 3.38Å; L1072-A1076 WeakPolarHBondContact O-CB 3.28Å; L1072-A1076 PolarHBondContact O-N 3.29Å
1073	M	76.9	Confident	82.1	Confident	70 Å²	70	89.6 Å²	89.6	35%	0.345	42%	0.424	S	S	.	.	H	α-helix	trans	-64	-46.2	177.1	-160.6	-177.6	80.5	0	0	111.8	I1006 L1041 L1069 K1070 K1075 A1076 R1077	I1006-M1073 HydrophobicContact CB-SD 4.35Å; I1006-M1073 HydrophobicContact CD1-CB 3.94Å; I1006-M1073 HydrophobicContact CD1-CG 4.22Å; L1041-M1073 HydrophobicContact CD1-SD 4.11Å; L1069-M1073 WeakPolarHBondContact O-CB 3.22Å; L1069-M1073 PolarHBondContact O-N 2.91Å; K1070-M1073 PolarHBondContact O-N 3.33Å; M1073-K1075 VanDerWaalsContact C-N 3.33Å; M1073-K1075 PolarHBondContact O-N 3.27Å; M1073-A1076 PolarHBondContact O-N 3.1Å; M1073-R1077 WeakPolarHBondContact O-CB 3.36Å; M1073-R1077 PolarHBondContact O-N 3.41Å
1074	E	80.1	Confident	82.1	Confident	58 Å²	58	92.4 Å²	92.4	27%	0.271	44%	0.438	S	S	.	.	H	α-helix	trans	-66.8	-34.2	177.3	176.1	59.6	-173	0	0	111.8	K1070 R1077 R1078	K1070-E1074 WeakPolarHBondContact O-CB 3.35Å; K1070-E1074 PolarHBondContact O-N 3.04Å; E1074-R1077 IonicContact OE1-CZ 2.63Å; E1074-R1077 IonicContact OE1-NE 3.84Å; E1074-R1077 IonicContact OE1-NH2 2.63Å; E1074-R1077 PolarHBondContact OE1-NH2 3.04Å; E1074-R1077 IonicContact OE2-CZ 2.84Å; E1074-R1077 IonicContact OE2-NE 3.94Å; E1074-R1077 PolarHBondContact OE2-NE 3.22Å; E1074-R1077 IonicContact OE2-NH2 3.16Å; E1074-R1077 PolarHBondContact OE2-NH2 2.94Å; E1074-R1078 WeakPolarHBondContact O-CB 3.46Å; E1074-R1078 VanDerWaalsContact O-CG 3.27Å; E1074-R1078 WeakPolarHBondContact O-CG 3.34Å; E1074-R1078 PolarHBondContact O-N 3.49Å; E1074-R1078 IonicContact OE1-CZ 3.03Å; E1074-R1078 IonicContact OE1-NE 2.68Å; E1074-R1078 PolarHBondContact OE1-NE 3.28Å; E1074-R1078 IonicContact OE1-NH2 3.92Å; E1074-R1078 PolarHBondContact OE1-NH2 3.08Å
1075	K	82.9	Confident	82.2	Confident	136 Å²	136	89.5 Å²	89.5	59%	0.591	43%	0.426	S	S	*	.	H	α-helix	trans	-64.6	-43	170.8	-172.9	178.7	-180	-177.8	0	111.6	V1071 L1072 M1073 R1078 N1079	V1071-K1075 WeakPolarHBondContact O-CB 3.31Å; V1071-K1075 PolarHBondContact O-N 3.3Å; L1072-K1075 PolarHBondContact O-N 3.38Å; M1073-K1075 VanDerWaalsContact C-N 3.33Å; M1073-K1075 PolarHBondContact O-N 3.27Å; K1075-R1078 PolarHBondContact O-N 2.79Å; K1075-N1079 PolarHBondContact O-N 3.01Å
1076	A	78.4	Confident	82.2	Confident	49 Å²	49	91.7 Å²	91.7	41%	0.405	44%	0.437	S	S	.	.	H	α-helix	trans	-64	-45.1	176.3	0	0	0	0	0	111.8	L1072 M1073 R1078 N1079 Q1080	L1072-A1076 WeakPolarHBondContact O-CB 3.28Å; L1072-A1076 PolarHBondContact O-N 3.29Å; M1073-A1076 PolarHBondContact O-N 3.1Å; A1076-R1078 PolarHBondContact O-N 3.22Å; A1076-N1079 PolarHBondContact O-N 3.45Å; A1076-N1079 VanDerWaalsContact O-N 3.17Å; A1076-Q1080 PolarHBondContact O-N 3.32Å
1077	R	81.6	Confident	82.2	Confident	110 Å²	110	100 Å²	100	42%	0.415	47%	0.468	S	S	.	.	H	α-helix	trans	-58	-47.5	175.7	-167.2	-164.3	65.3	68.7	3.4	111.7	M1073 E1074 N1079 Q1080 E1081	M1073-R1077 WeakPolarHBondContact O-CB 3.36Å; M1073-R1077 PolarHBondContact O-N 3.41Å; E1074-R1077 IonicContact OE1-CZ 2.63Å; E1074-R1077 IonicContact OE1-NE 3.84Å; E1074-R1077 IonicContact OE1-NH2 2.63Å; E1074-R1077 PolarHBondContact OE1-NH2 3.04Å; E1074-R1077 IonicContact OE2-CZ 2.84Å; E1074-R1077 IonicContact OE2-NE 3.94Å; E1074-R1077 PolarHBondContact OE2-NE 3.22Å; E1074-R1077 IonicContact OE2-NH2 3.16Å; E1074-R1077 PolarHBondContact OE2-NH2 2.94Å; R1077-N1079 VanDerWaalsContact C-N 3.32Å; R1077-N1079 PolarHBondContact O-N 3.09Å; R1077-Q1080 PolarHBondContact O-N 2.96Å; R1077-E1081 IonicContact CZ-OE2 3.85Å; R1077-E1081 IonicContact NH1-OE2 3.78Å; R1077-E1081 PolarHBondContact NH1-OE2 3.48Å; R1077-E1081 IonicContact NH2-OE2 2.76Å; R1077-E1081 WeakPolarHBondContact O-CB 3.36Å; R1077-E1081 PolarHBondContact O-N 2.91Å
1078	R	78	Confident	82.4	Confident	141 Å²	141	99.5 Å²	99.5	53%	0.532	47%	0.468	S	S	.	.	H	α-helix	trans	-62.2	-36.2	175.8	-72.3	174.4	-168.4	-157.1	0.9	112.9	E1074 K1075 A1076 K1082	E1074-R1078 WeakPolarHBondContact O-CB 3.46Å; E1074-R1078 VanDerWaalsContact O-CG 3.27Å; E1074-R1078 WeakPolarHBondContact O-CG 3.34Å; E1074-R1078 PolarHBondContact O-N 3.49Å; E1074-R1078 IonicContact OE1-CZ 3.03Å; E1074-R1078 IonicContact OE1-NE 2.68Å; E1074-R1078 PolarHBondContact OE1-NE 3.28Å; E1074-R1078 IonicContact OE1-NH2 3.92Å; E1074-R1078 PolarHBondContact OE1-NH2 3.08Å; K1075-R1078 PolarHBondContact O-N 2.79Å; A1076-R1078 PolarHBondContact O-N 3.22Å; R1078-K1082 WeakPolarHBondContact O-CG 3.41Å; R1078-K1082 PolarHBondContact O-N 3.25Å
1079	N	76.4	Confident	82.5	Confident	88 Å²	88	102.7 Å²	102.7	47%	0.471	48%	0.479	S	S	.	.	H	α-helix	trans	-69.6	-40.6	175.9	-78.3	5.9	0	0	0	111.9	K1075 A1076 R1077 K1082 V1083	K1075-N1079 PolarHBondContact O-N 3.01Å; A1076-N1079 PolarHBondContact O-N 3.45Å; A1076-N1079 VanDerWaalsContact O-N 3.17Å; R1077-N1079 VanDerWaalsContact C-N 3.32Å; R1077-N1079 PolarHBondContact O-N 3.09Å; N1079-K1082 PolarHBondContact O-N 3.26Å; N1079-V1083 WeakPolarHBondContact O-CG2 2.98Å; N1079-V1083 PolarHBondContact O-N 3.24Å
1080	Q	72.8	Confident	82.8	Confident	141 Å²	141	107.5 Å²	107.5	66%	0.659	50%	0.503	S	S	*	.	H	α-helix	trans	-61.1	-47.1	172.3	-73.5	175.9	-30.6	0	0	111.2	A1076 R1077 K1082 V1083 E1084	A1076-Q1080 PolarHBondContact O-N 3.32Å; R1077-Q1080 PolarHBondContact O-N 2.96Å; Q1080-K1082 VanDerWaalsContact C-N 3.29Å; Q1080-K1082 PolarHBondContact O-N 3.3Å; Q1080-V1083 PolarHBondContact O-N 3.49Å; Q1080-V1083 VanDerWaalsContact O-N 3.11Å; Q1080-E1084 WeakPolarHBondContact O-CB 3.32Å; Q1080-E1084 PolarHBondContact O-N 3.29Å
1081	E	84.7	Confident	83	Confident	68 Å²	68	111.3 Å²	111.3	32%	0.318	52%	0.515	S	S	.	.	H	α-helix	trans	-58.5	-38	177.1	-163.3	-166.4	128.9	0	0	112.3	R1077 K1085	R1077-E1081 IonicContact CZ-OE2 3.85Å; R1077-E1081 IonicContact NH1-OE2 3.78Å; R1077-E1081 PolarHBondContact NH1-OE2 3.48Å; R1077-E1081 IonicContact NH2-OE2 2.76Å; R1077-E1081 WeakPolarHBondContact O-CB 3.36Å; R1077-E1081 PolarHBondContact O-N 2.91Å; E1081-K1085 HydrophobicContact CG-CD 4.42Å; E1081-K1085 WeakPolarHBondContact O-CB 3.44Å; E1081-K1085 VanDerWaalsContact O-CG 3.29Å; E1081-K1085 WeakPolarHBondContact O-CG 3.26Å; E1081-K1085 PolarHBondContact O-N 2.98Å; E1081-K1085 IonicContact OE1-NZ 2.71Å; E1081-K1085 PolarHBondContact OE1-NZ 2.88Å
1082	K	85.3	Confident	83.2	Confident	129 Å²	129	114 Å²	114	56%	0.561	52%	0.518	S	S	*	.	H	α-helix	trans	-66	-45	173	-77.7	-176.1	175.5	-164	0	112.6	R1078 N1079 Q1080 K1085 Q1086	R1078-K1082 WeakPolarHBondContact O-CG 3.41Å; R1078-K1082 PolarHBondContact O-N 3.25Å; N1079-K1082 PolarHBondContact O-N 3.26Å; Q1080-K1082 VanDerWaalsContact C-N 3.29Å; Q1080-K1082 PolarHBondContact O-N 3.3Å; K1082-K1085 PolarHBondContact O-N 2.87Å; K1082-Q1086 WeakPolarHBondContact O-CG 3.41Å; K1082-Q1086 PolarHBondContact O-N 3.44Å
1083	V	82.9	Confident	83.6	Confident	72 Å²	72	116.9 Å²	116.9	44%	0.436	53%	0.527	S	S	.	.	H	α-helix	trans	-67	-36.9	178.5	170.7	0	0	0	0	111.5	N1079 Q1080 Q1086 R1087	N1079-V1083 WeakPolarHBondContact O-CG2 2.98Å; N1079-V1083 PolarHBondContact O-N 3.24Å; Q1080-V1083 PolarHBondContact O-N 3.49Å; Q1080-V1083 VanDerWaalsContact O-N 3.11Å; V1083-Q1086 PolarHBondContact O-N 2.71Å; V1083-R1087 WeakPolarHBondContact O-CG 3.45Å; V1083-R1087 PolarHBondContact O-N 2.8Å
1084	E	84.8	Confident	84.2	Confident	138 Å²	138	118.6 Å²	118.6	65%	0.645	53%	0.534	S	S	*	.	H	α-helix	trans	-66.8	-47.6	175.6	-172.4	161.2	-136.9	0	0	111.3	Q1080 Q1086 R1087 E1088	Q1080-E1084 WeakPolarHBondContact O-CB 3.32Å; Q1080-E1084 PolarHBondContact O-N 3.29Å; E1084-Q1086 VanDerWaalsContact C-N 3.26Å; E1084-Q1086 PolarHBondContact O-N 3.14Å; E1084-R1087 CarbonylContact O-C 3.6Å; E1084-R1087 PolarHBondContact O-N 3.28Å; E1084-R1087 VanDerWaalsContact O-N 3.09Å; E1084-E1088 WeakPolarHBondContact O-CB 3.45Å; E1084-E1088 PolarHBondContact O-N 2.85Å
1085	K	88.8	Confident	84.6	Confident	75 Å²	75	120.1 Å²	120.1	33%	0.326	54%	0.544	S	S	.	.	H	α-helix	trans	-59.2	-33.1	172.4	-75.5	170	174.4	173.2	0	113	E1081 K1082 K1089	E1081-K1085 HydrophobicContact CG-CD 4.42Å; E1081-K1085 WeakPolarHBondContact O-CB 3.44Å; E1081-K1085 VanDerWaalsContact O-CG 3.29Å; E1081-K1085 WeakPolarHBondContact O-CG 3.26Å; E1081-K1085 PolarHBondContact O-N 2.98Å; E1081-K1085 IonicContact OE1-NZ 2.71Å; E1081-K1085 PolarHBondContact OE1-NZ 2.88Å; K1082-K1085 PolarHBondContact O-N 2.87Å; K1085-K1089 WeakPolarHBondContact O-CB 3.35Å; K1085-K1089 VanDerWaalsContact O-CG 3.31Å; K1085-K1089 WeakPolarHBondContact O-CG 3.33Å; K1085-K1089 PolarHBondContact O-N 2.95Å
1086	Q	83.6	Confident	84.7	Confident	125 Å²	125	117.6 Å²	117.6	58%	0.584	53%	0.534	S	S	*	.	H	α-helix	trans	-69.1	-45.3	171.9	-77.9	177.8	-21.4	0	0	112.2	K1082 V1083 E1084 E1088 K1089 I1090	K1082-Q1086 WeakPolarHBondContact O-CG 3.41Å; K1082-Q1086 PolarHBondContact O-N 3.44Å; V1083-Q1086 PolarHBondContact O-N 2.71Å; E1084-Q1086 VanDerWaalsContact C-N 3.26Å; E1084-Q1086 PolarHBondContact O-N 3.14Å; Q1086-E1088 VanDerWaalsContact C-N 3.32Å; Q1086-E1088 PolarHBondContact O-N 3.04Å; Q1086-K1089 PolarHBondContact O-N 3.33Å; Q1086-I1090 WeakPolarHBondContact O-CG1 3.22Å; Q1086-I1090 PolarHBondContact O-N 3.44Å
1087	R	87.7	Confident	84.9	Confident	183 Å²	183	119.8 Å²	119.8	69%	0.691	54%	0.536	S	S	*	.	H	α-helix	trans	-62.1	-38.1	175.3	-75.1	173.7	173.8	-102.7	-2.4	112.3	V1083 E1084 I1090 R1091	V1083-R1087 WeakPolarHBondContact O-CG 3.45Å; V1083-R1087 PolarHBondContact O-N 2.8Å; E1084-R1087 CarbonylContact O-C 3.6Å; E1084-R1087 PolarHBondContact O-N 3.28Å; E1084-R1087 VanDerWaalsContact O-N 3.09Å; R1087-I1090 PolarHBondContact O-N 3.18Å; R1087-R1091 WeakPolarHBondContact O-CB 3.33Å; R1087-R1091 PolarHBondContact O-N 3.14Å
1088	E	88.9	Confident	85	Confident	136 Å²	136	120 Å²	120	64%	0.636	54%	0.541	S	S	*	.	H	α-helix	trans	-67.3	-43.3	174.7	-171.9	177.8	-149.7	0	0	111.7	E1084 Q1086 I1090 R1091 K1092	E1084-E1088 WeakPolarHBondContact O-CB 3.45Å; E1084-E1088 PolarHBondContact O-N 2.85Å; Q1086-E1088 VanDerWaalsContact C-N 3.32Å; Q1086-E1088 PolarHBondContact O-N 3.04Å; E1088-I1090 VanDerWaalsContact C-N 3.27Å; E1088-I1090 PolarHBondContact O-N 2.8Å; E1088-R1091 PolarHBondContact O-N 2.83Å; E1088-K1092 WeakPolarHBondContact O-CB 3.47Å; E1088-K1092 PolarHBondContact O-N 2.81Å
1089	K	88	Confident	85.2	Confident	134 Å²	134	119.4 Å²	119.4	58%	0.583	55%	0.545	S	S	*	.	H	α-helix	trans	-59.2	-36.6	172.2	-77.7	179.2	179.6	-172.2	0	112.3	K1085 Q1086 K1093	K1085-K1089 WeakPolarHBondContact O-CB 3.35Å; K1085-K1089 VanDerWaalsContact O-CG 3.31Å; K1085-K1089 WeakPolarHBondContact O-CG 3.33Å; K1085-K1089 PolarHBondContact O-N 2.95Å; Q1086-K1089 PolarHBondContact O-N 3.33Å; K1089-K1093 WeakPolarHBondContact O-CG 3.45Å; K1089-K1093 PolarHBondContact O-N 2.97Å
1090	I	87.3	Confident	85.3	Confident	115 Å²	115	120.1 Å²	120.1	59%	0.59	54%	0.544	S	S	*	.	H	α-helix	trans	-68.2	-52.5	174.2	-67.7	164.3	0	0	0	110.7	Q1086 R1087 E1088 K1092 K1093 E1094	Q1086-I1090 WeakPolarHBondContact O-CG1 3.22Å; Q1086-I1090 PolarHBondContact O-N 3.44Å; R1087-I1090 PolarHBondContact O-N 3.18Å; E1088-I1090 VanDerWaalsContact C-N 3.27Å; E1088-I1090 PolarHBondContact O-N 2.8Å; I1090-K1092 VanDerWaalsContact C-N 3.26Å; I1090-K1092 PolarHBondContact O-N 3.38Å; I1090-K1093 WeakPolarHBondContact O-CB 3.42Å; I1090-K1093 PolarHBondContact O-N 3.43Å; I1090-K1093 VanDerWaalsContact O-N 3.08Å; I1090-E1094 PolarHBondContact O-N 2.69Å
1091	R	87.6	Confident	85.6	Confident	179 Å²	179	116.2 Å²	116.2	68%	0.675	53%	0.528	S	S	*	.	H	α-helix	trans	-57.4	-37.4	177.3	177.2	-178.6	-81.6	172.9	-7.4	112.2	R1087 E1088 E1094 L1095	R1087-R1091 WeakPolarHBondContact O-CB 3.33Å; R1087-R1091 PolarHBondContact O-N 3.14Å; E1088-R1091 PolarHBondContact O-N 2.83Å; R1091-E1094 PolarHBondContact O-N 3.3Å; R1091-L1095 WeakPolarHBondContact O-CB 3.31Å; R1091-L1095 PolarHBondContact O-N 2.89Å
1092	K	90	Very high	85.2	Confident	149 Å²	149	115.4 Å²	115.4	65%	0.648	53%	0.533	S	S	*	.	H	α-helix	trans	-64.1	-45.5	175.8	-173.3	-178.7	175.7	-173.3	0	111.2	E1088 I1090 E1094 L1095 E1096	E1088-K1092 WeakPolarHBondContact O-CB 3.47Å; E1088-K1092 PolarHBondContact O-N 2.81Å; I1090-K1092 VanDerWaalsContact C-N 3.26Å; I1090-K1092 PolarHBondContact O-N 3.38Å; K1092-E1094 VanDerWaalsContact C-N 3.34Å; K1092-L1095 PolarHBondContact O-N 2.75Å; K1092-E1096 VanDerWaalsContact O-CB 3.27Å; K1092-E1096 WeakPolarHBondContact O-CB 3.18Å; K1092-E1096 PolarHBondContact O-N 2.9Å
1093	K	88.3	Confident	84.4	Confident	158 Å²	158	112.9 Å²	112.9	69%	0.687	53%	0.53	S	S	*	.	H	α-helix	trans	-61.9	-41	174.8	-74.7	-177	174.4	-168.7	0	112.2	K1089 I1090 Q1097	K1089-K1093 WeakPolarHBondContact O-CG 3.45Å; K1089-K1093 PolarHBondContact O-N 2.97Å; I1090-K1093 WeakPolarHBondContact O-CB 3.42Å; I1090-K1093 PolarHBondContact O-N 3.43Å; I1090-K1093 VanDerWaalsContact O-N 3.08Å; K1093-Q1097 VanDerWaalsContact O-CB 3.28Å; K1093-Q1097 WeakPolarHBondContact O-CB 3.23Å; K1093-Q1097 PolarHBondContact O-N 2.96Å
1094	E	90.6	Very high	83.9	Confident	107 Å²	107	115.1 Å²	115.1	50%	0.5	53%	0.534	S	S	.	.	H	α-helix	trans	-61.9	-45.8	176.4	-176.1	-176.9	-169.9	0	0	111.9	I1090 R1091 K1092 Q1097 Q1098	I1090-E1094 PolarHBondContact O-N 2.69Å; R1091-E1094 PolarHBondContact O-N 3.3Å; K1092-E1094 VanDerWaalsContact C-N 3.34Å; E1094-Q1097 WeakPolarHBondContact O-CB 3.4Å; E1094-Q1097 PolarHBondContact O-N 3.47Å; E1094-Q1098 WeakPolarHBondContact O-CG 3.32Å; E1094-Q1098 PolarHBondContact O-N 3.29Å
1095	L	87.3	Confident	83.1	Confident	90 Å²	90	115.1 Å²	115.1	47%	0.471	53%	0.534	S	S	.	.	H	α-helix	trans	-71.4	-36.4	179.5	-158.4	156.4	0	0	0	111.9	R1091 K1092 Q1097 Q1098 Q1099	R1091-L1095 WeakPolarHBondContact O-CB 3.31Å; R1091-L1095 PolarHBondContact O-N 2.89Å; K1092-L1095 PolarHBondContact O-N 2.75Å; L1095-Q1097 VanDerWaalsContact C-N 3.35Å; L1095-Q1098 PolarHBondContact O-N 3.27Å; L1095-Q1099 HydrophobicContact CD2-CG 4.34Å; L1095-Q1099 WeakPolarHBondContact O-CG 3.4Å; L1095-Q1099 PolarHBondContact O-N 3.03Å
1096	E	86.7	Confident	81.9	Confident	83 Å²	83	115.4 Å²	115.4	39%	0.388	55%	0.546	S	S	.	.	H	α-helix	trans	-65.8	-36.7	171.8	-167.4	-170.9	130.2	0	0	111.9	K1092 Q1099 K1100	K1092-E1096 VanDerWaalsContact O-CB 3.27Å; K1092-E1096 WeakPolarHBondContact O-CB 3.18Å; K1092-E1096 PolarHBondContact O-N 2.9Å; E1096-Q1099 PolarHBondContact O-N 3.15Å; E1096-K1100 VanDerWaalsContact O-CG 3.32Å; E1096-K1100 WeakPolarHBondContact O-CG 3.4Å; E1096-K1100 PolarHBondContact O-N 3.15Å; E1096-K1100 IonicContact OE1-NZ 2.64Å; E1096-K1100 PolarHBondContact OE1-NZ 3.48Å
1097	Q	82.4	Confident	80.5	Confident	94 Å²	94	113.7 Å²	113.7	44%	0.439	55%	0.547	S	S	.	.	H	α-helix	trans	-66.2	-46.6	172.7	-175.7	61.7	41.3	0	0	111	K1093 E1094 L1095 Q1099 K1100 D1101	K1093-Q1097 VanDerWaalsContact O-CB 3.28Å; K1093-Q1097 WeakPolarHBondContact O-CB 3.23Å; K1093-Q1097 PolarHBondContact O-N 2.96Å; E1094-Q1097 WeakPolarHBondContact O-CB 3.4Å; E1094-Q1097 PolarHBondContact O-N 3.47Å; L1095-Q1097 VanDerWaalsContact C-N 3.35Å; Q1097-Q1099 VanDerWaalsContact C-N 3.3Å; Q1097-Q1099 PolarHBondContact O-N 3.17Å; Q1097-K1100 CarbonylContact O-C 3.59Å; Q1097-K1100 WeakPolarHBondContact O-CB 3.39Å; Q1097-K1100 PolarHBondContact O-N 3.05Å; Q1097-K1100 VanDerWaalsContact O-N 3.07Å; Q1097-D1101 VanDerWaalsContact NE2-CG 3.31Å; Q1097-D1101 PolarHBondContact NE2-OD1 3.23Å; Q1097-D1101 PolarHBondContact NE2-OD2 3.45Å; Q1097-D1101 PolarHBondContact O-N 3.08Å
1098	Q	83.9	Confident	78.7	Confident	114 Å²	114	110.6 Å²	110.6	53%	0.533	55%	0.549	S	S	.	.	H	α-helix	trans	-59.1	-38.2	174.7	-72.7	171.8	14.5	0	0	112.2	E1094 L1095 D1101 A1102	E1094-Q1098 WeakPolarHBondContact O-CG 3.32Å; E1094-Q1098 PolarHBondContact O-N 3.29Å; L1095-Q1098 PolarHBondContact O-N 3.27Å; Q1098-D1101 PolarHBondContact O-N 3.43Å; Q1098-A1102 VanDerWaalsContact O-CB 3.26Å; Q1098-A1102 WeakPolarHBondContact O-CB 3.31Å; Q1098-A1102 PolarHBondContact O-N 3.36Å
1099	Q	80.6	Confident	76.5	Confident	130 Å²	130	115.8 Å²	115.8	61%	0.607	57%	0.573	S	S	*	*	H	α-helix	trans	-66.7	-40.3	172.5	-76.3	-175.3	-0.8	0	0	112.7	L1095 E1096 Q1097 D1101 C1103	L1095-Q1099 HydrophobicContact CD2-CG 4.34Å; L1095-Q1099 WeakPolarHBondContact O-CG 3.4Å; L1095-Q1099 PolarHBondContact O-N 3.03Å; E1096-Q1099 PolarHBondContact O-N 3.15Å; Q1097-Q1099 VanDerWaalsContact C-N 3.3Å; Q1097-Q1099 PolarHBondContact O-N 3.17Å; Q1099-D1101 VanDerWaalsContact C-N 3.3Å; Q1099-D1101 PolarHBondContact O-N 3.45Å; Q1099-C1103 WeakPolarHBondContact O-CB 3.5Å; Q1099-C1103 PolarHBondContact O-N 3.38Å
1100	K	80.1	Confident	75.9	Confident	103 Å²	103	114.9 Å²	114.9	45%	0.448	57%	0.573	S	S	.	*	H	α-helix	trans	-66	-32.2	176	-76.4	165.9	176.6	171.8	0	112.6	E1096 Q1097 K1104	E1096-K1100 VanDerWaalsContact O-CG 3.32Å; E1096-K1100 WeakPolarHBondContact O-CG 3.4Å; E1096-K1100 PolarHBondContact O-N 3.15Å; E1096-K1100 IonicContact OE1-NZ 2.64Å; E1096-K1100 PolarHBondContact OE1-NZ 3.48Å; Q1097-K1100 CarbonylContact O-C 3.59Å; Q1097-K1100 WeakPolarHBondContact O-CB 3.39Å; Q1097-K1100 PolarHBondContact O-N 3.05Å; Q1097-K1100 VanDerWaalsContact O-N 3.07Å; K1100-K1104 WeakPolarHBondContact O-CD 3.46Å; K1100-K1104 VanDerWaalsContact O-CE 3.32Å; K1100-K1104 WeakPolarHBondContact O-CE 3.47Å; K1100-K1104 VanDerWaalsContact O-CG 3.3Å; K1100-K1104 WeakPolarHBondContact O-CG 3.16Å; K1100-K1104 PolarHBondContact O-N 3.05Å
1101	D	78.6	Confident	75.3	Confident	59 Å²	59	114.8 Å²	114.8	32%	0.316	57%	0.572	S	S	.	*	H	α-helix	trans	-82.1	-41.9	178.3	-65.3	-30.7	0	0	0	111.6	Q1097 Q1098 Q1099 C1103 K1104 E1105	Q1097-D1101 VanDerWaalsContact NE2-CG 3.31Å; Q1097-D1101 PolarHBondContact NE2-OD1 3.23Å; Q1097-D1101 PolarHBondContact NE2-OD2 3.45Å; Q1097-D1101 PolarHBondContact O-N 3.08Å; Q1098-D1101 PolarHBondContact O-N 3.43Å; Q1099-D1101 VanDerWaalsContact C-N 3.3Å; Q1099-D1101 PolarHBondContact O-N 3.45Å; D1101-C1103 VanDerWaalsContact C-N 3.27Å; D1101-C1103 PolarHBondContact O-N 2.58Å; D1101-K1104 WeakPolarHBondContact O-CB 3.29Å; D1101-K1104 PolarHBondContact O-N 3.13Å; D1101-K1104 IonicContact OD1-NZ 3.88Å; D1101-K1104 PolarHBondContact OD1-NZ 3.03Å; D1101-E1105 PolarHBondContact O-N 3.01Å
1102	A	75.7	Confident	74.6	Confident	51 Å²	51	111.3 Å²	111.3	42%	0.421	57%	0.566	S	S	.	*	H	α-helix	trans	-59.5	-36.3	170.7	0	0	0	0	0	112.7	Q1098 K1104 E1105 S1106	Q1098-A1102 VanDerWaalsContact O-CB 3.26Å; Q1098-A1102 WeakPolarHBondContact O-CB 3.31Å; Q1098-A1102 PolarHBondContact O-N 3.36Å; A1102-K1104 VanDerWaalsContact C-N 3.33Å; A1102-K1104 PolarHBondContact O-N 3.05Å; A1102-E1105 PolarHBondContact O-N 3.22Å; A1102-S1106 WeakPolarHBondContact O-CB 3.27Å; A1102-S1106 PolarHBondContact O-N 3.11Å; A1102-S1106 PolarHBondContact O-OG 2.86Å
1103	C	69.4	Low	73.7	Confident	76 Å²	76	109.1 Å²	109.1	51%	0.514	56%	0.561	S	S	.	*	H	α-helix	trans	-67.3	-31.2	174.9	-172.1	0	0	0	0	112.7	Q1099 D1101 S1106 S1107	Q1099-C1103 WeakPolarHBondContact O-CB 3.5Å; Q1099-C1103 PolarHBondContact O-N 3.38Å; D1101-C1103 VanDerWaalsContact C-N 3.27Å; D1101-C1103 PolarHBondContact O-N 2.58Å; C1103-S1106 WeakPolarHBondContact CA-OG 3.48Å; C1103-S1106 PolarHBondContact O-OG 3.32Å; C1103-S1106 VanDerWaalsContact O-OG 3.14Å; C1103-S1107 WeakPolarHBondContact O-CB 3.39Å; C1103-S1107 PolarHBondContact O-N 2.73Å; C1103-S1107 PolarHBondContact O-OG 2.71Å
1104	K	71.3	Confident	72.8	Confident	118 Å²	118	106 Å²	106	51%	0.513	55%	0.553	S	S	.	*	H	α-helix	trans	-71.2	-44.3	171.4	-66.6	161.6	-160.4	163.6	0	110.9	K1100 D1101 A1102 S1106 S1107 T1108	K1100-K1104 WeakPolarHBondContact O-CD 3.46Å; K1100-K1104 VanDerWaalsContact O-CE 3.32Å; K1100-K1104 WeakPolarHBondContact O-CE 3.47Å; K1100-K1104 VanDerWaalsContact O-CG 3.3Å; K1100-K1104 WeakPolarHBondContact O-CG 3.16Å; K1100-K1104 PolarHBondContact O-N 3.05Å; D1101-K1104 WeakPolarHBondContact O-CB 3.29Å; D1101-K1104 PolarHBondContact O-N 3.13Å; D1101-K1104 IonicContact OD1-NZ 3.88Å; D1101-K1104 PolarHBondContact OD1-NZ 3.03Å; A1102-K1104 VanDerWaalsContact C-N 3.33Å; A1102-K1104 PolarHBondContact O-N 3.05Å; K1104-S1106 PolarHBondContact O-N 3.06Å; K1104-S1107 CarbonylContact O-C 3.55Å; K1104-S1107 WeakPolarHBondContact O-CA 3.49Å; K1104-S1107 WeakPolarHBondContact O-CB 3.31Å; K1104-S1107 PolarHBondContact O-N 2.92Å; K1104-T1108 PolarHBondContact O-N 2.88Å; K1104-T1108 PolarHBondContact O-OG1 2.75Å
1105	E	67.8	Low	71.6	Confident	138 Å²	138	105.9 Å²	105.9	65%	0.645	56%	0.557	S	S	*	*	H	α-helix	trans	-59.3	-46.7	177.3	-70	179.4	158.4	0	0	110.7	D1101 A1102 S1107 T1108	D1101-E1105 PolarHBondContact O-N 3.01Å; A1102-E1105 PolarHBondContact O-N 3.22Å; E1105-S1107 PolarHBondContact O-N 3.31Å; E1105-S1107 VanDerWaalsContact O-N 3.09Å; E1105-T1108 PolarHBondContact O-N 3.32Å; E1105-T1108 PolarHBondContact O-OG1 2.71Å
1106	S	64	Low	70.5	Confident	82 Å²	82	107.1 Å²	107.1	57%	0.573	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-1.5	173.6	72.2	0	0	0	0	115	A1102 C1103 K1104	A1102-S1106 WeakPolarHBondContact O-CB 3.27Å; A1102-S1106 PolarHBondContact O-N 3.11Å; A1102-S1106 PolarHBondContact O-OG 2.86Å; C1103-S1106 WeakPolarHBondContact CA-OG 3.48Å; C1103-S1106 PolarHBondContact O-OG 3.32Å; C1103-S1106 VanDerWaalsContact O-OG 3.14Å; K1104-S1106 PolarHBondContact O-N 3.06Å
1107	S	54.8	Low	69.3	Low	88 Å²	88	108.9 Å²	108.9	62%	0.615	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	9.4	171	-56.2	0	0	0	0	112	C1103 K1104 E1105	C1103-S1107 WeakPolarHBondContact O-CB 3.39Å; C1103-S1107 PolarHBondContact O-N 2.73Å; C1103-S1107 PolarHBondContact O-OG 2.71Å; K1104-S1107 CarbonylContact O-C 3.55Å; K1104-S1107 WeakPolarHBondContact O-CA 3.49Å; K1104-S1107 WeakPolarHBondContact O-CB 3.31Å; K1104-S1107 PolarHBondContact O-N 2.92Å; E1105-S1107 PolarHBondContact O-N 3.31Å; E1105-S1107 VanDerWaalsContact O-N 3.09Å
1108	T	49.8	Very low	68.2	Low	119 Å²	119	110.2 Å²	110.2	73%	0.73	59%	0.588	S	S	*	*			trans	-126.4	3	-179.3	52	0	0	0	0	114.7	K1104 E1105	K1104-T1108 PolarHBondContact O-N 2.88Å; K1104-T1108 PolarHBondContact O-OG1 2.75Å; E1105-T1108 PolarHBondContact O-N 3.32Å; E1105-T1108 PolarHBondContact O-OG1 2.71Å
1109	E	42.1	Very low	66.7	Low	244 Å²	244	109.8 Å²	109.8	100%	1.14	59%	0.593	S	S	*	*			trans	-96.8	0	160.5	-66.1	-166.1	125.9	0	0	110.9

Retrieved 1,109 of 1,109 residues in 744.8 ms (Link to these results)

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