A0A087Y2R3_POEFO Loading...

Calcium-transporting ATPase

Catalyzes the hydrolysis of ATP coupled with the transport of calcium.

AlphaFold DB , UniProt , Accession A0A087Y2R3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,173 aa.

						>A0A087Y2R3_POEFO|A0A087Y2R3
MGDMSNSDFYAKNQRNEGNHEAGFGCSVMELRSLMELRGTEAVVKLQEDYGAVEGLCKRLKTSPTEGLAGVQTDLDKRKELFGKNLIPPKKPKTFLQLVWEALQDVTLIILEIAALISLGLSFYHPPGQTGGDACGAAAGGVEDEGEADAGWIEGAAILLSVVCVVLVTAFNDWSKEKQFRGLQSRIEQEQKFQVVRGSQVIQLPVADIVVGDIAQIKYGDLLPADGVLIQGNDLKIDESSLTGESDHVKKSADKDPMLLSGTHVMEGSGRMVVTAVGVNSQTGIIFTLLGAGVEEEEKKEKKGEAVEDGHQNTDCSHPPNHPIATIATDGAAGINAPGTASLINGKMQDGNMESNQIKVKKPDGAAAMEMQPLKSAEGGEADEKERKKVSAPKKEKSVLQGKLTKLAVQIGKAGLLMSAITVIILVLYFAINNFVLEKRPWMTECTPIYIQYFVKFFIIGVTVLVVAVPEGLPLAVTISLAYSVKKMMKDNNLVRHLDACETMGNATAICSDKTGTLTTNRMTAVQCYVGDVHYKEIPDPGVIPPKSLDLLINAISINSAYTTKILPPDKEGGLPKQVGNKTECGLLGLVLDLKRDYQPIRNQIPEEKLYKVYTFNSVRKSMSTVIKLPEGSFRMYSKGASEIVLKKCSHILNEVGEPRVFRPRDKDEMVKKVIEPMACDGLRTICVAYRDFASDPEPKWDDENNILTDLTAICVVGIEDPVRPEVPDAIQKCQRAGITVRMVTGDNINTARAIAIKCGIIHPGEDFLCIDGKEFNRRIRNEKGEVEQERIDKVWPKLRVLARSSPTDKHTLVKGIIDSTMADQRQVVAVTGDGTNDGPALKKADVGFAMGIAGTDVAKEASDIILTDDNFSSIVKAVMWGRNVYDSISKFLQFQLTVNVVAVIVAFTGACITQDSPLKAVQMLWVNLIMDTFASLALATEPPTEALLRRKPYGRNKPLISSTMTKNILGHAVYQLILIFTLLFAGEKIFDIDSGRNAPLHSPPSEHYTIIFNTFVMMQLFNEINARKIHGERNVFDGIFRNPIFCSIVFGTFAIQIVIVQFGGKPFSCQPLSLEKWLWCVFLGLGELVWGQVIVTIPNSHLRFLRRAGQLTHKDELPEEDVNEENEEIDHAERELRRGQILWFRGLNRIQTQMLEESQLLQSCMFMTTMTD
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.7	Very low	30.6	Very low	253 Å²	253	132.9 Å²	132.9	100%	1.246	73%	0.731	S	S	*	*				0	129.1	0	-90.1	179.2	166.6	0	0	108.4
2	G	30.4	Very low	30.6	Very low	77 Å²	77	136.1 Å²	136.1	79%	0.794	73%	0.732	S	S	*	*			trans	122.2	46.3	-170.7	0	0	0	0	0	112.7
3	D	30.7	Very low	30.9	Very low	167 Å²	167	134.9 Å²	134.9	89%	0.893	73%	0.726	S	S	*	*			trans	-70.9	124.8	166.8	-85.1	-53.4	0	0	0	109.3
4	M	26.8	Very low	31	Very low	161 Å²	161	137.9 Å²	137.9	79%	0.793	73%	0.733	S	S	*	*			trans	-124	113.4	161.8	-74.3	-166.9	73.5	0	0	108.3
5	S	29.8	Very low	31.2	Very low	82 Å²	82	143.9 Å²	143.9	57%	0.573	74%	0.741	S	S	*	*			trans	-65.9	140.3	178.5	44.5	0	0	0	0	111.6	S7	S5-S7 PolarHBondContact O-N 3.08Å; S5-S7 PolarHBondContact OG-OG 3.38Å; S5-S7 VanDerWaalsContact OG-OG 3.09Å
6	N	32.9	Very low	31.6	Very low	137 Å²	137	141.2 Å²	141.2	73%	0.733	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	1.5	179.9	-76.4	-52.6	0	0	0	114.8
7	S	29.5	Very low	31.8	Very low	68 Å²	68	145.4 Å²	145.4	48%	0.476	74%	0.744	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.5	-37.5	176.3	47	0	0	0	0	113.3	S5 F9 Y10	S5-S7 PolarHBondContact O-N 3.08Å; S5-S7 PolarHBondContact OG-OG 3.38Å; S5-S7 VanDerWaalsContact OG-OG 3.09Å; S7-F9 VanDerWaalsContact C-N 3.32Å; S7-F9 PolarHBondContact O-N 3.02Å; S7-Y10 PolarHBondContact O-N 2.81Å
8	D	26.8	Very low	32.3	Very low	88 Å²	88	140.2 Å²	140.2	47%	0.471	73%	0.732	S	S	.	*	H	α-helix	trans	-80.7	-15	-162.3	-69.5	15.5	0	0	0	113.4
9	F	34.1	Very low	32.7	Very low	177 Å²	177	136.1 Å²	136.1	78%	0.776	71%	0.712	S	S	*	*	H	α-helix	trans	-76.5	-27.3	179.4	-145.7	-89.6	0	0	0	112.7	S7	S7-F9 VanDerWaalsContact C-N 3.32Å; S7-F9 PolarHBondContact O-N 3.02Å
10	Y	34.1	Very low	33.3	Very low	183 Å²	183	137.3 Å²	137.3	72%	0.718	71%	0.713	S	S	*	*	H	α-helix	trans	-85.1	-37	176.6	-83.7	-88.8	0	0	0	112.6	S7 K12 N13	S7-Y10 PolarHBondContact O-N 2.81Å; Y10-K12 VanDerWaalsContact C-N 3.3Å; Y10-K12 PolarHBondContact O-N 3.02Å; Y10-N13 PolarHBondContact O-N 2.94Å
11	A	27.1	Very low	33.7	Very low	69 Å²	69	139.8 Å²	139.8	57%	0.57	72%	0.721	S	S	*	*	H	α-helix	trans	-66.8	-27.4	-177.7	0	0	0	0	0	113.9	N13	A11-N13 VanDerWaalsContact C-N 3.35Å; A11-N13 PolarHBondContact O-N 3.01Å
12	K	30.2	Very low	34.3	Very low	171 Å²	171	129.5 Å²	129.5	74%	0.743	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-74.7	-15.6	-177.8	-98.3	177.2	174.5	174	0	115.5	Y10	Y10-K12 VanDerWaalsContact C-N 3.3Å; Y10-K12 PolarHBondContact O-N 3.02Å
13	N	35.1	Very low	35.9	Very low	121 Å²	121	127.8 Å²	127.8	65%	0.647	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-88	-3.3	178.2	-86	-5.2	0	0	0	114.6	Y10 A11	Y10-N13 PolarHBondContact O-N 2.94Å; A11-N13 VanDerWaalsContact C-N 3.35Å; A11-N13 PolarHBondContact O-N 3.01Å
14	Q	32.4	Very low	38.1	Very low	177 Å²	177	120.7 Å²	120.7	83%	0.827	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-104.3	5.5	179.3	-75.6	-172.9	-13.7	0	0	114.8
15	R	33.3	Very low	40.5	Very low	228 Å²	228	114.5 Å²	114.5	86%	0.86	60%	0.597	S	S	*	*			trans	-128.7	88.1	170.5	-82	-175.2	170.2	174.1	-2.5	110.3
16	N	38.1	Very low	43	Very low	100 Å²	100	111.1 Å²	111.1	54%	0.535	57%	0.573	S	S	.	*			trans	-149.1	41.6	173.6	-124	4.3	0	0	0	113.4	G18	N16-G18 PolarHBondContact O-N 3.36Å
17	E	35.3	Very low	45.5	Very low	212 Å²	212	106.3 Å²	106.3	99%	0.991	55%	0.551	S	S	*	*	S	Bend	trans	-73.8	37.5	167.8	-68.5	-169.5	133	0	0	112.7
18	G	40	Very low	48.2	Very low	52 Å²	52	104.9 Å²	104.9	54%	0.536	54%	0.539	S	S	.	.			trans	-165.8	63.1	-172.2	0	0	0	0	0	112.6	N16	N16-G18 PolarHBondContact O-N 3.36Å
19	N	40.7	Very low	50.9	Low	63 Å²	63	106.9 Å²	106.9	34%	0.337	55%	0.547	S	S	.	.			trans	-126	20.3	-177.7	-132.6	3.2	0	0	0	114.8	E21	N19-E21 PolarHBondContact O-N 3.04Å
20	H	43.5	Very low	53.4	Low	159 Å²	159	102.2 Å²	102.2	74%	0.736	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-72.6	-10.3	167.2	-79.1	-48.7	0	0	0	113.4	A22	H20-A22 VanDerWaalsContact C-N 3.31Å; H20-A22 PolarHBondContact O-N 3.03Å
21	E	41.7	Very low	55.9	Low	190 Å²	190	93.6 Å²	93.6	89%	0.888	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-77.3	-10.9	-178	-63.2	-162.3	136.6	0	0	114.4	N19 G23	N19-E21 PolarHBondContact O-N 3.04Å; E21-G23 VanDerWaalsContact C-N 3.31Å; E21-G23 PolarHBondContact O-N 2.89Å
22	A	47.5	Very low	58.7	Low	38 Å²	38	94.6 Å²	94.6	31%	0.314	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-84.2	3.1	-176.8	0	0	0	0	0	115.1	H20 F24 L81	H20-A22 VanDerWaalsContact C-N 3.31Å; H20-A22 PolarHBondContact O-N 3.03Å; A22-F24 VanDerWaalsContact C-N 3.28Å; A22-F24 PolarHBondContact O-N 3.01Å; A22-L81 HydrophobicContact CB-CD1 3.78Å; A22-L81 HydrophobicContact CB-CD2 3.61Å; A22-L81 HydrophobicContact CB-CG 4.37Å
23	G	63.8	Low	61.3	Low	41 Å²	41	89.2 Å²	89.2	42%	0.423	47%	0.467	S	S	.	.	S	Bend	trans	73.1	8	172.8	0	0	0	0	0	116.3	E21 K61	E21-G23 VanDerWaalsContact C-N 3.31Å; E21-G23 PolarHBondContact O-N 2.89Å; G23-K61 WeakPolarHBondContact O-CE 3.39Å; G23-K61 PolarHBondContact O-NZ 2.86Å
24	F	77.5	Confident	63.8	Low	18 Å²	18	83.5 Å²	83.5	8%	0.079	44%	0.436	C	S	.	.			trans	-105.3	150	165.5	-65	-78.5	0	0	0	109.8	A22 C26 K61 R78 L81 F82	A22-F24 VanDerWaalsContact C-N 3.28Å; A22-F24 PolarHBondContact O-N 3.01Å; F24-C26 VanDerWaalsContact C-N 3.31Å; F24-C26 PolarHBondContact O-N 3.26Å; F24-K61 HydrophobicContact CD1-CB 4.42Å; F24-K61 HydrophobicContact CD1-CD 4.18Å; F24-K61 HydrophobicContact CD1-CG 4.34Å; F24-K61 HydrophobicContact CE1-CB 4.24Å; F24-K61 HydrophobicContact CE1-CD 4.13Å; F24-K61 HydrophobicContact CE1-CG 4.48Å; F24-R78 HydrophobicContact CZ-CG 4.12Å; F24-L81 HydrophobicContact CD2-CD1 3.71Å; F24-L81 HydrophobicContact CE2-CD1 3.77Å; F24-F82 HydrophobicContact CB-CZ 4.19Å; F24-F82 HydrophobicContact CD2-CE2 4.19Å; F24-F82 HydrophobicContact CG-CE2 4.28Å; F24-F82 HydrophobicContact CG-CZ 4.33Å
25	G	77.5	Confident	66.4	Low	30 Å²	30	75.1 Å²	75.1	31%	0.309	40%	0.397	S	S	.	.	S	Bend	trans	-86	7.4	-174.9	0	0	0	0	0	115.5	R59	G25-R59 PolarHBondContact N-O 2.92Å; G25-R59 WeakPolarHBondContact O-CD 3.39Å
26	C	81.7	Confident	68.9	Low	11 Å²	11	68.6 Å²	68.6	7%	0.074	38%	0.376	C	S	.	.			trans	-139.8	141.2	-176.8	-56.3	0	0	0	0	110.3	F24 L31 R59 L60	F24-C26 VanDerWaalsContact C-N 3.31Å; F24-C26 PolarHBondContact O-N 3.26Å; C26-L31 HydrophobicContact CB-CD1 4.19Å; C26-L31 HydrophobicContact CB-CD2 4.17Å; C26-L31 HydrophobicContact CB-CG 4.09Å; C26-R59 WeakPolarHBondContact SG-CB 3.48Å; C26-L60 HydrophobicContact CB-CD2 4.25Å
27	S	85.2	Confident	71.1	Confident	36 Å²	36	65.8 Å²	65.8	25%	0.252	36%	0.361	S	S	.	.			trans	-92.9	164.6	170.9	71.3	0	0	0	0	112.3	M29 E30 L31	S27-M29 VanDerWaalsContact C-N 3.33Å; S27-M29 PolarHBondContact O-N 3.49Å; S27-E30 VanDerWaalsContact CB-OE2 3.25Å; S27-E30 WeakPolarHBondContact CB-OE2 3.44Å; S27-E30 PolarHBondContact N-OE2 3.11Å; S27-E30 VanDerWaalsContact OG-CD 3.28Å; S27-E30 VanDerWaalsContact OG-CG 3.26Å; S27-E30 WeakPolarHBondContact OG-CG 3.02Å; S27-E30 PolarHBondContact OG-N 3.13Å; S27-E30 PolarHBondContact OG-OE2 3.28Å; S27-L31 WeakPolarHBondContact O-CG 3.41Å; S27-L31 PolarHBondContact O-N 2.88Å
28	V	86.1	Confident	73.3	Confident	39 Å²	39	59.5 Å²	59.5	24%	0.236	33%	0.328	C	S	.	.	H	α-helix	trans	-63.6	-38	177	-172	0	0	0	0	112	R32 L81 F82 N280	V28-R32 VanDerWaalsContact O-CB 3.32Å; V28-R32 WeakPolarHBondContact O-CB 3.29Å; V28-R32 PolarHBondContact O-N 3.04Å; V28-L81 WeakPolarHBondContact CG2-O 3.3Å; V28-F82 HydrophobicContact CG2-CD1 3.99Å; V28-N280 HydrophobicContact CG1-CB 4.48Å
29	M	83.4	Confident	75.3	Confident	129 Å²	129	58 Å²	58	64%	0.635	31%	0.312	S	S	*	.	H	α-helix	trans	-68.9	-43.2	-179.5	-71.7	-173.9	178	0	0	111.7	S27 L31 R32 S33	S27-M29 VanDerWaalsContact C-N 3.33Å; S27-M29 PolarHBondContact O-N 3.49Å; M29-L31 PolarHBondContact O-N 2.91Å; M29-R32 PolarHBondContact O-N 2.79Å; M29-S33 PolarHBondContact O-N 2.69Å; M29-S33 PolarHBondContact O-OG 2.92Å
30	E	86.6	Confident	77.3	Confident	79 Å²	79	59.6 Å²	59.6	37%	0.369	33%	0.325	S	S	.	.	H	α-helix	trans	-60.5	-43.6	176.2	-70.2	163.3	129.3	0	0	112	S27 L34	S27-E30 VanDerWaalsContact CB-OE2 3.25Å; S27-E30 WeakPolarHBondContact CB-OE2 3.44Å; S27-E30 PolarHBondContact N-OE2 3.11Å; S27-E30 VanDerWaalsContact OG-CD 3.28Å; S27-E30 VanDerWaalsContact OG-CG 3.26Å; S27-E30 WeakPolarHBondContact OG-CG 3.02Å; S27-E30 PolarHBondContact OG-N 3.13Å; S27-E30 PolarHBondContact OG-OE2 3.28Å; E30-L34 WeakPolarHBondContact O-CB 3.49Å; E30-L34 PolarHBondContact O-N 2.82Å
31	L	87.2	Confident	79.3	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-67.4	-36.2	177.2	-66.5	171.5	0	0	0	112.3	C26 S27 M29 L34 M35 L56 L60 F82 V211 T275	C26-L31 HydrophobicContact CB-CD1 4.19Å; C26-L31 HydrophobicContact CB-CD2 4.17Å; C26-L31 HydrophobicContact CB-CG 4.09Å; S27-L31 WeakPolarHBondContact O-CG 3.41Å; S27-L31 PolarHBondContact O-N 2.88Å; M29-L31 PolarHBondContact O-N 2.91Å; L31-L34 WeakPolarHBondContact O-CB 3.13Å; L31-L34 PolarHBondContact O-N 3.25Å; L31-M35 WeakPolarHBondContact O-CG 3.47Å; L31-M35 PolarHBondContact O-N 3.48Å; L31-L56 HydrophobicContact CD2-CD1 3.88Å; L31-L60 HydrophobicContact CD1-CD2 4.08Å; L31-F82 HydrophobicContact CD1-CD1 3.87Å; L31-F82 HydrophobicContact CD1-CE1 3.63Å; L31-V211 HydrophobicContact CD1-CG1 3.9Å; L31-T275 HydrophobicContact CD2-CG2 4.32Å
32	R	85.4	Confident	81.3	Confident	91 Å²	91	49.2 Å²	49.2	34%	0.343	28%	0.276	S	S	.	.	H	α-helix	trans	-65.8	-50.5	175.6	175.8	178.6	166.6	156	1.7	111.6	V28 M29 L34 M35 E36 I285	V28-R32 VanDerWaalsContact O-CB 3.32Å; V28-R32 WeakPolarHBondContact O-CB 3.29Å; V28-R32 PolarHBondContact O-N 3.04Å; M29-R32 PolarHBondContact O-N 2.79Å; R32-L34 PolarHBondContact O-N 2.75Å; R32-M35 WeakPolarHBondContact O-CA 3.42Å; R32-M35 PolarHBondContact O-N 2.99Å; R32-E36 IonicContact NE-OE1 2.62Å; R32-E36 PolarHBondContact O-N 3.39Å; R32-I285 HydrophobicContact CG-CD1 4.14Å; R32-I285 VanDerWaalsContact CZ-CD1 3.42Å
33	S	85.3	Confident	83.1	Confident	57 Å²	57	49.2 Å²	49.2	40%	0.399	27%	0.273	S	S	.	.	H	α-helix	trans	-65.1	-27.9	177.9	-66.6	0	0	0	0	112.6	M29 M35 E36	M29-S33 PolarHBondContact O-N 2.69Å; M29-S33 PolarHBondContact O-OG 2.92Å; S33-M35 VanDerWaalsContact C-N 3.31Å; S33-M35 PolarHBondContact O-N 3.17Å; S33-E36 PolarHBondContact O-N 2.99Å
34	L	86.9	Confident	84.2	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-62.4	-37.6	169.2	-173.5	65.6	0	0	0	112	E30 L31 R32 E36 L37 K45 L46 Y50 L56 V228	E30-L34 WeakPolarHBondContact O-CB 3.49Å; E30-L34 PolarHBondContact O-N 2.82Å; L31-L34 WeakPolarHBondContact O-CB 3.13Å; L31-L34 PolarHBondContact O-N 3.25Å; R32-L34 PolarHBondContact O-N 2.75Å; L34-E36 VanDerWaalsContact C-N 3.28Å; L34-E36 PolarHBondContact O-N 3.38Å; L34-L37 PolarHBondContact O-N 3.34Å; L34-K45 HydrophobicContact CD1-CB 4.32Å; L34-K45 HydrophobicContact CD1-CG 3.94Å; L34-L46 HydrophobicContact CD1-CD2 4.22Å; L34-L46 HydrophobicContact CD1-CG 4.21Å; L34-L46 HydrophobicContact CD2-CD2 4.02Å; L34-Y50 HydrophobicContact CD1-CE2 4.27Å; L34-Y50 HydrophobicContact CD2-CE2 4.15Å; L34-L56 HydrophobicContact CD2-CD2 4.19Å; L34-V228 HydrophobicContact CD2-CG2 4.47Å
35	M	87.9	Confident	84.5	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-4.7	177.8	-63	-56.9	95.7	0	0	114.3	L31 R32 S33 R38 D226 V228 M258 T275 A276 Q282	L31-M35 WeakPolarHBondContact O-CG 3.47Å; L31-M35 PolarHBondContact O-N 3.48Å; R32-M35 WeakPolarHBondContact O-CA 3.42Å; R32-M35 PolarHBondContact O-N 2.99Å; S33-M35 VanDerWaalsContact C-N 3.31Å; S33-M35 PolarHBondContact O-N 3.17Å; M35-R38 PolarHBondContact O-NH1 3.35Å; M35-D226 HydrophobicContact CG-CB 3.81Å; M35-D226 HydrophobicContact SD-CB 3.79Å; M35-V228 HydrophobicContact CE-CG2 3.79Å; M35-M258 HydrophobicContact CE-CE 4.19Å; M35-M258 HydrophobicContact CE-SD 3.45Å; M35-M258 WeakPolarHBondContact CE-SD 3.47Å; M35-M258 HydrophobicContact SD-SD 4.21Å; M35-T275 HydrophobicContact CE-CG2 4.09Å; M35-T275 PolarHBondContact SD-OG1 2.92Å; M35-A276 HydrophobicContact CG-CB 4.39Å; M35-Q282 HydrophobicContact CB-CG 4.28Å; M35-Q282 PolarHBondContact O-NE2 3Å
36	E	84.8	Confident	84.9	Confident	91 Å²	91	52.6 Å²	52.6	43%	0.425	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-23.4	172.9	-68.2	166.7	176.7	0	0	111.3	R32 S33 L34 Q282	R32-E36 IonicContact NE-OE1 2.62Å; R32-E36 PolarHBondContact O-N 3.39Å; S33-E36 PolarHBondContact O-N 2.99Å; L34-E36 VanDerWaalsContact C-N 3.28Å; L34-E36 PolarHBondContact O-N 3.38Å; E36-Q282 VanDerWaalsContact CG-NE2 3.33Å
37	L	85.4	Confident	85.1	Confident	41 Å²	41	57.7 Å²	57.7	22%	0.215	30%	0.296	C	S	.	.			trans	-79.7	157.9	-179.1	-58.6	175.5	0	0	0	113.1	L34 A42 K45	L34-L37 PolarHBondContact O-N 3.34Å; L37-A42 HydrophobicContact CB-CB 3.84Å; L37-K45 HydrophobicContact CD1-CB 3.49Å; L37-K45 VanDerWaalsContact CD1-CB 3.49Å; L37-K45 HydrophobicContact CD1-CD 3.71Å; L37-K45 HydrophobicContact CD1-CG 3.39Å
38	R	81.4	Confident	85.1	Confident	81 Å²	81	63 Å²	63	31%	0.306	32%	0.317	S	S	.	.			trans	-136.6	154.6	179.8	-64.5	-67.2	177.2	-88.2	-4.2	112	M35 T40 E41 A42 L260	M35-R38 PolarHBondContact O-NH1 3.35Å; R38-T40 PolarHBondContact O-N 3.07Å; R38-E41 PolarHBondContact O-N 3.26Å; R38-A42 PolarHBondContact O-N 3.18Å; R38-L260 VanDerWaalsContact NH2-CD1 3.32Å
39	G	82.6	Confident	84.9	Confident	19 Å²	19	64.1 Å²	64.1	20%	0.196	32%	0.322	C	S	.	.	H	α-helix	trans	55.3	-134	169.1	0	0	0	0	0	113.8	E41 A42 V43 K255 D256	G39-E41 VanDerWaalsContact C-N 3.3Å; G39-E41 PolarHBondContact O-N 2.81Å; G39-A42 PolarHBondContact O-N 2.92Å; G39-V43 PolarHBondContact O-N 3.03Å; G39-K255 CarbonylContact C-O 3.58Å; G39-K255 WeakPolarHBondContact CA-O 3.31Å; G39-D256 PolarHBondContact N-OD1 2.86Å
40	T	81.8	Confident	84.9	Confident	97 Å²	97	58.7 Å²	58.7	60%	0.595	29%	0.294	S	S	*	.	H	α-helix	trans	-64.7	-29.6	-176.1	44.6	0	0	0	0	113.9	R38 V43 V44 K255	R38-T40 PolarHBondContact O-N 3.07Å; T40-V43 PolarHBondContact O-N 3.36Å; T40-V44 WeakPolarHBondContact O-CG2 3.35Å; T40-V44 PolarHBondContact O-N 2.85Å; T40-K255 PolarHBondContact N-O 2.72Å
41	E	85.2	Confident	84.4	Confident	131 Å²	131	57 Å²	57	61%	0.612	30%	0.298	S	S	*	.	H	α-helix	trans	-66.6	-41	177.7	-63	177.6	178.4	0	0	111	R38 G39 V43 V44 K45	R38-E41 PolarHBondContact O-N 3.26Å; G39-E41 VanDerWaalsContact C-N 3.3Å; G39-E41 PolarHBondContact O-N 2.81Å; E41-V43 VanDerWaalsContact C-N 3.33Å; E41-V43 PolarHBondContact O-N 2.99Å; E41-V44 PolarHBondContact O-N 3.32Å; E41-K45 WeakPolarHBondContact O-CB 3.47Å; E41-K45 PolarHBondContact O-N 2.83Å
42	A	84.6	Confident	84.3	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.8	-36.1	174.9	0	0	0	0	0	112.2	L37 R38 G39 L46 M258	L37-A42 HydrophobicContact CB-CB 3.84Å; R38-A42 PolarHBondContact O-N 3.18Å; G39-A42 PolarHBondContact O-N 2.92Å; A42-L46 WeakPolarHBondContact O-CB 3.35Å; A42-L46 VanDerWaalsContact O-CG 3.27Å; A42-L46 WeakPolarHBondContact O-CG 3.46Å; A42-L46 PolarHBondContact O-N 2.93Å; A42-M258 HydrophobicContact CB-CE 4.01Å; A42-M258 HydrophobicContact CB-CG 3.62Å; A42-M258 HydrophobicContact CB-SD 4.06Å
43	V	85.4	Confident	84.3	Confident	39 Å²	39	55.2 Å²	55.2	24%	0.236	30%	0.3	C	S	.	.	H	α-helix	trans	-65.3	-45.9	175.2	178.3	0	0	0	0	111.3	G39 T40 E41 L46 Q47 P257	G39-V43 PolarHBondContact O-N 3.03Å; T40-V43 PolarHBondContact O-N 3.36Å; E41-V43 VanDerWaalsContact C-N 3.33Å; E41-V43 PolarHBondContact O-N 2.99Å; V43-L46 PolarHBondContact O-N 3.04Å; V43-Q47 PolarHBondContact O-N 3.28Å; V43-P257 HydrophobicContact CG2-CG 3.95Å
44	V	85.9	Confident	84.3	Confident	74 Å²	74	59.9 Å²	59.9	45%	0.448	32%	0.316	S	S	.	.	H	α-helix	trans	-61.6	-48.4	177	172.8	0	0	0	0	110.4	T40 E41 L46 Q47 E48	T40-V44 WeakPolarHBondContact O-CG2 3.35Å; T40-V44 PolarHBondContact O-N 2.85Å; E41-V44 PolarHBondContact O-N 3.32Å; V44-L46 PolarHBondContact O-N 3.08Å; V44-Q47 WeakPolarHBondContact O-CB 3.46Å; V44-Q47 PolarHBondContact O-N 3.18Å; V44-E48 HydrophobicContact CG1-CG 4.21Å; V44-E48 WeakPolarHBondContact O-CG 3.36Å; V44-E48 PolarHBondContact O-N 2.99Å
45	K	84.6	Confident	84.2	Confident	80 Å²	80	60.5 Å²	60.5	35%	0.348	32%	0.323	S	S	.	.	H	α-helix	trans	-56.5	-44.8	176.7	-164.3	82.8	166.5	149.4	0	112.8	L34 L37 E41 Q47 D49	L34-K45 HydrophobicContact CD1-CB 4.32Å; L34-K45 HydrophobicContact CD1-CG 3.94Å; L37-K45 HydrophobicContact CD1-CB 3.49Å; L37-K45 VanDerWaalsContact CD1-CB 3.49Å; L37-K45 HydrophobicContact CD1-CD 3.71Å; L37-K45 HydrophobicContact CD1-CG 3.39Å; E41-K45 WeakPolarHBondContact O-CB 3.47Å; E41-K45 PolarHBondContact O-N 2.83Å; K45-Q47 VanDerWaalsContact C-N 3.29Å; K45-Q47 PolarHBondContact O-N 3.45Å; K45-D49 WeakPolarHBondContact CD-OD2 3.39Å; K45-D49 WeakPolarHBondContact CE-OD2 3.39Å; K45-D49 IonicContact NZ-OD2 2.71Å; K45-D49 PolarHBondContact NZ-OD2 2.93Å; K45-D49 WeakPolarHBondContact O-CB 3.45Å; K45-D49 PolarHBondContact O-N 2.93Å
46	L	86.3	Confident	84.2	Confident	6 Å²	6	60.5 Å²	60.5	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-61.4	-36.8	175	-80.8	167.4	0	0	0	112.4	L34 A42 V43 V44 Y50 G51 A52 V53 L56 V228 P257 M258	L34-L46 HydrophobicContact CD1-CD2 4.22Å; L34-L46 HydrophobicContact CD1-CG 4.21Å; L34-L46 HydrophobicContact CD2-CD2 4.02Å; A42-L46 WeakPolarHBondContact O-CB 3.35Å; A42-L46 VanDerWaalsContact O-CG 3.27Å; A42-L46 WeakPolarHBondContact O-CG 3.46Å; A42-L46 PolarHBondContact O-N 2.93Å; V43-L46 PolarHBondContact O-N 3.04Å; V44-L46 PolarHBondContact O-N 3.08Å; L46-Y50 WeakPolarHBondContact O-CB 3.49Å; L46-Y50 PolarHBondContact O-N 2.94Å; L46-G51 PolarHBondContact O-N 3.45Å; L46-A52 PolarHBondContact O-N 2.97Å; L46-V53 HydrophobicContact CD1-CG2 4.48Å; L46-L56 HydrophobicContact CD2-CD2 4.06Å; L46-V228 HydrophobicContact CD1-CG1 3.77Å; L46-V228 HydrophobicContact CD2-CG1 4.27Å; L46-V228 HydrophobicContact CD2-CG2 4.46Å; L46-P257 HydrophobicContact CD1-CB 4.45Å; L46-P257 HydrophobicContact CD1-CG 3.7Å; L46-M258 HydrophobicContact CD1-CE 3.71Å; L46-M258 HydrophobicContact CG-CE 4.46Å
47	Q	84.8	Confident	84.3	Confident	118 Å²	118	56.2 Å²	56.2	55%	0.551	30%	0.303	S	S	*	.	H	α-helix	trans	-74.3	-44.8	-179.7	-166.3	61.9	29.2	0	0	111.9	V43 V44 K45 G51	V43-Q47 PolarHBondContact O-N 3.28Å; V44-Q47 WeakPolarHBondContact O-CB 3.46Å; V44-Q47 PolarHBondContact O-N 3.18Å; K45-Q47 VanDerWaalsContact C-N 3.29Å; K45-Q47 PolarHBondContact O-N 3.45Å; Q47-G51 WeakPolarHBondContact O-CA 3.42Å; Q47-G51 PolarHBondContact O-N 3.22Å; Q47-G51 VanDerWaalsContact O-N 3.14Å
48	E	84.9	Confident	84.4	Confident	146 Å²	146	62.4 Å²	62.4	68%	0.682	33%	0.328	S	S	*	.	H	α-helix	trans	-73.9	-56.5	-177.6	-68.1	179.6	161.7	0	0	112.4	V44	V44-E48 HydrophobicContact CG1-CG 4.21Å; V44-E48 WeakPolarHBondContact O-CG 3.36Å; V44-E48 PolarHBondContact O-N 2.99Å
49	D	82.3	Confident	84.7	Confident	64 Å²	64	63.1 Å²	63.1	34%	0.342	33%	0.331	S	S	.	.	H	α-helix	trans	-78	-25.2	-171.4	-71.6	-23.6	0	0	0	112.4	K45 R59	K45-D49 WeakPolarHBondContact CD-OD2 3.39Å; K45-D49 WeakPolarHBondContact CE-OD2 3.39Å; K45-D49 IonicContact NZ-OD2 2.71Å; K45-D49 PolarHBondContact NZ-OD2 2.93Å; K45-D49 WeakPolarHBondContact O-CB 3.45Å; K45-D49 PolarHBondContact O-N 2.93Å; D49-R59 PolarHBondContact O-NH1 2.86Å; D49-R59 PolarHBondContact O-NH2 3.2Å
50	Y	82.5	Confident	85	Confident	14 Å²	14	62.2 Å²	62.2	6%	0.055	32%	0.322	C	S	.	.	H	α-helix	trans	-124.9	-18.4	-170.9	-59.5	-87.6	0	0	0	115.5	L34 L46 G55 L56	L34-Y50 HydrophobicContact CD1-CE2 4.27Å; L34-Y50 HydrophobicContact CD2-CE2 4.15Å; L46-Y50 WeakPolarHBondContact O-CB 3.49Å; L46-Y50 PolarHBondContact O-N 2.94Å; Y50-G55 WeakPolarHBondContact O-CA 3.36Å; Y50-L56 HydrophobicContact CD1-CB 4.28Å; Y50-L56 HydrophobicContact CD1-CD1 3.75Å; Y50-L56 HydrophobicContact CE1-CD1 3.79Å; Y50-L56 HydrophobicContact CG-CB 4.41Å; Y50-L56 HydrophobicContact CG-CD1 4.41Å
51	G	78	Confident	85.4	Confident	44 Å²	44	64 Å²	64	45%	0.454	32%	0.321	S	S	.	.	S	Bend	trans	71.7	46	-173.9	0	0	0	0	0	112.8	L46 Q47	L46-G51 PolarHBondContact O-N 3.45Å; Q47-G51 WeakPolarHBondContact O-CA 3.42Å; Q47-G51 PolarHBondContact O-N 3.22Å; Q47-G51 VanDerWaalsContact O-N 3.14Å
52	A	83.7	Confident	85.6	Confident	31 Å²	31	58.2 Å²	58.2	26%	0.256	30%	0.295	S	S	.	.	H	α-helix	trans	72.6	176.1	-174.3	0	0	0	0	0	115.4	L46 E54 G55 L56	L46-A52 PolarHBondContact O-N 2.97Å; A52-E54 PolarHBondContact O-N 2.85Å; A52-G55 PolarHBondContact O-N 2.92Å; A52-L56 PolarHBondContact O-N 3.4Å
53	V	84.9	Confident	85.8	Confident	24 Å²	24	59.7 Å²	59.7	15%	0.145	31%	0.305	C	S	.	.	H	α-helix	trans	-59.5	-31.9	-174.5	-171.1	0	0	0	0	112.5	L46 L56 C57 V228 I230 V273	L46-V53 HydrophobicContact CD1-CG2 4.48Å; V53-L56 PolarHBondContact O-N 3.36Å; V53-C57 PolarHBondContact O-N 2.9Å; V53-C57 PolarHBondContact O-SG 2.84Å; V53-V228 HydrophobicContact CG1-CG1 4.09Å; V53-V228 HydrophobicContact CG2-CG1 3.84Å; V53-I230 HydrophobicContact CG1-CG1 3.8Å; V53-V273 HydrophobicContact CG1-CG1 4.25Å
54	E	86.1	Confident	85.8	Confident	155 Å²	155	59.6 Å²	59.6	72%	0.724	31%	0.305	S	S	*	.	H	α-helix	trans	-64.5	-39.5	174.7	-61.7	-177.4	167.4	0	0	112.1	A52 C57 K58	A52-E54 PolarHBondContact O-N 2.85Å; E54-C57 PolarHBondContact O-N 2.7Å; E54-K58 WeakPolarHBondContact O-CB 3.25Å; E54-K58 PolarHBondContact O-N 3.19Å
55	G	85.7	Confident	85.8	Confident	16 Å²	16	60.6 Å²	60.6	17%	0.165	31%	0.312	C	S	.	.	H	α-helix	trans	-68.2	-38.2	175.6	0	0	0	0	0	112.8	Y50 A52 K58 R59	Y50-G55 WeakPolarHBondContact O-CA 3.36Å; A52-G55 PolarHBondContact O-N 2.92Å; G55-K58 WeakPolarHBondContact O-CB 3.43Å; G55-K58 PolarHBondContact O-N 3.27Å; G55-R59 WeakPolarHBondContact O-CG 3.42Å; G55-R59 PolarHBondContact O-N 3.45Å
56	L	87.3	Confident	85.8	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59.6	-47.6	170	177.5	62.6	0	0	0	111.3	L31 L34 L46 Y50 A52 V53 K58 R59 L60 V228 V273 T275	L31-L56 HydrophobicContact CD2-CD1 3.88Å; L34-L56 HydrophobicContact CD2-CD2 4.19Å; L46-L56 HydrophobicContact CD2-CD2 4.06Å; Y50-L56 HydrophobicContact CD1-CB 4.28Å; Y50-L56 HydrophobicContact CD1-CD1 3.75Å; Y50-L56 HydrophobicContact CE1-CD1 3.79Å; Y50-L56 HydrophobicContact CG-CB 4.41Å; Y50-L56 HydrophobicContact CG-CD1 4.41Å; A52-L56 PolarHBondContact O-N 3.4Å; V53-L56 PolarHBondContact O-N 3.36Å; L56-K58 VanDerWaalsContact C-N 3.32Å; L56-K58 PolarHBondContact O-N 2.87Å; L56-R59 PolarHBondContact O-N 2.98Å; L56-L60 HydrophobicContact CD1-CD1 4.12Å; L56-L60 HydrophobicContact CD1-CG 4.38Å; L56-L60 HydrophobicContact CG-CD1 4.22Å; L56-L60 WeakPolarHBondContact O-CG 3.21Å; L56-L60 PolarHBondContact O-N 3.5Å; L56-V228 HydrophobicContact CD2-CB 4.32Å; L56-V228 HydrophobicContact CD2-CG2 3.82Å; L56-V273 HydrophobicContact CD2-CG1 4.19Å; L56-T275 HydrophobicContact CD2-CG2 4.09Å
57	C	87.5	Confident	85.9	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-59.4	-42	176	-66.8	0	0	0	0	111.9	V53 E54 R59 L60 K61 T62 P64	V53-C57 PolarHBondContact O-N 2.9Å; V53-C57 PolarHBondContact O-SG 2.84Å; E54-C57 PolarHBondContact O-N 2.7Å; C57-R59 PolarHBondContact O-N 3.35Å; C57-L60 CarbonylContact O-C 3.14Å; C57-L60 PolarHBondContact O-N 2.83Å; C57-K61 PolarHBondContact O-N 2.9Å; C57-T62 CarbonylContact C-O 3.44Å; C57-T62 HydrophobicContact CB-CG2 3.84Å; C57-T62 PolarHBondContact O-N 2.83Å; C57-P64 HydrophobicContact CB-CG 3.91Å
58	K	87.7	Confident	86.2	Confident	172 Å²	172	56.6 Å²	56.6	75%	0.748	30%	0.296	S	S	*	.	H	α-helix	trans	-61.8	-42.3	176.6	-169.5	178.3	-177.1	178.7	0	112.5	E54 G55 L56 K61	E54-K58 WeakPolarHBondContact O-CB 3.25Å; E54-K58 PolarHBondContact O-N 3.19Å; G55-K58 WeakPolarHBondContact O-CB 3.43Å; G55-K58 PolarHBondContact O-N 3.27Å; L56-K58 VanDerWaalsContact C-N 3.32Å; L56-K58 PolarHBondContact O-N 2.87Å; K58-K61 PolarHBondContact O-N 2.72Å
59	R	87.6	Confident	86.2	Confident	95 Å²	95	53.7 Å²	53.7	36%	0.358	30%	0.297	S	S	.	.	H	α-helix	trans	-68.3	-34.9	176.2	-69.8	-171.3	-172.4	178.8	8.9	112.9	G25 C26 D49 G55 L56 C57 K61	G25-R59 PolarHBondContact N-O 2.92Å; G25-R59 WeakPolarHBondContact O-CD 3.39Å; C26-R59 WeakPolarHBondContact SG-CB 3.48Å; D49-R59 PolarHBondContact O-NH1 2.86Å; D49-R59 PolarHBondContact O-NH2 3.2Å; G55-R59 WeakPolarHBondContact O-CG 3.42Å; G55-R59 PolarHBondContact O-N 3.45Å; L56-R59 PolarHBondContact O-N 2.98Å; C57-R59 PolarHBondContact O-N 3.35Å; R59-K61 PolarHBondContact O-N 3.12Å
60	L	87.9	Confident	86.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	0.3	172.9	-67.7	178.3	0	0	0	114.1	C26 L31 L56 C57 T62 R78 F82 V211 V273	C26-L60 HydrophobicContact CB-CD2 4.25Å; L31-L60 HydrophobicContact CD1-CD2 4.08Å; L56-L60 HydrophobicContact CD1-CD1 4.12Å; L56-L60 HydrophobicContact CD1-CG 4.38Å; L56-L60 HydrophobicContact CG-CD1 4.22Å; L56-L60 WeakPolarHBondContact O-CG 3.21Å; L56-L60 PolarHBondContact O-N 3.5Å; C57-L60 CarbonylContact O-C 3.14Å; C57-L60 PolarHBondContact O-N 2.83Å; L60-T62 VanDerWaalsContact C-N 3.31Å; L60-T62 HydrophobicContact CB-CG2 4.19Å; L60-T62 PolarHBondContact O-N 2.61Å; L60-R78 PolarHBondContact O-NH1 3.15Å; L60-R78 PolarHBondContact O-NH2 2.81Å; L60-F82 HydrophobicContact CD2-CZ 4.35Å; L60-V211 HydrophobicContact CD1-CG1 4.35Å; L60-V211 HydrophobicContact CD2-CG1 3.92Å; L60-V273 HydrophobicContact CD1-CG2 4Å
61	K	89.8	Confident	86.4	Confident	134 Å²	134	55.5 Å²	55.5	58%	0.583	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	47.6	-176	-64.3	178.8	167.3	171.7	0	112.5	G23 F24 C57 K58 R59 R78	G23-K61 WeakPolarHBondContact O-CE 3.39Å; G23-K61 PolarHBondContact O-NZ 2.86Å; F24-K61 HydrophobicContact CD1-CB 4.42Å; F24-K61 HydrophobicContact CD1-CD 4.18Å; F24-K61 HydrophobicContact CD1-CG 4.34Å; F24-K61 HydrophobicContact CE1-CB 4.24Å; F24-K61 HydrophobicContact CE1-CD 4.13Å; F24-K61 HydrophobicContact CE1-CG 4.48Å; C57-K61 PolarHBondContact O-N 2.9Å; K58-K61 PolarHBondContact O-N 2.72Å; R59-K61 PolarHBondContact O-N 3.12Å; K61-R78 PolarHBondContact O-NH2 2.88Å
62	T	90	Very high	86.9	Confident	11 Å²	11	58.5 Å²	58.5	7%	0.067	32%	0.322	C	S	.	.			trans	-126.3	149.2	176.5	-168	0	0	0	0	110.7	C57 L60 L68 G212 I214 V273	C57-T62 CarbonylContact C-O 3.44Å; C57-T62 HydrophobicContact CB-CG2 3.84Å; C57-T62 PolarHBondContact O-N 2.83Å; L60-T62 VanDerWaalsContact C-N 3.31Å; L60-T62 HydrophobicContact CB-CG2 4.19Å; L60-T62 PolarHBondContact O-N 2.61Å; T62-L68 WeakPolarHBondContact OG1-CD2 3.43Å; T62-G212 WeakPolarHBondContact CB-O 3.48Å; T62-G212 WeakPolarHBondContact CG2-O 3.21Å; T62-G212 PolarHBondContact OG1-O 3.24Å; T62-I214 HydrophobicContact CG2-CD1 4.23Å; T62-V273 HydrophobicContact CG2-CG2 4.09Å
63	S	89.9	Confident	87.1	Confident	30 Å²	30	61.7 Å²	61.7	21%	0.21	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-93	127.6	176	175.1	0	0	0	0	110.2	T65 E66 G67 I214	S63-T65 PolarHBondContact O-N 3.32Å; S63-T65 VanDerWaalsContact O-N 3.14Å; S63-T65 PolarHBondContact OG-N 3.41Å; S63-T65 PolarHBondContact OG-OG1 3Å; S63-E66 PolarHBondContact OG-N 2.68Å; S63-E66 VanDerWaalsContact OG-N 3.17Å; S63-G67 PolarHBondContact N-O 2.93Å; S63-G67 VanDerWaalsContact O-CA 3.27Å; S63-G67 WeakPolarHBondContact O-CA 3.1Å; S63-G67 PolarHBondContact O-N 3.2Å; S63-I214 WeakPolarHBondContact O-CG1 3.14Å
64	P	85.4	Confident	87.3	Confident	37 Å²	37	62.8 Å²	62.8	24%	0.24	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.2	176.6	-23.6	32.7	0	0	0	114.2	C57 I230	C57-P64 HydrophobicContact CB-CG 3.91Å; P64-I230 HydrophobicContact CB-CD1 4.47Å; P64-I230 HydrophobicContact CB-CG2 4.27Å
65	T	84.8	Confident	87.4	Confident	96 Å²	96	55.8 Å²	55.8	59%	0.589	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-41.4	-178	48.4	0	0	0	0	113.1	S63 R271	S63-T65 PolarHBondContact O-N 3.32Å; S63-T65 VanDerWaalsContact O-N 3.14Å; S63-T65 PolarHBondContact OG-N 3.41Å; S63-T65 PolarHBondContact OG-OG1 3Å; T65-R271 PolarHBondContact O-NH1 2.91Å
66	E	84.3	Confident	87.6	Confident	107 Å²	107	58.1 Å²	58.1	50%	0.5	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-17.9	-171.6	-50.2	-161.9	127.6	0	0	113.9	S63 G198 S199	S63-E66 PolarHBondContact OG-N 2.68Å; S63-E66 VanDerWaalsContact OG-N 3.17Å; E66-G198 PolarHBondContact O-N 2.97Å; E66-S199 WeakPolarHBondContact CB-OG 3.38Å; E66-S199 VanDerWaalsContact CD-OG 3.3Å; E66-S199 WeakPolarHBondContact CG-OG 3.47Å; E66-S199 PolarHBondContact O-N 2.72Å; E66-S199 PolarHBondContact OE1-OG 3.33Å; E66-S199 VanDerWaalsContact OE1-OG 3.13Å
67	G	89.5	Confident	87.7	Confident	8 Å²	8	63.9 Å²	63.9	8%	0.082	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	71.2	-150.8	-175.9	0	0	0	0	0	114.8	S63 V196	S63-G67 PolarHBondContact N-O 2.93Å; S63-G67 VanDerWaalsContact O-CA 3.27Å; S63-G67 WeakPolarHBondContact O-CA 3.1Å; S63-G67 PolarHBondContact O-N 3.2Å; G67-V196 WeakPolarHBondContact CA-O 3.37Å
68	L	91.4	Very high	87.9	Confident	4 Å²	4	64 Å²	64	2%	0.021	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-81.3	147.3	175.8	-63.5	-176	0	0	0	111.1	T62 G70 L75 R78 R197 G198 V210 G212 D213	T62-L68 WeakPolarHBondContact OG1-CD2 3.43Å; L68-G70 PolarHBondContact O-N 3.17Å; L68-G70 VanDerWaalsContact O-N 3.09Å; L68-L75 HydrophobicContact CD1-CD2 4.07Å; L68-R78 VanDerWaalsContact CD2-CZ 3.49Å; L68-R78 VanDerWaalsContact CD2-NH2 3.32Å; L68-R197 HydrophobicContact CB-CG 4.35Å; L68-R197 CarbonylContact O-C 3.57Å; L68-R197 WeakPolarHBondContact O-CA 3.35Å; L68-R197 VanDerWaalsContact O-CB 3.31Å; L68-R197 WeakPolarHBondContact O-CB 3.26Å; L68-G198 PolarHBondContact O-N 2.87Å; L68-V210 HydrophobicContact CD1-CG2 3.82Å; L68-G212 WeakPolarHBondContact CG-O 3.34Å; L68-D213 WeakPolarHBondContact CD1-OD1 3.31Å
69	A	83.9	Confident	88	Confident	85 Å²	85	57.4 Å²	57.4	70%	0.702	32%	0.316	S	S	*	.			trans	-67.4	-7.7	177.8	0	0	0	0	0	114.6	V71	A69-V71 VanDerWaalsContact C-N 3.3Å; A69-V71 HydrophobicContact CB-CG2 4.25Å; A69-V71 PolarHBondContact O-N 3.03Å
70	G	80.4	Confident	88	Confident	36 Å²	36	60.7 Å²	60.7	37%	0.371	34%	0.335	S	S	.	.			trans	74.7	10.3	176.4	0	0	0	0	0	115.8	L68 Q72	L68-G70 PolarHBondContact O-N 3.17Å; L68-G70 VanDerWaalsContact O-N 3.09Å; G70-Q72 PolarHBondContact O-N 3.32Å
71	V	88.9	Confident	88.1	Confident	80 Å²	80	63.2 Å²	63.2	49%	0.485	35%	0.349	S	S	.	.			trans	-69.9	121	179.2	-175.2	0	0	0	0	110.3	A69 T73 D74 L75	A69-V71 VanDerWaalsContact C-N 3.3Å; A69-V71 HydrophobicContact CB-CG2 4.25Å; A69-V71 PolarHBondContact O-N 3.03Å; V71-T73 VanDerWaalsContact C-N 3.27Å; V71-T73 WeakPolarHBondContact CG1-OG1 3.45Å; V71-T73 PolarHBondContact O-N 2.94Å; V71-T73 VanDerWaalsContact O-N 3.16Å; V71-D74 WeakPolarHBondContact O-CB 3.3Å; V71-D74 PolarHBondContact O-N 3.36Å; V71-L75 PolarHBondContact O-N 2.85Å
72	Q	87.4	Confident	88.1	Confident	108 Å²	108	57.3 Å²	57.3	51%	0.505	32%	0.323	S	S	.	.	H	α-helix	trans	-53.4	-40.4	-173.8	-172.9	57.8	40.6	0	0	113.6	G70 D74 L75 D76	G70-Q72 PolarHBondContact O-N 3.32Å; Q72-D74 VanDerWaalsContact C-N 3.27Å; Q72-D74 PolarHBondContact O-N 2.88Å; Q72-L75 PolarHBondContact O-N 2.86Å; Q72-D76 WeakPolarHBondContact CG-OD2 3.31Å; Q72-D76 PolarHBondContact NE2-OD1 3.21Å; Q72-D76 PolarHBondContact NE2-OD2 3.43Å; Q72-D76 PolarHBondContact O-N 3.48Å
73	T	88.3	Confident	88	Confident	97 Å²	97	57.9 Å²	57.9	60%	0.595	33%	0.331	S	S	*	.	H	α-helix	trans	-67.6	-20.5	179	56.2	0	0	0	0	114.5	V71 K77	V71-T73 VanDerWaalsContact C-N 3.27Å; V71-T73 WeakPolarHBondContact CG1-OG1 3.45Å; V71-T73 PolarHBondContact O-N 2.94Å; V71-T73 VanDerWaalsContact O-N 3.16Å; T73-K77 WeakPolarHBondContact O-CD 3.48Å; T73-K77 VanDerWaalsContact O-CG 3.25Å; T73-K77 WeakPolarHBondContact O-CG 3.22Å
74	D	88.7	Confident	88	Confident	47 Å²	47	63.1 Å²	63.1	25%	0.251	35%	0.35	S	S	.	.	H	α-helix	trans	-82.6	-40.7	170.9	-170.3	60.4	0	0	0	110.7	V71 Q72 D76 K77 R78	V71-D74 WeakPolarHBondContact O-CB 3.3Å; V71-D74 PolarHBondContact O-N 3.36Å; Q72-D74 VanDerWaalsContact C-N 3.27Å; Q72-D74 PolarHBondContact O-N 2.88Å; D74-D76 PolarHBondContact O-N 3.44Å; D74-K77 PolarHBondContact O-N 2.79Å; D74-R78 WeakPolarHBondContact O-CG 3.16Å; D74-R78 PolarHBondContact O-N 2.54Å; D74-R78 IonicContact OD1-NE 2.75Å; D74-R78 IonicContact OD2-CZ 3.88Å; D74-R78 IonicContact OD2-NE 2.69Å; D74-R78 PolarHBondContact OD2-NE 2.93Å; D74-R78 IonicContact OD2-NH2 2.73Å; D74-R78 PolarHBondContact OD2-NH2 2.78Å
75	L	89.8	Confident	88.2	Confident	9 Å²	9	61.9 Å²	61.9	5%	0.047	34%	0.342	C	S	.	.	H	α-helix	trans	-61.9	-42.1	177.2	-59.8	176.7	0	0	0	111.9	L68 V71 Q72 R78 K79 V210	L68-L75 HydrophobicContact CD1-CD2 4.07Å; V71-L75 PolarHBondContact O-N 2.85Å; Q72-L75 PolarHBondContact O-N 2.86Å; L75-R78 PolarHBondContact O-N 3.17Å; L75-K79 WeakPolarHBondContact O-CG 3.2Å; L75-K79 PolarHBondContact O-N 3.27Å; L75-V210 HydrophobicContact CD2-CG2 3.79Å
76	D	88.7	Confident	88.2	Confident	65 Å²	65	61.8 Å²	61.8	35%	0.348	34%	0.337	S	S	.	.	H	α-helix	trans	-69	-40.5	178.6	-68.2	-35.5	0	0	0	111.8	Q72 D74 R78 K79 E80	Q72-D76 WeakPolarHBondContact CG-OD2 3.31Å; Q72-D76 PolarHBondContact NE2-OD1 3.21Å; Q72-D76 PolarHBondContact NE2-OD2 3.43Å; Q72-D76 PolarHBondContact O-N 3.48Å; D74-D76 PolarHBondContact O-N 3.44Å; D76-R78 VanDerWaalsContact C-N 3.33Å; D76-R78 PolarHBondContact O-N 2.83Å; D76-K79 WeakPolarHBondContact O-CB 3.3Å; D76-K79 PolarHBondContact O-N 3.2Å; D76-K79 VanDerWaalsContact O-N 3.12Å; D76-E80 WeakPolarHBondContact O-CG 3.46Å; D76-E80 PolarHBondContact O-N 3.27Å
77	K	89.8	Confident	87.8	Confident	121 Å²	121	59.6 Å²	59.6	53%	0.526	33%	0.328	S	S	.	.	H	α-helix	trans	-59.2	-41.3	171.3	-75.6	175.1	-177.9	-174.8	0	112.4	T73 D74 E80 L81	T73-K77 WeakPolarHBondContact O-CD 3.48Å; T73-K77 VanDerWaalsContact O-CG 3.25Å; T73-K77 WeakPolarHBondContact O-CG 3.22Å; D74-K77 PolarHBondContact O-N 2.79Å; K77-E80 PolarHBondContact O-N 3.25Å; K77-L81 WeakPolarHBondContact O-CB 3.27Å; K77-L81 VanDerWaalsContact O-CG 3.29Å; K77-L81 WeakPolarHBondContact O-CG 3.23Å; K77-L81 PolarHBondContact O-N 3.09Å
78	R	91.9	Very high	86.8	Confident	1 Å²	1	63.5 Å²	63.5	0%	0.004	35%	0.352	C	S	.	.	H	α-helix	trans	-63.7	-40.4	174.4	-70.5	169.4	-171.1	-87.2	-5.2	111.7	F24 L60 K61 L68 D74 L75 D76 E80 L81 F82 V210 V211	F24-R78 HydrophobicContact CZ-CG 4.12Å; L60-R78 PolarHBondContact O-NH1 3.15Å; L60-R78 PolarHBondContact O-NH2 2.81Å; K61-R78 PolarHBondContact O-NH2 2.88Å; L68-R78 VanDerWaalsContact CD2-CZ 3.49Å; L68-R78 VanDerWaalsContact CD2-NH2 3.32Å; D74-R78 WeakPolarHBondContact O-CG 3.16Å; D74-R78 PolarHBondContact O-N 2.54Å; D74-R78 IonicContact OD1-NE 2.75Å; D74-R78 IonicContact OD2-CZ 3.88Å; D74-R78 IonicContact OD2-NE 2.69Å; D74-R78 PolarHBondContact OD2-NE 2.93Å; D74-R78 IonicContact OD2-NH2 2.73Å; D74-R78 PolarHBondContact OD2-NH2 2.78Å; L75-R78 PolarHBondContact O-N 3.17Å; D76-R78 VanDerWaalsContact C-N 3.33Å; D76-R78 PolarHBondContact O-N 2.83Å; R78-E80 VanDerWaalsContact C-N 3.31Å; R78-E80 PolarHBondContact O-N 3.24Å; R78-L81 PolarHBondContact O-N 3.01Å; R78-F82 HydrophobicContact CB-CD2 4.3Å; R78-F82 HydrophobicContact CG-CD2 4.44Å; R78-F82 WeakPolarHBondContact O-CB 3.47Å; R78-F82 PolarHBondContact O-N 3.33Å; R78-V210 HydrophobicContact CB-CB 4.21Å; R78-V210 HydrophobicContact CB-CG2 4.42Å; R78-V211 WeakPolarHBondContact CD-O 3.48Å; R78-V211 PolarHBondContact NH1-O 3.21Å
79	K	89.9	Confident	85.7	Confident	35 Å²	35	67.8 Å²	67.8	15%	0.152	38%	0.38	C	S	.	.	H	α-helix	trans	-65.1	-31.5	175.7	-75	175.4	176	-177.3	0	113	L75 D76 G83 K84 D208 V210	L75-K79 WeakPolarHBondContact O-CG 3.2Å; L75-K79 PolarHBondContact O-N 3.27Å; D76-K79 WeakPolarHBondContact O-CB 3.3Å; D76-K79 PolarHBondContact O-N 3.2Å; D76-K79 VanDerWaalsContact O-N 3.12Å; K79-G83 WeakPolarHBondContact CA-O 3.43Å; K79-G83 CarbonylContact O-C 3.52Å; K79-G83 VanDerWaalsContact O-CA 3.32Å; K79-G83 WeakPolarHBondContact O-CA 3.28Å; K79-G83 PolarHBondContact O-N 3.06Å; K79-K84 HydrophobicContact CB-CG 4.04Å; K79-K84 HydrophobicContact CG-CG 4.19Å; K79-D208 IonicContact NZ-OD1 3.53Å; K79-D208 PolarHBondContact NZ-OD1 3.04Å; K79-V210 HydrophobicContact CD-CG1 4.37Å; K79-V210 HydrophobicContact CG-CG1 3.73Å
80	E	87.7	Confident	84.7	Confident	163 Å²	163	70.8 Å²	70.8	76%	0.762	38%	0.377	S	S	*	.	H	α-helix	trans	-75.6	-43.1	173.8	-72.5	177.1	169	0	0	112.6	D76 K77 R78	D76-E80 WeakPolarHBondContact O-CG 3.46Å; D76-E80 PolarHBondContact O-N 3.27Å; K77-E80 PolarHBondContact O-N 3.25Å; R78-E80 VanDerWaalsContact C-N 3.31Å; R78-E80 PolarHBondContact O-N 3.24Å
81	L	88.6	Confident	84.3	Confident	54 Å²	54	77.7 Å²	77.7	28%	0.283	40%	0.397	S	S	.	.	H	α-helix	trans	-81.7	-46.7	-174.5	-68.2	166.9	0	0	0	113.9	A22 F24 V28 K77 R78	A22-L81 HydrophobicContact CB-CD1 3.78Å; A22-L81 HydrophobicContact CB-CD2 3.61Å; A22-L81 HydrophobicContact CB-CG 4.37Å; F24-L81 HydrophobicContact CD2-CD1 3.71Å; F24-L81 HydrophobicContact CE2-CD1 3.77Å; V28-L81 WeakPolarHBondContact CG2-O 3.3Å; K77-L81 WeakPolarHBondContact O-CB 3.27Å; K77-L81 VanDerWaalsContact O-CG 3.29Å; K77-L81 WeakPolarHBondContact O-CG 3.23Å; K77-L81 PolarHBondContact O-N 3.09Å; R78-L81 PolarHBondContact O-N 3.01Å
82	F	90.1	Very high	83.7	Confident	9 Å²	9	76.8 Å²	76.8	4%	0.039	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-7.5	-174.7	-58	-77	0	0	0	113.5	F24 V28 L31 L60 R78 V211 N280	F24-F82 HydrophobicContact CB-CZ 4.19Å; F24-F82 HydrophobicContact CD2-CE2 4.19Å; F24-F82 HydrophobicContact CG-CE2 4.28Å; F24-F82 HydrophobicContact CG-CZ 4.33Å; V28-F82 HydrophobicContact CG2-CD1 3.99Å; L31-F82 HydrophobicContact CD1-CD1 3.87Å; L31-F82 HydrophobicContact CD1-CE1 3.63Å; L60-F82 HydrophobicContact CD2-CZ 4.35Å; R78-F82 HydrophobicContact CB-CD2 4.3Å; R78-F82 HydrophobicContact CG-CD2 4.44Å; R78-F82 WeakPolarHBondContact O-CB 3.47Å; R78-F82 PolarHBondContact O-N 3.33Å; F82-V211 HydrophobicContact CB-CB 3.88Å; F82-V211 HydrophobicContact CB-CG2 3.64Å; F82-V211 HydrophobicContact CD1-CB 4.36Å; F82-V211 HydrophobicContact CD1-CG1 4.1Å; F82-V211 HydrophobicContact CD2-CB 4.09Å; F82-V211 HydrophobicContact CD2-CG1 4.32Å; F82-V211 HydrophobicContact CE1-CG1 4.42Å; F82-V211 HydrophobicContact CG-CB 3.86Å; F82-V211 HydrophobicContact CG-CG1 4.06Å; F82-V211 HydrophobicContact CG-CG2 4.09Å; F82-N280 PolarHBondContact O-ND2 3.24Å
83	G	88.9	Confident	83.4	Confident	23 Å²	23	75 Å²	75	24%	0.237	38%	0.383	C	S	.	.			trans	91.6	177.8	-176.6	0	0	0	0	0	113.9	K79	K79-G83 WeakPolarHBondContact CA-O 3.43Å; K79-G83 CarbonylContact O-C 3.52Å; K79-G83 VanDerWaalsContact O-CA 3.32Å; K79-G83 WeakPolarHBondContact O-CA 3.28Å; K79-G83 PolarHBondContact O-N 3.06Å
84	K	89.6	Confident	83.4	Confident	140 Å²	140	74.3 Å²	74.3	61%	0.609	38%	0.379	S	S	*	.			trans	-104	147.6	-179.5	-63.3	177.2	-177.7	178.3	0	109.9	K79 L86	K79-K84 HydrophobicContact CB-CG 4.04Å; K79-K84 HydrophobicContact CG-CG 4.19Å; K84-L86 PolarHBondContact O-N 3.21Å
85	N	89.7	Confident	83.4	Confident	12 Å²	12	75.7 Å²	75.7	6%	0.064	38%	0.383	C	S	.	.	S	Bend	trans	-78	56.6	177.5	-158.8	33.3	0	0	0	113	V206 A207 I209 P224 V277 G278	N85-V206 PolarHBondContact ND2-O 2.76Å; N85-A207 WeakPolarHBondContact O-CA 3.3Å; N85-I209 WeakPolarHBondContact CB-O 3.23Å; N85-P224 PolarHBondContact ND2-O 3.01Å; N85-P224 PolarHBondContact OD1-O 3.2Å; N85-V277 HydrophobicContact CB-CB 3.82Å; N85-V277 HydrophobicContact CB-CG1 4.18Å; N85-V277 WeakPolarHBondContact OD1-CB 3.4Å; N85-G278 PolarHBondContact OD1-N 2.76Å
86	L	83.8	Confident	83.4	Confident	93 Å²	93	81.5 Å²	81.5	49%	0.487	41%	0.413	S	S	.	.			trans	-141.2	121.3	179.2	-174.3	68.6	0	0	0	109	K84	K84-L86 PolarHBondContact O-N 3.21Å
87	I	76.8	Confident	83.3	Confident	61 Å²	61	83 Å²	83	31%	0.313	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-81	118.9	167.2	-58.7	173.9	0	0	0	106.2	F287	I87-F287 HydrophobicContact CG2-CD1 4.35Å
88	P	67.6	Low	83.1	Confident	91 Å²	91	77.8 Å²	77.8	59%	0.591	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-66.3	126	-175.1	25.7	-32.9	0	0	0	110.4	V279	P88-V279 HydrophobicContact CG-CG1 4.49Å
89	P	68.4	Low	82.9	Confident	93 Å²	93	78.8 Å²	78.8	60%	0.604	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-66.6	157.6	175.3	28.2	-34.7	0	0	0	110.7	K91	P89-K91 PolarHBondContact O-N 3.36Å
90	K	64.3	Low	82.9	Confident	148 Å²	148	85.2 Å²	85.2	64%	0.643	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-51.1	136.4	172	-73.7	-161.4	174.2	-162.2	0	109.7
91	K	72.1	Confident	82.6	Confident	181 Å²	181	81.6 Å²	81.6	79%	0.787	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-57.4	136.1	179.3	-67.9	179.2	-178.3	174.1	0	109.2	P89	P89-K91 PolarHBondContact O-N 3.36Å
92	P	75.6	Confident	82.1	Confident	61 Å²	61	80 Å²	80	40%	0.396	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-64.2	152.1	177.6	30.1	-36.9	0	0	0	110.3
93	K	81	Confident	81.8	Confident	71 Å²	71	81.9 Å²	81.9	31%	0.309	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-62.2	143	173.2	-69.9	-178.4	175.5	178.4	0	109.3	L98 E101 E177	K93-L98 HydrophobicContact CB-CD2 4.1Å; K93-L98 HydrophobicContact CB-CG 4.09Å; K93-L98 HydrophobicContact CD-CD2 3.69Å; K93-E101 WeakPolarHBondContact CE-OE2 3.38Å; K93-E101 IonicContact NZ-OE1 3.8Å; K93-E101 PolarHBondContact NZ-OE1 2.71Å; K93-E101 IonicContact NZ-OE2 3.52Å; K93-E101 PolarHBondContact NZ-OE2 3.08Å; K93-E177 PolarHBondContact N-OE2 3.35Å
94	T	89.3	Confident	81.4	Confident	83 Å²	83	86.5 Å²	86.5	51%	0.509	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-77.9	157.3	172.8	69.3	0	0	0	0	109.7	L96 Q97 L98	T94-L96 PolarHBondContact O-N 3.2Å; T94-Q97 WeakPolarHBondContact O-CB 3.42Å; T94-Q97 PolarHBondContact O-N 3.36Å; T94-Q97 WeakPolarHBondContact OG1-CB 3.37Å; T94-Q97 PolarHBondContact OG1-N 3.27Å; T94-Q97 VanDerWaalsContact OG1-N 3.14Å; T94-L98 PolarHBondContact O-N 2.86Å; T94-L98 VanDerWaalsContact O-N 3.07Å
95	F	88.1	Confident	80.8	Confident	75 Å²	75	83 Å²	83	33%	0.329	42%	0.417	S	S	.	.	H	α-helix	trans	-57.1	-40.5	175.2	177.8	-100.1	0	0	0	111.8	Q97 L98 V99 L167 A170 F171 W174	F95-Q97 VanDerWaalsContact C-N 3.32Å; F95-Q97 PolarHBondContact O-N 2.87Å; F95-L98 PolarHBondContact O-N 3.28Å; F95-V99 HydrophobicContact CD1-CG2 4.16Å; F95-V99 HydrophobicContact CE1-CG2 3.7Å; F95-V99 HydrophobicContact CE2-CG2 4.45Å; F95-V99 HydrophobicContact CZ-CG2 3.87Å; F95-V99 WeakPolarHBondContact O-CG2 3.41Å; F95-V99 PolarHBondContact O-N 3.07Å; F95-L167 HydrophobicContact CE1-CD2 4.15Å; F95-L167 HydrophobicContact CZ-CD2 4.1Å; F95-A170 HydrophobicContact CE2-CB 4.04Å; F95-A170 HydrophobicContact CZ-CB 4.36Å; F95-F171 HydrophobicContact CE2-CB 4.24Å; F95-W174 HydrophobicContact CD2-CB 4.12Å; F95-W174 HydrophobicContact CD2-CG 4.31Å
96	L	88.9	Confident	80	Confident	131 Å²	131	87 Å²	87	69%	0.686	44%	0.442	S	S	*	.	H	α-helix	trans	-64.4	-34.2	175.6	-66.3	175.7	0	0	0	113	T94 V99 W100	T94-L96 PolarHBondContact O-N 3.2Å; L96-V99 PolarHBondContact O-N 2.8Å; L96-W100 WeakPolarHBondContact O-CB 3.33Å; L96-W100 PolarHBondContact O-N 3.24Å
97	Q	87.9	Confident	79.4	Confident	98 Å²	98	83.5 Å²	83.5	46%	0.458	42%	0.424	S	S	.	.	H	α-helix	trans	-67.9	-37.1	174.8	-173.7	177.6	5.9	0	0	111.8	T94 F95 W100 E101	T94-Q97 WeakPolarHBondContact O-CB 3.42Å; T94-Q97 PolarHBondContact O-N 3.36Å; T94-Q97 WeakPolarHBondContact OG1-CB 3.37Å; T94-Q97 PolarHBondContact OG1-N 3.27Å; T94-Q97 VanDerWaalsContact OG1-N 3.14Å; F95-Q97 VanDerWaalsContact C-N 3.32Å; F95-Q97 PolarHBondContact O-N 2.87Å; Q97-W100 PolarHBondContact O-N 3.02Å; Q97-E101 WeakPolarHBondContact O-CB 3.47Å; Q97-E101 PolarHBondContact O-N 2.82Å
98	L	85.1	Confident	79.4	Confident	10 Å²	10	81.1 Å²	81.1	5%	0.052	41%	0.412	C	S	.	.	H	α-helix	trans	-69.7	-36.9	174.1	-66.5	170.6	0	0	0	112.1	K93 T94 F95 E101 A102 A170 W174	K93-L98 HydrophobicContact CB-CD2 4.1Å; K93-L98 HydrophobicContact CB-CG 4.09Å; K93-L98 HydrophobicContact CD-CD2 3.69Å; T94-L98 PolarHBondContact O-N 2.86Å; T94-L98 VanDerWaalsContact O-N 3.07Å; F95-L98 PolarHBondContact O-N 3.28Å; L98-E101 PolarHBondContact O-N 2.84Å; L98-A102 WeakPolarHBondContact O-CB 3.38Å; L98-A102 PolarHBondContact O-N 2.9Å; L98-A170 HydrophobicContact CB-CB 4.24Å; L98-W174 HydrophobicContact CD1-CB 3.83Å
99	V	88	Confident	80	Confident	22 Å²	22	80 Å²	80	13%	0.133	40%	0.4	C	S	.	.	H	α-helix	trans	-60.8	-45.5	170.5	168.2	0	0	0	0	110.8	F95 L96 A102 L103 V166 L167 A170	F95-V99 HydrophobicContact CD1-CG2 4.16Å; F95-V99 HydrophobicContact CE1-CG2 3.7Å; F95-V99 HydrophobicContact CE2-CG2 4.45Å; F95-V99 HydrophobicContact CZ-CG2 3.87Å; F95-V99 WeakPolarHBondContact O-CG2 3.41Å; F95-V99 PolarHBondContact O-N 3.07Å; L96-V99 PolarHBondContact O-N 2.8Å; V99-A102 PolarHBondContact O-N 2.63Å; V99-L103 HydrophobicContact CG1-CD1 4.21Å; V99-L103 WeakPolarHBondContact O-CG 3.32Å; V99-L103 PolarHBondContact O-N 2.97Å; V99-V166 HydrophobicContact CG1-CG1 3.93Å; V99-L167 HydrophobicContact CG2-CD2 4.08Å; V99-A170 HydrophobicContact CB-CB 4.32Å; V99-A170 HydrophobicContact CG2-CB 3.51Å
100	W	88.8	Confident	80.4	Confident	170 Å²	170	78.3 Å²	78.3	64%	0.644	39%	0.386	S	S	*	.	H	α-helix	trans	-64.1	-41.6	177.5	-175.2	-91.7	0	0	0	112.8	L96 Q97 L103 Q104	L96-W100 WeakPolarHBondContact O-CB 3.33Å; L96-W100 PolarHBondContact O-N 3.24Å; Q97-W100 PolarHBondContact O-N 3.02Å; W100-L103 PolarHBondContact O-N 2.79Å; W100-Q104 WeakPolarHBondContact O-CG 3.48Å; W100-Q104 PolarHBondContact O-N 3.11Å
101	E	81.4	Confident	80.8	Confident	88 Å²	88	71.5 Å²	71.5	41%	0.411	36%	0.356	S	S	.	.	H	α-helix	trans	-66.5	-35.9	177.2	-171.7	170.9	-168.3	0	0	112.1	K93 Q97 L98 Q104	K93-E101 WeakPolarHBondContact CE-OE2 3.38Å; K93-E101 IonicContact NZ-OE1 3.8Å; K93-E101 PolarHBondContact NZ-OE1 2.71Å; K93-E101 IonicContact NZ-OE2 3.52Å; K93-E101 PolarHBondContact NZ-OE2 3.08Å; Q97-E101 WeakPolarHBondContact O-CB 3.47Å; Q97-E101 PolarHBondContact O-N 2.82Å; L98-E101 PolarHBondContact O-N 2.84Å; E101-Q104 PolarHBondContact O-N 2.84Å
102	A	78.6	Confident	81.2	Confident	21 Å²	21	65.3 Å²	65.3	17%	0.174	33%	0.33	C	S	.	.	H	α-helix	trans	-69.3	-30.7	173	0	0	0	0	0	113.2	L98 V99 Q104 V166 T169	L98-A102 WeakPolarHBondContact O-CB 3.38Å; L98-A102 PolarHBondContact O-N 2.9Å; V99-A102 PolarHBondContact O-N 2.63Å; A102-Q104 PolarHBondContact O-N 2.97Å; A102-V166 HydrophobicContact CB-CG1 4.14Å; A102-T169 HydrophobicContact CB-CG2 4.47Å
103	L	83.3	Confident	81.5	Confident	48 Å²	48	66.7 Å²	66.7	25%	0.251	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.6	172.4	-74.9	164.3	0	0	0	113.6	V99 W100 D105 I109 E112 V166	V99-L103 HydrophobicContact CG1-CD1 4.21Å; V99-L103 WeakPolarHBondContact O-CG 3.32Å; V99-L103 PolarHBondContact O-N 2.97Å; W100-L103 PolarHBondContact O-N 2.79Å; L103-D105 VanDerWaalsContact C-N 3.26Å; L103-D105 PolarHBondContact O-N 2.66Å; L103-I109 WeakPolarHBondContact O-CG1 3.27Å; L103-E112 WeakPolarHBondContact CD2-OE1 3.2Å; L103-V166 HydrophobicContact CD2-CG1 4.17Å; L103-V166 HydrophobicContact CD2-CG2 3.86Å; L103-V166 HydrophobicContact CG-CG1 3.88Å; L103-V166 HydrophobicContact CG-CG2 4.28Å
104	Q	82.1	Confident	81	Confident	119 Å²	119	63.5 Å²	63.5	56%	0.556	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	3.8	179.2	-72.4	-177	-32.8	0	0	113.8	W100 E101 A102 V106	W100-Q104 WeakPolarHBondContact O-CG 3.48Å; W100-Q104 PolarHBondContact O-N 3.11Å; E101-Q104 PolarHBondContact O-N 2.84Å; A102-Q104 PolarHBondContact O-N 2.97Å; Q104-V106 PolarHBondContact O-N 2.84Å
105	D	76.9	Confident	80.5	Confident	66 Å²	66	59.6 Å²	59.6	35%	0.353	30%	0.296	S	S	.	.			trans	-69.5	127.6	172.3	-157.6	-53.9	0	0	0	111.2	L103 T107 L108 I109	L103-D105 VanDerWaalsContact C-N 3.26Å; L103-D105 PolarHBondContact O-N 2.66Å; D105-T107 PolarHBondContact O-N 2.84Å; D105-T107 PolarHBondContact OD1-N 3.13Å; D105-T107 PolarHBondContact OD1-OG1 2.93Å; D105-L108 HydrophobicContact CB-CB 4.42Å; D105-L108 HydrophobicContact CB-CD1 4.27Å; D105-L108 HydrophobicContact CB-CG 4.22Å; D105-L108 PolarHBondContact O-N 3.45Å; D105-I109 VanDerWaalsContact O-CG1 3.32Å; D105-I109 WeakPolarHBondContact O-CG1 3.14Å; D105-I109 PolarHBondContact O-N 2.98Å
106	V	73.4	Confident	80.2	Confident	98 Å²	98	60.7 Å²	60.7	59%	0.594	31%	0.305	S	S	*	.	H	α-helix	trans	-60.8	-32	-179.7	-177.5	0	0	0	0	111.6	Q104 I110	Q104-V106 PolarHBondContact O-N 2.84Å; V106-I110 HydrophobicContact CG1-CD1 3.88Å; V106-I110 HydrophobicContact CG1-CG1 4.47Å; V106-I110 WeakPolarHBondContact O-CB 3.46Å; V106-I110 WeakPolarHBondContact O-CD1 3.43Å; V106-I110 WeakPolarHBondContact O-CG1 3.19Å; V106-I110 PolarHBondContact O-N 3.22Å
107	T	70.6	Confident	79.6	Confident	19 Å²	19	58.3 Å²	58.3	12%	0.117	29%	0.292	C	S	.	.	H	α-helix	trans	-67.7	-44.1	177.8	62.7	0	0	0	0	111.4	D105 I110 L111 E471	D105-T107 PolarHBondContact O-N 2.84Å; D105-T107 PolarHBondContact OD1-N 3.13Å; D105-T107 PolarHBondContact OD1-OG1 2.93Å; T107-I110 PolarHBondContact O-N 3.05Å; T107-L111 PolarHBondContact O-N 2.77Å; T107-L111 VanDerWaalsContact O-N 3.11Å; T107-E471 PolarHBondContact OG1-OE1 3.48Å; T107-E471 VanDerWaalsContact OG1-OE1 3.05Å
108	L	76.4	Confident	78.8	Confident	10 Å²	10	54.6 Å²	54.6	5%	0.052	28%	0.277	C	S	.	.	H	α-helix	trans	-68.6	-43	177.9	-62.5	-179	0	0	0	111.2	D105 I110 L111 E112 V162 V166	D105-L108 HydrophobicContact CB-CB 4.42Å; D105-L108 HydrophobicContact CB-CD1 4.27Å; D105-L108 HydrophobicContact CB-CG 4.22Å; D105-L108 PolarHBondContact O-N 3.45Å; L108-I110 VanDerWaalsContact C-N 3.34Å; L108-I110 PolarHBondContact O-N 3.07Å; L108-L111 CarbonylContact O-C 3.48Å; L108-L111 WeakPolarHBondContact O-CB 3.43Å; L108-L111 PolarHBondContact O-N 3.24Å; L108-L111 VanDerWaalsContact O-N 3.08Å; L108-E112 WeakPolarHBondContact O-CG 3.34Å; L108-E112 PolarHBondContact O-N 2.94Å; L108-V162 HydrophobicContact CB-CG1 4.47Å; L108-V162 HydrophobicContact CD2-CG1 4.4Å; L108-V166 HydrophobicContact CD1-CG2 3.92Å
109	I	81	Confident	78.5	Confident	67 Å²	67	55.9 Å²	55.9	34%	0.344	28%	0.283	S	S	.	.	H	α-helix	trans	-58.2	-44.9	175	-68.6	165.2	0	0	0	111.2	L103 D105 L111 E112 I113	L103-I109 WeakPolarHBondContact O-CG1 3.27Å; D105-I109 VanDerWaalsContact O-CG1 3.32Å; D105-I109 WeakPolarHBondContact O-CG1 3.14Å; D105-I109 PolarHBondContact O-N 2.98Å; I109-L111 VanDerWaalsContact C-N 3.28Å; I109-L111 PolarHBondContact O-N 2.95Å; I109-E112 PolarHBondContact O-N 3.14Å; I109-I113 HydrophobicContact CG2-CD1 3.81Å; I109-I113 VanDerWaalsContact O-CG1 3.29Å; I109-I113 WeakPolarHBondContact O-CG1 3.49Å; I109-I113 PolarHBondContact O-N 3.08Å
110	I	75.1	Confident	77.8	Confident	59 Å²	59	57 Å²	57	30%	0.303	30%	0.299	S	S	.	.	H	α-helix	trans	-62.3	-38.5	176.8	-71.4	166.8	0	0	0	110.9	V106 T107 L108 A114 F458 V462	V106-I110 HydrophobicContact CG1-CD1 3.88Å; V106-I110 HydrophobicContact CG1-CG1 4.47Å; V106-I110 WeakPolarHBondContact O-CB 3.46Å; V106-I110 WeakPolarHBondContact O-CD1 3.43Å; V106-I110 WeakPolarHBondContact O-CG1 3.19Å; V106-I110 PolarHBondContact O-N 3.22Å; T107-I110 PolarHBondContact O-N 3.05Å; L108-I110 VanDerWaalsContact C-N 3.34Å; L108-I110 PolarHBondContact O-N 3.07Å; I110-A114 WeakPolarHBondContact O-CB 3.38Å; I110-A114 PolarHBondContact O-N 2.8Å; I110-F458 HydrophobicContact CG2-CE1 4.37Å; I110-F458 HydrophobicContact CG2-CZ 4.32Å; I110-V462 HydrophobicContact CG2-CG1 4.03Å; I110-V462 HydrophobicContact CG2-CG2 3.67Å
111	L	72.8	Confident	76.8	Confident	4 Å²	4	51 Å²	51	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-70	-39.4	178	-174.9	61.7	0	0	0	112.5	T107 L108 I109 A114 A115 I158 V162 V462 L925	T107-L111 PolarHBondContact O-N 2.77Å; T107-L111 VanDerWaalsContact O-N 3.11Å; L108-L111 CarbonylContact O-C 3.48Å; L108-L111 WeakPolarHBondContact O-CB 3.43Å; L108-L111 PolarHBondContact O-N 3.24Å; L108-L111 VanDerWaalsContact O-N 3.08Å; I109-L111 VanDerWaalsContact C-N 3.28Å; I109-L111 PolarHBondContact O-N 2.95Å; L111-A114 PolarHBondContact O-N 2.81Å; L111-A115 WeakPolarHBondContact O-CB 3.45Å; L111-A115 PolarHBondContact O-N 2.8Å; L111-I158 HydrophobicContact CD1-CG2 3.85Å; L111-I158 HydrophobicContact CD2-CG2 4.23Å; L111-I158 HydrophobicContact CG-CG2 3.78Å; L111-V162 HydrophobicContact CD2-CG2 3.74Å; L111-V162 HydrophobicContact CG-CG2 4.21Å; L111-V462 HydrophobicContact CB-CG1 4.16Å; L111-V462 HydrophobicContact CD1-CG1 4.03Å; L111-L925 HydrophobicContact CD2-CD1 4.2Å; L111-L925 HydrophobicContact CD2-CD2 3.94Å
112	E	81.9	Confident	76.1	Confident	51 Å²	51	47.8 Å²	47.8	24%	0.238	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-45.9	173.3	-72.8	-175.4	175	0	0	111.6	L103 L108 I109 A114 A115 L116 L159 V162	L103-E112 WeakPolarHBondContact CD2-OE1 3.2Å; L108-E112 WeakPolarHBondContact O-CG 3.34Å; L108-E112 PolarHBondContact O-N 2.94Å; I109-E112 PolarHBondContact O-N 3.14Å; E112-A114 VanDerWaalsContact C-N 3.34Å; E112-A114 PolarHBondContact O-N 3.22Å; E112-A115 PolarHBondContact O-N 3.42Å; E112-L116 WeakPolarHBondContact O-CB 3.11Å; E112-L116 WeakPolarHBondContact O-CG 3.18Å; E112-L116 PolarHBondContact O-N 2.98Å; E112-L159 HydrophobicContact CB-CD2 4.33Å; E112-L159 HydrophobicContact CG-CD2 4.28Å; E112-V162 HydrophobicContact CG-CG1 4Å; E112-V162 WeakPolarHBondContact OE1-CG1 3.1Å
113	I	81.9	Confident	75.8	Confident	91 Å²	91	53.1 Å²	53.1	47%	0.467	29%	0.286	S	S	.	.	H	α-helix	trans	-60.1	-45.3	175.5	-68.3	166.9	0	0	0	110.4	I109 A115 L116 I117	I109-I113 HydrophobicContact CG2-CD1 3.81Å; I109-I113 VanDerWaalsContact O-CG1 3.29Å; I109-I113 WeakPolarHBondContact O-CG1 3.49Å; I109-I113 PolarHBondContact O-N 3.08Å; I113-A115 VanDerWaalsContact C-N 3.34Å; I113-A115 PolarHBondContact O-N 2.67Å; I113-L116 PolarHBondContact O-N 3.22Å; I113-I117 HydrophobicContact CG2-CD1 3.82Å; I113-I117 VanDerWaalsContact O-CG1 3.28Å; I113-I117 WeakPolarHBondContact O-CG1 3.5Å; I113-I117 PolarHBondContact O-N 2.97Å
114	A	70.3	Confident	75	Confident	3 Å²	3	57.5 Å²	57.5	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-64	-37.8	177.6	0	0	0	0	0	112.5	I110 L111 E112 I117 S118 F458 I459	I110-A114 WeakPolarHBondContact O-CB 3.38Å; I110-A114 PolarHBondContact O-N 2.8Å; L111-A114 PolarHBondContact O-N 2.81Å; E112-A114 VanDerWaalsContact C-N 3.34Å; E112-A114 PolarHBondContact O-N 3.22Å; A114-I117 PolarHBondContact O-N 2.8Å; A114-S118 WeakPolarHBondContact O-CB 3.31Å; A114-S118 PolarHBondContact O-N 2.87Å; A114-F458 HydrophobicContact CB-CD1 4.37Å; A114-F458 HydrophobicContact CB-CE1 4.35Å; A114-I459 HydrophobicContact CB-CG1 3.96Å
115	A	77.2	Confident	73.7	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.008	30%	0.303	C	S	.	.	H	α-helix	trans	-68	-40.3	175.6	0	0	0	0	0	112.4	L111 E112 I113 S118 L119 I158 L159	L111-A115 WeakPolarHBondContact O-CB 3.45Å; L111-A115 PolarHBondContact O-N 2.8Å; E112-A115 PolarHBondContact O-N 3.42Å; I113-A115 VanDerWaalsContact C-N 3.34Å; I113-A115 PolarHBondContact O-N 2.67Å; A115-S118 WeakPolarHBondContact O-CB 3.31Å; A115-S118 PolarHBondContact O-N 3.13Å; A115-L119 VanDerWaalsContact O-CB 3.27Å; A115-L119 WeakPolarHBondContact O-CB 3.18Å; A115-L119 PolarHBondContact O-N 3.38Å; A115-I158 HydrophobicContact CB-CB 3.95Å; A115-I158 HydrophobicContact CB-CG2 3.7Å; A115-L159 HydrophobicContact CB-CD2 4.05Å; A115-L159 HydrophobicContact CB-CG 3.87Å
116	L	82.7	Confident	72.6	Confident	98 Å²	98	58.3 Å²	58.3	51%	0.513	31%	0.308	S	S	.	.	H	α-helix	trans	-64.5	-40.8	174	-72.9	169.7	0	0	0	112	E112 I113 L119 G120 L159	E112-L116 WeakPolarHBondContact O-CB 3.11Å; E112-L116 WeakPolarHBondContact O-CG 3.18Å; E112-L116 PolarHBondContact O-N 2.98Å; I113-L116 PolarHBondContact O-N 3.22Å; L116-L119 PolarHBondContact O-N 3.38Å; L116-G120 PolarHBondContact O-N 2.87Å; L116-L159 HydrophobicContact CD2-CD1 4.07Å; L116-L159 HydrophobicContact CG-CD2 4.43Å
117	I	76.9	Confident	71.1	Confident	82 Å²	82	60 Å²	60	42%	0.421	32%	0.321	S	S	.	.	H	α-helix	trans	-65.1	-44.3	174.2	-67.6	166.3	0	0	0	110.5	I113 A114 L119 G120 L121 V455	I113-I117 HydrophobicContact CG2-CD1 3.82Å; I113-I117 VanDerWaalsContact O-CG1 3.28Å; I113-I117 WeakPolarHBondContact O-CG1 3.5Å; I113-I117 PolarHBondContact O-N 2.97Å; A114-I117 PolarHBondContact O-N 2.8Å; I117-L119 VanDerWaalsContact C-N 3.33Å; I117-L119 PolarHBondContact O-N 2.83Å; I117-G120 PolarHBondContact O-N 3.42Å; I117-L121 HydrophobicContact CG2-CD1 3.98Å; I117-L121 HydrophobicContact CG2-CG 4.44Å; I117-L121 WeakPolarHBondContact O-CB 3.16Å; I117-L121 WeakPolarHBondContact O-CG 3.47Å; I117-L121 PolarHBondContact O-N 2.86Å; I117-V455 HydrophobicContact CG2-CG1 4.1Å; I117-V455 HydrophobicContact CG2-CG2 3.87Å
118	S	71.1	Confident	70.1	Confident	19 Å²	19	61.9 Å²	61.9	13%	0.133	35%	0.345	C	S	.	.	H	α-helix	trans	-58.9	-44.7	175.5	-169.3	0	0	0	0	111.9	A114 A115 S122	A114-S118 WeakPolarHBondContact O-CB 3.31Å; A114-S118 PolarHBondContact O-N 2.87Å; A115-S118 WeakPolarHBondContact O-CB 3.31Å; A115-S118 PolarHBondContact O-N 3.13Å; S118-S122 PolarHBondContact O-N 2.96Å
119	L	78.1	Confident	68.8	Low	37 Å²	37	70.7 Å²	70.7	19%	0.194	39%	0.385	C	S	.	.	H	α-helix	trans	-65.2	-46.6	177.8	-174.1	66	0	0	0	111.3	A115 L116 I117 L121 S122 F123 W152 L159	A115-L119 VanDerWaalsContact O-CB 3.27Å; A115-L119 WeakPolarHBondContact O-CB 3.18Å; A115-L119 PolarHBondContact O-N 3.38Å; L116-L119 PolarHBondContact O-N 3.38Å; I117-L119 VanDerWaalsContact C-N 3.33Å; I117-L119 PolarHBondContact O-N 2.83Å; L119-L121 PolarHBondContact O-N 3.11Å; L119-S122 WeakPolarHBondContact O-CB 3.25Å; L119-S122 PolarHBondContact O-N 2.74Å; L119-S122 VanDerWaalsContact O-N 3.12Å; L119-S122 PolarHBondContact O-OG 3.17Å; L119-F123 HydrophobicContact CD1-CD2 4.45Å; L119-F123 HydrophobicContact CD1-CE2 3.62Å; L119-F123 HydrophobicContact CD1-CZ 4.2Å; L119-F123 HydrophobicContact CG-CD2 4.37Å; L119-F123 HydrophobicContact CG-CE2 3.81Å; L119-F123 WeakPolarHBondContact O-CD2 3.19Å; L119-F123 PolarHBondContact O-N 3.3Å; L119-W152 HydrophobicContact CD1-CB 3.81Å; L119-L159 HydrophobicContact CD2-CD1 4.3Å
120	G	73.9	Confident	66.8	Low	45 Å²	45	74.6 Å²	74.6	46%	0.464	41%	0.412	S	S	.	.	H	α-helix	trans	-61.4	-41.1	177.4	0	0	0	0	0	113.3	L116 I117 S122 F123	L116-G120 PolarHBondContact O-N 2.87Å; I117-G120 PolarHBondContact O-N 3.42Å; G120-S122 VanDerWaalsContact C-N 3.31Å; G120-S122 PolarHBondContact O-N 3.25Å; G120-F123 PolarHBondContact O-N 2.98Å
121	L	67.4	Low	65.2	Low	44 Å²	44	74.2 Å²	74.2	23%	0.23	42%	0.423	C	S	.	.	H	α-helix	trans	-68.3	-28.7	174.3	-70.8	174	0	0	0	112.8	I117 L119 F123 Y124 I451 V455	I117-L121 HydrophobicContact CG2-CD1 3.98Å; I117-L121 HydrophobicContact CG2-CG 4.44Å; I117-L121 WeakPolarHBondContact O-CB 3.16Å; I117-L121 WeakPolarHBondContact O-CG 3.47Å; I117-L121 PolarHBondContact O-N 2.86Å; L119-L121 PolarHBondContact O-N 3.11Å; L121-F123 VanDerWaalsContact C-N 3.27Å; L121-F123 PolarHBondContact O-N 2.91Å; L121-Y124 PolarHBondContact O-N 3.14Å; L121-I451 HydrophobicContact CD1-CG2 4.14Å; L121-I451 HydrophobicContact CD2-CG2 4.46Å; L121-V455 HydrophobicContact CD1-CB 4.19Å; L121-V455 HydrophobicContact CD1-CG1 4.41Å; L121-V455 HydrophobicContact CD1-CG2 3.73Å
122	S	67.5	Low	63.9	Low	21 Å²	21	76.8 Å²	76.8	15%	0.147	45%	0.451	C	S	.	.	H	α-helix	trans	-68.5	-23.8	176.5	77	0	0	0	0	113.7	S118 L119 G120 W152	S118-S122 PolarHBondContact O-N 2.96Å; L119-S122 WeakPolarHBondContact O-CB 3.25Å; L119-S122 PolarHBondContact O-N 2.74Å; L119-S122 VanDerWaalsContact O-N 3.12Å; L119-S122 PolarHBondContact O-OG 3.17Å; G120-S122 VanDerWaalsContact C-N 3.31Å; G120-S122 PolarHBondContact O-N 3.25Å; S122-W152 WeakPolarHBondContact OG-CA 3.32Å
123	F	71.3	Confident	62.2	Low	133 Å²	133	82.2 Å²	82.2	58%	0.583	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-3.2	176.7	-66	-60.8	0	0	0	114	L119 G120 L121 H125 W152	L119-F123 HydrophobicContact CD1-CD2 4.45Å; L119-F123 HydrophobicContact CD1-CE2 3.62Å; L119-F123 HydrophobicContact CD1-CZ 4.2Å; L119-F123 HydrophobicContact CG-CD2 4.37Å; L119-F123 HydrophobicContact CG-CE2 3.81Å; L119-F123 WeakPolarHBondContact O-CD2 3.19Å; L119-F123 PolarHBondContact O-N 3.3Å; G120-F123 PolarHBondContact O-N 2.98Å; L121-F123 VanDerWaalsContact C-N 3.27Å; L121-F123 PolarHBondContact O-N 2.91Å; F123-H125 PolarHBondContact O-N 3.32Å; F123-W152 HydrophobicContact CE1-CB 4.14Å; F123-W152 HydrophobicContact CE2-CB 4.34Å; F123-W152 HydrophobicContact CZ-CB 3.75Å; F123-W152 HydrophobicContact CZ-CG 4.32Å
124	Y	66.4	Low	60.6	Low	140 Å²	140	81.3 Å²	81.3	55%	0.549	49%	0.488	S	S	.	.			trans	-93.6	98.2	-177.4	-174	-97.1	0	0	0	111.9	L121 P448	L121-Y124 PolarHBondContact O-N 3.14Å; Y124-P448 HydrophobicContact CD1-CB 4.36Å; Y124-P448 HydrophobicContact CE1-CB 4.38Å; Y124-P448 HydrophobicContact CE1-CG 4.04Å
125	H	56	Low	59.8	Low	133 Å²	133	83.3 Å²	83.3	62%	0.616	50%	0.501	S	S	*	.			trans	-94.6	123.9	170.9	-63.8	-72.1	0	0	0	111	F123	F123-H125 PolarHBondContact O-N 3.32Å
126	P	53.1	Low	58.2	Low	69 Å²	69	85.6 Å²	85.6	45%	0.448	53%	0.525	S	S	.	.			trans	-68.9	136	175	27.5	-33	0	0	0	111	G128	P126-G128 PolarHBondContact O-N 3.09Å
127	P	41.8	Very low	56.4	Low	133 Å²	133	84.5 Å²	84.5	86%	0.864	53%	0.53	S	S	*	.	S	Bend	trans	-75.9	97.7	-178.4	29.8	-34	0	0	0	111.1
128	G	48.9	Very low	54.7	Low	60 Å²	60	82.6 Å²	82.6	62%	0.619	53%	0.526	S	S	*	.			trans	177.5	32	-177.8	0	0	0	0	0	117.4	P126 T130	P126-G128 PolarHBondContact O-N 3.09Å; G128-T130 VanDerWaalsContact C-N 3.28Å; G128-T130 PolarHBondContact O-N 3.27Å
129	Q	48.5	Very low	53.3	Low	194 Å²	194	84.6 Å²	84.6	91%	0.907	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	74.6	177.6	-77.5	-176.1	-19.6	0	0	112.9
130	T	39.1	Very low	51.3	Low	149 Å²	149	85.7 Å²	85.7	91%	0.914	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.1	16.2	166.8	18	0	0	0	0	113.9	G128	G128-T130 VanDerWaalsContact C-N 3.28Å; G128-T130 PolarHBondContact O-N 3.27Å
131	G	41.7	Very low	49.2	Very low	51 Å²	51	86.8 Å²	86.8	53%	0.526	58%	0.575	S	S	.	*			trans	-153.8	67.5	-179.6	0	0	0	0	0	113.8	D133	G131-D133 VanDerWaalsContact C-N 3.27Å; G131-D133 PolarHBondContact O-N 3.47Å
132	G	45.8	Very low	47.3	Very low	58 Å²	58	90.1 Å²	90.1	60%	0.598	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-63	-25.9	-176.5	0	0	0	0	0	115.4	A134 G136	G132-A134 PolarHBondContact O-N 3.23Å; G132-G136 PolarHBondContact O-N 3.04Å
133	D	47.2	Very low	45.8	Very low	166 Å²	166	98.3 Å²	98.3	89%	0.888	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-74.4	-20.7	-166.5	-61	-24.7	0	0	0	115.1	G131	G131-D133 VanDerWaalsContact C-N 3.27Å; G131-D133 PolarHBondContact O-N 3.47Å
134	A	48.7	Very low	43.9	Very low	72 Å²	72	97.9 Å²	97.9	60%	0.595	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-81.8	-29.9	-178.4	0	0	0	0	0	113.2	G132	G132-A134 PolarHBondContact O-N 3.23Å
135	C	52.3	Low	42.4	Very low	45 Å²	45	100.8 Å²	100.8	30%	0.304	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.2	-26.4	-177.3	-51.6	0	0	0	0	112	A137 A138 C446	C135-A137 PolarHBondContact O-N 2.89Å; C135-A138 PolarHBondContact O-N 3.35Å; C135-A138 VanDerWaalsContact O-N 3.12Å; C135-C446 PolarHBondContact SG-SG 3.28Å
136	G	44.4	Very low	41.6	Very low	49 Å²	49	96.5 Å²	96.5	51%	0.505	65%	0.647	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.6	4.3	-166.9	0	0	0	0	0	117.8	G132 A139	G132-G136 PolarHBondContact O-N 3.04Å; G136-A139 VanDerWaalsContact O-O 3.11Å
137	A	43.6	Very low	41.1	Very low	75 Å²	75	97.8 Å²	97.8	62%	0.62	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	10.5	172.7	0	0	0	0	0	113.4	C135 R440	C135-A137 PolarHBondContact O-N 2.89Å; A137-R440 PolarHBondContact O-NH1 2.86Å; A137-R440 PolarHBondContact O-NH2 3.28Å; A137-R440 VanDerWaalsContact O-NH2 3.11Å
138	A	42.8	Very low	41.3	Very low	42 Å²	42	94.9 Å²	94.9	35%	0.347	64%	0.635	S	S	.	*	S	Bend	trans	-100.7	-15	163.7	0	0	0	0	0	112.4	C135	C135-A138 PolarHBondContact O-N 3.35Å; C135-A138 VanDerWaalsContact O-N 3.12Å
139	A	41.8	Very low	41.4	Very low	60 Å²	60	98 Å²	98	50%	0.496	64%	0.637	S	S	.	*	S	Bend	trans	-100.2	123.2	162.6	0	0	0	0	0	108	G136 G141	G136-A139 VanDerWaalsContact O-O 3.11Å; A139-G141 PolarHBondContact O-N 2.9Å
140	G	34.5	Very low	41.7	Very low	60 Å²	60	89.8 Å²	89.8	62%	0.619	60%	0.602	S	S	*	*			trans	-71	116	167.3	0	0	0	0	0	108
141	G	29.6	Very low	42.8	Very low	68 Å²	68	83 Å²	83	70%	0.701	56%	0.562	S	S	*	*			trans	-76.3	149.5	-164.8	0	0	0	0	0	115.1	A139	A139-G141 PolarHBondContact O-N 2.9Å
142	V	28	Very low	44.3	Very low	114 Å²	114	86.1 Å²	86.1	69%	0.691	56%	0.558	S	S	*	*				-137.4	146.4	112.4	166.4	0	0	0	0	106.6	D144	V142-D144 PolarHBondContact O-N 2.96Å
143	E	36.4	Very low	45.7	Very low	194 Å²	194	84.9 Å²	84.9	91%	0.907	54%	0.537	S	S	*	.			trans	-73.8	110.9	167.8	-65.4	176.9	141.2	0	0	109.1
144	D	31	Very low	46.8	Very low	124 Å²	124	79.9 Å²	79.9	66%	0.663	51%	0.508	S	S	*	.			trans	-147.1	124.4	166.2	-135.2	-18.4	0	0	0	111	V142 G146 E147	V142-D144 PolarHBondContact O-N 2.96Å; D144-G146 PolarHBondContact O-N 2.64Å; D144-E147 PolarHBondContact O-N 3.4Å
145	E	35.2	Very low	48	Very low	200 Å²	200	76.4 Å²	76.4	94%	0.935	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-0.4	-164.8	-62.5	-176.5	138.4	0	0	114.6
146	G	40.2	Very low	49.5	Very low	43 Å²	43	75.7 Å²	75.7	44%	0.443	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	1.1	179.8	0	0	0	0	0	116.3	D144	D144-G146 PolarHBondContact O-N 2.64Å
147	E	42.6	Very low	51.1	Low	96 Å²	96	74 Å²	74	45%	0.449	46%	0.458	S	S	.	.	S	Bend	trans	-78.5	-31.2	-176.6	-70	-164.3	134.9	0	0	114.1	D144 D149	D144-E147 PolarHBondContact O-N 3.4Å; E147-D149 VanDerWaalsContact C-N 3.34Å; E147-D149 PolarHBondContact O-N 2.68Å
148	A	45.8	Very low	52.8	Low	73 Å²	73	70.5 Å²	70.5	60%	0.603	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-66.2	-34.1	-179.9	0	0	0	0	0	113	A150	A148-A150 PolarHBondContact O-N 2.89Å; A148-A150 VanDerWaalsContact O-N 3.16Å
149	D	50.5	Low	54.8	Low	126 Å²	126	70.5 Å²	70.5	67%	0.674	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-72.6	-4.2	-175.2	-84.4	-9	0	0	0	114.8	E147 W152	E147-D149 VanDerWaalsContact C-N 3.34Å; E147-D149 PolarHBondContact O-N 2.68Å; D149-W152 VanDerWaalsContact O-CD1 3.31Å; D149-W152 PolarHBondContact O-NE1 3.13Å
150	A	55.3	Low	56.8	Low	20 Å²	20	73.2 Å²	73.2	17%	0.165	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-105.3	-18.5	-176	0	0	0	0	0	114.9	A148 W152 I153 K1066	A148-A150 PolarHBondContact O-N 2.89Å; A148-A150 VanDerWaalsContact O-N 3.16Å; A150-W152 VanDerWaalsContact C-N 3.32Å; A150-W152 PolarHBondContact O-N 2.66Å; A150-I153 HydrophobicContact CB-CD1 4.3Å; A150-I153 VanDerWaalsContact O-CB 3.27Å; A150-I153 WeakPolarHBondContact O-CB 3.07Å; A150-I153 WeakPolarHBondContact O-CG1 3.47Å; A150-I153 PolarHBondContact O-N 2.92Å; A150-K1066 HydrophobicContact CB-CD 4.35Å
151	G	61.1	Low	58.9	Low	7 Å²	7	71.3 Å²	71.3	7%	0.072	41%	0.406	C	S	.	.	H	α-helix	trans	-65.1	-29.6	-171	0	0	0	0	0	115	I153	G151-I153 VanDerWaalsContact C-N 3.27Å; G151-I153 PolarHBondContact O-N 3.08Å
152	W	73.3	Confident	61.4	Low	116 Å²	116	68.1 Å²	68.1	44%	0.439	37%	0.373	S	S	.	.	H	α-helix	trans	-72	-21.1	176.2	68.4	-89.3	0	0	0	113	L119 S122 F123 D149 A150 E154 G155 A156	L119-W152 HydrophobicContact CD1-CB 3.81Å; S122-W152 WeakPolarHBondContact OG-CA 3.32Å; F123-W152 HydrophobicContact CE1-CB 4.14Å; F123-W152 HydrophobicContact CE2-CB 4.34Å; F123-W152 HydrophobicContact CZ-CB 3.75Å; F123-W152 HydrophobicContact CZ-CG 4.32Å; D149-W152 VanDerWaalsContact O-CD1 3.31Å; D149-W152 PolarHBondContact O-NE1 3.13Å; A150-W152 VanDerWaalsContact C-N 3.32Å; A150-W152 PolarHBondContact O-N 2.66Å; W152-E154 VanDerWaalsContact C-N 3.35Å; W152-E154 PolarHBondContact O-N 2.91Å; W152-G155 PolarHBondContact O-N 2.92Å; W152-A156 HydrophobicContact CE3-CB 3.77Å; W152-A156 HydrophobicContact CZ3-CB 3.92Å; W152-A156 WeakPolarHBondContact O-CB 3.12Å; W152-A156 PolarHBondContact O-N 2.77Å
153	I	75.3	Confident	64.2	Low	33 Å²	33	66 Å²	66	17%	0.169	36%	0.36	C	S	.	.	H	α-helix	trans	-66.6	-36.1	-173.7	-57.9	176.8	0	0	0	110.9	A150 G151 A157 K1066 P1067	A150-I153 HydrophobicContact CB-CD1 4.3Å; A150-I153 VanDerWaalsContact O-CB 3.27Å; A150-I153 WeakPolarHBondContact O-CB 3.07Å; A150-I153 WeakPolarHBondContact O-CG1 3.47Å; A150-I153 PolarHBondContact O-N 2.92Å; G151-I153 VanDerWaalsContact C-N 3.27Å; G151-I153 PolarHBondContact O-N 3.08Å; I153-A157 WeakPolarHBondContact O-CB 3.36Å; I153-A157 PolarHBondContact O-N 3.15Å; I153-K1066 HydrophobicContact CD1-CD 4.48Å; I153-P1067 HydrophobicContact CG2-CB 4.37Å; I153-P1067 HydrophobicContact CG2-CG 4.08Å
154	E	70.6	Confident	66.4	Low	60 Å²	60	59.9 Å²	59.9	28%	0.28	34%	0.338	S	S	.	.	H	α-helix	trans	-64.5	-49.4	179.9	-172.8	169	-156.9	0	0	111.3	W152 A157 I158	W152-E154 VanDerWaalsContact C-N 3.35Å; W152-E154 PolarHBondContact O-N 2.91Å; E154-A157 PolarHBondContact O-N 3.47Å; E154-I158 HydrophobicContact CG-CD1 4.44Å; E154-I158 WeakPolarHBondContact O-CG1 3.4Å; E154-I158 PolarHBondContact O-N 3.22Å; E154-I158 VanDerWaalsContact O-N 3.09Å
155	G	74.7	Confident	68.6	Low	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.8	-43.2	176.4	0	0	0	0	0	113	W152 I158 L159	W152-G155 PolarHBondContact O-N 2.92Å; G155-I158 PolarHBondContact O-N 2.93Å; G155-L159 PolarHBondContact O-N 3.33Å; G155-L159 VanDerWaalsContact O-N 3.14Å
156	A	82.7	Confident	70.9	Confident	30 Å²	30	45.2 Å²	45.2	25%	0.248	27%	0.267	C	S	.	.	H	α-helix	trans	-66.4	-37.4	177.5	0	0	0	0	0	112.9	W152 L159 L160	W152-A156 HydrophobicContact CE3-CB 3.77Å; W152-A156 HydrophobicContact CZ3-CB 3.92Å; W152-A156 WeakPolarHBondContact O-CB 3.12Å; W152-A156 PolarHBondContact O-N 2.77Å; A156-L159 PolarHBondContact O-N 3.5Å; A156-L160 WeakPolarHBondContact O-CB 3.38Å; A156-L160 PolarHBondContact O-N 2.97Å
157	A	78.4	Confident	73.1	Confident	13 Å²	13	46.9 Å²	46.9	11%	0.107	27%	0.265	C	S	.	.	H	α-helix	trans	-69.3	-34.6	177.1	0	0	0	0	0	112.2	I153 E154 S161 V922	I153-A157 WeakPolarHBondContact O-CB 3.36Å; I153-A157 PolarHBondContact O-N 3.15Å; E154-A157 PolarHBondContact O-N 3.47Å; A157-S161 VanDerWaalsContact O-CB 3.23Å; A157-S161 WeakPolarHBondContact O-CB 3.42Å; A157-S161 PolarHBondContact O-N 3.04Å; A157-S161 PolarHBondContact O-OG 3.35Å; A157-V922 HydrophobicContact CB-CG2 3.7Å
158	I	78.9	Confident	74.9	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-63.4	-50.7	171.8	-65.7	164.5	0	0	0	110.3	L111 A115 E154 G155 L160 S161 V162 I459 A921 V922	L111-I158 HydrophobicContact CD1-CG2 3.85Å; L111-I158 HydrophobicContact CD2-CG2 4.23Å; L111-I158 HydrophobicContact CG-CG2 3.78Å; A115-I158 HydrophobicContact CB-CB 3.95Å; A115-I158 HydrophobicContact CB-CG2 3.7Å; E154-I158 HydrophobicContact CG-CD1 4.44Å; E154-I158 WeakPolarHBondContact O-CG1 3.4Å; E154-I158 PolarHBondContact O-N 3.22Å; E154-I158 VanDerWaalsContact O-N 3.09Å; G155-I158 PolarHBondContact O-N 2.93Å; I158-L160 PolarHBondContact O-N 3.32Å; I158-S161 WeakPolarHBondContact O-CB 3.3Å; I158-S161 PolarHBondContact O-N 3.12Å; I158-S161 VanDerWaalsContact O-N 3.13Å; I158-V162 HydrophobicContact CG2-CG2 4.47Å; I158-V162 WeakPolarHBondContact O-CG2 3.39Å; I158-V162 PolarHBondContact O-N 3.09Å; I158-I459 HydrophobicContact CD1-CG2 4.45Å; I158-A921 HydrophobicContact CD1-CB 4.01Å; I158-A921 HydrophobicContact CG1-CB 4.12Å; I158-V922 HydrophobicContact CG1-CG2 4.23Å
159	L	84.6	Confident	76.1	Confident	43 Å²	43	42.6 Å²	42.6	23%	0.225	24%	0.238	C	C	.	.	H	α-helix	trans	-57.9	-47.3	178.2	-72.1	169.6	0	0	0	112.3	E112 A115 L116 L119 G155 A156 S161 V162 V163	E112-L159 HydrophobicContact CB-CD2 4.33Å; E112-L159 HydrophobicContact CG-CD2 4.28Å; A115-L159 HydrophobicContact CB-CD2 4.05Å; A115-L159 HydrophobicContact CB-CG 3.87Å; L116-L159 HydrophobicContact CD2-CD1 4.07Å; L116-L159 HydrophobicContact CG-CD2 4.43Å; L119-L159 HydrophobicContact CD2-CD1 4.3Å; G155-L159 PolarHBondContact O-N 3.33Å; G155-L159 VanDerWaalsContact O-N 3.14Å; A156-L159 PolarHBondContact O-N 3.5Å; L159-S161 VanDerWaalsContact C-N 3.29Å; L159-S161 PolarHBondContact O-N 2.83Å; L159-V162 PolarHBondContact O-N 2.92Å; L159-V163 WeakPolarHBondContact O-CG2 3.5Å; L159-V163 PolarHBondContact O-N 3.17Å
160	L	84.6	Confident	77.7	Confident	116 Å²	116	36.7 Å²	36.7	61%	0.607	21%	0.206	S	C	*	.	H	α-helix	trans	-62.5	-37	177.3	-176.3	63.2	0	0	0	112.1	A156 I158 C164	A156-L160 WeakPolarHBondContact O-CB 3.38Å; A156-L160 PolarHBondContact O-N 2.97Å; I158-L160 PolarHBondContact O-N 3.32Å; L160-C164 PolarHBondContact O-N 3.21Å; L160-C164 PolarHBondContact O-SG 2.94Å
161	S	77.7	Confident	79	Confident	21 Å²	21	41.5 Å²	41.5	15%	0.147	22%	0.224	C	C	.	.	H	α-helix	trans	-67.8	-42.9	177.4	-61.2	0	0	0	0	112	A157 I158 L159 C164 V165	A157-S161 VanDerWaalsContact O-CB 3.23Å; A157-S161 WeakPolarHBondContact O-CB 3.42Å; A157-S161 PolarHBondContact O-N 3.04Å; A157-S161 PolarHBondContact O-OG 3.35Å; I158-S161 WeakPolarHBondContact O-CB 3.3Å; I158-S161 PolarHBondContact O-N 3.12Å; I158-S161 VanDerWaalsContact O-N 3.13Å; L159-S161 VanDerWaalsContact C-N 3.29Å; L159-S161 PolarHBondContact O-N 2.83Å; S161-C164 WeakPolarHBondContact O-CB 3.38Å; S161-C164 PolarHBondContact O-N 3.36Å; S161-V165 WeakPolarHBondContact O-CG2 3.5Å; S161-V165 PolarHBondContact O-N 3.21Å
162	V	82.5	Confident	79.4	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60	-47.2	175	173.1	0	0	0	0	110.5	L108 L111 E112 I158 L159 C164 V165 V166	L108-V162 HydrophobicContact CB-CG1 4.47Å; L108-V162 HydrophobicContact CD2-CG1 4.4Å; L111-V162 HydrophobicContact CD2-CG2 3.74Å; L111-V162 HydrophobicContact CG-CG2 4.21Å; E112-V162 HydrophobicContact CG-CG1 4Å; E112-V162 WeakPolarHBondContact OE1-CG1 3.1Å; I158-V162 HydrophobicContact CG2-CG2 4.47Å; I158-V162 WeakPolarHBondContact O-CG2 3.39Å; I158-V162 PolarHBondContact O-N 3.09Å; L159-V162 PolarHBondContact O-N 2.92Å; V162-C164 VanDerWaalsContact C-N 3.29Å; V162-C164 PolarHBondContact O-N 3.22Å; V162-V165 PolarHBondContact O-N 3.16Å; V162-V166 HydrophobicContact CG1-CG2 4.23Å; V162-V166 WeakPolarHBondContact O-CB 3.3Å; V162-V166 VanDerWaalsContact O-CG2 3.32Å; V162-V166 WeakPolarHBondContact O-CG2 3.48Å; V162-V166 PolarHBondContact O-N 2.84Å
163	V	86.1	Confident	79.4	Confident	71 Å²	71	38.6 Å²	38.6	43%	0.43	22%	0.215	S	C	.	.	H	α-helix	trans	-57.4	-42.1	174.9	171.8	0	0	0	0	111.6	L159 L167	L159-V163 WeakPolarHBondContact O-CG2 3.5Å; L159-V163 PolarHBondContact O-N 3.17Å; V163-L167 HydrophobicContact CG1-CD1 3.95Å; V163-L167 HydrophobicContact CG1-CG 4.45Å; V163-L167 WeakPolarHBondContact O-CB 3.41Å; V163-L167 VanDerWaalsContact O-CG 3.25Å; V163-L167 WeakPolarHBondContact O-CG 3.17Å; V163-L167 PolarHBondContact O-N 3.49Å
164	C	83	Confident	79.8	Confident	64 Å²	64	41.2 Å²	41.2	43%	0.432	22%	0.223	S	C	.	.	H	α-helix	trans	-64.8	-44.5	176.7	-68.7	0	0	0	0	112.5	L160 S161 V162 L167 V168	L160-C164 PolarHBondContact O-N 3.21Å; L160-C164 PolarHBondContact O-SG 2.94Å; S161-C164 WeakPolarHBondContact O-CB 3.38Å; S161-C164 PolarHBondContact O-N 3.36Å; V162-C164 VanDerWaalsContact C-N 3.29Å; V162-C164 PolarHBondContact O-N 3.22Å; C164-L167 PolarHBondContact O-N 3.06Å; C164-V168 WeakPolarHBondContact O-CG2 3.37Å; C164-V168 PolarHBondContact O-N 2.84Å
165	V	77.4	Confident	79.9	Confident	13 Å²	13	39.7 Å²	39.7	8%	0.079	22%	0.219	C	C	.	.	H	α-helix	trans	-60.4	-51	176.7	170.2	0	0	0	0	110.4	S161 V162 L167 V168 T169	S161-V165 WeakPolarHBondContact O-CG2 3.5Å; S161-V165 PolarHBondContact O-N 3.21Å; V162-V165 PolarHBondContact O-N 3.16Å; V165-L167 VanDerWaalsContact C-N 3.34Å; V165-L167 PolarHBondContact O-N 3.35Å; V165-V168 PolarHBondContact O-N 3.31Å; V165-V168 VanDerWaalsContact O-N 3.13Å; V165-T169 PolarHBondContact O-N 2.64Å; V165-T169 PolarHBondContact O-OG1 3.06Å; V165-T169 VanDerWaalsContact O-OG1 3.12Å
166	V	84.4	Confident	79.7	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.024	23%	0.228	C	C	.	.	H	α-helix	trans	-55.5	-45.8	177.3	165.4	0	0	0	0	111.8	V99 A102 L103 L108 V162 V168 T169 A170	V99-V166 HydrophobicContact CG1-CG1 3.93Å; A102-V166 HydrophobicContact CB-CG1 4.14Å; L103-V166 HydrophobicContact CD2-CG1 4.17Å; L103-V166 HydrophobicContact CD2-CG2 3.86Å; L103-V166 HydrophobicContact CG-CG1 3.88Å; L103-V166 HydrophobicContact CG-CG2 4.28Å; L108-V166 HydrophobicContact CD1-CG2 3.92Å; V162-V166 HydrophobicContact CG1-CG2 4.23Å; V162-V166 WeakPolarHBondContact O-CB 3.3Å; V162-V166 VanDerWaalsContact O-CG2 3.32Å; V162-V166 WeakPolarHBondContact O-CG2 3.48Å; V162-V166 PolarHBondContact O-N 2.84Å; V166-V168 PolarHBondContact O-N 3.26Å; V166-T169 PolarHBondContact O-N 2.98Å; V166-A170 VanDerWaalsContact O-CB 3.29Å; V166-A170 WeakPolarHBondContact O-CB 3.42Å; V166-A170 PolarHBondContact O-N 3.33Å
167	L	86.3	Confident	79.3	Confident	77 Å²	77	42.7 Å²	42.7	40%	0.403	23%	0.227	S	C	.	.	H	α-helix	trans	-64.1	-39	178.4	-75.4	172.1	0	0	0	112.5	F95 V99 V163 C164 V165 F171	F95-L167 HydrophobicContact CE1-CD2 4.15Å; F95-L167 HydrophobicContact CZ-CD2 4.1Å; V99-L167 HydrophobicContact CG2-CD2 4.08Å; V163-L167 HydrophobicContact CG1-CD1 3.95Å; V163-L167 HydrophobicContact CG1-CG 4.45Å; V163-L167 WeakPolarHBondContact O-CB 3.41Å; V163-L167 VanDerWaalsContact O-CG 3.25Å; V163-L167 WeakPolarHBondContact O-CG 3.17Å; V163-L167 PolarHBondContact O-N 3.49Å; C164-L167 PolarHBondContact O-N 3.06Å; V165-L167 VanDerWaalsContact C-N 3.34Å; V165-L167 PolarHBondContact O-N 3.35Å; L167-F171 VanDerWaalsContact O-CB 3.28Å; L167-F171 WeakPolarHBondContact O-CB 3.01Å; L167-F171 PolarHBondContact O-N 3.49Å
168	V	79	Confident	79.3	Confident	46 Å²	46	48.1 Å²	48.1	28%	0.279	25%	0.248	S	C	.	.	H	α-helix	trans	-69.6	-43.1	176.7	176.1	0	0	0	0	111	C164 V165 V166 F171 N172 L929 T933	C164-V168 WeakPolarHBondContact O-CG2 3.37Å; C164-V168 PolarHBondContact O-N 2.84Å; V165-V168 PolarHBondContact O-N 3.31Å; V165-V168 VanDerWaalsContact O-N 3.13Å; V166-V168 PolarHBondContact O-N 3.26Å; V168-F171 PolarHBondContact O-N 3.44Å; V168-N172 WeakPolarHBondContact O-CB 3.24Å; V168-N172 PolarHBondContact O-N 3.35Å; V168-L929 HydrophobicContact CB-CD1 4.27Å; V168-L929 HydrophobicContact CG1-CD1 4.03Å; V168-T933 HydrophobicContact CG1-CG2 3.9Å
169	T	72.5	Confident	78.8	Confident	33 Å²	33	51.1 Å²	51.1	20%	0.202	26%	0.262	C	S	.	.	H	α-helix	trans	-60	-49.3	175.3	-62	0	0	0	0	111.2	A102 V165 V166 F171 N172 D173	A102-T169 HydrophobicContact CB-CG2 4.47Å; V165-T169 PolarHBondContact O-N 2.64Å; V165-T169 PolarHBondContact O-OG1 3.06Å; V165-T169 VanDerWaalsContact O-OG1 3.12Å; V166-T169 PolarHBondContact O-N 2.98Å; T169-F171 VanDerWaalsContact C-N 3.32Å; T169-F171 PolarHBondContact O-N 3.43Å; T169-N172 WeakPolarHBondContact O-CB 3.32Å; T169-N172 PolarHBondContact O-N 2.82Å; T169-N172 VanDerWaalsContact O-N 3.15Å; T169-D173 PolarHBondContact O-N 2.87Å
170	A	83.8	Confident	78	Confident	2 Å²	2	51.4 Å²	51.4	2%	0.017	26%	0.262	C	S	.	.	H	α-helix	trans	-63.4	-34.6	176.8	0	0	0	0	0	112.9	F95 L98 V99 V166 W174	F95-A170 HydrophobicContact CE2-CB 4.04Å; F95-A170 HydrophobicContact CZ-CB 4.36Å; L98-A170 HydrophobicContact CB-CB 4.24Å; V99-A170 HydrophobicContact CB-CB 4.32Å; V99-A170 HydrophobicContact CG2-CB 3.51Å; V166-A170 VanDerWaalsContact O-CB 3.29Å; V166-A170 WeakPolarHBondContact O-CB 3.42Å; V166-A170 PolarHBondContact O-N 3.33Å; A170-W174 VanDerWaalsContact O-CB 3.24Å; A170-W174 WeakPolarHBondContact O-CB 3.45Å; A170-W174 PolarHBondContact O-N 3Å
171	F	82.6	Confident	77.5	Confident	121 Å²	121	52.9 Å²	52.9	53%	0.531	26%	0.259	S	S	.	.	H	α-helix	trans	-67.9	-36.8	174.1	179.8	-95.9	0	0	0	112.5	F95 L167 V168 T169 W174 S175	F95-F171 HydrophobicContact CE2-CB 4.24Å; L167-F171 VanDerWaalsContact O-CB 3.28Å; L167-F171 WeakPolarHBondContact O-CB 3.01Å; L167-F171 PolarHBondContact O-N 3.49Å; V168-F171 PolarHBondContact O-N 3.44Å; T169-F171 VanDerWaalsContact C-N 3.32Å; T169-F171 PolarHBondContact O-N 3.43Å; F171-W174 HydrophobicContact CD2-CE3 4.49Å; F171-W174 HydrophobicContact CE2-CE3 4.36Å; F171-W174 HydrophobicContact CE2-CZ3 4.32Å; F171-S175 VanDerWaalsContact O-CB 3.27Å; F171-S175 WeakPolarHBondContact O-CB 3.36Å; F171-S175 PolarHBondContact O-N 3.29Å; F171-S175 PolarHBondContact O-OG 3.26Å
172	N	70.1	Confident	77.2	Confident	20 Å²	20	54 Å²	54	11%	0.107	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-48.8	174.8	-162.2	-5	0	0	0	110.7	V168 T169 W174 S175 K176 I479	V168-N172 WeakPolarHBondContact O-CB 3.24Å; V168-N172 PolarHBondContact O-N 3.35Å; T169-N172 WeakPolarHBondContact O-CB 3.32Å; T169-N172 PolarHBondContact O-N 2.82Å; T169-N172 VanDerWaalsContact O-N 3.15Å; N172-W174 PolarHBondContact O-N 3.23Å; N172-S175 WeakPolarHBondContact O-CB 3.44Å; N172-S175 PolarHBondContact O-N 2.88Å; N172-S175 VanDerWaalsContact O-N 3.16Å; N172-K176 WeakPolarHBondContact O-CB 3.42Å; N172-K176 PolarHBondContact O-N 2.92Å; N172-I479 WeakPolarHBondContact ND2-CD1 3.44Å; N172-I479 WeakPolarHBondContact OD1-CD1 3.44Å
173	D	73.1	Confident	76.5	Confident	43 Å²	43	54.6 Å²	54.6	23%	0.23	28%	0.277	C	S	.	.	H	α-helix	trans	-67.5	-35.6	178.1	-92.5	-18.5	0	0	0	113.7	T169 S175 K176 E177 L475	T169-D173 PolarHBondContact O-N 2.87Å; D173-S175 VanDerWaalsContact C-N 3.35Å; D173-K176 WeakPolarHBondContact O-CB 3.39Å; D173-K176 PolarHBondContact O-N 3.48Å; D173-K176 WeakPolarHBondContact OD1-CD 3.17Å; D173-K176 WeakPolarHBondContact OD1-CE 3.35Å; D173-K176 IonicContact OD1-NZ 3.97Å; D173-K176 PolarHBondContact OD1-NZ 3Å; D173-K176 IonicContact OD2-NZ 2.66Å; D173-E177 PolarHBondContact O-N 3.16Å; D173-L475 WeakPolarHBondContact OD1-CD1 3.49Å
174	W	82.9	Confident	75.8	Confident	88 Å²	88	55.8 Å²	55.8	33%	0.333	28%	0.278	S	S	.	.	H	α-helix	trans	-63.6	-41.6	170.4	178	82.1	0	0	0	111.9	F95 L98 A170 F171 N172 K176 E177 K178	F95-W174 HydrophobicContact CD2-CB 4.12Å; F95-W174 HydrophobicContact CD2-CG 4.31Å; L98-W174 HydrophobicContact CD1-CB 3.83Å; A170-W174 VanDerWaalsContact O-CB 3.24Å; A170-W174 WeakPolarHBondContact O-CB 3.45Å; A170-W174 PolarHBondContact O-N 3Å; F171-W174 HydrophobicContact CD2-CE3 4.49Å; F171-W174 HydrophobicContact CE2-CE3 4.36Å; F171-W174 HydrophobicContact CE2-CZ3 4.32Å; N172-W174 PolarHBondContact O-N 3.23Å; W174-K176 VanDerWaalsContact C-N 3.29Å; W174-K176 PolarHBondContact O-N 3.18Å; W174-E177 PolarHBondContact O-N 3.42Å; W174-K178 HydrophobicContact CH2-CD 3.84Å; W174-K178 HydrophobicContact CZ2-CD 4.2Å; W174-K178 HydrophobicContact CZ3-CD 4.03Å; W174-K178 VanDerWaalsContact O-CB 3.28Å; W174-K178 WeakPolarHBondContact O-CB 3.48Å; W174-K178 PolarHBondContact O-N 3.05Å
175	S	73.7	Confident	75.3	Confident	27 Å²	27	55.3 Å²	55.3	19%	0.189	28%	0.275	C	S	.	.	H	α-helix	trans	-64.3	-35.9	176.1	-65.4	0	0	0	0	111.9	F171 N172 D173 Q179	F171-S175 VanDerWaalsContact O-CB 3.27Å; F171-S175 WeakPolarHBondContact O-CB 3.36Å; F171-S175 PolarHBondContact O-N 3.29Å; F171-S175 PolarHBondContact O-OG 3.26Å; N172-S175 WeakPolarHBondContact O-CB 3.44Å; N172-S175 PolarHBondContact O-N 2.88Å; N172-S175 VanDerWaalsContact O-N 3.16Å; D173-S175 VanDerWaalsContact C-N 3.35Å; S175-Q179 WeakPolarHBondContact O-CG 3.28Å; S175-Q179 PolarHBondContact O-N 2.89Å; S175-Q179 VanDerWaalsContact O-N 3.1Å
176	K	69.9	Low	75	Confident	46 Å²	46	61.5 Å²	61.5	20%	0.2	30%	0.297	C	S	.	.	H	α-helix	trans	-65	-52.2	172.7	174.5	-176.3	112.2	-170.1	0	111.8	N172 D173 W174 K178 Q179 F180 L475 T478	N172-K176 WeakPolarHBondContact O-CB 3.42Å; N172-K176 PolarHBondContact O-N 2.92Å; D173-K176 WeakPolarHBondContact O-CB 3.39Å; D173-K176 PolarHBondContact O-N 3.48Å; D173-K176 WeakPolarHBondContact OD1-CD 3.17Å; D173-K176 WeakPolarHBondContact OD1-CE 3.35Å; D173-K176 IonicContact OD1-NZ 3.97Å; D173-K176 PolarHBondContact OD1-NZ 3Å; D173-K176 IonicContact OD2-NZ 2.66Å; W174-K176 VanDerWaalsContact C-N 3.29Å; W174-K176 PolarHBondContact O-N 3.18Å; K176-K178 VanDerWaalsContact C-N 3.29Å; K176-K178 PolarHBondContact O-N 3Å; K176-Q179 WeakPolarHBondContact O-CB 3.48Å; K176-Q179 PolarHBondContact O-N 3.4Å; K176-Q179 VanDerWaalsContact O-N 3.09Å; K176-F180 HydrophobicContact CD-CE2 4.41Å; K176-F180 HydrophobicContact CG-CD2 4.03Å; K176-F180 HydrophobicContact CG-CE2 3.6Å; K176-F180 VanDerWaalsContact O-CD2 3.28Å; K176-F180 WeakPolarHBondContact O-CD2 3.48Å; K176-F180 PolarHBondContact O-N 3.5Å; K176-L475 HydrophobicContact CD-CD1 4.37Å; K176-T478 HydrophobicContact CD-CG2 3.55Å; K176-T478 HydrophobicContact CG-CG2 4.14Å
177	E	73.4	Confident	74.4	Confident	48 Å²	48	62.9 Å²	62.9	22%	0.224	30%	0.304	C	S	.	.	H	α-helix	trans	-57.7	-42.1	174.9	-76.8	-158.5	176.2	0	0	112	K93 D173 W174 Q179 F180 R181	K93-E177 PolarHBondContact N-OE2 3.35Å; D173-E177 PolarHBondContact O-N 3.16Å; W174-E177 PolarHBondContact O-N 3.42Å; E177-Q179 VanDerWaalsContact C-N 3.29Å; E177-Q179 PolarHBondContact O-N 2.83Å; E177-F180 PolarHBondContact O-N 2.93Å; E177-R181 WeakPolarHBondContact O-CG 3.22Å; E177-R181 PolarHBondContact O-N 3.14Å
178	K	78.2	Confident	73.6	Confident	126 Å²	126	62.8 Å²	62.8	55%	0.548	30%	0.301	S	S	.	.	H	α-helix	trans	-60.2	-37.3	176.3	-176.1	178.6	-179.2	178.3	0	112.5	W174 K176 G182	W174-K178 HydrophobicContact CH2-CD 3.84Å; W174-K178 HydrophobicContact CZ2-CD 4.2Å; W174-K178 HydrophobicContact CZ3-CD 4.03Å; W174-K178 VanDerWaalsContact O-CB 3.28Å; W174-K178 WeakPolarHBondContact O-CB 3.48Å; W174-K178 PolarHBondContact O-N 3.05Å; K176-K178 VanDerWaalsContact C-N 3.29Å; K176-K178 PolarHBondContact O-N 3Å; K178-G182 PolarHBondContact O-N 3.27Å
179	Q	69.4	Low	73.3	Confident	64 Å²	64	65.5 Å²	65.5	30%	0.299	31%	0.311	S	S	.	.	H	α-helix	trans	-68	-45.5	174.3	-72.9	-178.8	36.8	0	0	111.8	S175 K176 E177 R181 G182 L183	S175-Q179 WeakPolarHBondContact O-CG 3.28Å; S175-Q179 PolarHBondContact O-N 2.89Å; S175-Q179 VanDerWaalsContact O-N 3.1Å; K176-Q179 WeakPolarHBondContact O-CB 3.48Å; K176-Q179 PolarHBondContact O-N 3.4Å; K176-Q179 VanDerWaalsContact O-N 3.09Å; E177-Q179 VanDerWaalsContact C-N 3.29Å; E177-Q179 PolarHBondContact O-N 2.83Å; Q179-R181 PolarHBondContact O-N 2.93Å; Q179-G182 PolarHBondContact O-N 3.06Å; Q179-L183 PolarHBondContact O-N 3.08Å; Q179-L183 VanDerWaalsContact O-N 3.14Å
180	F	68.3	Low	73.2	Confident	50 Å²	50	68.9 Å²	68.9	22%	0.219	33%	0.325	C	S	.	.	H	α-helix	trans	-60.3	-43.1	176.4	-74.3	-57.8	0	0	0	112.9	K176 E177 G182 L183 Q184 T478 A482 L498	K176-F180 HydrophobicContact CD-CE2 4.41Å; K176-F180 HydrophobicContact CG-CD2 4.03Å; K176-F180 HydrophobicContact CG-CE2 3.6Å; K176-F180 VanDerWaalsContact O-CD2 3.28Å; K176-F180 WeakPolarHBondContact O-CD2 3.48Å; K176-F180 PolarHBondContact O-N 3.5Å; E177-F180 PolarHBondContact O-N 2.93Å; F180-G182 VanDerWaalsContact C-N 3.29Å; F180-G182 PolarHBondContact O-N 3.03Å; F180-L183 HydrophobicContact CD1-CD1 4.38Å; F180-L183 WeakPolarHBondContact O-CB 3.03Å; F180-L183 PolarHBondContact O-N 3.1Å; F180-L183 VanDerWaalsContact O-N 3.13Å; F180-Q184 PolarHBondContact O-N 2.84Å; F180-T478 HydrophobicContact CE2-CG2 3.96Å; F180-T478 HydrophobicContact CZ-CG2 4.01Å; F180-A482 HydrophobicContact CE1-CB 4.19Å; F180-A482 HydrophobicContact CE2-CB 4.32Å; F180-A482 HydrophobicContact CZ-CB 3.86Å; F180-L498 HydrophobicContact CD1-CD1 4.17Å; F180-L498 HydrophobicContact CD1-CD2 4.46Å; F180-L498 HydrophobicContact CE1-CD1 3.38Å; F180-L498 HydrophobicContact CE1-CD2 3.76Å; F180-L498 HydrophobicContact CE1-CG 4.23Å; F180-L498 HydrophobicContact CZ-CD1 3.82Å
181	R	73.6	Confident	72.9	Confident	147 Å²	147	73.2 Å²	73.2	56%	0.555	34%	0.344	S	S	*	.	H	α-helix	trans	-62.2	-36.2	175.5	-69.8	174.8	65.8	-157.9	-3.1	112.7	E177 Q179 L183 S185	E177-R181 WeakPolarHBondContact O-CG 3.22Å; E177-R181 PolarHBondContact O-N 3.14Å; Q179-R181 PolarHBondContact O-N 2.93Å; R181-L183 VanDerWaalsContact C-N 3.31Å; R181-L183 PolarHBondContact O-N 3.38Å; R181-S185 WeakPolarHBondContact O-CB 3.42Å; R181-S185 PolarHBondContact O-N 2.97Å
182	G	71.7	Confident	73	Confident	43 Å²	43	73 Å²	73	44%	0.443	34%	0.343	S	S	.	.	H	α-helix	trans	-66.4	-30.3	174.7	0	0	0	0	0	113.7	K178 Q179 F180 R186	K178-G182 PolarHBondContact O-N 3.27Å; Q179-G182 PolarHBondContact O-N 3.06Å; F180-G182 VanDerWaalsContact C-N 3.29Å; F180-G182 PolarHBondContact O-N 3.03Å; G182-R186 WeakPolarHBondContact O-CG 3.42Å
183	L	67.7	Low	73.9	Confident	14 Å²	14	72.3 Å²	72.3	7%	0.073	34%	0.339	C	S	.	.	H	α-helix	trans	-75.5	-49.4	172.9	-66.5	165	0	0	0	111	Q179 F180 R181 S185 R186 I187 V485 M489	Q179-L183 PolarHBondContact O-N 3.08Å; Q179-L183 VanDerWaalsContact O-N 3.14Å; F180-L183 HydrophobicContact CD1-CD1 4.38Å; F180-L183 WeakPolarHBondContact O-CB 3.03Å; F180-L183 PolarHBondContact O-N 3.1Å; F180-L183 VanDerWaalsContact O-N 3.13Å; R181-L183 VanDerWaalsContact C-N 3.31Å; R181-L183 PolarHBondContact O-N 3.38Å; L183-S185 PolarHBondContact O-N 2.94Å; L183-R186 WeakPolarHBondContact O-CA 3.34Å; L183-R186 WeakPolarHBondContact O-CB 3.34Å; L183-R186 PolarHBondContact O-N 2.95Å; L183-I187 PolarHBondContact O-N 3.27Å; L183-V485 HydrophobicContact CD1-CB 4.34Å; L183-V485 HydrophobicContact CD1-CG1 3.62Å; L183-V485 HydrophobicContact CD2-CG1 4Å; L183-V485 HydrophobicContact CG-CG1 4.44Å; L183-M489 HydrophobicContact CD2-SD 3.9Å
184	Q	70.4	Confident	74.7	Confident	96 Å²	96	72.6 Å²	72.6	45%	0.449	34%	0.339	S	S	.	.	H	α-helix	trans	-55.9	-48.1	179.3	-177.1	60.6	29.6	0	0	112	F180 R186 I187 E188	F180-Q184 PolarHBondContact O-N 2.84Å; Q184-R186 PolarHBondContact O-N 3.17Å; Q184-R186 VanDerWaalsContact O-N 3.15Å; Q184-I187 PolarHBondContact O-N 3.39Å; Q184-I187 VanDerWaalsContact O-N 3.16Å; Q184-E188 WeakPolarHBondContact CG-OE1 3.18Å; Q184-E188 PolarHBondContact NE2-OE1 2.71Å; Q184-E188 WeakPolarHBondContact O-CG 3.32Å; Q184-E188 PolarHBondContact O-N 3.34Å; Q184-E188 VanDerWaalsContact O-N 3.08Å
185	S	74	Confident	75.2	Confident	54 Å²	54	68.4 Å²	68.4	38%	0.378	32%	0.323	S	S	.	.	H	α-helix	trans	-62.7	-20.3	176.9	174.7	0	0	0	0	113.9	R181 L183 Q189	R181-S185 WeakPolarHBondContact O-CB 3.42Å; R181-S185 PolarHBondContact O-N 2.97Å; L183-S185 PolarHBondContact O-N 2.94Å; S185-Q189 VanDerWaalsContact O-CG 3.28Å; S185-Q189 WeakPolarHBondContact O-CG 3.22Å
186	R	70.7	Confident	76	Confident	143 Å²	143	67.3 Å²	67.3	54%	0.54	32%	0.316	S	S	.	.	H	α-helix	trans	-84.1	-41.1	174.1	-75.9	-69.4	-169.7	170.1	2.4	111.8	G182 L183 Q184 E188 Q189 E190 M489	G182-R186 WeakPolarHBondContact O-CG 3.42Å; L183-R186 WeakPolarHBondContact O-CA 3.34Å; L183-R186 WeakPolarHBondContact O-CB 3.34Å; L183-R186 PolarHBondContact O-N 2.95Å; Q184-R186 PolarHBondContact O-N 3.17Å; Q184-R186 VanDerWaalsContact O-N 3.15Å; R186-E188 VanDerWaalsContact C-N 3.27Å; R186-E188 PolarHBondContact O-N 2.99Å; R186-Q189 PolarHBondContact O-N 3.17Å; R186-Q189 VanDerWaalsContact O-N 3.08Å; R186-E190 PolarHBondContact O-N 2.74Å; R186-M489 HydrophobicContact CB-SD 4.44Å; R186-M489 HydrophobicContact CG-SD 4.46Å
187	I	70.4	Confident	77	Confident	32 Å²	32	66.4 Å²	66.4	16%	0.164	31%	0.311	C	S	.	.	H	α-helix	trans	-56.2	-45.6	173.9	-64.1	167	0	0	0	109.9	L183 Q184 Q189 E190 L494	L183-I187 PolarHBondContact O-N 3.27Å; Q184-I187 PolarHBondContact O-N 3.39Å; Q184-I187 VanDerWaalsContact O-N 3.16Å; I187-Q189 VanDerWaalsContact C-N 3.26Å; I187-Q189 PolarHBondContact O-N 2.73Å; I187-E190 PolarHBondContact O-N 2.69Å; I187-L494 HydrophobicContact CG1-CD1 3.83Å; I187-L494 HydrophobicContact CG1-CD2 4.11Å; I187-L494 HydrophobicContact CG1-CG 4.16Å
188	E	70.4	Confident	77.6	Confident	75 Å²	75	66.3 Å²	66.3	35%	0.35	32%	0.323	S	S	.	.	H	α-helix	trans	-63.7	-25.3	177.8	-70.9	165	-170.6	0	0	113.8	Q184 R186	Q184-E188 WeakPolarHBondContact CG-OE1 3.18Å; Q184-E188 PolarHBondContact NE2-OE1 2.71Å; Q184-E188 WeakPolarHBondContact O-CG 3.32Å; Q184-E188 PolarHBondContact O-N 3.34Å; Q184-E188 VanDerWaalsContact O-N 3.08Å; R186-E188 VanDerWaalsContact C-N 3.27Å; R186-E188 PolarHBondContact O-N 2.99Å
189	Q	72.7	Confident	77.8	Confident	104 Å²	104	63.6 Å²	63.6	49%	0.486	32%	0.319	S	S	.	.	H	α-helix	trans	-84.4	-20.2	179	-76.8	174.2	1.6	0	0	114	S185 R186 I187	S185-Q189 VanDerWaalsContact O-CG 3.28Å; S185-Q189 WeakPolarHBondContact O-CG 3.22Å; R186-Q189 PolarHBondContact O-N 3.17Å; R186-Q189 VanDerWaalsContact O-N 3.08Å; I187-Q189 VanDerWaalsContact C-N 3.26Å; I187-Q189 PolarHBondContact O-N 2.73Å
190	E	70.8	Confident	78.5	Confident	103 Å²	103	67 Å²	67	48%	0.481	34%	0.336	S	S	.	.	H	α-helix	trans	-82	-22.2	179.4	-70.2	-164	171.1	0	0	113	R186 I187 K192 L494	R186-E190 PolarHBondContact O-N 2.74Å; I187-E190 PolarHBondContact O-N 2.69Å; E190-K192 PolarHBondContact O-N 2.69Å; E190-L494 WeakPolarHBondContact OE2-CD2 3.2Å
191	Q	76.3	Confident	79.2	Confident	93 Å²	93	68.3 Å²	68.3	44%	0.435	35%	0.347	S	S	.	.			trans	-71	113.2	175.9	-68.5	-174.6	-31.1	0	0	111.3	P205 V206	Q191-P205 WeakPolarHBondContact O-CA 3.15Å; Q191-V206 HydrophobicContact CB-CB 4.5Å; Q191-V206 HydrophobicContact CB-CG2 4.01Å; Q191-V206 PolarHBondContact O-N 2.97Å
192	K	85.3	Confident	79.9	Confident	116 Å²	116	63.9 Å²	63.9	50%	0.504	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144	-178.5	-64.6	176.7	-173.9	175.1	0	111.4	E190 L204	E190-K192 PolarHBondContact O-N 2.69Å; K192-L204 CarbonylContact C-O 3.54Å; K192-L204 WeakPolarHBondContact CA-O 3.41Å; K192-L204 WeakPolarHBondContact CB-O 3.36Å
193	F	89.4	Confident	80.6	Confident	6 Å²	6	67.6 Å²	67.6	3%	0.026	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	155.4	178.5	-147	-95.9	0	0	0	112.3	Q203 L204 I209 A215 I217 D221 L222 L223 P224	F193-Q203 WeakPolarHBondContact O-CA 3.49Å; F193-L204 PolarHBondContact N-O 2.87Å; F193-L204 PolarHBondContact O-N 3.02Å; F193-I209 HydrophobicContact CB-CD1 3.75Å; F193-I209 HydrophobicContact CG-CD1 4.37Å; F193-A215 HydrophobicContact CD1-CB 4.17Å; F193-A215 HydrophobicContact CE1-CB 3.91Å; F193-I217 HydrophobicContact CE1-CG2 4.06Å; F193-I217 HydrophobicContact CZ-CG2 3.99Å; F193-D221 HydrophobicContact CE2-CB 3.88Å; F193-D221 HydrophobicContact CZ-CB 4.04Å; F193-L222 VanDerWaalsContact CE2-O 3.25Å; F193-L222 WeakPolarHBondContact CE2-O 3.48Å; F193-L223 HydrophobicContact CZ-CD2 4.48Å; F193-P224 HydrophobicContact CB-CG 4.23Å; F193-P224 HydrophobicContact CD1-CG 4.07Å; F193-P224 HydrophobicContact CD2-CB 4.4Å; F193-P224 HydrophobicContact CD2-CG 3.77Å; F193-P224 HydrophobicContact CE1-CG 4.47Å; F193-P224 HydrophobicContact CE2-CG 4.17Å; F193-P224 HydrophobicContact CG-CG 3.72Å
194	Q	90.3	Very high	81.5	Confident	49 Å²	49	68.3 Å²	68.3	23%	0.229	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.9	176.7	-65.8	-174	11.5	0	0	110.5	V201 Q203 Q216	Q194-V201 HydrophobicContact CB-CG1 4.21Å; Q194-Q203 HydrophobicContact CG-CG 3.96Å; Q194-Q216 HydrophobicContact CB-CB 4.42Å; Q194-Q216 PolarHBondContact O-N 2.81Å
195	V	92.6	Very high	82.4	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	153.2	174.8	-57.1	0	0	0	0	110.9	R197 V201 I202 L204 I209 D213 I214	V195-R197 HydrophobicContact CG2-CG 4.27Å; V195-V201 WeakPolarHBondContact O-CA 3.34Å; V195-I202 HydrophobicContact CG2-CD1 4.33Å; V195-I202 HydrophobicContact CG2-CG1 3.8Å; V195-I202 PolarHBondContact N-O 3.38Å; V195-I202 PolarHBondContact O-N 2.96Å; V195-L204 HydrophobicContact CG2-CD1 3.49Å; V195-L204 VanDerWaalsContact CG2-CD1 3.49Å; V195-L204 HydrophobicContact CG2-CG 3.88Å; V195-I209 HydrophobicContact CG1-CG1 4.49Å; V195-D213 HydrophobicContact CG1-CB 4.49Å; V195-I214 CarbonylContact C-O 3.36Å; V195-I214 VanDerWaalsContact CA-O 3.27Å; V195-I214 WeakPolarHBondContact CA-O 3.44Å
196	V	90.8	Very high	83.2	Confident	4 Å²	4	64.8 Å²	64.8	2%	0.024	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.2	172.1	-165.7	0	0	0	0	108.7	G67 Q200 V201 I214	G67-V196 WeakPolarHBondContact CA-O 3.37Å; V196-Q200 WeakPolarHBondContact CA-O 3.38Å; V196-V201 HydrophobicContact CG2-CG2 4.43Å; V196-I214 HydrophobicContact CB-CB 4.25Å; V196-I214 HydrophobicContact CB-CG2 4.49Å; V196-I214 HydrophobicContact CG2-CG2 4.25Å; V196-I214 PolarHBondContact N-O 3.37Å
197	R	91.3	Very high	84	Confident	28 Å²	28	60 Å²	60	11%	0.106	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	133.3	168.5	-65.6	-167.6	-177.4	159.6	2.6	109.1	L68 V195 S199 Q200 I202 L204 D208 D213	L68-R197 HydrophobicContact CB-CG 4.35Å; L68-R197 CarbonylContact O-C 3.57Å; L68-R197 WeakPolarHBondContact O-CA 3.35Å; L68-R197 VanDerWaalsContact O-CB 3.31Å; L68-R197 WeakPolarHBondContact O-CB 3.26Å; V195-R197 HydrophobicContact CG2-CG 4.27Å; R197-S199 VanDerWaalsContact C-N 3.31Å; R197-S199 PolarHBondContact O-N 2.73Å; R197-Q200 PolarHBondContact N-O 3.18Å; R197-Q200 PolarHBondContact O-N 2.93Å; R197-Q200 VanDerWaalsContact O-O 3.11Å; R197-I202 HydrophobicContact CB-CD1 3.97Å; R197-I202 HydrophobicContact CG-CD1 4.11Å; R197-L204 VanDerWaalsContact NH1-CD1 3.29Å; R197-D208 PolarHBondContact NH2-O 2.95Å; R197-D208 VanDerWaalsContact NH2-O 3.08Å; R197-D213 IonicContact CZ-OD1 2.84Å; R197-D213 IonicContact CZ-OD2 3.06Å; R197-D213 IonicContact NE-OD1 3.95Å; R197-D213 PolarHBondContact NE-OD1 2.87Å; R197-D213 IonicContact NE-OD2 3.78Å; R197-D213 VanDerWaalsContact NH2-CG 3.35Å; R197-D213 IonicContact NH2-OD1 2.73Å; R197-D213 PolarHBondContact NH2-OD1 3.48Å; R197-D213 IonicContact NH2-OD2 3.79Å; R197-D213 PolarHBondContact NH2-OD2 3.14Å
198	G	86.3	Confident	85	Confident	45 Å²	45	61.7 Å²	61.7	46%	0.464	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	40.1	-179.3	0	0	0	0	0	113.9	E66 L68 Q200	E66-G198 PolarHBondContact O-N 2.97Å; L68-G198 PolarHBondContact O-N 2.87Å; G198-Q200 PolarHBondContact O-N 3.47Å; G198-Q200 VanDerWaalsContact O-N 3.12Å
199	S	82.1	Confident	86	Confident	69 Å²	69	58.2 Å²	58.2	48%	0.483	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	12.8	-174.6	-59.2	0	0	0	0	115.4	E66 R197	E66-S199 WeakPolarHBondContact CB-OG 3.38Å; E66-S199 VanDerWaalsContact CD-OG 3.3Å; E66-S199 WeakPolarHBondContact CG-OG 3.47Å; E66-S199 PolarHBondContact O-N 2.72Å; E66-S199 PolarHBondContact OE1-OG 3.33Å; E66-S199 VanDerWaalsContact OE1-OG 3.13Å; R197-S199 VanDerWaalsContact C-N 3.31Å; R197-S199 PolarHBondContact O-N 2.73Å
200	Q	83.1	Confident	87.1	Confident	137 Å²	137	53.3 Å²	53.3	64%	0.64	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	139	174.9	-62.1	-171.8	4.7	0	0	111.1	V196 R197 G198 I202	V196-Q200 WeakPolarHBondContact CA-O 3.38Å; R197-Q200 PolarHBondContact N-O 3.18Å; R197-Q200 PolarHBondContact O-N 2.93Å; R197-Q200 VanDerWaalsContact O-O 3.11Å; G198-Q200 PolarHBondContact O-N 3.47Å; G198-Q200 VanDerWaalsContact O-N 3.12Å; Q200-I202 HydrophobicContact CB-CG2 4.38Å; Q200-I202 PolarHBondContact O-N 3.29Å
201	V	84.4	Confident	88.2	Confident	76 Å²	76	48.5 Å²	48.5	46%	0.461	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	114.4	171.6	-175.1	0	0	0	0	108.2	Q194 V195 V196	Q194-V201 HydrophobicContact CB-CG1 4.21Å; V195-V201 WeakPolarHBondContact O-CA 3.34Å; V196-V201 HydrophobicContact CG2-CG2 4.43Å
202	I	87.7	Confident	88.9	Confident	54 Å²	54	44 Å²	44	28%	0.277	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	150.7	-179.5	62.6	172.6	0	0	0	110.6	V195 R197 Q200 L204	V195-I202 HydrophobicContact CG2-CD1 4.33Å; V195-I202 HydrophobicContact CG2-CG1 3.8Å; V195-I202 PolarHBondContact N-O 3.38Å; V195-I202 PolarHBondContact O-N 2.96Å; R197-I202 HydrophobicContact CB-CD1 3.97Å; R197-I202 HydrophobicContact CG-CD1 4.11Å; Q200-I202 HydrophobicContact CB-CG2 4.38Å; Q200-I202 PolarHBondContact O-N 3.29Å; I202-L204 HydrophobicContact CD1-CD1 4.16Å; I202-L204 HydrophobicContact CD1-CD2 3.86Å; I202-L204 HydrophobicContact CD1-CG 4Å; I202-L204 HydrophobicContact CG1-CD2 4.41Å; I202-L204 HydrophobicContact CG1-CG 4.2Å
203	Q	85.1	Confident	89.4	Confident	122 Å²	122	38.5 Å²	38.5	57%	0.57	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	119.8	171.7	-74.2	-175.7	8.1	0	0	110	F193 Q194	F193-Q203 WeakPolarHBondContact O-CA 3.49Å; Q194-Q203 HydrophobicContact CG-CG 3.96Å
204	L	88.5	Confident	89.6	Confident	28 Å²	28	38.2 Å²	38.2	15%	0.147	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	150.2	177	-64.2	-177.8	0	0	0	111	K192 F193 V195 R197 I202	K192-L204 CarbonylContact C-O 3.54Å; K192-L204 WeakPolarHBondContact CA-O 3.41Å; K192-L204 WeakPolarHBondContact CB-O 3.36Å; F193-L204 PolarHBondContact N-O 2.87Å; F193-L204 PolarHBondContact O-N 3.02Å; V195-L204 HydrophobicContact CG2-CD1 3.49Å; V195-L204 VanDerWaalsContact CG2-CD1 3.49Å; V195-L204 HydrophobicContact CG2-CG 3.88Å; R197-L204 VanDerWaalsContact NH1-CD1 3.29Å; I202-L204 HydrophobicContact CD1-CD1 4.16Å; I202-L204 HydrophobicContact CD1-CD2 3.86Å; I202-L204 HydrophobicContact CD1-CG 4Å; I202-L204 HydrophobicContact CG1-CD2 4.41Å; I202-L204 HydrophobicContact CG1-CG 4.2Å
205	P	89.1	Confident	89.8	Confident	45 Å²	45	35.9 Å²	35.9	29%	0.292	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	143.1	163.9	-20.4	32.9	0	0	0	110.7	Q191 A207 D208	Q191-P205 WeakPolarHBondContact O-CA 3.15Å; P205-A207 PolarHBondContact O-N 3.5Å; P205-A207 VanDerWaalsContact O-N 3.13Å; P205-D208 PolarHBondContact O-N 3.04Å
206	V	89.7	Confident	89.7	Confident	31 Å²	31	38.9 Å²	38.9	19%	0.188	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-54	-35.8	-179.4	163.3	0	0	0	0	112.6	N85 Q191 D208 I209 P224	N85-V206 PolarHBondContact ND2-O 2.76Å; Q191-V206 HydrophobicContact CB-CB 4.5Å; Q191-V206 HydrophobicContact CB-CG2 4.01Å; Q191-V206 PolarHBondContact O-N 2.97Å; V206-D208 VanDerWaalsContact C-N 3.25Å; V206-D208 PolarHBondContact O-N 3.39Å; V206-I209 WeakPolarHBondContact O-CG1 3.32Å; V206-I209 PolarHBondContact O-N 3.4Å; V206-P224 HydrophobicContact CB-CB 4.43Å; V206-P224 HydrophobicContact CG1-CB 3.8Å; V206-P224 HydrophobicContact CG2-CB 3.94Å
207	A	88.3	Confident	89.7	Confident	44 Å²	44	38.7 Å²	38.7	36%	0.364	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-68.1	-15.2	179	0	0	0	0	0	115.4	N85 P205	N85-A207 WeakPolarHBondContact O-CA 3.3Å; P205-A207 PolarHBondContact O-N 3.5Å; P205-A207 VanDerWaalsContact O-N 3.13Å
208	D	90.5	Very high	89.4	Confident	67 Å²	67	42 Å²	42	36%	0.358	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-101.5	3.7	-179.2	-82.5	-48	0	0	0	114.4	K79 R197 P205 V206	K79-D208 IonicContact NZ-OD1 3.53Å; K79-D208 PolarHBondContact NZ-OD1 3.04Å; R197-D208 PolarHBondContact NH2-O 2.95Å; R197-D208 VanDerWaalsContact NH2-O 3.08Å; P205-D208 PolarHBondContact O-N 3.04Å; V206-D208 VanDerWaalsContact C-N 3.25Å; V206-D208 PolarHBondContact O-N 3.39Å
209	I	92.8	Very high	89.1	Confident	1 Å²	1	44 Å²	44	1%	0.005	23%	0.231	C	C	.	.			trans	-71.6	137.4	169.9	-59.4	173.9	0	0	0	109	N85 F193 V195 V206 D213 P224 A225 V274	N85-I209 WeakPolarHBondContact CB-O 3.23Å; F193-I209 HydrophobicContact CB-CD1 3.75Å; F193-I209 HydrophobicContact CG-CD1 4.37Å; V195-I209 HydrophobicContact CG1-CG1 4.49Å; V206-I209 WeakPolarHBondContact O-CG1 3.32Å; V206-I209 PolarHBondContact O-N 3.4Å; I209-D213 HydrophobicContact CG2-CB 4.45Å; I209-P224 HydrophobicContact CD1-CB 3.76Å; I209-P224 HydrophobicContact CD1-CG 3.45Å; I209-P224 VanDerWaalsContact CD1-CG 3.45Å; I209-A225 HydrophobicContact CG2-CB 4.5Å; I209-V274 HydrophobicContact CG2-CG1 4.26Å; I209-V274 HydrophobicContact CG2-CG2 3.94Å
210	V	94.4	Very high	88.6	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.006	21%	0.209	C	C	.	.			trans	-130.2	159.2	-179.5	-60.6	0	0	0	0	111.8	L68 L75 R78 K79 G212 D213	L68-V210 HydrophobicContact CD1-CG2 3.82Å; L75-V210 HydrophobicContact CD2-CG2 3.79Å; R78-V210 HydrophobicContact CB-CB 4.21Å; R78-V210 HydrophobicContact CB-CG2 4.42Å; K79-V210 HydrophobicContact CD-CG1 4.37Å; K79-V210 HydrophobicContact CG-CG1 3.73Å; V210-G212 PolarHBondContact O-N 2.94Å; V210-D213 WeakPolarHBondContact CG2-OD2 3.12Å; V210-D213 PolarHBondContact N-OD2 3.39Å; V210-D213 WeakPolarHBondContact O-CB 3.14Å; V210-D213 PolarHBondContact O-N 3.49Å
211	V	94.6	Very high	88.6	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.012	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	129	174.9	175.2	0	0	0	0	110.8	L31 L60 R78 F82 T275 V277	L31-V211 HydrophobicContact CD1-CG1 3.9Å; L60-V211 HydrophobicContact CD1-CG1 4.35Å; L60-V211 HydrophobicContact CD2-CG1 3.92Å; R78-V211 WeakPolarHBondContact CD-O 3.48Å; R78-V211 PolarHBondContact NH1-O 3.21Å; F82-V211 HydrophobicContact CB-CB 3.88Å; F82-V211 HydrophobicContact CB-CG2 3.64Å; F82-V211 HydrophobicContact CD1-CB 4.36Å; F82-V211 HydrophobicContact CD1-CG1 4.1Å; F82-V211 HydrophobicContact CD2-CB 4.09Å; F82-V211 HydrophobicContact CD2-CG1 4.32Å; F82-V211 HydrophobicContact CE1-CG1 4.42Å; F82-V211 HydrophobicContact CG-CB 3.86Å; F82-V211 HydrophobicContact CG-CG1 4.06Å; F82-V211 HydrophobicContact CG-CG2 4.09Å; V211-T275 WeakPolarHBondContact CG2-O 3.39Å; V211-V277 HydrophobicContact CG2-CG1 4.13Å; V211-V277 HydrophobicContact CG2-CG2 4.07Å
212	G	91.8	Very high	88.7	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	-4.5	-172.4	0	0	0	0	0	115.2	T62 L68 V210 V274	T62-G212 WeakPolarHBondContact CB-O 3.48Å; T62-G212 WeakPolarHBondContact CG2-O 3.21Å; T62-G212 PolarHBondContact OG1-O 3.24Å; L68-G212 WeakPolarHBondContact CG-O 3.34Å; V210-G212 PolarHBondContact O-N 2.94Å; G212-V274 PolarHBondContact N-O 3.29Å
213	D	94.4	Very high	88.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.			trans	-61.6	147.8	164.9	-85.9	-40.9	0	0	0	110.9	L68 V195 R197 I209 V210 V274	L68-D213 WeakPolarHBondContact CD1-OD1 3.31Å; V195-D213 HydrophobicContact CG1-CB 4.49Å; R197-D213 IonicContact CZ-OD1 2.84Å; R197-D213 IonicContact CZ-OD2 3.06Å; R197-D213 IonicContact NE-OD1 3.95Å; R197-D213 PolarHBondContact NE-OD1 2.87Å; R197-D213 IonicContact NE-OD2 3.78Å; R197-D213 VanDerWaalsContact NH2-CG 3.35Å; R197-D213 IonicContact NH2-OD1 2.73Å; R197-D213 PolarHBondContact NH2-OD1 3.48Å; R197-D213 IonicContact NH2-OD2 3.79Å; R197-D213 PolarHBondContact NH2-OD2 3.14Å; I209-D213 HydrophobicContact CG2-CB 4.45Å; V210-D213 WeakPolarHBondContact CG2-OD2 3.12Å; V210-D213 PolarHBondContact N-OD2 3.39Å; V210-D213 WeakPolarHBondContact O-CB 3.14Å; V210-D213 PolarHBondContact O-N 3.49Å; D213-V274 HydrophobicContact CB-CB 4.48Å; D213-V274 HydrophobicContact CB-CG2 4.12Å; D213-V274 PolarHBondContact O-N 2.93Å
214	I	94.7	Very high	89.1	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	102.8	170.9	-55.3	-54.5	0	0	0	108.1	T62 S63 V195 V196 I230 R271 M272 V273	T62-I214 HydrophobicContact CG2-CD1 4.23Å; S63-I214 WeakPolarHBondContact O-CG1 3.14Å; V195-I214 CarbonylContact C-O 3.36Å; V195-I214 VanDerWaalsContact CA-O 3.27Å; V195-I214 WeakPolarHBondContact CA-O 3.44Å; V196-I214 HydrophobicContact CB-CB 4.25Å; V196-I214 HydrophobicContact CB-CG2 4.49Å; V196-I214 HydrophobicContact CG2-CG2 4.25Å; V196-I214 PolarHBondContact N-O 3.37Å; I214-I230 HydrophobicContact CD1-CD1 3.76Å; I214-I230 HydrophobicContact CG2-CD1 4.23Å; I214-R271 HydrophobicContact CG2-CB 4.42Å; I214-M272 CarbonylContact C-O 3.51Å; I214-M272 WeakPolarHBondContact CA-O 3.1Å; I214-V273 HydrophobicContact CD1-CB 3.8Å; I214-V273 HydrophobicContact CD1-CG2 4.01Å
215	A	93.7	Very high	89.3	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	130.1	176.5	0	0	0	0	0	110.3	F193 R271 M272 V274	F193-A215 HydrophobicContact CD1-CB 4.17Å; F193-A215 HydrophobicContact CE1-CB 3.91Å; A215-R271 WeakPolarHBondContact O-CA 3.47Å; A215-M272 HydrophobicContact CB-CE 3.73Å; A215-M272 HydrophobicContact CB-CG 3.68Å; A215-M272 HydrophobicContact CB-SD 4.46Å; A215-M272 PolarHBondContact N-O 3.19Å; A215-M272 PolarHBondContact O-N 3.3Å; A215-V274 HydrophobicContact CB-CG2 4.28Å
216	Q	90.7	Very high	89.6	Confident	62 Å²	62	21.3 Å²	21.3	29%	0.29	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	114.6	173.2	-176.9	170.7	2.7	0	0	108.6	Q194	Q194-Q216 HydrophobicContact CB-CB 4.42Å; Q194-Q216 PolarHBondContact O-N 2.81Å
217	I	91.6	Very high	89.8	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.1	-172.9	65.2	-179.7	0	0	0	110.4	F193 L223 L229 L235 L259 S269 G270 M272	F193-I217 HydrophobicContact CE1-CG2 4.06Å; F193-I217 HydrophobicContact CZ-CG2 3.99Å; I217-L223 HydrophobicContact CB-CD2 4.32Å; I217-L223 HydrophobicContact CG2-CD2 3.7Å; I217-L229 HydrophobicContact CD1-CD1 4.21Å; I217-L235 HydrophobicContact CD1-CD1 4.13Å; I217-L235 HydrophobicContact CD1-CD2 3.63Å; I217-L235 HydrophobicContact CG1-CD1 4.48Å; I217-L259 HydrophobicContact CD1-CD1 3.84Å; I217-S269 CarbonylContact O-C 3.55Å; I217-S269 WeakPolarHBondContact O-CA 3.17Å; I217-S269 WeakPolarHBondContact O-CB 3.25Å; I217-G270 PolarHBondContact N-O 3.36Å; I217-G270 PolarHBondContact O-N 3.37Å; I217-M272 HydrophobicContact CG2-CE 4.45Å; I217-M272 HydrophobicContact CG2-CG 4.2Å; I217-M272 HydrophobicContact CG2-SD 3.99Å
218	K	84.3	Confident	90.1	Very high	96 Å²	96	17.8 Å²	17.8	42%	0.417	8%	0.083	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	163	177.9	52.7	165.8	-169.6	-179	0	110	G220 D221 V265	K218-G220 PolarHBondContact O-N 2.92Å; K218-D221 WeakPolarHBondContact CE-OD1 3.33Å; K218-D221 WeakPolarHBondContact CG-OD2 3.19Å; K218-D221 PolarHBondContact N-OD2 3.34Å; K218-D221 IonicContact NZ-OD1 3.37Å; K218-D221 WeakPolarHBondContact O-CB 3.44Å; K218-D221 PolarHBondContact O-N 2.69Å; K218-V265 WeakPolarHBondContact O-CB 3.46Å
219	Y	79.3	Confident	90.2	Very high	87 Å²	87	14.6 Å²	14.6	34%	0.341	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43	127.4	168.3	169.7	-108.1	0	0	0	113.1	M266 G268 T836	Y219-M266 WeakPolarHBondContact CD2-O 3.48Å; Y219-M266 VanDerWaalsContact CE2-O 3.23Å; Y219-M266 WeakPolarHBondContact CE2-O 3.27Å; Y219-G268 PolarHBondContact N-O 2.91Å; Y219-T836 HydrophobicContact CD2-CG2 4.49Å; Y219-T836 HydrophobicContact CE1-CG2 4.5Å; Y219-T836 HydrophobicContact CE2-CG2 3.76Å; Y219-T836 WeakPolarHBondContact CE2-OG1 3.45Å; Y219-T836 PolarHBondContact OH-OG1 3.38Å
220	G	73.1	Confident	90.1	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.01	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	-3.4	177.4	0	0	0	0	0	116.2	K218 V265 D857	K218-G220 PolarHBondContact O-N 2.92Å; G220-V265 PolarHBondContact N-O 3.4Å; G220-D857 PolarHBondContact O-N 2.74Å
221	D	82.8	Confident	89.7	Confident	10 Å²	10	22.1 Å²	22.1	5%	0.053	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-75.7	143	175.5	-70.7	-14.2	0	0	0	111.9	F193 K218 V265	F193-D221 HydrophobicContact CE2-CB 3.88Å; F193-D221 HydrophobicContact CZ-CB 4.04Å; K218-D221 WeakPolarHBondContact CE-OD1 3.33Å; K218-D221 WeakPolarHBondContact CG-OD2 3.19Å; K218-D221 PolarHBondContact N-OD2 3.34Å; K218-D221 IonicContact NZ-OD1 3.37Å; K218-D221 WeakPolarHBondContact O-CB 3.44Å; K218-D221 PolarHBondContact O-N 2.69Å; D221-V265 HydrophobicContact CB-CG2 4.37Å; D221-V265 PolarHBondContact O-N 2.69Å
222	L	86.3	Confident	89.2	Confident	34 Å²	34	23.6 Å²	23.6	18%	0.178	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-89.8	126	161.9	167.2	64.8	0	0	0	108.6	F193 P224 D857	F193-L222 VanDerWaalsContact CE2-O 3.25Å; F193-L222 WeakPolarHBondContact CE2-O 3.48Å; L222-P224 WeakPolarHBondContact O-CD 3.38Å; L222-D857 HydrophobicContact CB-CB 3.93Å
223	L	91	Very high	88.8	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-70.8	123.1	179.7	-64.5	-166.7	0	0	0	111.2	F193 I217 I237 L259 L260 S261 G262 T263 V265 M272	F193-L223 HydrophobicContact CZ-CD2 4.48Å; I217-L223 HydrophobicContact CB-CD2 4.32Å; I217-L223 HydrophobicContact CG2-CD2 3.7Å; L223-I237 HydrophobicContact CD1-CD1 4.02Å; L223-L259 HydrophobicContact CD1-CB 3.83Å; L223-L259 HydrophobicContact CD1-CD2 4.5Å; L223-L260 WeakPolarHBondContact CB-O 3.45Å; L223-S261 WeakPolarHBondContact O-CA 3.36Å; L223-G262 PolarHBondContact O-N 2.88Å; L223-T263 PolarHBondContact N-O 3.22Å; L223-V265 HydrophobicContact CD2-CG2 3.94Å; L223-V265 HydrophobicContact CG-CG2 4.43Å; L223-M272 HydrophobicContact CD2-CE 4.43Å; L223-M272 HydrophobicContact CD2-SD 4.41Å
224	P	90.1	Very high	87.9	Confident	10 Å²	10	34.9 Å²	34.9	7%	0.065	18%	0.178	C	C	.	.			trans	-91.7	-7.1	-170.1	37	-39	0	0	0	114.4	N85 F193 V206 I209 L222	N85-P224 PolarHBondContact ND2-O 3.01Å; N85-P224 PolarHBondContact OD1-O 3.2Å; F193-P224 HydrophobicContact CB-CG 4.23Å; F193-P224 HydrophobicContact CD1-CG 4.07Å; F193-P224 HydrophobicContact CD2-CB 4.4Å; F193-P224 HydrophobicContact CD2-CG 3.77Å; F193-P224 HydrophobicContact CE1-CG 4.47Å; F193-P224 HydrophobicContact CE2-CG 4.17Å; F193-P224 HydrophobicContact CG-CG 3.72Å; V206-P224 HydrophobicContact CB-CB 4.43Å; V206-P224 HydrophobicContact CG1-CB 3.8Å; V206-P224 HydrophobicContact CG2-CB 3.94Å; I209-P224 HydrophobicContact CD1-CB 3.76Å; I209-P224 HydrophobicContact CD1-CG 3.45Å; I209-P224 VanDerWaalsContact CD1-CG 3.45Å; L222-P224 WeakPolarHBondContact O-CD 3.38Å
225	A	93.4	Very high	87.2	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-162.7	159.7	-174.7	0	0	0	0	0	108.8	I209 S261 V274 V277	I209-A225 HydrophobicContact CG2-CB 4.5Å; A225-S261 PolarHBondContact N-OG 3Å; A225-V274 HydrophobicContact CB-CG1 3.71Å; A225-V274 HydrophobicContact CB-CG2 4.49Å; A225-V277 HydrophobicContact CB-CG1 3.99Å
226	D	94.3	Very high	86.5	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	149.4	174.1	-59.6	-15.4	0	0	0	109.9	M35 L259 S261 T275 A276 S281 Q282	M35-D226 HydrophobicContact CG-CB 3.81Å; M35-D226 HydrophobicContact SD-CB 3.79Å; D226-L259 CarbonylContact C-O 3.59Å; D226-L259 WeakPolarHBondContact CA-O 3.26Å; D226-S261 VanDerWaalsContact OD1-CB 3.23Å; D226-S261 WeakPolarHBondContact OD1-CB 3.49Å; D226-S261 PolarHBondContact OD1-N 3.13Å; D226-T275 PolarHBondContact O-N 3.22Å; D226-T275 PolarHBondContact O-OG1 3.12Å; D226-A276 HydrophobicContact CB-CB 4.17Å; D226-A276 PolarHBondContact N-O 3.3Å; D226-A276 PolarHBondContact O-N 3.4Å; D226-S281 WeakPolarHBondContact OD2-CA 3.32Å; D226-S281 WeakPolarHBondContact OD2-CB 3.45Å; D226-Q282 PolarHBondContact OD2-N 2.98Å
227	G	94.3	Very high	86.1	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	172.7	-177.4	0	0	0	0	0	115.4	L259 V273 T275	G227-L259 PolarHBondContact N-O 2.98Å; G227-L259 WeakPolarHBondContact O-CB 3.47Å; G227-L259 PolarHBondContact O-N 2.84Å; G227-V273 CarbonylContact C-O 3.38Å; G227-V273 WeakPolarHBondContact CA-O 3.34Å; G227-T275 WeakPolarHBondContact CA-OG1 3.25Å; G227-T275 PolarHBondContact N-OG1 2.89Å
228	V	94.1	Very high	85.3	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.4	177.1	-174.9	0	0	0	0	109.6	L34 M35 L46 V53 L56 I230 P257 M258 M272 V273 T275	L34-V228 HydrophobicContact CD2-CG2 4.47Å; M35-V228 HydrophobicContact CE-CG2 3.79Å; L46-V228 HydrophobicContact CD1-CG1 3.77Å; L46-V228 HydrophobicContact CD2-CG1 4.27Å; L46-V228 HydrophobicContact CD2-CG2 4.46Å; V53-V228 HydrophobicContact CG1-CG1 4.09Å; V53-V228 HydrophobicContact CG2-CG1 3.84Å; L56-V228 HydrophobicContact CD2-CB 4.32Å; L56-V228 HydrophobicContact CD2-CG2 3.82Å; V228-I230 PolarHBondContact O-N 3.41Å; V228-P257 WeakPolarHBondContact CA-O 3.35Å; V228-P257 HydrophobicContact CG1-CB 4.13Å; V228-M258 HydrophobicContact CB-CE 4.34Å; V228-M258 HydrophobicContact CG1-CE 3.99Å; V228-M258 HydrophobicContact CG2-CE 3.71Å; V228-M272 CarbonylContact O-C 3.6Å; V228-M272 WeakPolarHBondContact O-CA 3.45Å; V228-M272 WeakPolarHBondContact O-CB 3.49Å; V228-V273 HydrophobicContact CB-CG1 3.94Å; V228-V273 PolarHBondContact N-O 3.39Å; V228-V273 PolarHBondContact O-N 2.98Å; V228-T275 HydrophobicContact CG2-CG2 3.8Å
229	L	93.4	Very high	85.1	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	122.1	176.1	-172.7	68.9	0	0	0	110.5	I217 Q231 L235 K251 P257 L259	I217-L229 HydrophobicContact CD1-CD1 4.21Å; L229-Q231 WeakPolarHBondContact CD1-O 3.3Å; L229-L235 HydrophobicContact CD1-CD2 3.61Å; L229-L235 HydrophobicContact CD2-CD2 4.11Å; L229-K251 HydrophobicContact CD2-CB 4.35Å; L229-P257 HydrophobicContact CB-CB 4.25Å; L229-P257 WeakPolarHBondContact CB-O 3.4Å; L229-P257 PolarHBondContact N-O 3.5Å; L229-L259 HydrophobicContact CB-CD1 3.87Å; L229-L259 HydrophobicContact CB-CG 4.32Å; L229-L259 HydrophobicContact CD1-CD1 4.02Å
230	I	90.4	Very high	84.5	Confident	43 Å²	43	29 Å²	29	22%	0.221	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-45.7	174.1	-58.9	165.8	0	0	0	109.7	V53 P64 I214 V228 R271 V273	V53-I230 HydrophobicContact CG1-CG1 3.8Å; P64-I230 HydrophobicContact CB-CD1 4.47Å; P64-I230 HydrophobicContact CB-CG2 4.27Å; I214-I230 HydrophobicContact CD1-CD1 3.76Å; I214-I230 HydrophobicContact CG2-CD1 4.23Å; V228-I230 PolarHBondContact O-N 3.41Å; I230-R271 PolarHBondContact N-O 3.36Å; I230-V273 HydrophobicContact CD1-CB 4.16Å; I230-V273 HydrophobicContact CG1-CG1 4.47Å
231	Q	86.1	Confident	84	Confident	118 Å²	118	32.7 Å²	32.7	55%	0.551	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-151.6	138.1	-177	-172.2	-178.6	20.6	0	0	108.9	L229 G270 R271	L229-Q231 WeakPolarHBondContact CD1-O 3.3Å; Q231-G270 CarbonylContact O-C 3.57Å; Q231-G270 WeakPolarHBondContact O-CA 3.33Å; Q231-R271 PolarHBondContact N-O 2.86Å; Q231-R271 PolarHBondContact O-N 3.04Å
232	G	84.4	Confident	83.3	Confident	33 Å²	33	34.4 Å²	34.4	34%	0.34	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	147.3	177.4	0	0	0	0	0	112.5	S269	G232-S269 CarbonylContact C-O 3.57Å; G232-S269 WeakPolarHBondContact CA-O 3.38Å
233	N	82.1	Confident	82.5	Confident	105 Å²	105	36 Å²	36	56%	0.561	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	108.3	174.6	-68.3	-35.9	0	0	0	108.3	L235 G268 S269	N233-L235 PolarHBondContact O-N 3.11Å; N233-L235 VanDerWaalsContact O-N 3.1Å; N233-G268 WeakPolarHBondContact O-CA 3.44Å; N233-S269 PolarHBondContact N-O 3.44Å; N233-S269 PolarHBondContact O-N 2.83Å
234	D	76.8	Confident	80.5	Confident	132 Å²	132	38.8 Å²	38.8	71%	0.706	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	45	39.6	-178.8	-72.9	-48.9	0	0	0	114.5	K236	D234-K236 PolarHBondContact O-N 2.84Å
235	L	79.5	Confident	78.9	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	125.5	-174.8	-171.5	68.9	0	0	0	111.4	I217 L229 N233 I237 K251 L259 V265 E267	I217-L235 HydrophobicContact CD1-CD1 4.13Å; I217-L235 HydrophobicContact CD1-CD2 3.63Å; I217-L235 HydrophobicContact CG1-CD1 4.48Å; L229-L235 HydrophobicContact CD1-CD2 3.61Å; L229-L235 HydrophobicContact CD2-CD2 4.11Å; N233-L235 PolarHBondContact O-N 3.11Å; N233-L235 VanDerWaalsContact O-N 3.1Å; L235-I237 HydrophobicContact CD2-CD1 4.45Å; L235-I237 HydrophobicContact CG-CG1 4.43Å; L235-K251 HydrophobicContact CB-CB 4.42Å; L235-K251 HydrophobicContact CD2-CB 3.95Å; L235-K251 HydrophobicContact CG-CB 4.24Å; L235-K251 PolarHBondContact O-N 3.4Å; L235-L259 HydrophobicContact CD2-CD2 4.07Å; L235-V265 HydrophobicContact CD1-CG1 3.57Å; L235-E267 WeakPolarHBondContact CA-O 3.45Å
236	K	79.5	Confident	76.8	Confident	43 Å²	43	49.3 Å²	49.3	19%	0.187	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	139.3	173.5	-59.4	177.4	-160.9	159.8	0	110.4	D234 H248 V249 K250 M266 E267	D234-K236 PolarHBondContact O-N 2.84Å; K236-H248 HydrophobicContact CB-CB 4.35Å; K236-V249 WeakPolarHBondContact CA-O 3.36Å; K236-K250 HydrophobicContact CG-CG 4.11Å; K236-M266 PolarHBondContact O-N 3.08Å; K236-E267 HydrophobicContact CB-CB 3.9Å; K236-E267 HydrophobicContact CD-CB 3.96Å; K236-E267 WeakPolarHBondContact CD-OE2 3.47Å; K236-E267 WeakPolarHBondContact CE-OE2 3.48Å; K236-E267 HydrophobicContact CG-CB 4.08Å; K236-E267 PolarHBondContact N-O 2.87Å; K236-E267 IonicContact NZ-OE1 3.06Å; K236-E267 PolarHBondContact NZ-OE1 2.93Å; K236-E267 IonicContact NZ-OE2 2.66Å; K236-E267 PolarHBondContact NZ-OE2 2.84Å; K236-E267 PolarHBondContact O-N 3.19Å
237	I	81.8	Confident	75.2	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142	-174.9	-62.4	-168.1	0	0	0	109.9	L223 L235 E239 V249 K251 L259 T263 H264 V265	L223-I237 HydrophobicContact CD1-CD1 4.02Å; L235-I237 HydrophobicContact CD2-CD1 4.45Å; L235-I237 HydrophobicContact CG-CG1 4.43Å; I237-E239 HydrophobicContact CG2-CG 3.92Å; I237-V249 PolarHBondContact N-O 2.83Å; I237-V249 PolarHBondContact O-N 3.12Å; I237-K251 HydrophobicContact CB-CG 4.41Å; I237-K251 HydrophobicContact CD1-CG 4.06Å; I237-K251 HydrophobicContact CG1-CG 4.11Å; I237-L259 HydrophobicContact CD1-CD2 3.33Å; I237-T263 WeakPolarHBondContact CG2-OG1 3.35Å; I237-H264 VanDerWaalsContact CA-O 3.29Å; I237-H264 WeakPolarHBondContact CA-O 3.49Å; I237-H264 WeakPolarHBondContact CG2-O 3.49Å; I237-V265 HydrophobicContact CD1-CG2 4.46Å
238	D	75.6	Confident	74.1	Confident	27 Å²	27	60.3 Å²	60.3	14%	0.144	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	113.6	166.8	175.6	6.6	0	0	0	108.6	S240 T263 H264 M266	D238-S240 WeakPolarHBondContact OD1-CB 3.3Å; D238-S240 PolarHBondContact OD1-N 2.62Å; D238-S240 PolarHBondContact OD1-OG 3.1Å; D238-S240 PolarHBondContact OD2-OG 3.49Å; D238-T263 VanDerWaalsContact O-CB 3.3Å; D238-T263 WeakPolarHBondContact O-CB 3.4Å; D238-H264 PolarHBondContact N-O 2.83Å; D238-H264 PolarHBondContact O-N 2.9Å; D238-M266 HydrophobicContact CB-CG 3.53Å; D238-M266 HydrophobicContact CB-SD 4.16Å
239	E	79.1	Confident	73.4	Confident	11 Å²	11	62.3 Å²	62.3	5%	0.051	36%	0.361	C	S	.	.			trans	-102.2	8.7	179.1	-56.3	-163.8	147.6	0	0	112.7	I237 S241 L242 T243 V249 K251 T263	I237-E239 HydrophobicContact CG2-CG 3.92Å; E239-S241 PolarHBondContact O-N 2.92Å; E239-S241 VanDerWaalsContact O-N 3.13Å; E239-L242 PolarHBondContact O-N 2.74Å; E239-T243 HydrophobicContact CB-CG2 4.18Å; E239-T243 PolarHBondContact O-N 2.76Å; E239-T243 PolarHBondContact O-OG1 3.47Å; E239-V249 HydrophobicContact CG-CG2 4.22Å; E239-K251 WeakPolarHBondContact OE1-CE 3.36Å; E239-K251 IonicContact OE1-NZ 3.62Å; E239-K251 PolarHBondContact OE1-NZ 3.02Å; E239-K251 IonicContact OE2-NZ 3.88Å; E239-T263 HydrophobicContact CB-CG2 4.26Å; E239-T263 HydrophobicContact CG-CG2 4.13Å
240	S	66.3	Low	72.9	Confident	38 Å²	38	69.9 Å²	69.9	27%	0.266	39%	0.394	S	S	.	.	H	α-helix	trans	-56.8	-32.1	-174.1	61.2	0	0	0	0	114.2	D238 L242 G244 E245	D238-S240 WeakPolarHBondContact OD1-CB 3.3Å; D238-S240 PolarHBondContact OD1-N 2.62Å; D238-S240 PolarHBondContact OD1-OG 3.1Å; D238-S240 PolarHBondContact OD2-OG 3.49Å; S240-L242 PolarHBondContact O-N 3.33Å; S240-L242 VanDerWaalsContact O-N 3.14Å; S240-G244 VanDerWaalsContact O-CA 3.29Å; S240-G244 WeakPolarHBondContact O-CA 3.47Å; S240-G244 PolarHBondContact O-N 2.58Å; S240-E245 VanDerWaalsContact CA-O 3.25Å; S240-E245 WeakPolarHBondContact CA-O 3.26Å; S240-E245 VanDerWaalsContact CB-O 3.26Å; S240-E245 WeakPolarHBondContact CB-O 3.4Å; S240-E245 PolarHBondContact N-O 2.79Å
241	S	62.3	Low	72.7	Confident	79 Å²	79	68.2 Å²	68.2	55%	0.552	39%	0.385	S	S	*	.	H	α-helix	trans	-58	-20.8	172.7	-59.5	0	0	0	0	114.3	E239	E239-S241 PolarHBondContact O-N 2.92Å; E239-S241 VanDerWaalsContact O-N 3.13Å
242	L	69.6	Low	72.6	Confident	46 Å²	46	64.7 Å²	64.7	24%	0.241	37%	0.374	C	S	.	.	H	α-helix	trans	-117.5	-40.9	-176.8	-73.8	176.8	0	0	0	113.5	E239 S240 L260 T263 T283 I286	E239-L242 PolarHBondContact O-N 2.74Å; S240-L242 PolarHBondContact O-N 3.33Å; S240-L242 VanDerWaalsContact O-N 3.14Å; L242-L260 HydrophobicContact CD1-CB 3.67Å; L242-L260 HydrophobicContact CD1-CD1 3.75Å; L242-L260 HydrophobicContact CD1-CG 4.33Å; L242-T263 HydrophobicContact CD1-CG2 3.79Å; L242-T263 HydrophobicContact CG-CG2 4.45Å; L242-T283 WeakPolarHBondContact CD2-OG1 3.3Å; L242-I286 HydrophobicContact CD2-CD1 3.55Å
243	T	67.6	Low	72.6	Confident	69 Å²	69	64.9 Å²	64.9	42%	0.423	37%	0.372	S	S	.	.	H	α-helix	trans	-96.1	-21.4	-176.9	62.5	0	0	0	0	113.2	E239 E245	E239-T243 HydrophobicContact CB-CG2 4.18Å; E239-T243 PolarHBondContact O-N 2.76Å; E239-T243 PolarHBondContact O-OG1 3.47Å; T243-E245 PolarHBondContact O-N 3.12Å; T243-E245 PolarHBondContact OG1-N 3.34Å; T243-E245 VanDerWaalsContact OG1-N 3.14Å
244	G	49.6	Very low	72.5	Confident	59 Å²	59	66.6 Å²	66.6	61%	0.608	38%	0.381	S	S	*	.	S	Bend	trans	76.2	-7.3	-167.4	0	0	0	0	0	114.4	S240	S240-G244 VanDerWaalsContact O-CA 3.29Å; S240-G244 WeakPolarHBondContact O-CA 3.47Å; S240-G244 PolarHBondContact O-N 2.58Å
245	E	57.6	Low	72.7	Confident	135 Å²	135	67.2 Å²	67.2	63%	0.631	38%	0.378	S	S	*	.			trans	-85.2	125.2	178.3	-61.5	-175.7	164.1	0	0	110.2	S240 T243 D247	S240-E245 VanDerWaalsContact CA-O 3.25Å; S240-E245 WeakPolarHBondContact CA-O 3.26Å; S240-E245 VanDerWaalsContact CB-O 3.26Å; S240-E245 WeakPolarHBondContact CB-O 3.4Å; S240-E245 PolarHBondContact N-O 2.79Å; T243-E245 PolarHBondContact O-N 3.12Å; T243-E245 PolarHBondContact OG1-N 3.34Å; T243-E245 VanDerWaalsContact OG1-N 3.14Å; E245-D247 VanDerWaalsContact C-N 3.33Å; E245-D247 PolarHBondContact O-N 3.47Å
246	S	49.5	Very low	73.1	Confident	95 Å²	95	68 Å²	68	66%	0.664	38%	0.382	S	S	*	.			trans	-87.3	3.9	-175.8	-47.6	0	0	0	0	114.7
247	D	59	Low	73.6	Confident	137 Å²	137	65.9 Å²	65.9	73%	0.733	37%	0.373	S	S	*	.	S	Bend	trans	-83.1	138.2	-178.4	-82.8	-26.8	0	0	0	111.7	E245 V249	E245-D247 VanDerWaalsContact C-N 3.33Å; E245-D247 PolarHBondContact O-N 3.47Å; D247-V249 PolarHBondContact O-N 3.26Å
248	H	72.6	Confident	74.1	Confident	94 Å²	94	65.9 Å²	65.9	44%	0.435	37%	0.373	S	S	.	.			trans	-70.8	111.1	179.8	-64.9	174.6	0	0	0	111.7	K236	K236-H248 HydrophobicContact CB-CB 4.35Å
249	V	79.8	Confident	74.9	Confident	43 Å²	43	64.6 Å²	64.6	26%	0.261	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	125.2	178.5	-173.6	0	0	0	0	109.9	K236 I237 E239 D247 K251	K236-V249 WeakPolarHBondContact CA-O 3.36Å; I237-V249 PolarHBondContact N-O 2.83Å; I237-V249 PolarHBondContact O-N 3.12Å; E239-V249 HydrophobicContact CG-CG2 4.22Å; D247-V249 PolarHBondContact O-N 3.26Å; V249-K251 HydrophobicContact CG1-CD 4.25Å
250	K	81.3	Confident	75.5	Confident	158 Å²	158	64.1 Å²	64.1	69%	0.687	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	125.2	172.9	-72.8	-175.2	177.6	-171.6	0	110.3	K236	K236-K250 HydrophobicContact CG-CG 4.11Å
251	K	86.1	Confident	76.7	Confident	8 Å²	8	63 Å²	63	4%	0.035	36%	0.356	C	S	.	.			trans	-107.6	133.3	179.2	-60.3	-65.2	-176.9	167	0	110.7	L229 L235 I237 E239 V249 D256 M258 L259	L229-K251 HydrophobicContact CD2-CB 4.35Å; L235-K251 HydrophobicContact CB-CB 4.42Å; L235-K251 HydrophobicContact CD2-CB 3.95Å; L235-K251 HydrophobicContact CG-CB 4.24Å; L235-K251 PolarHBondContact O-N 3.4Å; I237-K251 HydrophobicContact CB-CG 4.41Å; I237-K251 HydrophobicContact CD1-CG 4.06Å; I237-K251 HydrophobicContact CG1-CG 4.11Å; E239-K251 WeakPolarHBondContact OE1-CE 3.36Å; E239-K251 IonicContact OE1-NZ 3.62Å; E239-K251 PolarHBondContact OE1-NZ 3.02Å; E239-K251 IonicContact OE2-NZ 3.88Å; V249-K251 HydrophobicContact CG1-CD 4.25Å; K251-D256 WeakPolarHBondContact CA-O 3.36Å; K251-D256 HydrophobicContact CD-CB 4.26Å; K251-D256 WeakPolarHBondContact CD-O 3.49Å; K251-D256 WeakPolarHBondContact CD-OD2 3.41Å; K251-D256 WeakPolarHBondContact CE-OD2 3.38Å; K251-D256 IonicContact NZ-OD1 3.12Å; K251-D256 IonicContact NZ-OD2 2.76Å; K251-D256 PolarHBondContact NZ-OD2 3.23Å; K251-M258 WeakPolarHBondContact CD-O 3.5Å; K251-M258 WeakPolarHBondContact CE-O 3.23Å; K251-M258 PolarHBondContact NZ-O 3.2Å; K251-L259 HydrophobicContact CB-CD2 4.33Å; K251-L259 HydrophobicContact CD-CD2 4.5Å; K251-L259 HydrophobicContact CG-CD2 4.07Å
252	S	84.7	Confident	77.7	Confident	45 Å²	45	60.2 Å²	60.2	32%	0.315	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-154.2	145.2	177.8	63.6	0	0	0	0	110.2	D254 K255 D256	S252-D254 PolarHBondContact O-N 3.12Å; S252-D254 VanDerWaalsContact O-N 3.11Å; S252-K255 PolarHBondContact O-N 2.77Å; S252-K255 VanDerWaalsContact O-N 3.11Å; S252-K255 WeakPolarHBondContact OG-CB 3.48Å; S252-D256 PolarHBondContact N-O 2.8Å; S252-D256 CarbonylContact O-C 3Å; S252-D256 VanDerWaalsContact O-C 3.23Å; S252-D256 PolarHBondContact O-N 3.42Å
253	A	83.6	Confident	78.5	Confident	37 Å²	37	58 Å²	58	31%	0.306	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-39.7	-176.6	0	0	0	0	0	112.7
254	D	81.1	Confident	79.1	Confident	141 Å²	141	55.6 Å²	55.6	75%	0.754	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-5.2	-173.3	-38.3	-79	0	0	0	115.2	S252	S252-D254 PolarHBondContact O-N 3.12Å; S252-D254 VanDerWaalsContact O-N 3.11Å
255	K	81.1	Confident	80.7	Confident	144 Å²	144	52.8 Å²	52.8	63%	0.626	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.8	-45.2	-170.4	-163.4	-172.9	177.9	-165.8	0	114.8	G39 T40 S252	G39-K255 CarbonylContact C-O 3.58Å; G39-K255 WeakPolarHBondContact CA-O 3.31Å; T40-K255 PolarHBondContact N-O 2.72Å; S252-K255 PolarHBondContact O-N 2.77Å; S252-K255 VanDerWaalsContact O-N 3.11Å; S252-K255 WeakPolarHBondContact OG-CB 3.48Å
256	D	87.5	Confident	81.4	Confident	18 Å²	18	48.1 Å²	48.1	10%	0.096	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-151	87.5	173.8	-171.9	20.2	0	0	0	108.7	G39 K251 S252 M258	G39-D256 PolarHBondContact N-OD1 2.86Å; K251-D256 WeakPolarHBondContact CA-O 3.36Å; K251-D256 HydrophobicContact CD-CB 4.26Å; K251-D256 WeakPolarHBondContact CD-O 3.49Å; K251-D256 WeakPolarHBondContact CD-OD2 3.41Å; K251-D256 WeakPolarHBondContact CE-OD2 3.38Å; K251-D256 IonicContact NZ-OD1 3.12Å; K251-D256 IonicContact NZ-OD2 2.76Å; K251-D256 PolarHBondContact NZ-OD2 3.23Å; S252-D256 PolarHBondContact N-O 2.8Å; S252-D256 CarbonylContact O-C 3Å; S252-D256 VanDerWaalsContact O-C 3.23Å; S252-D256 PolarHBondContact O-N 3.42Å; D256-M258 VanDerWaalsContact C-N 3.32Å
257	P	91	Very high	82.6	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.249	C	C	.	.			trans	-86.5	0.2	-177.9	32.6	-33.5	0	0	0	113.2	V43 L46 V228 L229	V43-P257 HydrophobicContact CG2-CG 3.95Å; L46-P257 HydrophobicContact CD1-CB 4.45Å; L46-P257 HydrophobicContact CD1-CG 3.7Å; V228-P257 WeakPolarHBondContact CA-O 3.35Å; V228-P257 HydrophobicContact CG1-CB 4.13Å; L229-P257 HydrophobicContact CB-CB 4.25Å; L229-P257 WeakPolarHBondContact CB-O 3.4Å; L229-P257 PolarHBondContact N-O 3.5Å
258	M	91.8	Very high	83.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	132.4	-175.4	-63.1	-64.3	107.4	0	0	111.8	M35 A42 L46 V228 K251 D256	M35-M258 HydrophobicContact CE-CE 4.19Å; M35-M258 HydrophobicContact CE-SD 3.45Å; M35-M258 WeakPolarHBondContact CE-SD 3.47Å; M35-M258 HydrophobicContact SD-SD 4.21Å; A42-M258 HydrophobicContact CB-CE 4.01Å; A42-M258 HydrophobicContact CB-CG 3.62Å; A42-M258 HydrophobicContact CB-SD 4.06Å; L46-M258 HydrophobicContact CD1-CE 3.71Å; L46-M258 HydrophobicContact CG-CE 4.46Å; V228-M258 HydrophobicContact CB-CE 4.34Å; V228-M258 HydrophobicContact CG1-CE 3.99Å; V228-M258 HydrophobicContact CG2-CE 3.71Å; K251-M258 WeakPolarHBondContact CD-O 3.5Å; K251-M258 WeakPolarHBondContact CE-O 3.23Å; K251-M258 PolarHBondContact NZ-O 3.2Å; D256-M258 VanDerWaalsContact C-N 3.32Å
259	L	92.8	Very high	84	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.1	-177.5	-58.5	171.3	0	0	0	108.8	I217 L223 D226 G227 L229 L235 I237 K251 M272	I217-L259 HydrophobicContact CD1-CD1 3.84Å; L223-L259 HydrophobicContact CD1-CB 3.83Å; L223-L259 HydrophobicContact CD1-CD2 4.5Å; D226-L259 CarbonylContact C-O 3.59Å; D226-L259 WeakPolarHBondContact CA-O 3.26Å; G227-L259 PolarHBondContact N-O 2.98Å; G227-L259 WeakPolarHBondContact O-CB 3.47Å; G227-L259 PolarHBondContact O-N 2.84Å; L229-L259 HydrophobicContact CB-CD1 3.87Å; L229-L259 HydrophobicContact CB-CG 4.32Å; L229-L259 HydrophobicContact CD1-CD1 4.02Å; L235-L259 HydrophobicContact CD2-CD2 4.07Å; I237-L259 HydrophobicContact CD1-CD2 3.33Å; K251-L259 HydrophobicContact CB-CD2 4.33Å; K251-L259 HydrophobicContact CD-CD2 4.5Å; K251-L259 HydrophobicContact CG-CD2 4.07Å; L259-M272 HydrophobicContact CB-SD 3.98Å; L259-M272 HydrophobicContact CD1-CB 3.4Å; L259-M272 HydrophobicContact CD1-CG 4.09Å; L259-M272 HydrophobicContact CD1-SD 3.58Å; L259-M272 VanDerWaalsContact CD1-SD 3.58Å; L259-M272 HydrophobicContact CG-SD 4.45Å
260	L	91.7	Very high	84.4	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.214	C	C	.	.			trans	-117.4	134.6	-165.3	-54.9	173.8	0	0	0	111.7	R38 L223 L242 T263 Q282	R38-L260 VanDerWaalsContact NH2-CD1 3.32Å; L223-L260 WeakPolarHBondContact CB-O 3.45Å; L242-L260 HydrophobicContact CD1-CB 3.67Å; L242-L260 HydrophobicContact CD1-CD1 3.75Å; L242-L260 HydrophobicContact CD1-CG 4.33Å; L260-T263 HydrophobicContact CB-CG2 3.83Å; L260-T263 WeakPolarHBondContact O-CB 3.36Å; L260-T263 PolarHBondContact O-N 2.93Å; L260-T263 PolarHBondContact O-OG1 2.99Å; L260-Q282 HydrophobicContact CD2-CG 4.22Å
261	S	90.4	Very high	84.9	Confident	14 Å²	14	34.5 Å²	34.5	10%	0.098	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	136.8	172.6	-168.8	0	0	0	0	110.3	L223 A225 D226 T283	L223-S261 WeakPolarHBondContact O-CA 3.36Å; A225-S261 PolarHBondContact N-OG 3Å; D226-S261 VanDerWaalsContact OD1-CB 3.23Å; D226-S261 WeakPolarHBondContact OD1-CB 3.49Å; D226-S261 PolarHBondContact OD1-N 3.13Å; S261-T283 PolarHBondContact O-OG1 3.43Å
262	G	83.1	Confident	85.3	Confident	20 Å²	20	34.1 Å²	34.1	21%	0.206	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	3.3	-177.7	0	0	0	0	0	115.1	L223	L223-G262 PolarHBondContact O-N 2.88Å
263	T	86.6	Confident	85.8	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.178	C	C	.	.			trans	-103.9	158.8	174.2	67.5	0	0	0	0	111.7	L223 I237 D238 E239 L242 L260	L223-T263 PolarHBondContact N-O 3.22Å; I237-T263 WeakPolarHBondContact CG2-OG1 3.35Å; D238-T263 VanDerWaalsContact O-CB 3.3Å; D238-T263 WeakPolarHBondContact O-CB 3.4Å; E239-T263 HydrophobicContact CB-CG2 4.26Å; E239-T263 HydrophobicContact CG-CG2 4.13Å; L242-T263 HydrophobicContact CD1-CG2 3.79Å; L242-T263 HydrophobicContact CG-CG2 4.45Å; L260-T263 HydrophobicContact CB-CG2 3.83Å; L260-T263 WeakPolarHBondContact O-CB 3.36Å; L260-T263 PolarHBondContact O-N 2.93Å; L260-T263 PolarHBondContact O-OG1 2.99Å
264	H	80.6	Confident	86.4	Confident	18 Å²	18	30.2 Å²	30.2	8%	0.083	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	136.6	-171.6	-62.7	-65.9	0	0	0	112.9	I237 D238 M266 V858 E861	I237-H264 VanDerWaalsContact CA-O 3.29Å; I237-H264 WeakPolarHBondContact CA-O 3.49Å; I237-H264 WeakPolarHBondContact CG2-O 3.49Å; D238-H264 PolarHBondContact N-O 2.83Å; D238-H264 PolarHBondContact O-N 2.9Å; H264-M266 HydrophobicContact CB-SD 4.3Å; H264-M266 PolarHBondContact O-N 2.71Å; H264-V858 HydrophobicContact CB-CG2 3.84Å; H264-E861 IonicContact CE1-OE2 2.78Å; H264-E861 PolarHBondContact CE1-OE2 2.9Å; H264-E861 IonicContact NE2-OE2 2.63Å
265	V	82.8	Confident	86.9	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	107.4	176.1	-173.5	0	0	0	0	110.5	K218 G220 D221 L223 L235 I237	K218-V265 WeakPolarHBondContact O-CB 3.46Å; G220-V265 PolarHBondContact N-O 3.4Å; D221-V265 HydrophobicContact CB-CG2 4.37Å; D221-V265 PolarHBondContact O-N 2.69Å; L223-V265 HydrophobicContact CD2-CG2 3.94Å; L223-V265 HydrophobicContact CG-CG2 4.43Å; L235-V265 HydrophobicContact CD1-CG1 3.57Å; I237-V265 HydrophobicContact CD1-CG2 4.46Å
266	M	73	Confident	87.5	Confident	37 Å²	37	17 Å²	17	18%	0.182	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-20.4	-174.7	-62.2	-56.3	-88.3	0	0	114.2	Y219 K236 D238 H264	Y219-M266 WeakPolarHBondContact CD2-O 3.48Å; Y219-M266 VanDerWaalsContact CE2-O 3.23Å; Y219-M266 WeakPolarHBondContact CE2-O 3.27Å; K236-M266 PolarHBondContact O-N 3.08Å; D238-M266 HydrophobicContact CB-CG 3.53Å; D238-M266 HydrophobicContact CB-SD 4.16Å; H264-M266 HydrophobicContact CB-SD 4.3Å; H264-M266 PolarHBondContact O-N 2.71Å
267	E	74.1	Confident	87.8	Confident	85 Å²	85	16.1 Å²	16.1	40%	0.397	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	156.2	172.1	-156.1	173.4	137	0	0	110.8	L235 K236	L235-E267 WeakPolarHBondContact CA-O 3.45Å; K236-E267 HydrophobicContact CB-CB 3.9Å; K236-E267 HydrophobicContact CD-CB 3.96Å; K236-E267 WeakPolarHBondContact CD-OE2 3.47Å; K236-E267 WeakPolarHBondContact CE-OE2 3.48Å; K236-E267 HydrophobicContact CG-CB 4.08Å; K236-E267 PolarHBondContact N-O 2.87Å; K236-E267 IonicContact NZ-OE1 3.06Å; K236-E267 PolarHBondContact NZ-OE1 2.93Å; K236-E267 IonicContact NZ-OE2 2.66Å; K236-E267 PolarHBondContact NZ-OE2 2.84Å; K236-E267 PolarHBondContact O-N 3.19Å
268	G	77.5	Confident	87.7	Confident	24 Å²	24	16.2 Å²	16.2	25%	0.247	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82	-161.2	171.8	0	0	0	0	0	115.3	Y219 N233	Y219-G268 PolarHBondContact N-O 2.91Å; N233-G268 WeakPolarHBondContact O-CA 3.44Å
269	S	84.2	Confident	87.4	Confident	47 Å²	47	18.9 Å²	18.9	33%	0.329	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	163.7	178	55.5	0	0	0	0	111	I217 G232 N233	I217-S269 CarbonylContact O-C 3.55Å; I217-S269 WeakPolarHBondContact O-CA 3.17Å; I217-S269 WeakPolarHBondContact O-CB 3.25Å; G232-S269 CarbonylContact C-O 3.57Å; G232-S269 WeakPolarHBondContact CA-O 3.38Å; N233-S269 PolarHBondContact N-O 3.44Å; N233-S269 PolarHBondContact O-N 2.83Å
270	G	88.4	Confident	87.3	Confident	12 Å²	12	20.7 Å²	20.7	12%	0.124	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	-167.9	179.1	0	0	0	0	0	114.7	I217 Q231	I217-G270 PolarHBondContact N-O 3.36Å; I217-G270 PolarHBondContact O-N 3.37Å; Q231-G270 CarbonylContact O-C 3.57Å; Q231-G270 WeakPolarHBondContact O-CA 3.33Å
271	R	91.8	Very high	87.2	Confident	73 Å²	73	20.7 Å²	20.7	28%	0.275	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.4	171.9	-65	-177.9	179.1	-153.4	-0.9	109.2	T65 I214 A215 I230 Q231	T65-R271 PolarHBondContact O-NH1 2.91Å; I214-R271 HydrophobicContact CG2-CB 4.42Å; A215-R271 WeakPolarHBondContact O-CA 3.47Å; I230-R271 PolarHBondContact N-O 3.36Å; Q231-R271 PolarHBondContact N-O 2.86Å; Q231-R271 PolarHBondContact O-N 3.04Å
272	M	94.2	Very high	86.9	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	148	176.2	73.8	-177.7	-164.2	0	0	112	I214 A215 I217 L223 V228 L259 V274	I214-M272 CarbonylContact C-O 3.51Å; I214-M272 WeakPolarHBondContact CA-O 3.1Å; A215-M272 HydrophobicContact CB-CE 3.73Å; A215-M272 HydrophobicContact CB-CG 3.68Å; A215-M272 HydrophobicContact CB-SD 4.46Å; A215-M272 PolarHBondContact N-O 3.19Å; A215-M272 PolarHBondContact O-N 3.3Å; I217-M272 HydrophobicContact CG2-CE 4.45Å; I217-M272 HydrophobicContact CG2-CG 4.2Å; I217-M272 HydrophobicContact CG2-SD 3.99Å; L223-M272 HydrophobicContact CD2-CE 4.43Å; L223-M272 HydrophobicContact CD2-SD 4.41Å; V228-M272 CarbonylContact O-C 3.6Å; V228-M272 WeakPolarHBondContact O-CA 3.45Å; V228-M272 WeakPolarHBondContact O-CB 3.49Å; L259-M272 HydrophobicContact CB-SD 3.98Å; L259-M272 HydrophobicContact CD1-CB 3.4Å; L259-M272 HydrophobicContact CD1-CG 4.09Å; L259-M272 HydrophobicContact CD1-SD 3.58Å; L259-M272 VanDerWaalsContact CD1-SD 3.58Å; L259-M272 HydrophobicContact CG-SD 4.45Å; M272-V274 HydrophobicContact CE-CG2 4.5Å
273	V	95.1	Very high	86.9	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.7	165.3	56.8	0	0	0	0	109.2	V53 L56 L60 T62 I214 G227 V228 I230	V53-V273 HydrophobicContact CG1-CG1 4.25Å; L56-V273 HydrophobicContact CD2-CG1 4.19Å; L60-V273 HydrophobicContact CD1-CG2 4Å; T62-V273 HydrophobicContact CG2-CG2 4.09Å; I214-V273 HydrophobicContact CD1-CB 3.8Å; I214-V273 HydrophobicContact CD1-CG2 4.01Å; G227-V273 CarbonylContact C-O 3.38Å; G227-V273 WeakPolarHBondContact CA-O 3.34Å; V228-V273 HydrophobicContact CB-CG1 3.94Å; V228-V273 PolarHBondContact N-O 3.39Å; V228-V273 PolarHBondContact O-N 2.98Å; I230-V273 HydrophobicContact CD1-CB 4.16Å; I230-V273 HydrophobicContact CG1-CG1 4.47Å
274	V	95.6	Very high	86.7	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	126.5	178.1	178	0	0	0	0	110	I209 G212 D213 A215 A225 M272 V277	I209-V274 HydrophobicContact CG2-CG1 4.26Å; I209-V274 HydrophobicContact CG2-CG2 3.94Å; G212-V274 PolarHBondContact N-O 3.29Å; D213-V274 HydrophobicContact CB-CB 4.48Å; D213-V274 HydrophobicContact CB-CG2 4.12Å; D213-V274 PolarHBondContact O-N 2.93Å; A215-V274 HydrophobicContact CB-CG2 4.28Å; A225-V274 HydrophobicContact CB-CG1 3.71Å; A225-V274 HydrophobicContact CB-CG2 4.49Å; M272-V274 HydrophobicContact CE-CG2 4.5Å; V274-V277 HydrophobicContact CG1-CG1 3.62Å
275	T	92.6	Very high	86.8	Confident	2 Å²	2	22 Å²	22	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-37.2	-176.9	46	0	0	0	0	113.3	L31 M35 L56 V211 D226 G227 V228	L31-T275 HydrophobicContact CD2-CG2 4.32Å; M35-T275 HydrophobicContact CE-CG2 4.09Å; M35-T275 PolarHBondContact SD-OG1 2.92Å; L56-T275 HydrophobicContact CD2-CG2 4.09Å; V211-T275 WeakPolarHBondContact CG2-O 3.39Å; D226-T275 PolarHBondContact O-N 3.22Å; D226-T275 PolarHBondContact O-OG1 3.12Å; G227-T275 WeakPolarHBondContact CA-OG1 3.25Å; G227-T275 PolarHBondContact N-OG1 2.89Å; V228-T275 HydrophobicContact CG2-CG2 3.8Å
276	A	92.8	Very high	86.6	Confident	5 Å²	5	25.6 Å²	25.6	4%	0.041	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	141.2	178.9	0	0	0	0	0	112.2	M35 D226	M35-A276 HydrophobicContact CG-CB 4.39Å; D226-A276 HydrophobicContact CB-CB 4.17Å; D226-A276 PolarHBondContact N-O 3.3Å; D226-A276 PolarHBondContact O-N 3.4Å
277	V	93.4	Very high	86.4	Confident	1 Å²	1	30 Å²	30	1%	0.006	16%	0.161	C	C	.	.			trans	-132.4	152.4	-172.5	-65.8	0	0	0	0	111.7	N85 V211 A225 V274 V279 N280	N85-V277 HydrophobicContact CB-CB 3.82Å; N85-V277 HydrophobicContact CB-CG1 4.18Å; N85-V277 WeakPolarHBondContact OD1-CB 3.4Å; V211-V277 HydrophobicContact CG2-CG1 4.13Å; V211-V277 HydrophobicContact CG2-CG2 4.07Å; A225-V277 HydrophobicContact CB-CG1 3.99Å; V274-V277 HydrophobicContact CG1-CG1 3.62Å; V277-V279 PolarHBondContact O-N 2.97Å; V277-N280 WeakPolarHBondContact O-CB 3.41Å; V277-N280 PolarHBondContact O-N 3.35Å; V277-N280 VanDerWaalsContact O-N 3.1Å
278	G	88.8	Confident	86.4	Confident	2 Å²	2	28.9 Å²	28.9	2%	0.021	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	55.1	-132	174.9	0	0	0	0	0	112.4	N85 N280 S281 G284	N85-G278 PolarHBondContact OD1-N 2.76Å; G278-N280 PolarHBondContact O-N 3Å; G278-N280 VanDerWaalsContact O-N 3.11Å; G278-S281 WeakPolarHBondContact O-CB 3.23Å; G278-S281 PolarHBondContact O-N 2.94Å; G278-S281 VanDerWaalsContact O-N 3.09Å; G278-S281 PolarHBondContact O-OG 3.31Å; G278-G284 WeakPolarHBondContact O-CA 3.4Å
279	V	87.1	Confident	86.1	Confident	56 Å²	56	33.3 Å²	33.3	34%	0.339	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-62.1	-14.5	179.5	-60.5	0	0	0	0	114.9	P88 V277	P88-V279 HydrophobicContact CG-CG1 4.49Å; V277-V279 PolarHBondContact O-N 2.97Å
280	N	89.4	Confident	85.2	Confident	37 Å²	37	36.5 Å²	36.5	20%	0.198	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-89.8	-12	177.4	-66.5	-33.6	0	0	0	113.1	V28 F82 V277 G278	V28-N280 HydrophobicContact CG1-CB 4.48Å; F82-N280 PolarHBondContact O-ND2 3.24Å; V277-N280 WeakPolarHBondContact O-CB 3.41Å; V277-N280 PolarHBondContact O-N 3.35Å; V277-N280 VanDerWaalsContact O-N 3.1Å; G278-N280 PolarHBondContact O-N 3Å; G278-N280 VanDerWaalsContact O-N 3.11Å
281	S	89.9	Confident	83.6	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.007	20%	0.198	C	C	.	.	S	Bend	trans	-73.2	157.5	172.1	67.6	0	0	0	0	111.6	D226 G278 T283 G284 I285	D226-S281 WeakPolarHBondContact OD2-CA 3.32Å; D226-S281 WeakPolarHBondContact OD2-CB 3.45Å; G278-S281 WeakPolarHBondContact O-CB 3.23Å; G278-S281 PolarHBondContact O-N 2.94Å; G278-S281 VanDerWaalsContact O-N 3.09Å; G278-S281 PolarHBondContact O-OG 3.31Å; S281-T283 VanDerWaalsContact C-N 3.31Å; S281-T283 PolarHBondContact O-N 2.98Å; S281-G284 CarbonylContact O-C 3.59Å; S281-G284 WeakPolarHBondContact O-CA 3.2Å; S281-G284 PolarHBondContact O-N 2.68Å; S281-G284 PolarHBondContact OG-N 3.38Å; S281-I285 WeakPolarHBondContact O-CD1 3.31Å; S281-I285 VanDerWaalsContact O-CG1 3.28Å; S281-I285 WeakPolarHBondContact O-CG1 3.43Å; S281-I285 PolarHBondContact O-N 3.18Å
282	Q	84.6	Confident	81.6	Confident	27 Å²	27	35.8 Å²	35.8	13%	0.126	20%	0.201	C	C	.	.	H	α-helix	trans	-54.2	-47	177	-66.7	-59.6	-41.8	0	0	111.8	M35 E36 D226 L260 G284 I285 I286	M35-Q282 HydrophobicContact CB-CG 4.28Å; M35-Q282 PolarHBondContact O-NE2 3Å; E36-Q282 VanDerWaalsContact CG-NE2 3.33Å; D226-Q282 PolarHBondContact OD2-N 2.98Å; L260-Q282 HydrophobicContact CD2-CG 4.22Å; Q282-G284 PolarHBondContact O-N 3.41Å; Q282-I285 PolarHBondContact O-N 3.02Å; Q282-I286 WeakPolarHBondContact O-CG1 3.49Å; Q282-I286 PolarHBondContact O-N 3Å
283	T	82.9	Confident	78.8	Confident	32 Å²	32	37.4 Å²	37.4	20%	0.196	22%	0.218	C	C	.	.	H	α-helix	trans	-61.9	-42.1	174	-69.2	0	0	0	0	112.2	L242 S261 S281 I285 I286 F287	L242-T283 WeakPolarHBondContact CD2-OG1 3.3Å; S261-T283 PolarHBondContact O-OG1 3.43Å; S281-T283 VanDerWaalsContact C-N 3.31Å; S281-T283 PolarHBondContact O-N 2.98Å; T283-I285 PolarHBondContact O-N 3.25Å; T283-I286 PolarHBondContact O-N 2.94Å; T283-F287 WeakPolarHBondContact O-CB 3.11Å; T283-F287 PolarHBondContact O-N 3.18Å
284	G	82.1	Confident	76.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.8	-36.9	176.6	0	0	0	0	0	113.9	G278 S281 Q282 T288	G278-G284 WeakPolarHBondContact O-CA 3.4Å; S281-G284 CarbonylContact O-C 3.59Å; S281-G284 WeakPolarHBondContact O-CA 3.2Å; S281-G284 PolarHBondContact O-N 2.68Å; S281-G284 PolarHBondContact OG-N 3.38Å; Q282-G284 PolarHBondContact O-N 3.41Å; G284-T288 WeakPolarHBondContact O-CB 3.44Å; G284-T288 PolarHBondContact O-N 2.65Å; G284-T288 PolarHBondContact O-OG1 3.25Å
285	I	82.6	Confident	73.9	Confident	20 Å²	20	44.9 Å²	44.9	10%	0.103	26%	0.257	C	S	.	.	H	α-helix	trans	-64.8	-50.6	175	-66.6	157.2	0	0	0	109.8	R32 S281 Q282 T283 F287 T288 L289	R32-I285 HydrophobicContact CG-CD1 4.14Å; R32-I285 VanDerWaalsContact CZ-CD1 3.42Å; S281-I285 WeakPolarHBondContact O-CD1 3.31Å; S281-I285 VanDerWaalsContact O-CG1 3.28Å; S281-I285 WeakPolarHBondContact O-CG1 3.43Å; S281-I285 PolarHBondContact O-N 3.18Å; Q282-I285 PolarHBondContact O-N 3.02Å; T283-I285 PolarHBondContact O-N 3.25Å; I285-F287 VanDerWaalsContact C-N 3.34Å; I285-F287 PolarHBondContact O-N 3.32Å; I285-T288 PolarHBondContact O-N 3.46Å; I285-L289 HydrophobicContact CG2-CD1 3.99Å; I285-L289 WeakPolarHBondContact O-CG 3.23Å; I285-L289 PolarHBondContact O-N 3.27Å
286	I	78.1	Confident	71.2	Confident	76 Å²	76	50 Å²	50	39%	0.39	28%	0.281	S	S	.	.	H	α-helix	trans	-58	-46.8	177.4	-67.3	163.3	0	0	0	110.6	L242 Q282 T283 T288 L289 L290	L242-I286 HydrophobicContact CD2-CD1 3.55Å; Q282-I286 WeakPolarHBondContact O-CG1 3.49Å; Q282-I286 PolarHBondContact O-N 3Å; T283-I286 PolarHBondContact O-N 2.94Å; I286-T288 VanDerWaalsContact C-N 3.32Å; I286-T288 PolarHBondContact O-N 3.47Å; I286-L289 PolarHBondContact O-N 2.83Å; I286-L290 HydrophobicContact CG2-CD1 3.87Å; I286-L290 HydrophobicContact CG2-CG 4.4Å; I286-L290 WeakPolarHBondContact O-CB 3.31Å; I286-L290 WeakPolarHBondContact O-CG 3.38Å; I286-L290 PolarHBondContact O-N 3.19Å
287	F	69.2	Low	68.7	Low	130 Å²	130	56.2 Å²	56.2	57%	0.57	31%	0.309	S	S	*	.	H	α-helix	trans	-65.3	-35	-179.8	-141.4	-85.3	0	0	0	112.7	I87 T283 I285 G291	I87-F287 HydrophobicContact CG2-CD1 4.35Å; T283-F287 WeakPolarHBondContact O-CB 3.11Å; T283-F287 PolarHBondContact O-N 3.18Å; I285-F287 VanDerWaalsContact C-N 3.34Å; I285-F287 PolarHBondContact O-N 3.32Å; F287-G291 PolarHBondContact O-N 3.27Å
288	T	73.5	Confident	66.2	Low	62 Å²	62	61 Å²	61	38%	0.38	33%	0.331	S	S	.	.	H	α-helix	trans	-69	-41.1	175.4	-57.2	0	0	0	0	111.4	G284 I285 I286 G291 A292	G284-T288 WeakPolarHBondContact O-CB 3.44Å; G284-T288 PolarHBondContact O-N 2.65Å; G284-T288 PolarHBondContact O-OG1 3.25Å; I285-T288 PolarHBondContact O-N 3.46Å; I286-T288 VanDerWaalsContact C-N 3.32Å; I286-T288 PolarHBondContact O-N 3.47Å; T288-G291 PolarHBondContact O-N 3.25Å; T288-A292 WeakPolarHBondContact O-CB 3.29Å; T288-A292 PolarHBondContact O-N 2.72Å
289	L	72.6	Confident	63.8	Low	117 Å²	117	66.5 Å²	66.5	61%	0.613	36%	0.355	S	S	*	.	H	α-helix	trans	-65.6	-44	175.8	-70.5	169.7	0	0	0	112	I285 I286 G291 A292 G293	I285-L289 HydrophobicContact CG2-CD1 3.99Å; I285-L289 WeakPolarHBondContact O-CG 3.23Å; I285-L289 PolarHBondContact O-N 3.27Å; I286-L289 PolarHBondContact O-N 2.83Å; L289-G291 VanDerWaalsContact C-N 3.34Å; L289-G291 PolarHBondContact O-N 3.03Å; L289-A292 PolarHBondContact O-N 2.68Å; L289-G293 PolarHBondContact O-N 2.94Å
290	L	64.3	Low	61.4	Low	114 Å²	114	69.9 Å²	69.9	60%	0.597	37%	0.365	S	S	*	.	H	α-helix	trans	-62.6	-40.3	174.1	-71	171.1	0	0	0	111.9	I286 G293 V294	I286-L290 HydrophobicContact CG2-CD1 3.87Å; I286-L290 HydrophobicContact CG2-CG 4.4Å; I286-L290 WeakPolarHBondContact O-CB 3.31Å; I286-L290 WeakPolarHBondContact O-CG 3.38Å; I286-L290 PolarHBondContact O-N 3.19Å; L290-G293 PolarHBondContact O-N 3.35Å; L290-V294 PolarHBondContact O-N 3.12Å
291	G	55.6	Low	59.1	Low	28 Å²	28	75.1 Å²	75.1	29%	0.289	39%	0.388	S	S	.	.	H	α-helix	trans	-62.6	-42.7	174.7	0	0	0	0	0	113	F287 T288 L289	F287-G291 PolarHBondContact O-N 3.27Å; T288-G291 PolarHBondContact O-N 3.25Å; L289-G291 VanDerWaalsContact C-N 3.34Å; L289-G291 PolarHBondContact O-N 3.03Å
292	A	48.3	Very low	56.7	Low	41 Å²	41	82.4 Å²	82.4	34%	0.339	42%	0.42	S	S	.	.	H	α-helix	trans	-69.7	-37	177.7	0	0	0	0	0	112.8	T288 L289 V294 E295 E296	T288-A292 WeakPolarHBondContact O-CB 3.29Å; T288-A292 PolarHBondContact O-N 2.72Å; L289-A292 PolarHBondContact O-N 2.68Å; A292-V294 VanDerWaalsContact C-N 3.35Å; A292-V294 PolarHBondContact O-N 3.38Å; A292-E295 PolarHBondContact O-N 3.17Å; A292-E296 PolarHBondContact O-N 2.78Å
293	G	37.3	Very low	54.3	Low	34 Å²	34	88.3 Å²	88.3	35%	0.351	45%	0.445	S	S	.	.	H	α-helix	trans	-59.2	-42.1	178.3	0	0	0	0	0	113.2	L289 L290 E296 E297	L289-G293 PolarHBondContact O-N 2.94Å; L290-G293 PolarHBondContact O-N 3.35Å; G293-E296 PolarHBondContact O-N 2.86Å; G293-E297 PolarHBondContact O-N 3.26Å
294	V	45.5	Very low	51.9	Low	63 Å²	63	89.4 Å²	89.4	38%	0.382	46%	0.463	S	S	.	.	H	α-helix	trans	-65.6	-39.6	175.9	179.1	0	0	0	0	111.5	L290 A292 E296 E297 E298	L290-V294 PolarHBondContact O-N 3.12Å; A292-V294 VanDerWaalsContact C-N 3.35Å; A292-V294 PolarHBondContact O-N 3.38Å; V294-E296 VanDerWaalsContact C-N 3.32Å; V294-E296 PolarHBondContact O-N 2.76Å; V294-E297 PolarHBondContact O-N 3.21Å; V294-E298 WeakPolarHBondContact O-CG 3.42Å; V294-E298 PolarHBondContact O-N 3.07Å
295	E	41	Very low	49.8	Very low	95 Å²	95	97.6 Å²	97.6	44%	0.444	50%	0.501	S	S	.	.	H	α-helix	trans	-69.3	-28.9	174.6	-72.5	-165.6	-163.6	0	0	113.2	A292 K299	A292-E295 PolarHBondContact O-N 3.17Å; E295-K299 VanDerWaalsContact O-CB 3.27Å; E295-K299 WeakPolarHBondContact O-CB 3.49Å; E295-K299 VanDerWaalsContact O-CD 3.31Å; E295-K299 WeakPolarHBondContact O-CD 3.41Å; E295-K299 WeakPolarHBondContact O-CG 3.27Å; E295-K299 PolarHBondContact O-N 3.03Å; E295-K299 VanDerWaalsContact O-N 3.1Å; E295-K299 IonicContact OE2-NZ 2.69Å; E295-K299 PolarHBondContact OE2-NZ 3.05Å
296	E	36.2	Very low	47.6	Very low	109 Å²	109	100.3 Å²	100.3	51%	0.509	53%	0.526	S	S	.	.	H	α-helix	trans	-74.4	-35.7	172.8	-82.8	-155.1	-177.4	0	0	112.9	A292 G293 V294 K299 K300	A292-E296 PolarHBondContact O-N 2.78Å; G293-E296 PolarHBondContact O-N 2.86Å; V294-E296 VanDerWaalsContact C-N 3.32Å; V294-E296 PolarHBondContact O-N 2.76Å; E296-K299 PolarHBondContact O-N 3.03Å; E296-K300 VanDerWaalsContact O-CB 3.26Å; E296-K300 WeakPolarHBondContact O-CB 3.02Å; E296-K300 VanDerWaalsContact O-CG 3.24Å; E296-K300 WeakPolarHBondContact O-CG 3.17Å; E296-K300 PolarHBondContact O-N 2.92Å; E296-K300 IonicContact OE2-NZ 3.98Å; E296-K300 PolarHBondContact OE2-NZ 3.46Å
297	E	39.9	Very low	45.7	Very low	135 Å²	135	102.5 Å²	102.5	63%	0.631	54%	0.543	S	S	*	.	H	α-helix	trans	-65.1	-50	172.2	-73.9	-172.6	153	0	0	110.7	G293 V294 K299 K300 E301	G293-E297 PolarHBondContact O-N 3.26Å; V294-E297 PolarHBondContact O-N 3.21Å; E297-K299 PolarHBondContact O-N 3.22Å; E297-K299 VanDerWaalsContact O-N 3.16Å; E297-K300 PolarHBondContact O-N 3.39Å; E297-E301 PolarHBondContact O-N 2.92Å
298	E	41.2	Very low	44.1	Very low	102 Å²	102	105.4 Å²	105.4	48%	0.477	56%	0.558	S	S	.	*	H	α-helix	trans	-59	-28.9	175.1	-73.3	-180	-163.6	0	0	113.1	V294 K302	V294-E298 WeakPolarHBondContact O-CG 3.42Å; V294-E298 PolarHBondContact O-N 3.07Å; E298-K302 WeakPolarHBondContact O-CD 3.38Å; E298-K302 WeakPolarHBondContact O-CG 3.21Å
299	K	37.9	Very low	42.2	Very low	117 Å²	117	110.3 Å²	110.3	51%	0.509	58%	0.582	S	S	.	*	H	α-helix	trans	-85.4	-25.4	174.2	-75.4	167.6	-171.1	145.1	0	113.5	E295 E296 E297 K303	E295-K299 VanDerWaalsContact O-CB 3.27Å; E295-K299 WeakPolarHBondContact O-CB 3.49Å; E295-K299 VanDerWaalsContact O-CD 3.31Å; E295-K299 WeakPolarHBondContact O-CD 3.41Å; E295-K299 WeakPolarHBondContact O-CG 3.27Å; E295-K299 PolarHBondContact O-N 3.03Å; E295-K299 VanDerWaalsContact O-N 3.1Å; E295-K299 IonicContact OE2-NZ 2.69Å; E295-K299 PolarHBondContact OE2-NZ 3.05Å; E296-K299 PolarHBondContact O-N 3.03Å; E297-K299 PolarHBondContact O-N 3.22Å; E297-K299 VanDerWaalsContact O-N 3.16Å; K299-K303 WeakPolarHBondContact O-CB 3.5Å; K299-K303 WeakPolarHBondContact O-CG 3.49Å; K299-K303 PolarHBondContact O-N 3.13Å; K299-K303 VanDerWaalsContact O-N 3.07Å
300	K	38.5	Very low	40.1	Very low	128 Å²	128	107.5 Å²	107.5	56%	0.557	58%	0.581	S	S	*	*	H	α-helix	trans	-78	-37.7	175.6	-81.9	168.2	-171.9	150.9	0	111.3	E296 E297 K302 K303 G304	E296-K300 VanDerWaalsContact O-CB 3.26Å; E296-K300 WeakPolarHBondContact O-CB 3.02Å; E296-K300 VanDerWaalsContact O-CG 3.24Å; E296-K300 WeakPolarHBondContact O-CG 3.17Å; E296-K300 PolarHBondContact O-N 2.92Å; E296-K300 IonicContact OE2-NZ 3.98Å; E296-K300 PolarHBondContact OE2-NZ 3.46Å; E297-K300 PolarHBondContact O-N 3.39Å; K300-K302 VanDerWaalsContact C-N 3.34Å; K300-K303 PolarHBondContact O-N 3.13Å; K300-G304 PolarHBondContact O-N 3.16Å
301	E	41	Very low	38.4	Very low	147 Å²	147	111.5 Å²	111.5	69%	0.687	60%	0.597	S	S	*	*	H	α-helix	trans	-57.3	-49.5	168.7	-70.1	-174.4	147.2	0	0	110.1	E297 K303 G304	E297-E301 PolarHBondContact O-N 2.92Å; E301-K303 VanDerWaalsContact C-N 3.26Å; E301-K303 PolarHBondContact O-N 3.13Å; E301-G304 PolarHBondContact O-N 2.75Å
302	K	39.4	Very low	37.2	Very low	154 Å²	154	118.5 Å²	118.5	67%	0.67	62%	0.622	S	S	*	*	H	α-helix	trans	-69.6	-11.3	177	-68.2	176.5	-176.7	174.7	0	116	E298 K300	E298-K302 WeakPolarHBondContact O-CD 3.38Å; E298-K302 WeakPolarHBondContact O-CG 3.21Å; K300-K302 VanDerWaalsContact C-N 3.34Å
303	K	34.3	Very low	36.2	Very low	150 Å²	150	123.4 Å²	123.4	65%	0.652	64%	0.642	S	S	*	*	H	α-helix	trans	-103.3	-22.9	173.7	-84.5	-170.7	169.5	-169.2	0	113.1	K299 K300 E301 E305 A306	K299-K303 WeakPolarHBondContact O-CB 3.5Å; K299-K303 WeakPolarHBondContact O-CG 3.49Å; K299-K303 PolarHBondContact O-N 3.13Å; K299-K303 VanDerWaalsContact O-N 3.07Å; K300-K303 PolarHBondContact O-N 3.13Å; E301-K303 VanDerWaalsContact C-N 3.26Å; E301-K303 PolarHBondContact O-N 3.13Å; K303-E305 PolarHBondContact O-N 2.81Å; K303-A306 PolarHBondContact O-N 3.32Å; K303-A306 VanDerWaalsContact O-N 3.12Å
304	G	31.4	Very low	35.7	Very low	55 Å²	55	129 Å²	129	57%	0.567	67%	0.67	S	S	*	*	H	α-helix	trans	-62.6	-31.8	173.1	0	0	0	0	0	112.1	K300 E301 A306	K300-G304 PolarHBondContact O-N 3.16Å; E301-G304 PolarHBondContact O-N 2.75Å; G304-A306 PolarHBondContact O-N 2.83Å
305	E	38.9	Very low	34.7	Very low	172 Å²	172	133.2 Å²	133.2	80%	0.804	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-0.5	174.9	-63	-179.6	145.8	0	0	114.1	K303	K303-E305 PolarHBondContact O-N 2.81Å
306	A	35.3	Very low	33.9	Very low	77 Å²	77	133.9 Å²	133.9	64%	0.636	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.2	12.4	-170.8	0	0	0	0	0	115.2	K303 G304	K303-A306 PolarHBondContact O-N 3.32Å; K303-A306 VanDerWaalsContact O-N 3.12Å; G304-A306 PolarHBondContact O-N 2.83Å
307	V	37.8	Very low	33.2	Very low	123 Å²	123	134.6 Å²	134.6	75%	0.745	72%	0.721	S	S	*	*	S	Bend	trans	-136.3	21.5	-179.4	-161.2	0	0	0	0	112.8
308	E	36	Very low	32.7	Very low	190 Å²	190	137 Å²	137	89%	0.888	73%	0.732	S	S	*	*	S	Bend	trans	-117.3	62	162.2	-78.5	-161.8	147.9	0	0	110.7
309	D	34.5	Very low	32.3	Very low	166 Å²	166	137.8 Å²	137.8	89%	0.888	75%	0.746	S	S	*	*			trans	-151.6	140.6	147.7	-131.9	-21.1	0	0	0	114.2
310	G	28	Very low	32.4	Very low	57 Å²	57	137.1 Å²	137.1	59%	0.588	75%	0.754	S	S	*	*			trans	84.4	90.9	172.4	0	0	0	0	0	117.6
311	H	29	Very low	31.7	Very low	199 Å²	199	137.6 Å²	137.6	92%	0.921	76%	0.762	S	S	*	*				-169.5	126.1	117.1	-101.9	69.4	0	0	0	110.4
312	Q	28.9	Very low	30.8	Very low	175 Å²	175	138.6 Å²	138.6	82%	0.818	77%	0.767	S	S	*	*			trans	-117.5	136.9	175	-91	-173.4	-0.5	0	0	112.3
313	N	28.5	Very low	30.8	Very low	143 Å²	143	136.3 Å²	136.3	77%	0.765	77%	0.768	S	S	*	*			trans	52.3	121.1	147.6	-60.2	-10.2	0	0	0	121.6
314	T	25.6	Very low	30.7	Very low	152 Å²	152	136 Å²	136	93%	0.933	77%	0.772	S	S	*	*				-152.6	156.2	127.1	34	0	0	0	0	111.1
315	D	24.9	Very low	30.3	Very low	152 Å²	152	137.8 Å²	137.8	81%	0.813	78%	0.781	S	S	*	*			trans	-97.4	160.4	-160.8	-115.4	-41.6	0	0	0	116.5
316	C	24.8	Very low	29.8	Very low	108 Å²	108	135.1 Å²	135.1	73%	0.73	78%	0.776	S	S	*	*			trans	70.8	138.1	145.2	-77.7	0	0	0	0	125.1
317	S	21.2	Very low	29.4	Very low	124 Å²	124	139.1 Å²	139.1	87%	0.867	79%	0.785	S	S	*	*			trans	107.1	113.5	141.2	74.6	0	0	0	0	121.5
318	H	29.4	Very low	28.8	Very low	185 Å²	185	137 Å²	137	86%	0.856	78%	0.78	S	S	*	*			trans	-85.1	158.8	155.3	-95.1	-56.5	0	0	0	109.9
319	P	32.1	Very low	28.2	Very low	119 Å²	119	134.7 Å²	134.7	77%	0.773	78%	0.78	S	S	*	*				-154.7	-151.3	82.9	40.8	-15.4	0	0	0	114.6
320	P	41.3	Very low	27.7	Very low	103 Å²	103	134.5 Å²	134.5	67%	0.669	78%	0.779	S	S	*	*				-137.5	-170.5	-91.8	45.3	-27	0	0	0	117.5
321	N	23	Very low	27.5	Very low	138 Å²	138	135.1 Å²	135.1	74%	0.738	79%	0.785	S	S	*	*			trans	89.4	103.3	154.2	-66.5	-14.1	0	0	0	122.6
322	H	23.2	Very low	27.2	Very low	169 Å²	169	131.1 Å²	131.1	78%	0.782	79%	0.786	S	S	*	*				40.3	168.5	101.8	-77.4	-58.7	0	0	0	122
323	P	39.5	Very low	27.1	Very low	106 Å²	106	127.9 Å²	127.9	69%	0.688	79%	0.79	S	S	*	*			cis	-140.9	158.9	5.8	17.1	11.2	0	0	0	120.3
324	I	30.2	Very low	26.8	Very low	144 Å²	144	124.7 Å²	124.7	74%	0.738	79%	0.791	S	S	*	*				60.3	129.4	122.3	-55.5	164.8	0	0	0	124.5
325	A	25.1	Very low	26.7	Very low	91 Å²	91	124.9 Å²	124.9	75%	0.752	78%	0.784	S	S	*	*				-164.3	106.4	123.4	0	0	0	0	0	111.8
326	T	27.5	Very low	26.7	Very low	117 Å²	117	125.2 Å²	125.2	72%	0.718	79%	0.786	S	S	*	*				64.1	136.1	94.8	-17.7	0	0	0	0	114.2
327	I	25.8	Very low	26.6	Very low	160 Å²	160	124.4 Å²	124.4	82%	0.821	79%	0.787	S	S	*	*			cis	-160.6	166.3	44.7	-63	163.3	0	0	0	108.8
328	A	25.2	Very low	27.2	Very low	78 Å²	78	124.9 Å²	124.9	65%	0.645	79%	0.787	S	S	*	*				164.2	114.4	-57.1	0	0	0	0	0	112
329	T	24.6	Very low	26.9	Very low	142 Å²	142	119.7 Å²	119.7	87%	0.871	78%	0.783	S	S	*	*			trans	-154.3	145	165	22.5	0	0	0	0	115.2
330	D	23.7	Very low	26.4	Very low	163 Å²	163	120.9 Å²	120.9	87%	0.872	79%	0.789	S	S	*	*			trans	-53.6	168	-175.8	-44.4	-54.1	0	0	0	118
331	G	23.8	Very low	25.4	Very low	70 Å²	70	119.6 Å²	119.6	72%	0.722	79%	0.787	S	S	*	*			cis	168.1	159.1	-5.6	0	0	0	0	0	115.6
332	A	23.9	Very low	25.4	Very low	114 Å²	114	118.1 Å²	118.1	94%	0.942	79%	0.788	S	S	*	*			trans	78.6	139	139.8	0	0	0	0	0	125.1
333	A	24.8	Very low	25.4	Very low	108 Å²	108	117 Å²	117	89%	0.893	79%	0.787	S	S	*	*			trans	-66.4	170.2	-173.8	0	0	0	0	0	119.5
334	G	23	Very low	24.7	Very low	76 Å²	76	118.4 Å²	118.4	78%	0.784	79%	0.787	S	S	*	*			trans	-164	147.3	166.3	0	0	0	0	0	113.5
335	I	24.6	Very low	24.3	Very low	155 Å²	155	119.2 Å²	119.2	80%	0.795	79%	0.793	S	S	*	*			trans	-122.2	157.3	-167	-77.5	167.5	0	0	0	112
336	N	24.4	Very low	24.2	Very low	160 Å²	160	117.8 Å²	117.8	86%	0.856	79%	0.787	S	S	*	*			trans	89.5	138	161.4	-79.8	-18	0	0	0	121.8
337	A	21.5	Very low	24	Very low	91 Å²	91	122 Å²	122	75%	0.752	80%	0.795	S	S	*	*			trans	-77.7	-177.3	164.4	0	0	0	0	0	110.6
338	P	34.3	Very low	23.8	Very low	134 Å²	134	122.7 Å²	122.7	87%	0.87	80%	0.797	S	S	*	*			cis	-140.7	179.5	23.4	42.2	-22.4	0	0	0	117.1
339	G	22.3	Very low	23.6	Very low	75 Å²	75	127.4 Å²	127.4	77%	0.773	81%	0.806	S	S	*	*			trans	161.3	102.3	164	0	0	0	0	0	118.2
340	T	21.7	Very low	23.5	Very low	144 Å²	144	128.5 Å²	128.5	88%	0.883	81%	0.806	S	S	*	*			trans	-50.9	160	156.1	38	0	0	0	0	114.1
341	A	22.1	Very low	23.4	Very low	77 Å²	77	123.5 Å²	123.5	64%	0.636	79%	0.793	S	S	*	*			cis	-174.9	170	-6.3	0	0	0	0	0	110.3
342	S	22.1	Very low	23.3	Very low	107 Å²	107	127.2 Å²	127.2	75%	0.748	80%	0.796	S	S	*	*			trans	60.1	151.3	146.4	52.4	0	0	0	0	120.5
343	L	23.6	Very low	23.3	Very low	145 Å²	145	128.1 Å²	128.1	76%	0.759	78%	0.782	S	S	*	*			cis	-161.3	149.9	2.4	-103.9	149.5	0	0	0	108.6
344	I	24.4	Very low	23.2	Very low	136 Å²	136	130.4 Å²	130.4	70%	0.697	78%	0.775	S	S	*	*			trans	26	125.1	134.6	-59.7	177.3	0	0	0	117.5
345	N	22.8	Very low	23.1	Very low	160 Å²	160	132 Å²	132	86%	0.856	77%	0.774	S	S	*	*				177.3	157.5	71.4	-145.3	-13.2	0	0	0	114.3
346	G	22.5	Very low	23	Very low	61 Å²	61	132 Å²	132	63%	0.629	78%	0.775	S	S	*	*				109.5	122.8	123.7	0	0	0	0	0	122.3
347	K	22.9	Very low	22.9	Very low	207 Å²	207	133.6 Å²	133.6	90%	0.9	78%	0.778	S	S	*	*			trans	81.5	97.7	147.3	-66.5	-171.7	173.5	-175.4	0	122
348	M	21.8	Very low	23.1	Very low	174 Å²	174	136.6 Å²	136.6	86%	0.857	78%	0.78	S	S	*	*				30.4	143.6	102.9	-88.7	-177.9	166.5	0	0	122.5
349	Q	21.5	Very low	22.5	Very low	177 Å²	177	140.2 Å²	140.2	83%	0.827	78%	0.782	S	S	*	*			trans	78	111.7	157.4	-71.6	175.8	-26.6	0	0	116.7
350	D	21.6	Very low	22.6	Very low	165 Å²	165	142.9 Å²	142.9	88%	0.882	78%	0.783	S	S	*	*			cis	85.2	137.9	43.9	-168.6	26.6	0	0	0	113.1
351	G	22.3	Very low	22.6	Very low	57 Å²	57	145.9 Å²	145.9	59%	0.588	78%	0.783	S	S	*	*			trans	136	113.2	172.1	0	0	0	0	0	117.2
352	N	21.5	Very low	22.7	Very low	149 Å²	149	151.5 Å²	151.5	80%	0.797	79%	0.793	S	S	*	*			trans	70.8	151	138.9	-86.4	9.8	0	0	0	120.7
353	M	24	Very low	23.6	Very low	132 Å²	132	151.2 Å²	151.2	65%	0.65	79%	0.789	S	S	*	*			cis	-158.6	154.4	-17	-144.4	156.5	78.5	0	0	109.7
354	E	22.1	Very low	23.4	Very low	157 Å²	157	151.8 Å²	151.8	73%	0.734	79%	0.793	S	S	*	*			trans	15.8	131.2	150.3	-63	177.7	147.4	0	0	121.6
355	S	21.1	Very low	23.4	Very low	110 Å²	110	149.2 Å²	149.2	77%	0.769	80%	0.8	S	S	*	*				150.8	134.3	97.5	56.5	0	0	0	0	116
356	N	22.9	Very low	23.4	Very low	153 Å²	153	146.7 Å²	146.7	82%	0.818	80%	0.801	S	S	*	*			trans	21.1	125.3	150.2	-68.6	-31.5	0	0	0	121.3
357	Q	22.6	Very low	23.6	Very low	195 Å²	195	148.7 Å²	148.7	91%	0.911	81%	0.812	S	S	*	*				-169.3	155.1	97	-102.7	-177.5	29.9	0	0	114.7
358	I	25.7	Very low	23.6	Very low	154 Å²	154	143.8 Å²	143.8	79%	0.79	81%	0.81	S	S	*	*			trans	-87	139.1	-177.7	-63.3	159.8	0	0	0	110.8
359	K	21.2	Very low	23.8	Very low	210 Å²	210	144.5 Å²	144.5	91%	0.913	81%	0.813	S	S	*	*			trans	-157.2	143	144.7	-116.5	163	-170	172.5	0	114.6
360	V	24.8	Very low	23.9	Very low	131 Å²	131	145.1 Å²	145.1	79%	0.794	82%	0.816	S	S	*	*			trans	-82.9	142.2	-173.8	173.4	0	0	0	0	111.8
361	K	22	Very low	24	Very low	206 Å²	206	146.3 Å²	146.3	90%	0.896	82%	0.819	S	S	*	*			trans	-154.1	143.1	149.7	-114.3	-179.2	-179.4	-173.3	0	112.5
362	K	22.8	Very low	24	Very low	195 Å²	195	152.7 Å²	152.7	85%	0.848	83%	0.833	S	S	*	*			trans	-143.6	166.8	166	-107.1	-168.6	177.8	-171.6	0	105.7
363	P	40.5	Very low	24.4	Very low	101 Å²	101	151.3 Å²	151.3	66%	0.656	83%	0.833	S	S	*	*			cis	-122.8	-175.8	-19	29.9	-8.6	0	0	0	111.4
364	D	20.8	Very low	24.3	Very low	158 Å²	158	153.6 Å²	153.6	85%	0.845	85%	0.846	S	S	*	*				159.9	156.2	127.7	-83.4	-10.5	0	0	0	112.5
365	G	24.5	Very low	24.4	Very low	81 Å²	81	155.2 Å²	155.2	84%	0.835	85%	0.851	S	S	*	*			trans	104.2	94.3	164	0	0	0	0	0	115.8
366	A	23.1	Very low	24.7	Very low	108 Å²	108	155.3 Å²	155.3	89%	0.893	85%	0.852	S	S	*	*			trans	-92.5	142.9	165.1	0	0	0	0	0	110.8
367	A	25.3	Very low	24.9	Very low	103 Å²	103	152.5 Å²	152.5	85%	0.851	85%	0.85	S	S	*	*			trans	-149.5	131	158.9	0	0	0	0	0	108.5
368	A	24.3	Very low	25.1	Very low	103 Å²	103	152.7 Å²	152.7	85%	0.851	85%	0.851	S	S	*	*			trans	-78.8	157.9	178.8	0	0	0	0	0	111.4
369	M	25.4	Very low	25	Very low	190 Å²	190	149.4 Å²	149.4	94%	0.936	86%	0.855	S	S	*	*			trans	-145.8	126.5	157.7	-155.3	166.7	176.8	0	0	110.2
370	E	23.6	Very low	25.1	Very low	190 Å²	190	143.2 Å²	143.2	89%	0.888	85%	0.851	S	S	*	*			trans	-73.8	148.3	-173.7	-62	167.2	122.3	0	0	111.8
371	M	23	Very low	25.2	Very low	190 Å²	190	146.7 Å²	146.7	94%	0.936	86%	0.858	S	S	*	*			trans	-93.8	125.8	168	-70.2	-170.6	-176.9	0	0	110.8
372	Q	22.8	Very low	25.4	Very low	191 Å²	191	141.2 Å²	141.2	89%	0.893	85%	0.851	S	S	*	*			trans	-136.9	151.2	149.9	-83.8	-159.7	3	0	0	111.3
373	P	30	Very low	25.6	Very low	120 Å²	120	139.7 Å²	139.7	78%	0.779	85%	0.852	S	S	*	*			trans	-94.3	144.7	-162.1	36.1	-34.3	0	0	0	112.8
374	L	22.6	Very low	25	Very low	179 Å²	179	144.5 Å²	144.5	94%	0.937	87%	0.866	S	S	*	*			trans	-139.8	138.3	169.1	-102.9	160.1	0	0	0	111.9
375	K	24.3	Very low	25.3	Very low	191 Å²	191	146.6 Å²	146.6	83%	0.83	87%	0.868	S	S	*	*			trans	-90.6	150.5	174.1	-83	-178	171.6	178.5	0	110.9
376	S	27.6	Very low	25.7	Very low	112 Å²	112	150.4 Å²	150.4	78%	0.783	86%	0.864	S	S	*	*			trans	68.3	116.3	143.7	53.4	0	0	0	0	121.5
377	A	26.5	Very low	25.8	Very low	94 Å²	94	157.1 Å²	157.1	78%	0.777	87%	0.866	S	S	*	*				112.5	140.4	123	0	0	0	0	0	118.6
378	E	26.3	Very low	25.9	Very low	200 Å²	200	160.7 Å²	160.7	94%	0.935	86%	0.862	S	S	*	*			trans	76.3	126.1	-174.4	-56.4	-174.2	170.6	0	0	115.6
379	G	23.4	Very low	25.9	Very low	85 Å²	85	165.2 Å²	165.2	88%	0.876	86%	0.863	S	S	*	*			cis	163.5	110.4	-5.9	0	0	0	0	0	110.1
380	G	24.3	Very low	25.8	Very low	80 Å²	80	163.1 Å²	163.1	83%	0.825	86%	0.86	S	S	*	*			trans	-175.7	118.4	-178	0	0	0	0	0	112.7
381	E	27	Very low	25.8	Very low	204 Å²	204	158.8 Å²	158.8	95%	0.953	85%	0.851	S	S	*	*			trans	-88.2	118.5	-174.5	-61	173.2	131	0	0	112
382	A	26.1	Very low	25.9	Very low	91 Å²	91	153.6 Å²	153.6	75%	0.752	84%	0.838	S	S	*	*			trans	-171.2	151.5	150.7	0	0	0	0	0	110.6
383	D	27.4	Very low	26	Very low	162 Å²	162	150.4 Å²	150.4	87%	0.866	83%	0.834	S	S	*	*			trans	62.7	68.1	168	-61.9	-23.4	0	0	0	119.2
384	E	26.3	Very low	25.8	Very low	202 Å²	202	153.8 Å²	153.8	94%	0.944	84%	0.837	S	S	*	*			trans	-90.2	85.1	150.7	-80.3	-155.8	133.5	0	0	111.9
385	K	28.4	Very low	26.5	Very low	202 Å²	202	155 Å²	155	88%	0.878	83%	0.834	S	S	*	*			trans	-136.9	141.7	149.4	-92.2	-171.3	176.2	-177.4	0	110
386	E	32.2	Very low	27.5	Very low	161 Å²	161	154.2 Å²	154.2	75%	0.752	83%	0.833	S	S	*	*			trans	66	71.2	179.2	-56.4	-143.1	124.2	0	0	118.2	K388	E386-K388 IonicContact OE1-NZ 2.78Å
387	R	25.6	Very low	28.8	Very low	249 Å²	249	155.9 Å²	155.9	94%	0.94	83%	0.827	S	S	*	*			trans	-112	90.2	142	-78.2	-173.1	175.1	-176.4	0.2	110.5	K389	R387-K389 PolarHBondContact O-N 2.86Å; R387-K389 VanDerWaalsContact O-N 3.1Å
388	K	25.9	Very low	30.9	Very low	178 Å²	178	152.1 Å²	152.1	77%	0.774	80%	0.795	S	S	*	*			trans	-61.3	111.5	168.6	-81	172.7	178.7	154.4	0	108.9	E386 V390	E386-K388 IonicContact OE1-NZ 2.78Å; K388-V390 PolarHBondContact O-N 2.84Å; K388-V390 VanDerWaalsContact O-N 3.17Å
389	K	25	Very low	33.1	Very low	199 Å²	199	144.3 Å²	144.3	87%	0.865	76%	0.76	S	S	*	*			trans	-57.8	119.1	165.2	-75.9	-179.5	175.5	178.6	0	107.8	R387 S391	R387-K389 PolarHBondContact O-N 2.86Å; R387-K389 VanDerWaalsContact O-N 3.1Å; K389-S391 VanDerWaalsContact C-N 3.25Å; K389-S391 PolarHBondContact O-N 3.49Å
390	V	24.2	Very low	35.7	Very low	146 Å²	146	140.3 Å²	140.3	89%	0.885	72%	0.719	S	S	*	*			trans	-69.4	88.5	171.3	-179.4	0	0	0	0	107.6	K388 A392	K388-V390 PolarHBondContact O-N 2.84Å; K388-V390 VanDerWaalsContact O-N 3.17Å; V390-A392 PolarHBondContact O-N 2.99Å
391	S	23	Very low	38.1	Very low	99 Å²	99	140.2 Å²	140.2	69%	0.692	70%	0.697	S	S	*	*			trans	-68.6	123.5	169.7	58.1	0	0	0	0	108.4	K389	K389-S391 VanDerWaalsContact C-N 3.25Å; K389-S391 PolarHBondContact O-N 3.49Å
392	A	24.4	Very low	40.4	Very low	80 Å²	80	132.2 Å²	132.2	66%	0.661	67%	0.669	S	S	*	*			trans	-50.1	138.8	167.6	0	0	0	0	0	109.6	V390 K394	V390-A392 PolarHBondContact O-N 2.99Å; A392-K394 PolarHBondContact O-N 3.23Å
393	P	25.2	Very low	43	Very low	125 Å²	125	130.5 Å²	130.5	81%	0.812	65%	0.645	S	S	*	*			trans	-61	113.2	-174.6	23.6	-33.1	0	0	0	109.8	K395	P393-K395 PolarHBondContact O-N 2.87Å
394	K	27.1	Very low	45.6	Very low	191 Å²	191	123 Å²	123	83%	0.83	61%	0.605	S	S	*	*			trans	-57.6	123.1	170.4	-75.6	177.6	176.2	174.4	0	107.3	A392 E396	A392-K394 PolarHBondContact O-N 3.23Å; K394-E396 PolarHBondContact O-N 3Å
395	K	36.8	Very low	48	Very low	203 Å²	203	116.4 Å²	116.4	88%	0.883	58%	0.578	S	S	*	*			trans	-53.6	113.3	172.2	-74.9	-176.9	175.4	-179.9	0	108.6	P393 K397	P393-K395 PolarHBondContact O-N 2.87Å; K395-K397 PolarHBondContact O-N 3.08Å
396	E	45.6	Very low	50.5	Low	175 Å²	175	113.5 Å²	113.5	82%	0.818	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-61.2	132.6	173.9	-64.3	-165.3	165.4	0	0	108.4	K394	K394-E396 PolarHBondContact O-N 3Å
397	K	54.8	Low	52.8	Low	148 Å²	148	107.1 Å²	107.1	64%	0.643	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-79.3	143.3	176.4	-65.5	-175.3	-177.2	-176.8	0	108.6	K395	K395-K397 PolarHBondContact O-N 3.08Å
398	S	70	Confident	55.4	Low	15 Å²	15	96.6 Å²	96.6	11%	0.105	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-58.7	151.2	177.5	-160.7	0	0	0	0	112	L400 Q401 G402 E502	S398-L400 PolarHBondContact O-N 3.06Å; S398-Q401 WeakPolarHBondContact O-CB 3.5Å; S398-Q401 PolarHBondContact O-N 3.21Å; S398-Q401 VanDerWaalsContact O-N 3.11Å; S398-G402 PolarHBondContact O-N 3.29Å; S398-E502 WeakPolarHBondContact CB-OE2 3.38Å; S398-E502 PolarHBondContact OG-OE2 2.92Å
399	V	73.1	Confident	57.9	Low	35 Å²	35	91.8 Å²	91.8	21%	0.212	49%	0.488	C	S	.	.	H	α-helix	trans	-58.2	-46.9	-173.8	179.2	0	0	0	0	111.5	G402 K403 R956	V399-G402 PolarHBondContact O-N 3.4Å; V399-K403 PolarHBondContact O-N 3.32Å; V399-K403 VanDerWaalsContact O-N 3.16Å; V399-R956 HydrophobicContact CG1-CG 3.93Å; V399-R956 HydrophobicContact CG2-CG 4.38Å
400	L	77.1	Confident	60.7	Low	2 Å²	2	87.4 Å²	87.4	1%	0.01	47%	0.471	C	S	.	.	H	α-helix	trans	-66.9	-37.4	177.6	-174.7	59.4	0	0	0	112.4	S398 G402 K403 L404 E502 Y886 I889 L960	S398-L400 PolarHBondContact O-N 3.06Å; L400-G402 VanDerWaalsContact C-N 3.33Å; L400-G402 PolarHBondContact O-N 3.26Å; L400-K403 PolarHBondContact O-N 3.29Å; L400-L404 HydrophobicContact CD1-CD1 4.28Å; L400-L404 HydrophobicContact CD1-CG 4.45Å; L400-L404 HydrophobicContact CG-CD1 3.94Å; L400-L404 WeakPolarHBondContact O-CB 3.47Å; L400-L404 WeakPolarHBondContact O-CG 3.33Å; L400-L404 PolarHBondContact O-N 2.89Å; L400-E502 HydrophobicContact CB-CG 4.28Å; L400-E502 WeakPolarHBondContact CB-OE1 3.44Å; L400-E502 WeakPolarHBondContact CB-OE2 3.35Å; L400-E502 HydrophobicContact CD2-CG 4.48Å; L400-E502 PolarHBondContact N-OE1 2.92Å; L400-Y886 HydrophobicContact CD1-CD2 4.3Å; L400-Y886 HydrophobicContact CD1-CE2 4.21Å; L400-Y886 HydrophobicContact CD2-CD2 4.38Å; L400-I889 HydrophobicContact CD2-CB 4.28Å; L400-I889 HydrophobicContact CD2-CD1 3.38Å; L400-I889 HydrophobicContact CD2-CG1 4.42Å; L400-I889 HydrophobicContact CD2-CG2 4.1Å; L400-L960 HydrophobicContact CD1-CD1 3.46Å; L400-L960 VanDerWaalsContact CD1-CD1 3.46Å; L400-L960 HydrophobicContact CD1-CD2 3.68Å; L400-L960 HydrophobicContact CD1-CG 4.2Å
401	Q	74.5	Confident	63.5	Low	77 Å²	77	82.1 Å²	82.1	36%	0.36	44%	0.437	S	S	.	.	H	α-helix	trans	-61.1	-43.3	176.2	-168.5	-177	10.7	0	0	110.8	S398 L404 T405	S398-Q401 WeakPolarHBondContact O-CB 3.5Å; S398-Q401 PolarHBondContact O-N 3.21Å; S398-Q401 VanDerWaalsContact O-N 3.11Å; Q401-L404 PolarHBondContact O-N 2.9Å; Q401-T405 PolarHBondContact O-N 2.94Å; Q401-T405 PolarHBondContact O-OG1 2.84Å
402	G	75.5	Confident	66.3	Low	36 Å²	36	78.2 Å²	78.2	37%	0.371	41%	0.413	S	S	.	.	H	α-helix	trans	-59.5	-46	173.7	0	0	0	0	0	113	S398 V399 L400 L404 T405 K406	S398-G402 PolarHBondContact O-N 3.29Å; V399-G402 PolarHBondContact O-N 3.4Å; L400-G402 VanDerWaalsContact C-N 3.33Å; L400-G402 PolarHBondContact O-N 3.26Å; G402-L404 PolarHBondContact O-N 2.86Å; G402-T405 PolarHBondContact O-N 3.47Å; G402-K406 PolarHBondContact O-N 3.19Å; G402-K406 VanDerWaalsContact O-N 3.1Å
403	K	82.1	Confident	69.1	Low	56 Å²	56	81.6 Å²	81.6	24%	0.243	41%	0.413	C	S	.	.	H	α-helix	trans	-61.6	-42.8	176.2	-71.2	-179.3	-179.6	-179.7	0	112.5	V399 L400 K406 L407 R956 K958	V399-K403 PolarHBondContact O-N 3.32Å; V399-K403 VanDerWaalsContact O-N 3.16Å; L400-K403 PolarHBondContact O-N 3.29Å; K403-K406 PolarHBondContact O-N 2.82Å; K403-L407 PolarHBondContact O-N 3.1Å; K403-R956 WeakPolarHBondContact CE-O 3.27Å; K403-R956 PolarHBondContact NZ-O 3.27Å; K403-K958 PolarHBondContact NZ-O 2.92Å
404	L	80	Confident	72.1	Confident	5 Å²	5	78.3 Å²	78.3	3%	0.026	40%	0.396	C	S	.	.	H	α-helix	trans	-68.6	-38.4	179	-79.1	166.8	0	0	0	112.6	L400 Q401 G402 K406 L407 A408 L473 V477 I889 L893 L960	L400-L404 HydrophobicContact CD1-CD1 4.28Å; L400-L404 HydrophobicContact CD1-CG 4.45Å; L400-L404 HydrophobicContact CG-CD1 3.94Å; L400-L404 WeakPolarHBondContact O-CB 3.47Å; L400-L404 WeakPolarHBondContact O-CG 3.33Å; L400-L404 PolarHBondContact O-N 2.89Å; Q401-L404 PolarHBondContact O-N 2.9Å; G402-L404 PolarHBondContact O-N 2.86Å; L404-K406 VanDerWaalsContact C-N 3.34Å; L404-K406 PolarHBondContact O-N 2.81Å; L404-L407 PolarHBondContact O-N 3.11Å; L404-A408 WeakPolarHBondContact O-CB 3.35Å; L404-A408 PolarHBondContact O-N 2.92Å; L404-L473 HydrophobicContact CD2-CB 4.49Å; L404-L473 HydrophobicContact CD2-CD1 4.41Å; L404-V477 HydrophobicContact CD1-CG2 3.1Å; L404-I889 HydrophobicContact CD1-CG2 4.08Å; L404-L893 HydrophobicContact CD2-CD1 4Å; L404-L893 HydrophobicContact CD2-CD2 3.91Å; L404-L893 HydrophobicContact CD2-CG 4.38Å; L404-L960 HydrophobicContact CD2-CD2 3.69Å; L404-L960 HydrophobicContact CG-CD2 3.85Å
405	T	77.7	Confident	74.9	Confident	62 Å²	62	69.4 Å²	69.4	38%	0.38	36%	0.358	S	S	.	.	H	α-helix	trans	-60.7	-43.9	172	-54.4	0	0	0	0	110.9	Q401 G402 L407 A408 V409	Q401-T405 PolarHBondContact O-N 2.94Å; Q401-T405 PolarHBondContact O-OG1 2.84Å; G402-T405 PolarHBondContact O-N 3.47Å; T405-L407 PolarHBondContact O-N 2.87Å; T405-A408 PolarHBondContact O-N 3.43Å; T405-V409 WeakPolarHBondContact O-CG2 3.38Å; T405-V409 PolarHBondContact O-N 3.04Å; T405-V409 VanDerWaalsContact O-N 3.1Å
406	K	81.2	Confident	77.3	Confident	142 Å²	142	64.6 Å²	64.6	62%	0.617	34%	0.341	S	S	*	.	H	α-helix	trans	-61.3	-42.9	175.6	-170.5	174.6	-178.7	177.6	0	111.7	G402 K403 L404 Q410	G402-K406 PolarHBondContact O-N 3.19Å; G402-K406 VanDerWaalsContact O-N 3.1Å; K403-K406 PolarHBondContact O-N 2.82Å; L404-K406 VanDerWaalsContact C-N 3.34Å; L404-K406 PolarHBondContact O-N 2.81Å; K406-Q410 WeakPolarHBondContact O-CG 3.46Å; K406-Q410 PolarHBondContact O-N 3.43Å; K406-Q410 VanDerWaalsContact O-N 3.15Å
407	L	81	Confident	79.4	Confident	27 Å²	27	61.5 Å²	61.5	14%	0.141	33%	0.33	C	S	.	.	H	α-helix	trans	-63.5	-49.6	177.2	-167.2	93.3	0	0	0	112.1	K403 L404 T405 V409 Q410 I411 L473 L893 I961	K403-L407 PolarHBondContact O-N 3.1Å; L404-L407 PolarHBondContact O-N 3.11Å; T405-L407 PolarHBondContact O-N 2.87Å; L407-V409 VanDerWaalsContact C-N 3.32Å; L407-V409 PolarHBondContact O-N 3.2Å; L407-Q410 PolarHBondContact O-N 3.43Å; L407-Q410 VanDerWaalsContact O-N 3.14Å; L407-I411 HydrophobicContact CD2-CD1 3.79Å; L407-I411 HydrophobicContact CG-CD1 3.79Å; L407-I411 WeakPolarHBondContact O-CG1 3.48Å; L407-I411 PolarHBondContact O-N 3.44Å; L407-L473 HydrophobicContact CD2-CD1 3.97Å; L407-L893 HydrophobicContact CD2-CD2 3.9Å; L407-I961 HydrophobicContact CD1-CD1 3.88Å
408	A	79.3	Confident	81	Confident	27 Å²	27	57 Å²	57	22%	0.223	31%	0.312	C	S	.	.	H	α-helix	trans	-59	-42.8	-179.5	0	0	0	0	0	111.7	L404 T405 Q410 I411 G412 L473	L404-A408 WeakPolarHBondContact O-CB 3.35Å; L404-A408 PolarHBondContact O-N 2.92Å; T405-A408 PolarHBondContact O-N 3.43Å; A408-Q410 PolarHBondContact O-N 3.02Å; A408-I411 PolarHBondContact O-N 2.74Å; A408-G412 PolarHBondContact O-N 3Å; A408-L473 HydrophobicContact CB-CD1 4.25Å
409	V	79.4	Confident	81.8	Confident	78 Å²	78	56.8 Å²	56.8	47%	0.473	31%	0.311	S	S	.	.	H	α-helix	trans	-64.9	-38.6	175.9	171.7	0	0	0	0	112.1	T405 L407 K413	T405-V409 WeakPolarHBondContact O-CG2 3.38Å; T405-V409 PolarHBondContact O-N 3.04Å; T405-V409 VanDerWaalsContact O-N 3.1Å; L407-V409 VanDerWaalsContact C-N 3.32Å; L407-V409 PolarHBondContact O-N 3.2Å; V409-K413 HydrophobicContact CG1-CD 4.5Å; V409-K413 WeakPolarHBondContact O-CG 3.45Å; V409-K413 PolarHBondContact O-N 3.14Å; V409-K413 VanDerWaalsContact O-N 3.11Å
410	Q	83	Confident	82.6	Confident	106 Å²	106	57.2 Å²	57.2	50%	0.495	32%	0.318	S	S	.	.	H	α-helix	trans	-65.4	-44.2	175.3	-75.4	177.2	-26.7	0	0	111.8	K406 L407 A408 K413 A414	K406-Q410 WeakPolarHBondContact O-CG 3.46Å; K406-Q410 PolarHBondContact O-N 3.43Å; K406-Q410 VanDerWaalsContact O-N 3.15Å; L407-Q410 PolarHBondContact O-N 3.43Å; L407-Q410 VanDerWaalsContact O-N 3.14Å; A408-Q410 PolarHBondContact O-N 3.02Å; Q410-K413 PolarHBondContact O-N 2.94Å; Q410-A414 PolarHBondContact O-N 2.84Å; Q410-A414 VanDerWaalsContact O-N 3.14Å
411	I	83.6	Confident	83.3	Confident	35 Å²	35	60 Å²	60	18%	0.179	33%	0.332	C	S	.	.	H	α-helix	trans	-64.5	-46	177.8	-66.5	166.2	0	0	0	110.5	L407 A408 K413 A414 G415 A468 P470 L897	L407-I411 HydrophobicContact CD2-CD1 3.79Å; L407-I411 HydrophobicContact CG-CD1 3.79Å; L407-I411 WeakPolarHBondContact O-CG1 3.48Å; L407-I411 PolarHBondContact O-N 3.44Å; A408-I411 PolarHBondContact O-N 2.74Å; I411-K413 VanDerWaalsContact C-N 3.34Å; I411-K413 PolarHBondContact O-N 2.66Å; I411-A414 PolarHBondContact O-N 3.28Å; I411-A414 VanDerWaalsContact O-N 3.12Å; I411-G415 PolarHBondContact O-N 3.33Å; I411-A468 WeakPolarHBondContact CG2-O 3.05Å; I411-P470 HydrophobicContact CD1-CG 4.25Å; I411-P470 HydrophobicContact CG2-CG 4.23Å; I411-L897 HydrophobicContact CD1-CD2 3.58Å
412	G	81.3	Confident	84	Confident	18 Å²	18	56.4 Å²	56.4	19%	0.186	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-38.9	178.4	0	0	0	0	0	113.4	A408 G415 L416	A408-G412 PolarHBondContact O-N 3Å; G412-G415 PolarHBondContact O-N 2.8Å; G412-L416 WeakPolarHBondContact O-CB 3.41Å; G412-L416 PolarHBondContact O-N 3.37Å
413	K	84	Confident	84.7	Confident	151 Å²	151	56.2 Å²	56.2	66%	0.657	31%	0.307	S	S	*	.	H	α-helix	trans	-63.2	-41.7	172.6	-74.4	-179.6	-179.6	-170.8	0	112.6	V409 Q410 I411 L417	V409-K413 HydrophobicContact CG1-CD 4.5Å; V409-K413 WeakPolarHBondContact O-CG 3.45Å; V409-K413 PolarHBondContact O-N 3.14Å; V409-K413 VanDerWaalsContact O-N 3.11Å; Q410-K413 PolarHBondContact O-N 2.94Å; I411-K413 VanDerWaalsContact C-N 3.34Å; I411-K413 PolarHBondContact O-N 2.66Å; K413-L417 PolarHBondContact O-N 3.44Å; K413-L417 VanDerWaalsContact O-N 3.16Å
414	A	86.2	Confident	85.1	Confident	56 Å²	56	58.1 Å²	58.1	46%	0.463	32%	0.319	S	S	.	.	H	α-helix	trans	-67.8	-40.8	176.6	0	0	0	0	0	112	Q410 I411 L417 M418	Q410-A414 PolarHBondContact O-N 2.84Å; Q410-A414 VanDerWaalsContact O-N 3.14Å; I411-A414 PolarHBondContact O-N 3.28Å; I411-A414 VanDerWaalsContact O-N 3.12Å; A414-L417 PolarHBondContact O-N 3.33Å; A414-M418 WeakPolarHBondContact O-CG 3.29Å; A414-M418 PolarHBondContact O-N 3.02Å
415	G	86.8	Confident	85.5	Confident	3 Å²	3	60.7 Å²	60.7	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-61.6	-46.3	175.4	0	0	0	0	0	113	I411 G412 L417 M418 S419	I411-G415 PolarHBondContact O-N 3.33Å; G412-G415 PolarHBondContact O-N 2.8Å; G415-L417 VanDerWaalsContact C-N 3.34Å; G415-L417 PolarHBondContact O-N 2.91Å; G415-M418 PolarHBondContact O-N 3.3Å; G415-S419 VanDerWaalsContact O-CB 3.28Å; G415-S419 WeakPolarHBondContact O-CB 3.36Å; G415-S419 PolarHBondContact O-N 3.36Å
416	L	87.1	Confident	86	Confident	102 Å²	102	58 Å²	58	53%	0.534	32%	0.315	S	S	.	.	H	α-helix	trans	-60.2	-42.8	175.5	-176.1	65	0	0	0	112.1	G412 A420 L465	G412-L416 WeakPolarHBondContact O-CB 3.41Å; G412-L416 PolarHBondContact O-N 3.37Å; L416-A420 WeakPolarHBondContact O-CB 3.41Å; L416-A420 PolarHBondContact O-N 3.47Å; L416-L465 HydrophobicContact CB-CD1 4.2Å; L416-L465 HydrophobicContact CD1-CD1 4.39Å; L416-L465 HydrophobicContact CD1-CD2 4.26Å
417	L	90.2	Very high	86.3	Confident	110 Å²	110	53.5 Å²	53.5	58%	0.576	30%	0.299	S	S	*	.	H	α-helix	trans	-63.1	-47.3	176.1	-178.6	63	0	0	0	111.7	K413 A414 G415 A420 I421	K413-L417 PolarHBondContact O-N 3.44Å; K413-L417 VanDerWaalsContact O-N 3.16Å; A414-L417 PolarHBondContact O-N 3.33Å; G415-L417 VanDerWaalsContact C-N 3.34Å; G415-L417 PolarHBondContact O-N 2.91Å; L417-A420 PolarHBondContact O-N 3.1Å; L417-I421 HydrophobicContact CD1-CD1 3.99Å; L417-I421 HydrophobicContact CD1-CG1 4.4Å; L417-I421 HydrophobicContact CG-CD1 3.89Å; L417-I421 VanDerWaalsContact O-CG1 3.23Å; L417-I421 WeakPolarHBondContact O-CG1 3.47Å; L417-I421 PolarHBondContact O-N 3.3Å
418	M	87.8	Confident	86.7	Confident	54 Å²	54	56.7 Å²	56.7	27%	0.266	32%	0.316	S	S	.	.	H	α-helix	trans	-64.5	-41.4	178.4	-72.6	-59	-58.5	0	0	112.5	A414 G415 I421 T422 V904 F908	A414-M418 WeakPolarHBondContact O-CG 3.29Å; A414-M418 PolarHBondContact O-N 3.02Å; G415-M418 PolarHBondContact O-N 3.3Å; M418-I421 PolarHBondContact O-N 3.46Å; M418-T422 WeakPolarHBondContact O-CB 3.47Å; M418-T422 PolarHBondContact O-N 3.03Å; M418-T422 PolarHBondContact O-OG1 2.95Å; M418-V904 HydrophobicContact CB-CG1 4.32Å; M418-V904 HydrophobicContact CG-CG1 4.42Å; M418-F908 HydrophobicContact CE-CB 4.02Å; M418-F908 HydrophobicContact CE-CD1 3.85Å; M418-F908 HydrophobicContact CE-CD2 3.51Å; M418-F908 HydrophobicContact CE-CE1 4.19Å; M418-F908 HydrophobicContact CE-CE2 3.88Å; M418-F908 HydrophobicContact CE-CG 3.5Å; M418-F908 VanDerWaalsContact CE-CG 3.5Å; M418-F908 HydrophobicContact CE-CZ 4.2Å
419	S	87.9	Confident	87	Confident	11 Å²	11	60.5 Å²	60.5	8%	0.077	33%	0.325	C	S	.	.	H	α-helix	trans	-57.6	-52.6	174	171.7	0	0	0	0	111.1	G415 I421 T422 V423 G461	G415-S419 VanDerWaalsContact O-CB 3.28Å; G415-S419 WeakPolarHBondContact O-CB 3.36Å; G415-S419 PolarHBondContact O-N 3.36Å; S419-I421 PolarHBondContact O-N 2.89Å; S419-T422 WeakPolarHBondContact O-CB 3.34Å; S419-T422 PolarHBondContact O-N 2.87Å; S419-T422 VanDerWaalsContact O-N 3.11Å; S419-V423 WeakPolarHBondContact O-CG2 3.4Å; S419-V423 PolarHBondContact O-N 2.92Å; S419-G461 WeakPolarHBondContact CB-O 3.02Å; S419-G461 VanDerWaalsContact OG-C 3.25Å; S419-G461 PolarHBondContact OG-O 3.16Å
420	A	90.1	Very high	87.2	Confident	44 Å²	44	57.3 Å²	57.3	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-60	-43.8	178.8	0	0	0	0	0	112.6	L416 L417 T422 V423 I424	L416-A420 WeakPolarHBondContact O-CB 3.41Å; L416-A420 PolarHBondContact O-N 3.47Å; L417-A420 PolarHBondContact O-N 3.1Å; A420-T422 VanDerWaalsContact C-N 3.32Å; A420-T422 PolarHBondContact O-N 2.88Å; A420-V423 PolarHBondContact O-N 3.19Å; A420-I424 WeakPolarHBondContact O-CB 3.49Å; A420-I424 WeakPolarHBondContact O-CD1 3.36Å; A420-I424 VanDerWaalsContact O-CG1 3.24Å; A420-I424 WeakPolarHBondContact O-CG1 3.34Å; A420-I424 PolarHBondContact O-N 2.86Å
421	I	91.1	Very high	87.3	Confident	61 Å²	61	53.6 Å²	53.6	31%	0.313	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-41.7	175.5	-67.2	166.9	0	0	0	110.8	L417 M418 S419 I424 I425 F908	L417-I421 HydrophobicContact CD1-CD1 3.99Å; L417-I421 HydrophobicContact CD1-CG1 4.4Å; L417-I421 HydrophobicContact CG-CD1 3.89Å; L417-I421 VanDerWaalsContact O-CG1 3.23Å; L417-I421 WeakPolarHBondContact O-CG1 3.47Å; L417-I421 PolarHBondContact O-N 3.3Å; M418-I421 PolarHBondContact O-N 3.46Å; S419-I421 PolarHBondContact O-N 2.89Å; I421-I424 PolarHBondContact O-N 3.14Å; I421-I425 HydrophobicContact CG2-CD1 3.66Å; I421-I425 HydrophobicContact CG2-CG1 4.3Å; I421-I425 WeakPolarHBondContact O-CB 3.27Å; I421-I425 VanDerWaalsContact O-CG1 3.3Å; I421-I425 WeakPolarHBondContact O-CG1 3.37Å; I421-I425 PolarHBondContact O-N 3.24Å; I421-F908 HydrophobicContact CG2-CE2 3.98Å
422	T	88.4	Confident	87.4	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.5	-48.4	178.4	-51.3	0	0	0	0	111.3	M418 S419 A420 I425 L426 I460 F908 A911	M418-T422 WeakPolarHBondContact O-CB 3.47Å; M418-T422 PolarHBondContact O-N 3.03Å; M418-T422 PolarHBondContact O-OG1 2.95Å; S419-T422 WeakPolarHBondContact O-CB 3.34Å; S419-T422 PolarHBondContact O-N 2.87Å; S419-T422 VanDerWaalsContact O-N 3.11Å; A420-T422 VanDerWaalsContact C-N 3.32Å; A420-T422 PolarHBondContact O-N 2.88Å; T422-I425 PolarHBondContact O-N 2.93Å; T422-L426 HydrophobicContact CG2-CD1 4.09Å; T422-L426 WeakPolarHBondContact O-CG 3.26Å; T422-L426 PolarHBondContact O-N 3.38Å; T422-I460 HydrophobicContact CG2-CG2 4.36Å; T422-F908 WeakPolarHBondContact OG1-CD2 3.38Å; T422-A911 HydrophobicContact CG2-CB 3.67Å
423	V	89.9	Confident	87.5	Confident	32 Å²	32	57.1 Å²	57.1	19%	0.194	31%	0.307	C	S	.	.	H	α-helix	trans	-61.2	-46.6	177.8	177.4	0	0	0	0	110.8	S419 A420 I425 L426 V427	S419-V423 WeakPolarHBondContact O-CG2 3.4Å; S419-V423 PolarHBondContact O-N 2.92Å; A420-V423 PolarHBondContact O-N 3.19Å; V423-I425 PolarHBondContact O-N 2.9Å; V423-L426 PolarHBondContact O-N 3.16Å; V423-V427 HydrophobicContact CG1-CG2 4.17Å; V423-V427 WeakPolarHBondContact O-CB 3.49Å; V423-V427 WeakPolarHBondContact O-CG2 3.46Å; V423-V427 PolarHBondContact O-N 3.49Å
424	I	90.8	Very high	87.3	Confident	97 Å²	97	50.8 Å²	50.8	50%	0.497	28%	0.28	S	S	.	.	H	α-helix	trans	-60	-44.4	179.1	-70.2	164.6	0	0	0	111.1	A420 I421 L428	A420-I424 WeakPolarHBondContact O-CB 3.49Å; A420-I424 WeakPolarHBondContact O-CD1 3.36Å; A420-I424 VanDerWaalsContact O-CG1 3.24Å; A420-I424 WeakPolarHBondContact O-CG1 3.34Å; A420-I424 PolarHBondContact O-N 2.86Å; I421-I424 PolarHBondContact O-N 3.14Å; I424-L428 HydrophobicContact CG2-CD1 3.68Å; I424-L428 HydrophobicContact CG2-CG 4.32Å; I424-L428 VanDerWaalsContact O-CB 3.31Å; I424-L428 WeakPolarHBondContact O-CB 3.24Å; I424-L428 VanDerWaalsContact O-CG 3.24Å; I424-L428 WeakPolarHBondContact O-CG 3.24Å; I424-L428 PolarHBondContact O-N 2.86Å
425	I	89.5	Confident	87.2	Confident	59 Å²	59	50.5 Å²	50.5	30%	0.303	27%	0.269	S	S	.	.	H	α-helix	trans	-63.8	-46.9	178.5	-70.5	170.9	0	0	0	111	I421 T422 V423 L428 Y429 F908	I421-I425 HydrophobicContact CG2-CD1 3.66Å; I421-I425 HydrophobicContact CG2-CG1 4.3Å; I421-I425 WeakPolarHBondContact O-CB 3.27Å; I421-I425 VanDerWaalsContact O-CG1 3.3Å; I421-I425 WeakPolarHBondContact O-CG1 3.37Å; I421-I425 PolarHBondContact O-N 3.24Å; T422-I425 PolarHBondContact O-N 2.93Å; V423-I425 PolarHBondContact O-N 2.9Å; I425-L428 PolarHBondContact O-N 3.13Å; I425-Y429 VanDerWaalsContact O-CB 3.22Å; I425-Y429 WeakPolarHBondContact O-CB 3.26Å; I425-Y429 PolarHBondContact O-N 3.21Å; I425-F908 HydrophobicContact CD1-CE2 4.01Å; I425-F908 HydrophobicContact CD1-CZ 4.25Å
426	L	87.1	Confident	87	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-46.4	178.8	-73.7	169.5	0	0	0	112	T422 V423 Y429 F430 F457 I460 A911	T422-L426 HydrophobicContact CG2-CD1 4.09Å; T422-L426 WeakPolarHBondContact O-CG 3.26Å; T422-L426 PolarHBondContact O-N 3.38Å; V423-L426 PolarHBondContact O-N 3.16Å; L426-Y429 PolarHBondContact O-N 3.43Å; L426-F430 VanDerWaalsContact O-CB 3.31Å; L426-F430 WeakPolarHBondContact O-CB 3.42Å; L426-F430 PolarHBondContact O-N 3.13Å; L426-F457 HydrophobicContact CB-CB 3.99Å; L426-F457 HydrophobicContact CB-CD1 3.76Å; L426-F457 HydrophobicContact CB-CD2 4.16Å; L426-F457 HydrophobicContact CB-CE1 4.26Å; L426-F457 HydrophobicContact CB-CG 3.71Å; L426-F457 HydrophobicContact CD1-CB 4.09Å; L426-F457 HydrophobicContact CD1-CD1 3.89Å; L426-F457 HydrophobicContact CD1-CG 4.26Å; L426-F457 HydrophobicContact CD2-CD1 4.11Å; L426-F457 HydrophobicContact CD2-CE1 4.2Å; L426-F457 HydrophobicContact CG-CD1 4.15Å; L426-F457 HydrophobicContact CG-CG 4.5Å; L426-I460 HydrophobicContact CD1-CB 4.3Å; L426-I460 HydrophobicContact CD1-CD1 4.3Å; L426-I460 HydrophobicContact CD1-CG2 4.02Å; L426-A911 HydrophobicContact CD1-CB 4.15Å; L426-A911 HydrophobicContact CD2-CB 4.12Å; L426-A911 WeakPolarHBondContact CD2-O 3.41Å; L426-A911 HydrophobicContact CG-CB 4.31Å
427	V	88.9	Confident	86.7	Confident	48 Å²	48	55.6 Å²	55.6	29%	0.291	30%	0.298	S	S	.	.	H	α-helix	trans	-59.9	-49.8	177	165.7	0	0	0	0	111.4	V423 A431 F454 F457	V423-V427 HydrophobicContact CG1-CG2 4.17Å; V423-V427 WeakPolarHBondContact O-CB 3.49Å; V423-V427 WeakPolarHBondContact O-CG2 3.46Å; V423-V427 PolarHBondContact O-N 3.49Å; V427-A431 VanDerWaalsContact O-CB 3.32Å; V427-A431 WeakPolarHBondContact O-CB 3.35Å; V427-A431 PolarHBondContact O-N 2.95Å; V427-F454 HydrophobicContact CB-CE1 4.43Å; V427-F454 HydrophobicContact CG1-CE1 4.01Å; V427-F454 HydrophobicContact CG2-CD1 3.98Å; V427-F454 HydrophobicContact CG2-CE1 4.16Å; V427-F457 HydrophobicContact CG2-CD2 4.4Å
428	L	88.5	Confident	86.2	Confident	95 Å²	95	54.5 Å²	54.5	50%	0.497	29%	0.29	S	S	.	.	H	α-helix	trans	-66.1	-43.5	-180	-72.7	173.9	0	0	0	111.8	I424 I425 A431 I432	I424-L428 HydrophobicContact CG2-CD1 3.68Å; I424-L428 HydrophobicContact CG2-CG 4.32Å; I424-L428 VanDerWaalsContact O-CB 3.31Å; I424-L428 WeakPolarHBondContact O-CB 3.24Å; I424-L428 VanDerWaalsContact O-CG 3.24Å; I424-L428 WeakPolarHBondContact O-CG 3.24Å; I424-L428 PolarHBondContact O-N 2.86Å; I425-L428 PolarHBondContact O-N 3.13Å; L428-A431 PolarHBondContact O-N 3.15Å; L428-I432 HydrophobicContact CB-CD1 4.47Å; L428-I432 VanDerWaalsContact O-CB 3.29Å; L428-I432 WeakPolarHBondContact O-CB 3.42Å; L428-I432 WeakPolarHBondContact O-CD1 3.37Å; L428-I432 WeakPolarHBondContact O-CG1 3.42Å; L428-I432 PolarHBondContact O-N 3.13Å
429	Y	85.4	Confident	85.7	Confident	107 Å²	107	59.9 Å²	59.9	42%	0.42	31%	0.312	S	S	.	.	H	α-helix	trans	-60.3	-49.3	178	-173.1	-74.8	0	0	0	110.8	I425 L426 A431 I432 N433 Q915	I425-Y429 VanDerWaalsContact O-CB 3.22Å; I425-Y429 WeakPolarHBondContact O-CB 3.26Å; I425-Y429 PolarHBondContact O-N 3.21Å; L426-Y429 PolarHBondContact O-N 3.43Å; Y429-A431 PolarHBondContact O-N 3.42Å; Y429-I432 PolarHBondContact O-N 2.91Å; Y429-N433 HydrophobicContact CE1-CB 4.43Å; Y429-N433 WeakPolarHBondContact O-CB 3.41Å; Y429-N433 PolarHBondContact O-N 3.31Å; Y429-Q915 HydrophobicContact CD1-CG 3.89Å; Y429-Q915 HydrophobicContact CE1-CG 3.69Å
430	F	83.7	Confident	84.9	Confident	10 Å²	10	63 Å²	63	4%	0.044	32%	0.322	C	S	.	.	H	α-helix	trans	-60	-46.1	178.8	179.8	-95.3	0	0	0	112	L426 N434 Y450 Y453 F454 F457	L426-F430 VanDerWaalsContact O-CB 3.31Å; L426-F430 WeakPolarHBondContact O-CB 3.42Å; L426-F430 PolarHBondContact O-N 3.13Å; F430-N434 WeakPolarHBondContact CD2-ND2 3.22Å; F430-N434 WeakPolarHBondContact CE2-ND2 3.4Å; F430-N434 WeakPolarHBondContact O-CB 3.41Å; F430-N434 PolarHBondContact O-N 3.19Å; F430-N434 VanDerWaalsContact O-N 3.11Å; F430-N434 PolarHBondContact O-ND2 3.5Å; F430-Y450 HydrophobicContact CE1-CD1 4.28Å; F430-Y450 HydrophobicContact CZ-CD1 4Å; F430-Y453 HydrophobicContact CE2-CD1 4.15Å; F430-Y453 HydrophobicContact CE2-CD2 4.05Å; F430-Y453 AromaticContact CE2-CG 3.85Å; F430-Y453 HydrophobicContact CE2-CG 3.85Å; F430-Y453 HydrophobicContact CZ-CD2 4.09Å; F430-Y453 HydrophobicContact CZ-CG 4.12Å; F430-F454 HydrophobicContact CD1-CE1 4.42Å; F430-F454 HydrophobicContact CD1-CZ 4.31Å; F430-F457 HydrophobicContact CB-CE2 3.56Å; F430-F457 HydrophobicContact CB-CZ 3.82Å; F430-F457 HydrophobicContact CD1-CE2 4.32Å; F430-F457 HydrophobicContact CD2-CE2 4.08Å; F430-F457 AromaticContact CD2-CZ 3.9Å; F430-F457 HydrophobicContact CD2-CZ 3.9Å; F430-F457 AromaticContact CG-CE2 3.73Å; F430-F457 HydrophobicContact CG-CE2 3.73Å; F430-F457 AromaticContact CG-CZ 3.99Å; F430-F457 HydrophobicContact CG-CZ 3.99Å
431	A	85.2	Confident	84.1	Confident	29 Å²	29	65.4 Å²	65.4	24%	0.24	33%	0.334	C	S	.	.	H	α-helix	trans	-67.4	-43.1	-179.5	0	0	0	0	0	112.6	V427 L428 Y429 F435	V427-A431 VanDerWaalsContact O-CB 3.32Å; V427-A431 WeakPolarHBondContact O-CB 3.35Å; V427-A431 PolarHBondContact O-N 2.95Å; L428-A431 PolarHBondContact O-N 3.15Å; Y429-A431 PolarHBondContact O-N 3.42Å; A431-F435 HydrophobicContact CB-CD2 4.16Å; A431-F435 WeakPolarHBondContact O-CB 3.43Å; A431-F435 WeakPolarHBondContact O-CD2 3.35Å; A431-F435 PolarHBondContact O-N 3.25Å
432	I	85.8	Confident	83.5	Confident	85 Å²	85	69.1 Å²	69.1	44%	0.436	34%	0.344	S	S	.	.	I	π-helix	trans	-65.5	-45.8	178.2	-69.2	166.5	0	0	0	110.4	L428 Y429 V436 L437	L428-I432 HydrophobicContact CB-CD1 4.47Å; L428-I432 VanDerWaalsContact O-CB 3.29Å; L428-I432 WeakPolarHBondContact O-CB 3.42Å; L428-I432 WeakPolarHBondContact O-CD1 3.37Å; L428-I432 WeakPolarHBondContact O-CG1 3.42Å; L428-I432 PolarHBondContact O-N 3.13Å; Y429-I432 PolarHBondContact O-N 2.91Å; I432-V436 HydrophobicContact CG2-CB 4.48Å; I432-V436 WeakPolarHBondContact O-CA 3.41Å; I432-V436 VanDerWaalsContact O-CB 3.28Å; I432-V436 WeakPolarHBondContact O-CB 3.18Å; I432-V436 PolarHBondContact O-N 3.11Å; I432-V436 VanDerWaalsContact O-N 3.08Å; I432-L437 HydrophobicContact CG2-CD1 4.44Å; I432-L437 HydrophobicContact CG2-CG 4.32Å; I432-L437 PolarHBondContact O-N 2.75Å
433	N	82.5	Confident	83	Confident	42 Å²	42	72.3 Å²	72.3	23%	0.225	36%	0.36	C	S	.	.	I	π-helix	trans	-64.8	-52.1	-177.7	-167.4	69.3	0	0	0	111.8	Y429 E438	Y429-N433 HydrophobicContact CE1-CB 4.43Å; Y429-N433 WeakPolarHBondContact O-CB 3.41Å; Y429-N433 PolarHBondContact O-N 3.31Å; N433-E438 PolarHBondContact ND2-OE1 2.87Å; N433-E438 WeakPolarHBondContact O-CB 3.26Å; N433-E438 WeakPolarHBondContact O-CG 3.45Å; N433-E438 PolarHBondContact O-N 2.96Å
434	N	80.7	Confident	82.1	Confident	18 Å²	18	76.3 Å²	76.3	10%	0.096	39%	0.385	C	S	.	.	I	π-helix	trans	-73	-46.8	-175.6	-71	-86	0	0	0	113.5	F430 K439 R440	F430-N434 WeakPolarHBondContact CD2-ND2 3.22Å; F430-N434 WeakPolarHBondContact CE2-ND2 3.4Å; F430-N434 WeakPolarHBondContact O-CB 3.41Å; F430-N434 PolarHBondContact O-N 3.19Å; F430-N434 VanDerWaalsContact O-N 3.11Å; F430-N434 PolarHBondContact O-ND2 3.5Å; N434-K439 PolarHBondContact O-N 2.87Å; N434-R440 PolarHBondContact O-N 3.39Å; N434-R440 VanDerWaalsContact O-N 3.07Å
435	F	83.5	Confident	81.2	Confident	50 Å²	50	78.9 Å²	78.9	22%	0.219	39%	0.394	C	S	.	.	I	π-helix	trans	-95	-24.4	-170.1	-53.1	-58.4	0	0	0	113.7	A431 W442 Y450	A431-F435 HydrophobicContact CB-CD2 4.16Å; A431-F435 WeakPolarHBondContact O-CB 3.43Å; A431-F435 WeakPolarHBondContact O-CD2 3.35Å; A431-F435 PolarHBondContact O-N 3.25Å; F435-W442 HydrophobicContact CD1-CE3 4.5Å; F435-W442 AromaticContact CE1-CE3 3.77Å; F435-W442 HydrophobicContact CE1-CE3 3.77Å; F435-W442 HydrophobicContact CE1-CZ3 4.3Å; F435-W442 AromaticContact CE2-CE3 3.95Å; F435-W442 HydrophobicContact CE2-CE3 3.95Å; F435-W442 AromaticContact CE2-CZ3 3.71Å; F435-W442 HydrophobicContact CE2-CZ3 3.71Å; F435-W442 HydrophobicContact CZ-CD2 4.45Å; F435-W442 AromaticContact CZ-CE3 3.45Å; F435-W442 HydrophobicContact CZ-CE3 3.45Å; F435-W442 VanDerWaalsContact CZ-CE3 3.45Å; F435-W442 AromaticContact CZ-CZ3 3.51Å; F435-W442 HydrophobicContact CZ-CZ3 3.51Å; F435-Y450 HydrophobicContact CE1-CE2 4.28Å; F435-Y450 HydrophobicContact CZ-CD2 4.35Å; F435-Y450 HydrophobicContact CZ-CE2 4.31Å; F435-Y450 HydrophobicContact CZ-CG 4.49Å
436	V	82.3	Confident	80.2	Confident	94 Å²	94	76.3 Å²	76.3	57%	0.57	38%	0.382	S	S	*	.	I	π-helix	trans	-105.5	-47.7	-176.5	-172.5	0	0	0	0	112.5	I432 K439	I432-V436 HydrophobicContact CG2-CB 4.48Å; I432-V436 WeakPolarHBondContact O-CA 3.41Å; I432-V436 VanDerWaalsContact O-CB 3.28Å; I432-V436 WeakPolarHBondContact O-CB 3.18Å; I432-V436 PolarHBondContact O-N 3.11Å; I432-V436 VanDerWaalsContact O-N 3.08Å; V436-K439 WeakPolarHBondContact O-CG 3.32Å
437	L	82.1	Confident	79.8	Confident	118 Å²	118	77.9 Å²	77.9	62%	0.618	39%	0.392	S	S	*	.	I	π-helix	trans	-79.9	-54.4	179.9	-63.6	178.5	0	0	0	111.7	I432 K439	I432-L437 HydrophobicContact CG2-CD1 4.44Å; I432-L437 HydrophobicContact CG2-CG 4.32Å; I432-L437 PolarHBondContact O-N 2.75Å; L437-K439 VanDerWaalsContact C-N 3.29Å; L437-K439 PolarHBondContact O-N 3.35Å
438	E	78.9	Confident	79	Confident	87 Å²	87	77.2 Å²	77.2	41%	0.407	39%	0.388	S	S	.	.	S	Bend	trans	-79.5	-10.9	178.4	-65.6	179.2	-153.4	0	0	113.3	N433 R440	N433-E438 PolarHBondContact ND2-OE1 2.87Å; N433-E438 WeakPolarHBondContact O-CB 3.26Å; N433-E438 WeakPolarHBondContact O-CG 3.45Å; N433-E438 PolarHBondContact O-N 2.96Å; E438-R440 HydrophobicContact CB-CG 4.13Å; E438-R440 PolarHBondContact O-N 2.65Å; E438-R440 IonicContact OE2-CZ 3.15Å; E438-R440 IonicContact OE2-NE 2.77Å; E438-R440 PolarHBondContact OE2-NE 2.95Å; E438-R440 IonicContact OE2-NH2 2.71Å; E438-R440 PolarHBondContact OE2-NH2 3.22Å
439	K	77.1	Confident	78.4	Confident	166 Å²	166	76 Å²	76	72%	0.722	38%	0.382	S	S	*	.			trans	53.6	32.4	175.9	-57.9	-176.3	-178.2	178.8	0	114.6	N434 V436 L437	N434-K439 PolarHBondContact O-N 2.87Å; V436-K439 WeakPolarHBondContact O-CG 3.32Å; L437-K439 VanDerWaalsContact C-N 3.29Å; L437-K439 PolarHBondContact O-N 3.35Å
440	R	72.2	Confident	78.1	Confident	77 Å²	77	71.6 Å²	71.6	29%	0.291	36%	0.364	S	S	.	.			trans	-68.1	129.4	178.1	-58.6	-173.2	-172	-142.2	7.6	109.9	A137 N434 E438	A137-R440 PolarHBondContact O-NH1 2.86Å; A137-R440 PolarHBondContact O-NH2 3.28Å; A137-R440 VanDerWaalsContact O-NH2 3.11Å; N434-R440 PolarHBondContact O-N 3.39Å; N434-R440 VanDerWaalsContact O-N 3.07Å; E438-R440 HydrophobicContact CB-CG 4.13Å; E438-R440 PolarHBondContact O-N 2.65Å; E438-R440 IonicContact OE2-CZ 3.15Å; E438-R440 IonicContact OE2-NE 2.77Å; E438-R440 PolarHBondContact OE2-NE 2.95Å; E438-R440 IonicContact OE2-NH2 2.71Å; E438-R440 PolarHBondContact OE2-NH2 3.22Å
441	P	73.4	Confident	78	Confident	95 Å²	95	74.8 Å²	74.8	62%	0.617	38%	0.381	S	S	*	.			trans	-69.9	145.7	174.3	29.2	-33.9	0	0	0	110.9	M443	P441-M443 PolarHBondContact O-N 2.95Å
442	W	78.3	Confident	77.4	Confident	138 Å²	138	75.5 Å²	75.5	52%	0.523	38%	0.38	S	S	.	.			trans	-73.1	99.1	175.3	-169	-65.8	0	0	0	110.2	F435 T447 Y450 F454	F435-W442 HydrophobicContact CD1-CE3 4.5Å; F435-W442 AromaticContact CE1-CE3 3.77Å; F435-W442 HydrophobicContact CE1-CE3 3.77Å; F435-W442 HydrophobicContact CE1-CZ3 4.3Å; F435-W442 AromaticContact CE2-CE3 3.95Å; F435-W442 HydrophobicContact CE2-CE3 3.95Å; F435-W442 AromaticContact CE2-CZ3 3.71Å; F435-W442 HydrophobicContact CE2-CZ3 3.71Å; F435-W442 HydrophobicContact CZ-CD2 4.45Å; F435-W442 AromaticContact CZ-CE3 3.45Å; F435-W442 HydrophobicContact CZ-CE3 3.45Å; F435-W442 VanDerWaalsContact CZ-CE3 3.45Å; F435-W442 AromaticContact CZ-CZ3 3.51Å; F435-W442 HydrophobicContact CZ-CZ3 3.51Å; W442-T447 HydrophobicContact CZ2-CG2 4.26Å; W442-T447 PolarHBondContact NE1-OG1 3.27Å; W442-Y450 HydrophobicContact CD2-CD2 4.41Å; W442-Y450 HydrophobicContact CH2-CD2 4.44Å; W442-Y450 HydrophobicContact CZ2-CD2 4.19Å; W442-F454 HydrophobicContact CH2-CE2 4.45Å
443	M	76.4	Confident	77.1	Confident	68 Å²	68	73.6 Å²	73.6	34%	0.335	37%	0.367	S	S	.	.			trans	-86.2	129.8	175.9	-60.3	-168.2	-66.5	0	0	110.4	P441 E445 C446	P441-M443 PolarHBondContact O-N 2.95Å; M443-E445 VanDerWaalsContact C-N 3.26Å; M443-E445 PolarHBondContact O-N 3.34Å; M443-C446 HydrophobicContact CB-CB 4.43Å; M443-C446 PolarHBondContact O-N 2.98Å; M443-C446 VanDerWaalsContact O-N 3.1Å
444	T	71.6	Confident	77.1	Confident	115 Å²	115	74.7 Å²	74.7	71%	0.706	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-58.1	-37.9	-178.9	38.7	0	0	0	0	112.5	C446 T447	T444-C446 VanDerWaalsContact C-N 3.28Å; T444-C446 PolarHBondContact O-N 3.07Å; T444-T447 WeakPolarHBondContact CA-OG1 3.33Å; T444-T447 VanDerWaalsContact O-CB 3.28Å; T444-T447 WeakPolarHBondContact O-CB 3.4Å; T444-T447 PolarHBondContact O-N 3.11Å; T444-T447 PolarHBondContact O-OG1 3.33Å
445	E	71.6	Confident	77.1	Confident	151 Å²	151	75 Å²	75	71%	0.706	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-63.7	-28.8	178.1	-64.8	168.5	-164.9	0	0	113.3	M443	M443-E445 VanDerWaalsContact C-N 3.26Å; M443-E445 PolarHBondContact O-N 3.34Å
446	C	70	Confident	76.8	Confident	6 Å²	6	74.1 Å²	74.1	4%	0.041	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-87	-7.3	178.2	-69.3	0	0	0	0	114	C135 M443 T444 P448 I449 Y450	C135-C446 PolarHBondContact SG-SG 3.28Å; M443-C446 HydrophobicContact CB-CB 4.43Å; M443-C446 PolarHBondContact O-N 2.98Å; M443-C446 VanDerWaalsContact O-N 3.1Å; T444-C446 VanDerWaalsContact C-N 3.28Å; T444-C446 PolarHBondContact O-N 3.07Å; C446-P448 VanDerWaalsContact C-CD 3.42Å; C446-I449 PolarHBondContact O-N 2.93Å; C446-I449 VanDerWaalsContact O-N 3.08Å; C446-Y450 HydrophobicContact CB-CD2 4.39Å; C446-Y450 HydrophobicContact CB-CE2 3.71Å; C446-Y450 PolarHBondContact O-N 2.93Å
447	T	77.3	Confident	76.9	Confident	37 Å²	37	69.8 Å²	69.8	23%	0.227	34%	0.342	C	S	.	.	H	α-helix	trans	-53	-41.4	-174.4	-51.4	0	0	0	0	114.1	W442 T444 I449 Y450 I451	W442-T447 HydrophobicContact CZ2-CG2 4.26Å; W442-T447 PolarHBondContact NE1-OG1 3.27Å; T444-T447 WeakPolarHBondContact CA-OG1 3.33Å; T444-T447 VanDerWaalsContact O-CB 3.28Å; T444-T447 WeakPolarHBondContact O-CB 3.4Å; T444-T447 PolarHBondContact O-N 3.11Å; T444-T447 PolarHBondContact O-OG1 3.33Å; T447-I449 VanDerWaalsContact C-N 3.3Å; T447-I449 PolarHBondContact O-N 3.33Å; T447-Y450 PolarHBondContact O-N 3.16Å; T447-I451 HydrophobicContact CG2-CD1 3.89Å; T447-I451 HydrophobicContact CG2-CG1 4.38Å; T447-I451 WeakPolarHBondContact O-CG1 3.32Å; T447-I451 PolarHBondContact O-N 3.3Å
448	P	72.9	Confident	77	Confident	34 Å²	34	69 Å²	69	22%	0.221	33%	0.334	C	S	.	.	H	α-helix	trans	-59.5	-37.5	178.1	-25.1	35.8	0	0	0	113.6	Y124 C446 I451 Q452	Y124-P448 HydrophobicContact CD1-CB 4.36Å; Y124-P448 HydrophobicContact CE1-CB 4.38Å; Y124-P448 HydrophobicContact CE1-CG 4.04Å; C446-P448 VanDerWaalsContact C-CD 3.42Å; P448-I451 PolarHBondContact O-N 2.77Å; P448-Q452 PolarHBondContact O-N 3.38Å
449	I	74.6	Confident	77.1	Confident	70 Å²	70	65.4 Å²	65.4	36%	0.359	32%	0.317	S	S	.	.	H	α-helix	trans	-67.9	-43.2	-179.9	-58.4	172.4	0	0	0	110.1	C446 T447 I451 Q452 Y453	C446-I449 PolarHBondContact O-N 2.93Å; C446-I449 VanDerWaalsContact O-N 3.08Å; T447-I449 VanDerWaalsContact C-N 3.3Å; T447-I449 PolarHBondContact O-N 3.33Å; I449-I451 VanDerWaalsContact C-N 3.34Å; I449-I451 PolarHBondContact O-N 2.83Å; I449-Q452 WeakPolarHBondContact O-CB 3.39Å; I449-Q452 PolarHBondContact O-N 2.88Å; I449-Y453 HydrophobicContact CG2-CD2 4.21Å; I449-Y453 HydrophobicContact CG2-CE2 4.05Å; I449-Y453 WeakPolarHBondContact O-CD2 3.39Å; I449-Y453 PolarHBondContact O-N 2.83Å; I449-Y453 VanDerWaalsContact O-N 3.12Å
450	Y	80.4	Confident	77.3	Confident	14 Å²	14	58.1 Å²	58.1	6%	0.055	29%	0.286	C	S	.	.	H	α-helix	trans	-63.5	-39.9	175.8	-57.2	-37.7	0	0	0	111.9	F430 F435 W442 C446 T447 Q452 Y453 F454	F430-Y450 HydrophobicContact CE1-CD1 4.28Å; F430-Y450 HydrophobicContact CZ-CD1 4Å; F435-Y450 HydrophobicContact CE1-CE2 4.28Å; F435-Y450 HydrophobicContact CZ-CD2 4.35Å; F435-Y450 HydrophobicContact CZ-CE2 4.31Å; F435-Y450 HydrophobicContact CZ-CG 4.49Å; W442-Y450 HydrophobicContact CD2-CD2 4.41Å; W442-Y450 HydrophobicContact CH2-CD2 4.44Å; W442-Y450 HydrophobicContact CZ2-CD2 4.19Å; C446-Y450 HydrophobicContact CB-CD2 4.39Å; C446-Y450 HydrophobicContact CB-CE2 3.71Å; C446-Y450 PolarHBondContact O-N 2.93Å; T447-Y450 PolarHBondContact O-N 3.16Å; Y450-Q452 VanDerWaalsContact C-N 3.32Å; Y450-Q452 PolarHBondContact O-N 2.98Å; Y450-Y453 PolarHBondContact O-N 2.77Å; Y450-F454 WeakPolarHBondContact O-CD2 3.08Å; Y450-F454 PolarHBondContact O-N 3.47Å; Y450-F454 VanDerWaalsContact O-N 3.09Å
451	I	80.3	Confident	77.8	Confident	77 Å²	77	54.5 Å²	54.5	40%	0.395	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-41.1	173.1	-68.3	169.1	0	0	0	111	L121 T447 P448 I449 Y453 F454 V455	L121-I451 HydrophobicContact CD1-CG2 4.14Å; L121-I451 HydrophobicContact CD2-CG2 4.46Å; T447-I451 HydrophobicContact CG2-CD1 3.89Å; T447-I451 HydrophobicContact CG2-CG1 4.38Å; T447-I451 WeakPolarHBondContact O-CG1 3.32Å; T447-I451 PolarHBondContact O-N 3.3Å; P448-I451 PolarHBondContact O-N 2.77Å; I449-I451 VanDerWaalsContact C-N 3.34Å; I449-I451 PolarHBondContact O-N 2.83Å; I451-Y453 VanDerWaalsContact C-N 3.35Å; I451-Y453 PolarHBondContact O-N 3.31Å; I451-F454 PolarHBondContact O-N 2.84Å; I451-F454 VanDerWaalsContact O-N 3.14Å; I451-V455 HydrophobicContact CG2-CG2 4.43Å; I451-V455 WeakPolarHBondContact O-CG2 2.78Å; I451-V455 PolarHBondContact O-N 3.04Å
452	Q	74.6	Confident	78.3	Confident	44 Å²	44	50.4 Å²	50.4	21%	0.206	25%	0.246	C	C	.	.	H	α-helix	trans	-61.4	-40	177.7	-159	176.5	18.2	0	0	112.3	P448 I449 Y450 V455 K456 L1001 H1002	P448-Q452 PolarHBondContact O-N 3.38Å; I449-Q452 WeakPolarHBondContact O-CB 3.39Å; I449-Q452 PolarHBondContact O-N 2.88Å; Y450-Q452 VanDerWaalsContact C-N 3.32Å; Y450-Q452 PolarHBondContact O-N 2.98Å; Q452-V455 PolarHBondContact O-N 3.35Å; Q452-K456 PolarHBondContact O-N 3.34Å; Q452-L1001 HydrophobicContact CB-CD2 4.4Å; Q452-L1001 HydrophobicContact CG-CD2 3.94Å; Q452-H1002 PolarHBondContact NE2-NE2 2.69Å
453	Y	78.6	Confident	78.3	Confident	44 Å²	44	44.6 Å²	44.6	17%	0.173	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-42.1	171.6	-83.2	-76.7	0	0	0	112.6	F430 I449 Y450 I451 V455 K456 F457 L1001	F430-Y453 HydrophobicContact CE2-CD1 4.15Å; F430-Y453 HydrophobicContact CE2-CD2 4.05Å; F430-Y453 AromaticContact CE2-CG 3.85Å; F430-Y453 HydrophobicContact CE2-CG 3.85Å; F430-Y453 HydrophobicContact CZ-CD2 4.09Å; F430-Y453 HydrophobicContact CZ-CG 4.12Å; I449-Y453 HydrophobicContact CG2-CD2 4.21Å; I449-Y453 HydrophobicContact CG2-CE2 4.05Å; I449-Y453 WeakPolarHBondContact O-CD2 3.39Å; I449-Y453 PolarHBondContact O-N 2.83Å; I449-Y453 VanDerWaalsContact O-N 3.12Å; Y450-Y453 PolarHBondContact O-N 2.77Å; I451-Y453 VanDerWaalsContact C-N 3.35Å; I451-Y453 PolarHBondContact O-N 3.31Å; Y453-V455 PolarHBondContact O-N 3.07Å; Y453-K456 WeakPolarHBondContact O-CB 3.18Å; Y453-K456 PolarHBondContact O-N 3.47Å; Y453-F457 HydrophobicContact CD1-CZ 4.26Å; Y453-F457 VanDerWaalsContact O-CD2 3.24Å; Y453-F457 WeakPolarHBondContact O-CD2 3.2Å; Y453-F457 VanDerWaalsContact O-CG 3.25Å; Y453-F457 WeakPolarHBondContact O-CG 3.36Å; Y453-F457 PolarHBondContact O-N 3.31Å; Y453-L1001 HydrophobicContact CE1-CB 4.44Å; Y453-L1001 HydrophobicContact CE2-CD2 4.32Å
454	F	83.4	Confident	78.7	Confident	66 Å²	66	41.5 Å²	41.5	29%	0.289	21%	0.211	S	C	.	.	H	α-helix	trans	-62.9	-39.9	175.6	-71	-54.7	0	0	0	112.7	V427 F430 W442 Y450 I451 F457 F458	V427-F454 HydrophobicContact CB-CE1 4.43Å; V427-F454 HydrophobicContact CG1-CE1 4.01Å; V427-F454 HydrophobicContact CG2-CD1 3.98Å; V427-F454 HydrophobicContact CG2-CE1 4.16Å; F430-F454 HydrophobicContact CD1-CE1 4.42Å; F430-F454 HydrophobicContact CD1-CZ 4.31Å; W442-F454 HydrophobicContact CH2-CE2 4.45Å; Y450-F454 WeakPolarHBondContact O-CD2 3.08Å; Y450-F454 PolarHBondContact O-N 3.47Å; Y450-F454 VanDerWaalsContact O-N 3.09Å; I451-F454 PolarHBondContact O-N 2.84Å; I451-F454 VanDerWaalsContact O-N 3.14Å; F454-F457 HydrophobicContact CD1-CD2 4.24Å; F454-F457 PolarHBondContact O-N 3.21Å; F454-F458 PolarHBondContact O-N 3.06Å
455	V	79.7	Confident	79.3	Confident	24 Å²	24	37.3 Å²	37.3	15%	0.145	18%	0.184	C	C	.	.	H	α-helix	trans	-64.3	-41.8	173.6	170.3	0	0	0	0	111.1	I117 L121 I451 Q452 Y453 F457 F458 I459	I117-V455 HydrophobicContact CG2-CG1 4.1Å; I117-V455 HydrophobicContact CG2-CG2 3.87Å; L121-V455 HydrophobicContact CD1-CB 4.19Å; L121-V455 HydrophobicContact CD1-CG1 4.41Å; L121-V455 HydrophobicContact CD1-CG2 3.73Å; I451-V455 HydrophobicContact CG2-CG2 4.43Å; I451-V455 WeakPolarHBondContact O-CG2 2.78Å; I451-V455 PolarHBondContact O-N 3.04Å; Q452-V455 PolarHBondContact O-N 3.35Å; Y453-V455 PolarHBondContact O-N 3.07Å; V455-F457 PolarHBondContact O-N 2.65Å; V455-F458 PolarHBondContact O-N 3.01Å; V455-I459 HydrophobicContact CG1-CD1 3.8Å; V455-I459 HydrophobicContact CG1-CG1 4.43Å; V455-I459 WeakPolarHBondContact O-CG1 3.45Å; V455-I459 PolarHBondContact O-N 3.38Å
456	K	77.3	Confident	79.7	Confident	31 Å²	31	30.4 Å²	30.4	14%	0.135	15%	0.152	C	C	.	.	H	α-helix	trans	-59	-45.4	173.2	-177.5	178.3	176.7	-174.8	0	112.1	Q452 Y453 F458 I459 I460 D916 L1001	Q452-K456 PolarHBondContact O-N 3.34Å; Y453-K456 WeakPolarHBondContact O-CB 3.18Å; Y453-K456 PolarHBondContact O-N 3.47Å; K456-F458 VanDerWaalsContact C-N 3.32Å; K456-F458 PolarHBondContact O-N 3.18Å; K456-I459 PolarHBondContact O-N 2.86Å; K456-I460 HydrophobicContact CG-CD1 4.25Å; K456-I460 WeakPolarHBondContact O-CG1 3.16Å; K456-I460 PolarHBondContact O-N 3.13Å; K456-D916 VanDerWaalsContact CE-OD2 3.28Å; K456-D916 WeakPolarHBondContact CE-OD2 3.33Å; K456-D916 IonicContact NZ-OD2 3.25Å; K456-D916 PolarHBondContact NZ-OD2 3.34Å; K456-L1001 HydrophobicContact CD-CD1 3.68Å
457	F	85.3	Confident	80.2	Confident	4 Å²	4	30.3 Å²	30.3	2%	0.018	15%	0.151	C	C	.	.	H	α-helix	trans	-64.2	-37.4	177	-57.7	-34.1	0	0	0	112.3	L426 V427 F430 Y453 F454 V455 I460 G461	L426-F457 HydrophobicContact CB-CB 3.99Å; L426-F457 HydrophobicContact CB-CD1 3.76Å; L426-F457 HydrophobicContact CB-CD2 4.16Å; L426-F457 HydrophobicContact CB-CE1 4.26Å; L426-F457 HydrophobicContact CB-CG 3.71Å; L426-F457 HydrophobicContact CD1-CB 4.09Å; L426-F457 HydrophobicContact CD1-CD1 3.89Å; L426-F457 HydrophobicContact CD1-CG 4.26Å; L426-F457 HydrophobicContact CD2-CD1 4.11Å; L426-F457 HydrophobicContact CD2-CE1 4.2Å; L426-F457 HydrophobicContact CG-CD1 4.15Å; L426-F457 HydrophobicContact CG-CG 4.5Å; V427-F457 HydrophobicContact CG2-CD2 4.4Å; F430-F457 HydrophobicContact CB-CE2 3.56Å; F430-F457 HydrophobicContact CB-CZ 3.82Å; F430-F457 HydrophobicContact CD1-CE2 4.32Å; F430-F457 HydrophobicContact CD2-CE2 4.08Å; F430-F457 AromaticContact CD2-CZ 3.9Å; F430-F457 HydrophobicContact CD2-CZ 3.9Å; F430-F457 AromaticContact CG-CE2 3.73Å; F430-F457 HydrophobicContact CG-CE2 3.73Å; F430-F457 AromaticContact CG-CZ 3.99Å; F430-F457 HydrophobicContact CG-CZ 3.99Å; Y453-F457 HydrophobicContact CD1-CZ 4.26Å; Y453-F457 VanDerWaalsContact O-CD2 3.24Å; Y453-F457 WeakPolarHBondContact O-CD2 3.2Å; Y453-F457 VanDerWaalsContact O-CG 3.25Å; Y453-F457 WeakPolarHBondContact O-CG 3.36Å; Y453-F457 PolarHBondContact O-N 3.31Å; F454-F457 HydrophobicContact CD1-CD2 4.24Å; F454-F457 PolarHBondContact O-N 3.21Å; V455-F457 PolarHBondContact O-N 2.65Å; F457-I460 PolarHBondContact O-N 3.49Å; F457-G461 PolarHBondContact O-N 3.17Å
458	F	83.9	Confident	80.5	Confident	101 Å²	101	28.8 Å²	28.8	44%	0.443	14%	0.142	S	C	.	.	H	α-helix	trans	-64.3	-44.6	173.5	-174.7	-102.4	0	0	0	112	I110 A114 F454 V455 K456 I460 G461 V462	I110-F458 HydrophobicContact CG2-CE1 4.37Å; I110-F458 HydrophobicContact CG2-CZ 4.32Å; A114-F458 HydrophobicContact CB-CD1 4.37Å; A114-F458 HydrophobicContact CB-CE1 4.35Å; F454-F458 PolarHBondContact O-N 3.06Å; V455-F458 PolarHBondContact O-N 3.01Å; K456-F458 VanDerWaalsContact C-N 3.32Å; K456-F458 PolarHBondContact O-N 3.18Å; F458-I460 VanDerWaalsContact C-N 3.33Å; F458-I460 PolarHBondContact O-N 3.14Å; F458-G461 CarbonylContact O-C 3.57Å; F458-G461 WeakPolarHBondContact O-CA 3.25Å; F458-G461 PolarHBondContact O-N 3.17Å; F458-V462 HydrophobicContact CD1-CG2 4.05Å; F458-V462 HydrophobicContact CE1-CG2 3.66Å; F458-V462 HydrophobicContact CE2-CG2 4.47Å; F458-V462 HydrophobicContact CZ-CG2 3.9Å; F458-V462 WeakPolarHBondContact O-CG2 3.36Å; F458-V462 PolarHBondContact O-N 2.97Å
459	I	79.6	Confident	80.9	Confident	11 Å²	11	28.8 Å²	28.8	6%	0.056	14%	0.142	C	C	.	.	H	α-helix	trans	-60.3	-40.8	175.3	-69.7	163.8	0	0	0	111.4	A114 I158 V455 K456 G461 V462 T463 A921	A114-I459 HydrophobicContact CB-CG1 3.96Å; I158-I459 HydrophobicContact CD1-CG2 4.45Å; V455-I459 HydrophobicContact CG1-CD1 3.8Å; V455-I459 HydrophobicContact CG1-CG1 4.43Å; V455-I459 WeakPolarHBondContact O-CG1 3.45Å; V455-I459 PolarHBondContact O-N 3.38Å; K456-I459 PolarHBondContact O-N 2.86Å; I459-G461 VanDerWaalsContact C-N 3.33Å; I459-G461 PolarHBondContact O-N 3.08Å; I459-V462 PolarHBondContact O-N 3Å; I459-T463 WeakPolarHBondContact O-CB 3.37Å; I459-T463 PolarHBondContact O-N 2.97Å; I459-T463 PolarHBondContact O-OG1 3.41Å; I459-A921 HydrophobicContact CG2-CB 4.45Å
460	I	80.9	Confident	80.9	Confident	13 Å²	13	25.6 Å²	25.6	7%	0.067	13%	0.126	C	C	.	.	H	α-helix	trans	-60.7	-44	172.9	-68	166.2	0	0	0	110.2	T422 L426 K456 F457 F458 T463 V464 A911	T422-I460 HydrophobicContact CG2-CG2 4.36Å; L426-I460 HydrophobicContact CD1-CB 4.3Å; L426-I460 HydrophobicContact CD1-CD1 4.3Å; L426-I460 HydrophobicContact CD1-CG2 4.02Å; K456-I460 HydrophobicContact CG-CD1 4.25Å; K456-I460 WeakPolarHBondContact O-CG1 3.16Å; K456-I460 PolarHBondContact O-N 3.13Å; F457-I460 PolarHBondContact O-N 3.49Å; F458-I460 VanDerWaalsContact C-N 3.33Å; F458-I460 PolarHBondContact O-N 3.14Å; I460-T463 PolarHBondContact O-N 3.38Å; I460-V464 WeakPolarHBondContact O-CG2 3.36Å; I460-V464 PolarHBondContact O-N 2.94Å; I460-A911 HydrophobicContact CG2-CB 4.41Å
461	G	84.6	Confident	80.6	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-57.9	-49	173.9	0	0	0	0	0	113.7	S419 F457 F458 I459 T463 V464 L465	S419-G461 WeakPolarHBondContact CB-O 3.02Å; S419-G461 VanDerWaalsContact OG-C 3.25Å; S419-G461 PolarHBondContact OG-O 3.16Å; F457-G461 PolarHBondContact O-N 3.17Å; F458-G461 CarbonylContact O-C 3.57Å; F458-G461 WeakPolarHBondContact O-CA 3.25Å; F458-G461 PolarHBondContact O-N 3.17Å; I459-G461 VanDerWaalsContact C-N 3.33Å; I459-G461 PolarHBondContact O-N 3.08Å; G461-T463 VanDerWaalsContact C-N 3.33Å; G461-T463 PolarHBondContact O-N 3.06Å; G461-V464 PolarHBondContact O-N 2.93Å; G461-L465 PolarHBondContact O-N 3.15Å
462	V	83	Confident	80	Confident	9 Å²	9	24.1 Å²	24.1	6%	0.055	12%	0.118	C	C	.	.	H	α-helix	trans	-63.2	-40.6	176.9	176.4	0	0	0	0	110.7	I110 L111 F458 I459 V464 L465 V466	I110-V462 HydrophobicContact CG2-CG1 4.03Å; I110-V462 HydrophobicContact CG2-CG2 3.67Å; L111-V462 HydrophobicContact CB-CG1 4.16Å; L111-V462 HydrophobicContact CD1-CG1 4.03Å; F458-V462 HydrophobicContact CD1-CG2 4.05Å; F458-V462 HydrophobicContact CE1-CG2 3.66Å; F458-V462 HydrophobicContact CE2-CG2 4.47Å; F458-V462 HydrophobicContact CZ-CG2 3.9Å; F458-V462 WeakPolarHBondContact O-CG2 3.36Å; F458-V462 PolarHBondContact O-N 2.97Å; I459-V462 PolarHBondContact O-N 3Å; V462-V464 PolarHBondContact O-N 2.92Å; V462-L465 WeakPolarHBondContact O-CB 3.42Å; V462-L465 PolarHBondContact O-N 3.18Å; V462-L465 VanDerWaalsContact O-N 3.07Å; V462-V466 HydrophobicContact CG1-CG2 4.28Å; V462-V466 WeakPolarHBondContact O-CG2 3.5Å; V462-V466 PolarHBondContact O-N 2.83Å
463	T	78.8	Confident	80	Confident	17 Å²	17	22.1 Å²	22.1	10%	0.104	11%	0.109	C	C	.	.	H	α-helix	trans	-61	-42.9	175.9	-56.4	0	0	0	0	111.5	I459 I460 G461 L465 V467 M924	I459-T463 WeakPolarHBondContact O-CB 3.37Å; I459-T463 PolarHBondContact O-N 2.97Å; I459-T463 PolarHBondContact O-OG1 3.41Å; I460-T463 PolarHBondContact O-N 3.38Å; G461-T463 VanDerWaalsContact C-N 3.33Å; G461-T463 PolarHBondContact O-N 3.06Å; T463-L465 VanDerWaalsContact C-N 3.3Å; T463-L465 PolarHBondContact O-N 2.84Å; T463-V467 WeakPolarHBondContact O-CB 3.34Å; T463-V467 WeakPolarHBondContact O-CG2 3.47Å; T463-V467 PolarHBondContact O-N 3.3Å; T463-V467 VanDerWaalsContact O-N 3.13Å; T463-M924 HydrophobicContact CG2-CB 3.67Å; T463-M924 HydrophobicContact CG2-CG 3.73Å
464	V	83.6	Confident	79.6	Confident	3 Å²	3	23.1 Å²	23.1	2%	0.018	12%	0.121	C	C	.	.	H	α-helix	trans	-61.6	-38.1	173.3	170.2	0	0	0	0	111.4	I460 G461 V462 A468 V904 A907	I460-V464 WeakPolarHBondContact O-CG2 3.36Å; I460-V464 PolarHBondContact O-N 2.94Å; G461-V464 PolarHBondContact O-N 2.93Å; V462-V464 PolarHBondContact O-N 2.92Å; V464-A468 WeakPolarHBondContact O-CB 3.42Å; V464-A468 PolarHBondContact O-N 3.42Å; V464-V904 HydrophobicContact CG1-CG1 4.48Å; V464-A907 HydrophobicContact CG2-CB 3.74Å
465	L	84.6	Confident	79	Confident	26 Å²	26	21 Å²	21	14%	0.136	11%	0.113	C	C	.	.	H	α-helix	trans	-67.4	-49.8	177.9	179.3	60.8	0	0	0	112.3	L416 G461 V462 T463 V467 A468 V469	L416-L465 HydrophobicContact CB-CD1 4.2Å; L416-L465 HydrophobicContact CD1-CD1 4.39Å; L416-L465 HydrophobicContact CD1-CD2 4.26Å; G461-L465 PolarHBondContact O-N 3.15Å; V462-L465 WeakPolarHBondContact O-CB 3.42Å; V462-L465 PolarHBondContact O-N 3.18Å; V462-L465 VanDerWaalsContact O-N 3.07Å; T463-L465 VanDerWaalsContact C-N 3.3Å; T463-L465 PolarHBondContact O-N 2.84Å; L465-V467 PolarHBondContact O-N 3.39Å; L465-A468 PolarHBondContact O-N 2.99Å; L465-A468 VanDerWaalsContact O-N 3.07Å; L465-V469 HydrophobicContact CD1-CG2 3.89Å; L465-V469 HydrophobicContact CG-CG2 4.49Å; L465-V469 WeakPolarHBondContact O-CG2 3.46Å; L465-V469 PolarHBondContact O-N 2.83Å
466	V	79.8	Confident	78.9	Confident	6 Å²	6	19.9 Å²	19.9	4%	0.036	11%	0.106	C	C	.	.	H	α-helix	trans	-58.6	-35.5	178.6	169.7	0	0	0	0	111.7	V462 L925 N928	V462-V466 HydrophobicContact CG1-CG2 4.28Å; V462-V466 WeakPolarHBondContact O-CG2 3.5Å; V462-V466 PolarHBondContact O-N 2.83Å; V466-L925 HydrophobicContact CG1-CD2 4.18Å; V466-N928 PolarHBondContact O-ND2 3.14Å
467	V	80.6	Confident	79	Confident	4 Å²	4	19 Å²	19	2%	0.024	10%	0.103	C	C	.	.	H	α-helix	trans	-79	-31.8	177	170.2	0	0	0	0	111.9	T463 L465 A903 V904 M924	T463-V467 WeakPolarHBondContact O-CB 3.34Å; T463-V467 WeakPolarHBondContact O-CG2 3.47Å; T463-V467 PolarHBondContact O-N 3.3Å; T463-V467 VanDerWaalsContact O-N 3.13Å; L465-V467 PolarHBondContact O-N 3.39Å; V467-A903 HydrophobicContact CG1-CB 3.48Å; V467-A903 VanDerWaalsContact CG1-CB 3.48Å; V467-V904 HydrophobicContact CG1-CG2 4.44Å; V467-M924 HydrophobicContact CB-CE 4.15Å; V467-M924 HydrophobicContact CG1-CE 3.78Å; V467-M924 HydrophobicContact CG2-CB 3.9Å; V467-M924 HydrophobicContact CG2-CE 3.54Å; V467-M924 HydrophobicContact CG2-CG 4.45Å
468	A	83.8	Confident	78.6	Confident	5 Å²	5	20.7 Å²	20.7	4%	0.041	11%	0.114	C	C	.	.	H	α-helix	trans	-73.3	-32.7	178.5	0	0	0	0	0	112.7	I411 V464 L465 P470 N900 V904	I411-A468 WeakPolarHBondContact CG2-O 3.05Å; V464-A468 WeakPolarHBondContact O-CB 3.42Å; V464-A468 PolarHBondContact O-N 3.42Å; L465-A468 PolarHBondContact O-N 2.99Å; L465-A468 VanDerWaalsContact O-N 3.07Å; A468-P470 VanDerWaalsContact O-CD 3.32Å; A468-P470 WeakPolarHBondContact O-CD 3.45Å; A468-N900 PolarHBondContact O-ND2 3.43Å; A468-N900 VanDerWaalsContact O-ND2 3.13Å; A468-V904 HydrophobicContact CB-CG2 3.75Å
469	V	81.1	Confident	78.5	Confident	34 Å²	34	16.5 Å²	16.5	21%	0.206	10%	0.096	C	C	.	.	S	Bend	trans	-87.6	112.8	-179.2	178.6	0	0	0	0	110.5	L465 E471	L465-V469 HydrophobicContact CD1-CG2 3.89Å; L465-V469 HydrophobicContact CG-CG2 4.49Å; L465-V469 WeakPolarHBondContact O-CG2 3.46Å; L465-V469 PolarHBondContact O-N 2.83Å; V469-E471 HydrophobicContact CG1-CG 4.28Å; V469-E471 PolarHBondContact O-N 2.88Å
470	P	75.3	Confident	78.7	Confident	4 Å²	4	16 Å²	16	3%	0.026	9%	0.093	C	C	.	.			trans	-87.9	90.7	179.1	35.4	-34.1	0	0	0	110.4	I411 A468 G472 L473 Q896	I411-P470 HydrophobicContact CD1-CG 4.25Å; I411-P470 HydrophobicContact CG2-CG 4.23Å; A468-P470 VanDerWaalsContact O-CD 3.32Å; A468-P470 WeakPolarHBondContact O-CD 3.45Å; P470-G472 VanDerWaalsContact C-N 3.31Å; P470-G472 PolarHBondContact O-N 2.97Å; P470-L473 HydrophobicContact CB-CD1 4.25Å; P470-L473 HydrophobicContact CB-CD2 4.24Å; P470-L473 HydrophobicContact CB-CG 3.83Å; P470-L473 HydrophobicContact CG-CD1 3.57Å; P470-L473 HydrophobicContact CG-CD2 4.43Å; P470-L473 HydrophobicContact CG-CG 3.71Å; P470-L473 PolarHBondContact O-N 2.93Å; P470-Q896 HydrophobicContact CB-CG 3.99Å
471	E	73.3	Confident	78.8	Confident	55 Å²	55	16 Å²	16	26%	0.257	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-35.3	-175.4	-68	172.9	-167.7	0	0	112.7	T107 V469 L473 P474 D932	T107-E471 PolarHBondContact OG1-OE1 3.48Å; T107-E471 VanDerWaalsContact OG1-OE1 3.05Å; V469-E471 HydrophobicContact CG1-CG 4.28Å; V469-E471 PolarHBondContact O-N 2.88Å; E471-L473 VanDerWaalsContact C-N 3.34Å; E471-L473 PolarHBondContact O-N 3Å; E471-P474 WeakPolarHBondContact O-CD 3.19Å; E471-D932 PolarHBondContact N-OD2 2.91Å; E471-D932 VanDerWaalsContact N-OD2 3.11Å
472	G	68.3	Low	78.7	Confident	4 Å²	4	16 Å²	16	4%	0.041	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	4.1	-177.6	0	0	0	0	0	115.7	P470 L475 A476 D932	P470-G472 VanDerWaalsContact C-N 3.31Å; P470-G472 PolarHBondContact O-N 2.97Å; G472-L475 WeakPolarHBondContact O-CB 3.43Å; G472-L475 PolarHBondContact O-N 3.11Å; G472-A476 WeakPolarHBondContact O-CB 3.33Å; G472-A476 PolarHBondContact O-N 3.46Å; G472-D932 WeakPolarHBondContact CA-OD1 3.34Å; G472-D932 PolarHBondContact N-OD1 3.4Å; G472-D932 VanDerWaalsContact N-OD1 3.14Å; G472-D932 PolarHBondContact N-OD2 3.28Å
473	L	75.5	Confident	78.7	Confident	2 Å²	2	17.3 Å²	17.3	1%	0.01	10%	0.098	C	C	.	.	H	α-helix	trans	-56.1	-46.5	173.3	-67.6	-168.8	0	0	0	113.8	L404 L407 A408 P470 E471 L475 F892 L893 Q896	L404-L473 HydrophobicContact CD2-CB 4.49Å; L404-L473 HydrophobicContact CD2-CD1 4.41Å; L407-L473 HydrophobicContact CD2-CD1 3.97Å; A408-L473 HydrophobicContact CB-CD1 4.25Å; P470-L473 HydrophobicContact CB-CD1 4.25Å; P470-L473 HydrophobicContact CB-CD2 4.24Å; P470-L473 HydrophobicContact CB-CG 3.83Å; P470-L473 HydrophobicContact CG-CD1 3.57Å; P470-L473 HydrophobicContact CG-CD2 4.43Å; P470-L473 HydrophobicContact CG-CG 3.71Å; P470-L473 PolarHBondContact O-N 2.93Å; E471-L473 VanDerWaalsContact C-N 3.34Å; E471-L473 PolarHBondContact O-N 3Å; L473-L475 VanDerWaalsContact C-N 3.34Å; L473-F892 HydrophobicContact CD2-CE1 3.69Å; L473-F892 HydrophobicContact CD2-CZ 4.32Å; L473-L893 HydrophobicContact CD1-CD2 4.29Å; L473-L893 HydrophobicContact CD2-CD2 3.53Å; L473-Q896 HydrophobicContact CD2-CG 4.32Å
474	P	68.7	Low	79.1	Confident	66 Å²	66	16.5 Å²	16.5	43%	0.429	9%	0.093	S	C	.	.	H	α-helix	trans	-72.5	-30.2	176.1	-14.5	32.3	0	0	0	112.1	E471 T478	E471-P474 WeakPolarHBondContact O-CD 3.19Å; P474-T478 PolarHBondContact O-N 3.29Å; P474-T478 PolarHBondContact O-OG1 3.47Å
475	L	72	Confident	79.2	Confident	21 Å²	21	16.5 Å²	16.5	11%	0.11	9%	0.093	C	C	.	.	H	α-helix	trans	-67	-45.5	179.1	-177.7	57.7	0	0	0	111.1	D173 K176 G472 L473 V477 T478 I479	D173-L475 WeakPolarHBondContact OD1-CD1 3.49Å; K176-L475 HydrophobicContact CD-CD1 4.37Å; G472-L475 WeakPolarHBondContact O-CB 3.43Å; G472-L475 PolarHBondContact O-N 3.11Å; L473-L475 VanDerWaalsContact C-N 3.34Å; L475-V477 VanDerWaalsContact C-N 3.32Å; L475-V477 PolarHBondContact O-N 3.19Å; L475-T478 PolarHBondContact O-N 3.1Å; L475-I479 HydrophobicContact CD1-CD1 3.91Å; L475-I479 HydrophobicContact CD1-CG1 4.09Å; L475-I479 HydrophobicContact CD2-CD1 4.36Å; L475-I479 HydrophobicContact CG-CD1 3.7Å; L475-I479 HydrophobicContact CG-CG1 4.3Å; L475-I479 WeakPolarHBondContact O-CG1 3.32Å; L475-I479 PolarHBondContact O-N 3.41Å
476	A	78.1	Confident	79.2	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.9	-39.6	178.8	0	0	0	0	0	113.3	G472 T478 S480 F892	G472-A476 WeakPolarHBondContact O-CB 3.33Å; G472-A476 PolarHBondContact O-N 3.46Å; A476-T478 VanDerWaalsContact C-N 3.35Å; A476-S480 WeakPolarHBondContact O-CB 3.5Å; A476-S480 PolarHBondContact O-N 3.24Å; A476-F892 HydrophobicContact CB-CD1 3.37Å; A476-F892 HydrophobicContact CB-CE1 3.27Å; A476-F892 HydrophobicContact CB-CG 4.16Å; A476-F892 HydrophobicContact CB-CZ 4.02Å
477	V	79.5	Confident	79.6	Confident	14 Å²	14	24.2 Å²	24.2	9%	0.085	13%	0.125	C	C	.	.	H	α-helix	trans	-58.3	-50.7	171.9	-175.2	0	0	0	0	110.1	L404 L475 I479 S480 L481 I889	L404-V477 HydrophobicContact CD1-CG2 3.1Å; L475-V477 VanDerWaalsContact C-N 3.32Å; L475-V477 PolarHBondContact O-N 3.19Å; V477-I479 PolarHBondContact O-N 3.03Å; V477-S480 PolarHBondContact O-N 2.97Å; V477-L481 WeakPolarHBondContact O-CB 3.37Å; V477-L481 PolarHBondContact O-N 3.28Å; V477-I889 HydrophobicContact CB-CD1 4.24Å; V477-I889 HydrophobicContact CG1-CD1 4.11Å; V477-I889 HydrophobicContact CG2-CD1 4.15Å
478	T	76.7	Confident	79.9	Confident	39 Å²	39	24 Å²	24	24%	0.239	12%	0.124	C	C	.	.	H	α-helix	trans	-68.4	-37.1	-172.5	-43.3	0	0	0	0	111.4	K176 F180 P474 L475 A476 A482	K176-T478 HydrophobicContact CD-CG2 3.55Å; K176-T478 HydrophobicContact CG-CG2 4.14Å; F180-T478 HydrophobicContact CE2-CG2 3.96Å; F180-T478 HydrophobicContact CZ-CG2 4.01Å; P474-T478 PolarHBondContact O-N 3.29Å; P474-T478 PolarHBondContact O-OG1 3.47Å; L475-T478 PolarHBondContact O-N 3.1Å; A476-T478 VanDerWaalsContact C-N 3.35Å; T478-A482 WeakPolarHBondContact O-CB 3.42Å; T478-A482 PolarHBondContact O-N 3.5Å
479	I	81.4	Confident	80	Confident	13 Å²	13	26.9 Å²	26.9	7%	0.067	14%	0.137	C	C	.	.	H	α-helix	trans	-67.1	-50.9	173.7	-67	172.2	0	0	0	111	N172 L475 V477 L481 A482 Y483 L937 A940	N172-I479 WeakPolarHBondContact ND2-CD1 3.44Å; N172-I479 WeakPolarHBondContact OD1-CD1 3.44Å; L475-I479 HydrophobicContact CD1-CD1 3.91Å; L475-I479 HydrophobicContact CD1-CG1 4.09Å; L475-I479 HydrophobicContact CD2-CD1 4.36Å; L475-I479 HydrophobicContact CG-CD1 3.7Å; L475-I479 HydrophobicContact CG-CG1 4.3Å; L475-I479 WeakPolarHBondContact O-CG1 3.32Å; L475-I479 PolarHBondContact O-N 3.41Å; V477-I479 PolarHBondContact O-N 3.03Å; I479-L481 PolarHBondContact O-N 3.3Å; I479-A482 PolarHBondContact O-N 2.94Å; I479-Y483 VanDerWaalsContact O-CB 3.3Å; I479-Y483 WeakPolarHBondContact O-CB 3.27Å; I479-Y483 PolarHBondContact O-N 2.96Å; I479-L937 HydrophobicContact CG2-CD1 4.01Å; I479-A940 HydrophobicContact CG2-CB 4.49Å
480	S	84.4	Confident	80.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-51.6	-46.4	177.2	-173.4	0	0	0	0	110.8	A476 V477 S484 A940	A476-S480 WeakPolarHBondContact O-CB 3.5Å; A476-S480 PolarHBondContact O-N 3.24Å; V477-S480 PolarHBondContact O-N 2.97Å; S480-S484 WeakPolarHBondContact O-CB 3.49Å; S480-S484 PolarHBondContact O-N 2.97Å; S480-S484 PolarHBondContact O-OG 3.38Å; S480-A940 PolarHBondContact OG-O 3.25Å
481	L	83	Confident	81.1	Confident	14 Å²	14	35.9 Å²	35.9	7%	0.073	18%	0.175	C	C	.	.	H	α-helix	trans	-75.8	-44.2	-175.2	-161.4	109.7	0	0	0	112.8	V477 I479 Y483 S484 V485 L498 C501 V885	V477-L481 WeakPolarHBondContact O-CB 3.37Å; V477-L481 PolarHBondContact O-N 3.28Å; I479-L481 PolarHBondContact O-N 3.3Å; L481-Y483 VanDerWaalsContact C-N 3.32Å; L481-Y483 PolarHBondContact O-N 3.37Å; L481-S484 PolarHBondContact O-N 2.9Å; L481-V485 HydrophobicContact CG-CG2 4.45Å; L481-V485 WeakPolarHBondContact O-CB 3.25Å; L481-V485 VanDerWaalsContact O-CG2 3.31Å; L481-V485 WeakPolarHBondContact O-CG2 3.35Å; L481-V485 PolarHBondContact O-N 3.47Å; L481-L498 WeakPolarHBondContact CD1-O 3.36Å; L481-L498 HydrophobicContact CD2-CB 3.46Å; L481-L498 VanDerWaalsContact CD2-CB 3.46Å; L481-L498 HydrophobicContact CD2-CD1 4.34Å; L481-L498 HydrophobicContact CD2-CD2 3.87Å; L481-L498 HydrophobicContact CD2-CG 4.07Å; L481-L498 WeakPolarHBondContact CD2-O 3.19Å; L481-C501 HydrophobicContact CD1-CB 4Å; L481-C501 HydrophobicContact CG-CB 4.5Å; L481-V885 HydrophobicContact CD1-CG1 4.18Å
482	A	81.1	Confident	81.9	Confident	1 Å²	1	36 Å²	36	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-60.4	-42.2	175.6	0	0	0	0	0	111.8	F180 T478 I479 K486	F180-A482 HydrophobicContact CE1-CB 4.19Å; F180-A482 HydrophobicContact CE2-CB 4.32Å; F180-A482 HydrophobicContact CZ-CB 3.86Å; T478-A482 WeakPolarHBondContact O-CB 3.42Å; T478-A482 PolarHBondContact O-N 3.5Å; I479-A482 PolarHBondContact O-N 2.94Å; A482-K486 WeakPolarHBondContact O-CB 3.22Å; A482-K486 PolarHBondContact O-N 3.45Å; A482-K486 VanDerWaalsContact O-N 3.12Å
483	Y	83.6	Confident	83	Confident	36 Å²	36	35.9 Å²	35.9	14%	0.141	18%	0.176	C	C	.	.	H	α-helix	trans	-63.7	-47	173.5	178.1	-100	0	0	0	111.8	I479 L481 K486 K487 T941 I1045	I479-Y483 VanDerWaalsContact O-CB 3.3Å; I479-Y483 WeakPolarHBondContact O-CB 3.27Å; I479-Y483 PolarHBondContact O-N 2.96Å; L481-Y483 VanDerWaalsContact C-N 3.32Å; L481-Y483 PolarHBondContact O-N 3.37Å; Y483-K486 PolarHBondContact O-N 3.23Å; Y483-K487 HydrophobicContact CD1-CG 4.47Å; Y483-K487 HydrophobicContact CE1-CG 4.2Å; Y483-K487 VanDerWaalsContact CE2-CE 3.43Å; Y483-K487 VanDerWaalsContact O-CG 3.31Å; Y483-K487 WeakPolarHBondContact O-CG 3.37Å; Y483-K487 PolarHBondContact O-N 3.43Å; Y483-K487 VanDerWaalsContact O-N 3.11Å; Y483-K487 VanDerWaalsContact OH-CE 3.25Å; Y483-K487 WeakPolarHBondContact OH-CE 3.37Å; Y483-K487 PolarHBondContact OH-NZ 3.39Å; Y483-T941 HydrophobicContact CD1-CG2 4.14Å; Y483-T941 HydrophobicContact CD2-CG2 4.07Å; Y483-T941 HydrophobicContact CE1-CG2 4.44Å; Y483-T941 WeakPolarHBondContact CE1-O 3.34Å; Y483-T941 HydrophobicContact CE2-CG2 4.38Å; Y483-T941 HydrophobicContact CG-CG2 3.93Å; Y483-T941 PolarHBondContact OH-O 2.96Å; Y483-I1045 HydrophobicContact CE2-CD1 4.36Å
484	S	87.3	Confident	83.7	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-45.3	-180	-64.5	0	0	0	0	112	S480 L481 K486 K487 M488 V885	S480-S484 WeakPolarHBondContact O-CB 3.49Å; S480-S484 PolarHBondContact O-N 2.97Å; S480-S484 PolarHBondContact O-OG 3.38Å; L481-S484 PolarHBondContact O-N 2.9Å; S484-K486 PolarHBondContact O-N 3.31Å; S484-K487 CarbonylContact O-C 3.59Å; S484-K487 PolarHBondContact O-N 2.83Å; S484-K487 VanDerWaalsContact O-N 3.07Å; S484-M488 WeakPolarHBondContact O-CB 3.15Å; S484-M488 WeakPolarHBondContact O-CG 3.49Å; S484-M488 PolarHBondContact O-N 3.48Å; S484-V885 WeakPolarHBondContact OG-CG2 3.32Å
485	V	84.5	Confident	84.6	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.018	16%	0.158	C	C	.	.	H	α-helix	trans	-60.4	-43.4	176.1	169.5	0	0	0	0	111.4	L183 L481 K487 M488 M489 V495 L498 C501	L183-V485 HydrophobicContact CD1-CB 4.34Å; L183-V485 HydrophobicContact CD1-CG1 3.62Å; L183-V485 HydrophobicContact CD2-CG1 4Å; L183-V485 HydrophobicContact CG-CG1 4.44Å; L481-V485 HydrophobicContact CG-CG2 4.45Å; L481-V485 WeakPolarHBondContact O-CB 3.25Å; L481-V485 VanDerWaalsContact O-CG2 3.31Å; L481-V485 WeakPolarHBondContact O-CG2 3.35Å; L481-V485 PolarHBondContact O-N 3.47Å; V485-K487 PolarHBondContact O-N 2.95Å; V485-M488 PolarHBondContact O-N 3.19Å; V485-M489 PolarHBondContact O-N 3.22Å; V485-V495 HydrophobicContact CG1-CB 3.93Å; V485-V495 HydrophobicContact CG1-CG2 4.39Å; V485-V495 HydrophobicContact CG2-CB 4.01Å; V485-V495 HydrophobicContact CG2-CG1 4.08Å; V485-V495 HydrophobicContact CG2-CG2 4.16Å; V485-L498 HydrophobicContact CG2-CD2 4.05Å; V485-C501 HydrophobicContact CG2-CB 4.38Å
486	K	84.5	Confident	85.1	Confident	113 Å²	113	35.4 Å²	35.4	49%	0.491	17%	0.165	S	C	.	.	H	α-helix	trans	-60.9	-30.7	175.3	-177.6	176.8	178.7	179.4	0	112.9	A482 Y483 S484	A482-K486 WeakPolarHBondContact O-CB 3.22Å; A482-K486 PolarHBondContact O-N 3.45Å; A482-K486 VanDerWaalsContact O-N 3.12Å; Y483-K486 PolarHBondContact O-N 3.23Å; S484-K486 PolarHBondContact O-N 3.31Å
487	K	88.5	Confident	85.2	Confident	81 Å²	81	38.6 Å²	38.6	35%	0.352	18%	0.18	S	C	.	.	H	α-helix	trans	-82.8	-41.2	175.8	-63.8	-76.1	-174.8	161.9	0	112.1	Y483 S484 V485 M489 K490 D491 W881	Y483-K487 HydrophobicContact CD1-CG 4.47Å; Y483-K487 HydrophobicContact CE1-CG 4.2Å; Y483-K487 VanDerWaalsContact CE2-CE 3.43Å; Y483-K487 VanDerWaalsContact O-CG 3.31Å; Y483-K487 WeakPolarHBondContact O-CG 3.37Å; Y483-K487 PolarHBondContact O-N 3.43Å; Y483-K487 VanDerWaalsContact O-N 3.11Å; Y483-K487 VanDerWaalsContact OH-CE 3.25Å; Y483-K487 WeakPolarHBondContact OH-CE 3.37Å; Y483-K487 PolarHBondContact OH-NZ 3.39Å; S484-K487 CarbonylContact O-C 3.59Å; S484-K487 PolarHBondContact O-N 2.83Å; S484-K487 VanDerWaalsContact O-N 3.07Å; V485-K487 PolarHBondContact O-N 2.95Å; K487-M489 VanDerWaalsContact C-N 3.26Å; K487-M489 PolarHBondContact O-N 3.14Å; K487-K490 WeakPolarHBondContact O-CA 3.48Å; K487-K490 VanDerWaalsContact O-CB 3.32Å; K487-K490 WeakPolarHBondContact O-CB 3.34Å; K487-K490 PolarHBondContact O-N 3.1Å; K487-D491 PolarHBondContact O-N 3.02Å; K487-W881 HydrophobicContact CB-CH2 3.36Å; K487-W881 HydrophobicContact CB-CZ2 3.32Å; K487-W881 HydrophobicContact CB-CZ3 4.06Å; K487-W881 HydrophobicContact CG-CH2 3.68Å; K487-W881 HydrophobicContact CG-CZ2 4.09Å; K487-W881 HydrophobicContact CG-CZ3 4.39Å
488	M	88.4	Confident	85.2	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-54.9	-40.8	172	-78.6	-179.6	67.5	0	0	111.9	S484 V485 K490 D491 N492 N493 V495 C501 I865 A878 W881	S484-M488 WeakPolarHBondContact O-CB 3.15Å; S484-M488 WeakPolarHBondContact O-CG 3.49Å; S484-M488 PolarHBondContact O-N 3.48Å; V485-M488 PolarHBondContact O-N 3.19Å; M488-K490 VanDerWaalsContact C-N 3.27Å; M488-K490 PolarHBondContact O-N 3.23Å; M488-D491 CarbonylContact O-C 3.23Å; M488-D491 VanDerWaalsContact O-CA 3.26Å; M488-D491 WeakPolarHBondContact O-CA 3.5Å; M488-D491 WeakPolarHBondContact O-CB 3.18Å; M488-D491 PolarHBondContact O-N 3.43Å; M488-N492 PolarHBondContact O-N 3.48Å; M488-N493 CarbonylContact C-O 3.26Å; M488-N493 HydrophobicContact CB-CB 4.02Å; M488-N493 HydrophobicContact CE-CB 3.91Å; M488-N493 PolarHBondContact O-N 3.02Å; M488-V495 HydrophobicContact CB-CG2 4.38Å; M488-V495 HydrophobicContact CE-CG2 3.48Å; M488-V495 VanDerWaalsContact CE-CG2 3.48Å; M488-V495 HydrophobicContact SD-CG2 3.98Å; M488-C501 HydrophobicContact SD-CB 4.39Å; M488-C501 PolarHBondContact SD-SG 3.22Å; M488-I865 HydrophobicContact CE-CD1 4.27Å; M488-A878 HydrophobicContact CE-CB 3.8Å; M488-W881 HydrophobicContact CG-CB 3.66Å; M488-W881 VanDerWaalsContact CG-CD1 3.48Å; M488-W881 HydrophobicContact CG-CD2 4.01Å; M488-W881 HydrophobicContact CG-CG 3.43Å; M488-W881 VanDerWaalsContact CG-CG 3.43Å; M488-W881 HydrophobicContact SD-CB 3.62Å; M488-W881 HydrophobicContact SD-CG 4.1Å
489	M	85.3	Confident	85.4	Confident	65 Å²	65	42.3 Å²	42.3	32%	0.32	20%	0.198	S	C	.	.	H	α-helix	trans	-60.1	-35.3	174.1	-172.6	-169.3	71.9	0	0	112.4	L183 R186 V485 K487 D491 N492 N493 L494	L183-M489 HydrophobicContact CD2-SD 3.9Å; R186-M489 HydrophobicContact CB-SD 4.44Å; R186-M489 HydrophobicContact CG-SD 4.46Å; V485-M489 PolarHBondContact O-N 3.22Å; K487-M489 VanDerWaalsContact C-N 3.26Å; K487-M489 PolarHBondContact O-N 3.14Å; M489-D491 VanDerWaalsContact C-N 3.31Å; M489-N492 PolarHBondContact O-N 2.97Å; M489-N493 WeakPolarHBondContact CA-O 3.37Å; M489-N493 PolarHBondContact N-O 3.22Å; M489-N493 VanDerWaalsContact N-O 3.16Å; M489-L494 HydrophobicContact CG-CD1 4.2Å; M489-L494 HydrophobicContact SD-CD1 4.49Å
490	K	87.8	Confident	85.7	Confident	176 Å²	176	41.8 Å²	41.8	77%	0.765	20%	0.195	S	C	*	.	H	α-helix	trans	-72.6	-26.5	172.7	-167.1	-173.7	175.5	-172.1	0	112.1	K487 M488 N492	K487-K490 WeakPolarHBondContact O-CA 3.48Å; K487-K490 VanDerWaalsContact O-CB 3.32Å; K487-K490 WeakPolarHBondContact O-CB 3.34Å; K487-K490 PolarHBondContact O-N 3.1Å; M488-K490 VanDerWaalsContact C-N 3.27Å; M488-K490 PolarHBondContact O-N 3.23Å; K490-N492 VanDerWaalsContact C-N 3.25Å; K490-N492 PolarHBondContact O-N 3.44Å
491	D	90.4	Very high	85.9	Confident	51 Å²	51	41.8 Å²	41.8	27%	0.273	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	26.6	172.3	-75.2	-35	0	0	0	112.9	K487 M488 M489 N493 K877 W881	K487-D491 PolarHBondContact O-N 3.02Å; M488-D491 CarbonylContact O-C 3.23Å; M488-D491 VanDerWaalsContact O-CA 3.26Å; M488-D491 WeakPolarHBondContact O-CA 3.5Å; M488-D491 WeakPolarHBondContact O-CB 3.18Å; M488-D491 PolarHBondContact O-N 3.43Å; M489-D491 VanDerWaalsContact C-N 3.31Å; D491-N493 PolarHBondContact O-N 2.9Å; D491-N493 PolarHBondContact O-ND2 3.15Å; D491-K877 HydrophobicContact CB-CD 3.81Å; D491-W881 PolarHBondContact OD2-NE1 3.33Å
492	N	90.6	Very high	86.1	Confident	58 Å²	58	41.4 Å²	41.4	31%	0.31	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	19.3	177.6	-54.3	-28.4	0	0	0	116.2	M488 M489 K490 L867 T868 D869	M488-N492 PolarHBondContact O-N 3.48Å; M489-N492 PolarHBondContact O-N 2.97Å; K490-N492 VanDerWaalsContact C-N 3.25Å; K490-N492 PolarHBondContact O-N 3.44Å; N492-L867 WeakPolarHBondContact O-CA 3.47Å; N492-T868 WeakPolarHBondContact CA-OG1 3.39Å; N492-T868 WeakPolarHBondContact CB-OG1 3.48Å; N492-T868 PolarHBondContact O-N 3Å; N492-T868 PolarHBondContact O-OG1 3.17Å; N492-D869 HydrophobicContact CB-CB 4.02Å; N492-D869 VanDerWaalsContact CB-CG 3.45Å; N492-D869 WeakPolarHBondContact CB-OD2 3.42Å; N492-D869 PolarHBondContact ND2-OD2 3.31Å
493	N	91.4	Very high	86.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	100.1	175	-74	-93.4	0	0	0	110.2	M488 M489 D491 V495 I865 L867 S874	M488-N493 CarbonylContact C-O 3.26Å; M488-N493 HydrophobicContact CB-CB 4.02Å; M488-N493 HydrophobicContact CE-CB 3.91Å; M488-N493 PolarHBondContact O-N 3.02Å; M489-N493 WeakPolarHBondContact CA-O 3.37Å; M489-N493 PolarHBondContact N-O 3.22Å; M489-N493 VanDerWaalsContact N-O 3.16Å; D491-N493 PolarHBondContact O-N 2.9Å; D491-N493 PolarHBondContact O-ND2 3.15Å; N493-V495 PolarHBondContact O-N 2.87Å; N493-I865 HydrophobicContact CB-CG2 4.21Å; N493-L867 VanDerWaalsContact OD1-CD2 3.27Å; N493-L867 WeakPolarHBondContact OD1-CD2 3.47Å; N493-S874 WeakPolarHBondContact ND2-CB 3.44Å; N493-S874 PolarHBondContact ND2-O 2.86Å; N493-S874 PolarHBondContact OD1-O 3.36Å; N493-S874 VanDerWaalsContact OD1-O 3.13Å
494	L	89.7	Confident	86.9	Confident	5 Å²	5	40.5 Å²	40.5	3%	0.026	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	101.1	176.2	-177.7	66.7	0	0	0	109.9	I187 E190 M489 I865 I866 T868	I187-L494 HydrophobicContact CG1-CD1 3.83Å; I187-L494 HydrophobicContact CG1-CD2 4.11Å; I187-L494 HydrophobicContact CG1-CG 4.16Å; E190-L494 WeakPolarHBondContact OE2-CD2 3.2Å; M489-L494 HydrophobicContact CG-CD1 4.2Å; M489-L494 HydrophobicContact SD-CD1 4.49Å; L494-I865 WeakPolarHBondContact O-CA 3.22Å; L494-I866 HydrophobicContact CB-CB 4.28Å; L494-I866 PolarHBondContact N-O 3.49Å; L494-I866 PolarHBondContact O-N 2.93Å; L494-T868 HydrophobicContact CB-CG2 3.96Å
495	V	88.4	Confident	87.1	Confident	7 Å²	7	40.6 Å²	40.6	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	118.5	179.7	-175.7	0	0	0	0	110	V485 M488 N493 H497 C501 I865	V485-V495 HydrophobicContact CG1-CB 3.93Å; V485-V495 HydrophobicContact CG1-CG2 4.39Å; V485-V495 HydrophobicContact CG2-CB 4.01Å; V485-V495 HydrophobicContact CG2-CG1 4.08Å; V485-V495 HydrophobicContact CG2-CG2 4.16Å; M488-V495 HydrophobicContact CB-CG2 4.38Å; M488-V495 HydrophobicContact CE-CG2 3.48Å; M488-V495 VanDerWaalsContact CE-CG2 3.48Å; M488-V495 HydrophobicContact SD-CG2 3.98Å; N493-V495 PolarHBondContact O-N 2.87Å; V495-H497 WeakPolarHBondContact CG1-O 3.42Å; V495-C501 HydrophobicContact CG1-CB 4.42Å; V495-I865 HydrophobicContact CG1-CG1 4.42Å; V495-I865 HydrophobicContact CG2-CD1 4.41Å; V495-I865 HydrophobicContact CG2-CG1 4.28Å
496	R	83.5	Confident	87.4	Confident	67 Å²	67	41.2 Å²	41.2	25%	0.253	20%	0.195	S	C	.	.	S	Bend	trans	-88.1	-43.8	173.8	-59.9	176	71.2	-132.5	8.2	111.4	K860 E861 S863 D864 I866	R496-K860 PolarHBondContact NH1-O 3.2Å; R496-K860 VanDerWaalsContact NH1-O 3.09Å; R496-E861 PolarHBondContact NH1-O 3.17Å; R496-S863 PolarHBondContact NH1-O 2.86Å; R496-D864 WeakPolarHBondContact CB-O 3.19Å; R496-D864 PolarHBondContact N-O 3.36Å; R496-I866 HydrophobicContact CG-CD1 4.38Å
497	H	80	Confident	87.8	Confident	68 Å²	68	35.9 Å²	35.9	32%	0.315	17%	0.172	S	C	.	.	S	Bend	trans	-108.3	119.4	180	-67.4	-54.3	0	0	0	110.5	V495 A500 D864	V495-H497 WeakPolarHBondContact CG1-O 3.42Å; H497-A500 WeakPolarHBondContact O-CB 3.41Å; H497-A500 PolarHBondContact O-N 3.34Å; H497-D864 HydrophobicContact CB-CB 4.09Å; H497-D864 IonicContact CD2-OD1 2.6Å; H497-D864 PolarHBondContact CD2-OD1 2.9Å; H497-D864 IonicContact CG-OD1 3.26Å; H497-D864 PolarHBondContact N-O 2.66Å
498	L	78.1	Confident	88	Confident	63 Å²	63	33.1 Å²	33.1	33%	0.33	16%	0.162	S	C	.	.	H	α-helix	trans	-66.3	-44.4	-165.2	-74.7	-175.6	0	0	0	112.7	F180 L481 V485 A500 C501	F180-L498 HydrophobicContact CD1-CD1 4.17Å; F180-L498 HydrophobicContact CD1-CD2 4.46Å; F180-L498 HydrophobicContact CE1-CD1 3.38Å; F180-L498 HydrophobicContact CE1-CD2 3.76Å; F180-L498 HydrophobicContact CE1-CG 4.23Å; F180-L498 HydrophobicContact CZ-CD1 3.82Å; L481-L498 WeakPolarHBondContact CD1-O 3.36Å; L481-L498 HydrophobicContact CD2-CB 3.46Å; L481-L498 VanDerWaalsContact CD2-CB 3.46Å; L481-L498 HydrophobicContact CD2-CD1 4.34Å; L481-L498 HydrophobicContact CD2-CD2 3.87Å; L481-L498 HydrophobicContact CD2-CG 4.07Å; L481-L498 WeakPolarHBondContact CD2-O 3.19Å; V485-L498 HydrophobicContact CG2-CD2 4.05Å; L498-A500 VanDerWaalsContact C-N 3.26Å; L498-A500 PolarHBondContact O-N 2.99Å; L498-C501 VanDerWaalsContact O-CB 3.28Å; L498-C501 WeakPolarHBondContact O-CB 3.47Å; L498-C501 PolarHBondContact O-N 3.16Å
499	D	82.1	Confident	88.3	Confident	68 Å²	68	33.2 Å²	33.2	36%	0.364	16%	0.163	S	C	.	.	H	α-helix	trans	-55.5	-33.6	172.7	52.4	-47	0	0	0	113.6	C501 E502 T503	D499-C501 PolarHBondContact O-N 3.07Å; D499-E502 WeakPolarHBondContact O-CB 3.42Å; D499-E502 PolarHBondContact O-N 2.79Å; D499-T503 PolarHBondContact O-N 2.84Å; D499-T503 PolarHBondContact O-OG1 2.93Å
500	A	87.8	Confident	88.9	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-62.4	-28.4	177.8	0	0	0	0	0	113.6	H497 L498 E502 T503 M504 V847 D864 I865	H497-A500 WeakPolarHBondContact O-CB 3.41Å; H497-A500 PolarHBondContact O-N 3.34Å; L498-A500 VanDerWaalsContact C-N 3.26Å; L498-A500 PolarHBondContact O-N 2.99Å; A500-E502 VanDerWaalsContact C-N 3.35Å; A500-T503 PolarHBondContact O-N 3.06Å; A500-M504 WeakPolarHBondContact O-CB 3.45Å; A500-M504 PolarHBondContact O-N 2.88Å; A500-V847 HydrophobicContact CB-CG1 4.26Å; A500-V847 HydrophobicContact CB-CG2 4.28Å; A500-D864 HydrophobicContact CB-CB 3.45Å; A500-D864 VanDerWaalsContact CB-CB 3.45Å; A500-I865 HydrophobicContact CB-CG1 4.44Å
501	C	87.6	Confident	89.3	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.5	-43.3	172.7	178.8	0	0	0	0	111.4	L481 V485 M488 V495 L498 D499 G882	L481-C501 HydrophobicContact CD1-CB 4Å; L481-C501 HydrophobicContact CG-CB 4.5Å; V485-C501 HydrophobicContact CG2-CB 4.38Å; M488-C501 HydrophobicContact SD-CB 4.39Å; M488-C501 PolarHBondContact SD-SG 3.22Å; V495-C501 HydrophobicContact CG1-CB 4.42Å; L498-C501 VanDerWaalsContact O-CB 3.28Å; L498-C501 WeakPolarHBondContact O-CB 3.47Å; L498-C501 PolarHBondContact O-N 3.16Å; D499-C501 PolarHBondContact O-N 3.07Å; C501-G882 WeakPolarHBondContact O-CA 3.49Å
502	E	87.8	Confident	89.5	Confident	6 Å²	6	19.4 Å²	19.4	3%	0.028	10%	0.099	C	C	.	.	H	α-helix	trans	-70.1	-49.9	175.7	-177	-155	133.4	0	0	111.1	S398 L400 D499 A500 M504 G505	S398-E502 WeakPolarHBondContact CB-OE2 3.38Å; S398-E502 PolarHBondContact OG-OE2 2.92Å; L400-E502 HydrophobicContact CB-CG 4.28Å; L400-E502 WeakPolarHBondContact CB-OE1 3.44Å; L400-E502 WeakPolarHBondContact CB-OE2 3.35Å; L400-E502 HydrophobicContact CD2-CG 4.48Å; L400-E502 PolarHBondContact N-OE1 2.92Å; D499-E502 WeakPolarHBondContact O-CB 3.42Å; D499-E502 PolarHBondContact O-N 2.79Å; A500-E502 VanDerWaalsContact C-N 3.35Å; E502-M504 VanDerWaalsContact C-N 3.27Å; E502-M504 PolarHBondContact O-N 2.84Å; E502-G505 PolarHBondContact O-N 3.4Å
503	T	89.6	Confident	89.4	Confident	18 Å²	18	17.2 Å²	17.2	11%	0.11	9%	0.087	C	C	.	.	H	α-helix	trans	-57.8	-39.3	-175.6	-59.5	0	0	0	0	111.8	D499 A500 G505 N506 V828 D846 V847	D499-T503 PolarHBondContact O-N 2.84Å; D499-T503 PolarHBondContact O-OG1 2.93Å; A500-T503 PolarHBondContact O-N 3.06Å; T503-G505 PolarHBondContact O-N 3.21Å; T503-G505 VanDerWaalsContact O-N 3.16Å; T503-N506 PolarHBondContact O-N 3.26Å; T503-V828 HydrophobicContact CG2-CG1 3.81Å; T503-D846 HydrophobicContact CG2-CB 3.83Å; T503-V847 HydrophobicContact CG2-CG2 3.83Å
504	M	91.8	Very high	89.3	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.1	-25.4	177.3	-165.2	59.8	-172.6	0	0	113.6	A500 E502 N506 A507 I510 A830 V847 F849 I875 A878 V879	A500-M504 WeakPolarHBondContact O-CB 3.45Å; A500-M504 PolarHBondContact O-N 2.88Å; E502-M504 VanDerWaalsContact C-N 3.27Å; E502-M504 PolarHBondContact O-N 2.84Å; M504-N506 PolarHBondContact O-N 3.08Å; M504-A507 HydrophobicContact CE-CB 4.08Å; M504-A507 WeakPolarHBondContact O-CB 3.49Å; M504-A507 PolarHBondContact O-N 2.98Å; M504-A507 HydrophobicContact SD-CB 3.88Å; M504-I510 HydrophobicContact CE-CD1 4.32Å; M504-I510 HydrophobicContact CE-CG1 4.42Å; M504-A830 HydrophobicContact CE-CB 3.86Å; M504-A830 HydrophobicContact SD-CB 3.79Å; M504-V847 HydrophobicContact CB-CG2 4.2Å; M504-V847 HydrophobicContact SD-CB 4.25Å; M504-V847 HydrophobicContact SD-CG1 4.22Å; M504-V847 HydrophobicContact SD-CG2 4.28Å; M504-F849 HydrophobicContact CE-CE2 3.59Å; M504-F849 HydrophobicContact CE-CZ 3.75Å; M504-F849 HydrophobicContact CG-CE2 4.45Å; M504-F849 HydrophobicContact CG-CZ 4.05Å; M504-F849 HydrophobicContact SD-CE2 3.55Å; M504-F849 VanDerWaalsContact SD-CE2 3.55Å; M504-F849 HydrophobicContact SD-CZ 3.74Å; M504-I875 HydrophobicContact CE-CG2 3.57Å; M504-A878 HydrophobicContact CG-CB 4.24Å; M504-V879 HydrophobicContact CE-CG2 3.42Å; M504-V879 VanDerWaalsContact CE-CG2 3.42Å; M504-V879 HydrophobicContact CG-CG2 4.02Å; M504-V879 HydrophobicContact SD-CG2 4.41Å
505	G	91	Very high	88.8	Confident	2 Å²	2	19.1 Å²	19.1	2%	0.021	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.9	174.2	0	0	0	0	0	113.5	E502 T503 R883	E502-G505 PolarHBondContact O-N 3.4Å; T503-G505 PolarHBondContact O-N 3.21Å; T503-G505 VanDerWaalsContact O-N 3.16Å; G505-R883 VanDerWaalsContact O-CG 3.22Å; G505-R883 WeakPolarHBondContact O-CG 3.29Å; G505-R883 PolarHBondContact O-NE 3.38Å
506	N	91.3	Very high	88.1	Confident	17 Å²	17	18.8 Å²	18.8	9%	0.091	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	2.2	-179.4	-71.8	-59.2	0	0	0	114.5	T503 M504 T508 V828 Y954 G955	T503-N506 PolarHBondContact O-N 3.26Å; M504-N506 PolarHBondContact O-N 3.08Å; N506-T508 PolarHBondContact O-N 2.7Å; N506-V828 HydrophobicContact CB-CG2 4.16Å; N506-V828 WeakPolarHBondContact O-CB 3.27Å; N506-Y954 PolarHBondContact OD1-N 3.43Å; N506-G955 PolarHBondContact OD1-N 2.82Å
507	A	92.6	Very high	88	Confident	1 Å²	1	15.6 Å²	15.6	1%	0.008	8%	0.084	C	C	.	.			trans	-50	131.1	-179.7	0	0	0	0	0	112.5	M504 I739	M504-A507 HydrophobicContact CE-CB 4.08Å; M504-A507 WeakPolarHBondContact O-CB 3.49Å; M504-A507 PolarHBondContact O-N 2.98Å; M504-A507 HydrophobicContact SD-CB 3.88Å; A507-I739 HydrophobicContact CB-CD1 4.39Å; A507-I739 WeakPolarHBondContact O-CG1 3.29Å
508	T	93.6	Very high	88.4	Confident	23 Å²	23	12.4 Å²	12.4	14%	0.141	7%	0.069	C	C	.	.			trans	-113	-25.3	176.7	62.8	0	0	0	0	112.2	N506 I739 T740 Q827 V828 P953	N506-T508 PolarHBondContact O-N 2.7Å; T508-I739 WeakPolarHBondContact O-CA 3.33Å; T508-T740 PolarHBondContact O-N 3.47Å; T508-Q827 VanDerWaalsContact CB-OE1 3.25Å; T508-Q827 PolarHBondContact OG1-OE1 2.86Å; T508-V828 PolarHBondContact N-O 3.37Å; T508-V828 PolarHBondContact OG1-N 3.06Å; T508-V828 VanDerWaalsContact OG1-N 3.16Å; T508-V828 PolarHBondContact OG1-O 3.42Å; T508-P953 HydrophobicContact CG2-CG 3.92Å
509	A	94.6	Very high	88.8	Confident	1 Å²	1	9.4 Å²	9.4	1%	0.008	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	142.6	177.1	0	0	0	0	0	111.2	T740 V828 V829 A830	A509-T740 WeakPolarHBondContact CA-O 3.44Å; A509-V828 PolarHBondContact N-O 3.12Å; A509-V829 HydrophobicContact CB-CG2 4.45Å; A509-A830 PolarHBondContact O-N 3.09Å
510	I	96.9	Very high	88.7	Confident	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	114	167.5	-65.2	165.5	0	0	0	107.6	M504 I739 T740 V741 R742 A830 T832 F872 I875	M504-I510 HydrophobicContact CE-CD1 4.32Å; M504-I510 HydrophobicContact CE-CG1 4.42Å; I510-I739 HydrophobicContact CD1-CG2 3.75Å; I510-I739 HydrophobicContact CG1-CG2 3.75Å; I510-T740 PolarHBondContact N-O 2.96Å; I510-V741 HydrophobicContact CB-CG2 4.48Å; I510-V741 CarbonylContact O-C 3.55Å; I510-V741 WeakPolarHBondContact O-CA 3.44Å; I510-R742 PolarHBondContact O-N 3.26Å; I510-A830 CarbonylContact C-O 3.56Å; I510-A830 WeakPolarHBondContact CA-O 3.5Å; I510-A830 HydrophobicContact CG1-CB 4.15Å; I510-T832 HydrophobicContact CG2-CG2 4.24Å; I510-F872 HydrophobicContact CG2-CE2 4.36Å; I510-F872 HydrophobicContact CG2-CZ 4.36Å; I510-I875 HydrophobicContact CD1-CG2 4.11Å
511	C	96.2	Very high	88.2	Confident	3 Å²	3	8.9 Å²	8.9	2%	0.02	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	101.8	170.4	-70.8	0	0	0	0	108.5	V744 V814 A830 V831 T832	C511-V744 HydrophobicContact CB-CG2 4.2Å; C511-V814 HydrophobicContact CB-CG2 4.42Å; C511-A830 PolarHBondContact N-O 2.55Å; C511-V831 HydrophobicContact CB-CG2 4.26Å; C511-V831 CarbonylContact O-C 3.54Å; C511-V831 VanDerWaalsContact O-CA 3.31Å; C511-V831 WeakPolarHBondContact O-CA 3.46Å; C511-T832 PolarHBondContact O-N 3.46Å
512	S	94.1	Very high	87.8	Confident	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	135	-173.6	-172.8	0	0	0	0	111.2	T517 R742 M743 V744 T832	S512-T517 WeakPolarHBondContact OG-CG2 3.49Å; S512-R742 PolarHBondContact N-O 3Å; S512-M743 WeakPolarHBondContact O-CA 3.27Å; S512-V744 PolarHBondContact O-N 3.39Å; S512-T832 VanDerWaalsContact CA-OG1 3.29Å; S512-T832 WeakPolarHBondContact CA-OG1 3.22Å; S512-T832 PolarHBondContact OG-OG1 3.08Å; S512-T832 VanDerWaalsContact OG-OG1 3.11Å
513	D	90.3	Very high	87.7	Confident	12 Å²	12	12.7 Å²	12.7	6%	0.064	7%	0.068	C	C	.	.			trans	-66.1	157.2	159.8	-161	82.6	0	0	0	110.3	T515 L518 V744 K810 T832	D513-T515 PolarHBondContact OD2-N 2.99Å; D513-L518 WeakPolarHBondContact O-CG 3.4Å; D513-V744 WeakPolarHBondContact CA-O 3.31Å; D513-V744 VanDerWaalsContact OD1-O 3.04Å; D513-K810 IonicContact OD1-NZ 2.73Å; D513-K810 PolarHBondContact OD1-NZ 3.5Å; D513-T832 PolarHBondContact N-O 2.88Å; D513-T832 PolarHBondContact N-OG1 2.91Å
514	K	87.4	Confident	87.7	Confident	9 Å²	9	13 Å²	13	4%	0.039	7%	0.07	C	C	.	.	I	π-helix	trans	-83.6	-48.7	177.3	-175.2	-118.8	61.1	-176.1	0	111.4	L518 T519 D721 M743 T745 D747 I755	K514-L518 PolarHBondContact O-N 2.96Å; K514-L518 VanDerWaalsContact O-N 3.17Å; K514-T519 HydrophobicContact CD-CG2 4.11Å; K514-T519 HydrophobicContact CG-CG2 4.17Å; K514-T519 PolarHBondContact O-N 3.41Å; K514-T519 PolarHBondContact O-OG1 3.49Å; K514-D721 IonicContact NZ-OD2 2.73Å; K514-M743 HydrophobicContact CB-CE 4.42Å; K514-M743 HydrophobicContact CB-CG 4.05Å; K514-M743 HydrophobicContact CB-SD 3.91Å; K514-M743 HydrophobicContact CG-CE 4.06Å; K514-M743 HydrophobicContact CG-SD 3.93Å; K514-T745 HydrophobicContact CB-CG2 4.29Å; K514-D747 WeakPolarHBondContact CD-OD2 3.43Å; K514-D747 WeakPolarHBondContact CE-OD2 3.3Å; K514-D747 IonicContact NZ-OD2 2.63Å; K514-D747 PolarHBondContact NZ-OD2 3.27Å; K514-I755 HydrophobicContact CD-CG1 4.41Å; K514-I755 HydrophobicContact CD-CG2 4.45Å; K514-I755 HydrophobicContact CG-CG2 3.94Å
515	T	79.9	Confident	87.7	Confident	36 Å²	36	13.3 Å²	13.3	22%	0.221	7%	0.072	C	C	.	.	I	π-helix	trans	-79.1	141.8	-173.7	-47.8	0	0	0	0	109.3	D513 T517 N521	D513-T515 PolarHBondContact OD2-N 2.99Å; T515-T517 PolarHBondContact O-N 3.14Å; T515-N521 HydrophobicContact CG2-CB 4.39Å; T515-N521 WeakPolarHBondContact CG2-OD1 3.36Å
516	G	74.1	Confident	87.8	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.084	C	C	.	.	I	π-helix	trans	75.9	-45.5	-178.6	0	0	0	0	0	113.5	T519 R724	G516-T519 CarbonylContact C-O 3.5Å; G516-R724 PolarHBondContact O-NH2 2.91Å
517	T	81.5	Confident	87.9	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.	I	π-helix	trans	-85.2	-71.3	-177.1	-51.6	0	0	0	0	112.4	S512 T515 R724 T832 M851 F872	S512-T517 WeakPolarHBondContact OG-CG2 3.49Å; T515-T517 PolarHBondContact O-N 3.14Å; T517-R724 WeakPolarHBondContact O-CD 3.43Å; T517-R724 PolarHBondContact O-NE 3.11Å; T517-R724 VanDerWaalsContact O-NE 3.07Å; T517-T832 HydrophobicContact CG2-CG2 4.31Å; T517-T832 WeakPolarHBondContact CG2-OG1 3.45Å; T517-T832 PolarHBondContact OG1-OG1 3.26Å; T517-M851 HydrophobicContact CG2-CE 3.87Å; T517-M851 HydrophobicContact CG2-SD 4.39Å; T517-M851 WeakPolarHBondContact OG1-CE 3.24Å; T517-F872 HydrophobicContact CG2-CD2 3.88Å
518	L	88.3	Confident	88	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.084	C	C	.	.	I	π-helix	trans	-80	-31.3	-173.7	-62.1	176.1	0	0	0	112.3	D513 K514 R724 V727 I731 M743 I761 F872	D513-L518 WeakPolarHBondContact O-CG 3.4Å; K514-L518 PolarHBondContact O-N 2.96Å; K514-L518 VanDerWaalsContact O-N 3.17Å; L518-R724 PolarHBondContact O-N 3.26Å; L518-R724 VanDerWaalsContact O-N 3.1Å; L518-V727 HydrophobicContact CD2-CG1 3.85Å; L518-V727 HydrophobicContact CD2-CG2 4.47Å; L518-I731 HydrophobicContact CD2-CD1 4.17Å; L518-M743 HydrophobicContact CD1-CE 3.98Å; L518-M743 HydrophobicContact CD1-CG 4.47Å; L518-I761 HydrophobicContact CD1-CD1 3.9Å; L518-F872 HydrophobicContact CD2-CD2 3.66Å; L518-F872 HydrophobicContact CD2-CE2 3.82Å; L518-F872 HydrophobicContact CD2-CG 4.18Å; L518-F872 HydrophobicContact CD2-CZ 4.48Å
519	T	86.2	Confident	88	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.083	C	C	.	.	B	Isolated β-bridge	trans	-102.1	161.5	175.3	61.2	0	0	0	0	111.3	K514 G516 N521 D721 P722 R724 I755	K514-T519 HydrophobicContact CD-CG2 4.11Å; K514-T519 HydrophobicContact CG-CG2 4.17Å; K514-T519 PolarHBondContact O-N 3.41Å; K514-T519 PolarHBondContact O-OG1 3.49Å; G516-T519 CarbonylContact C-O 3.5Å; T519-N521 PolarHBondContact O-N 2.64Å; T519-D721 WeakPolarHBondContact CB-OD1 3.39Å; T519-D721 VanDerWaalsContact CB-OD2 3.26Å; T519-D721 WeakPolarHBondContact CB-OD2 3.47Å; T519-D721 VanDerWaalsContact CG2-O 3.31Å; T519-D721 WeakPolarHBondContact CG2-O 3.43Å; T519-D721 PolarHBondContact OG1-OD1 3.36Å; T519-D721 PolarHBondContact OG1-OD2 3.25Å; T519-P722 CarbonylContact C-O 3.45Å; T519-P722 VanDerWaalsContact CA-O 3.29Å; T519-P722 WeakPolarHBondContact CA-O 3.08Å; T519-P722 WeakPolarHBondContact CB-O 3.26Å; T519-R724 PolarHBondContact O-NE 2.82Å; T519-I755 HydrophobicContact CG2-CG2 4.29Å
520	T	80.9	Confident	87.9	Confident	29 Å²	29	16 Å²	16	18%	0.178	8%	0.084	C	C	.	.			trans	-69.7	-9.4	179.5	59.8	0	0	0	0	114	R522 L575 P722 R724	T520-R522 PolarHBondContact O-N 2.82Å; T520-L575 HydrophobicContact CG2-CD1 4.35Å; T520-P722 HydrophobicContact CG2-CG 4.5Å; T520-P722 PolarHBondContact N-O 3.33Å; T520-P722 WeakPolarHBondContact OG1-CD 3.28Å; T520-P722 WeakPolarHBondContact OG1-CG 3.25Å; T520-P722 PolarHBondContact OG1-O 3.25Å; T520-R724 HydrophobicContact CG2-CG 3.94Å
521	N	76.3	Confident	87.4	Confident	29 Å²	29	16.3 Å²	16.3	16%	0.155	9%	0.088	C	C	.	.	S	Bend	trans	55.2	33.8	-173.2	-155.7	-8.4	0	0	0	111.9	T515 T519 K582 D721	T515-N521 HydrophobicContact CG2-CB 4.39Å; T515-N521 WeakPolarHBondContact CG2-OD1 3.36Å; T519-N521 PolarHBondContact O-N 2.64Å; N521-K582 PolarHBondContact ND2-NZ 3.37Å; N521-K582 WeakPolarHBondContact O-CD 3.36Å; N521-K582 PolarHBondContact O-NZ 3.43Å; N521-K582 PolarHBondContact OD1-NZ 2.92Å; N521-D721 WeakPolarHBondContact CA-OD1 3.28Å; N521-D721 PolarHBondContact N-OD1 3.45Å
522	R	80.4	Confident	87	Confident	53 Å²	53	17.7 Å²	17.7	20%	0.2	10%	0.095	C	C	.	.			trans	-131.1	112.1	-177.7	-178.7	-164.3	167.1	-156.2	-5.7	107.4	T520 T524 Q578 D721 P722	T520-R522 PolarHBondContact O-N 2.82Å; R522-T524 PolarHBondContact O-N 3.15Å; R522-Q578 HydrophobicContact CG-CG 3.97Å; R522-D721 PolarHBondContact N-OD1 3.02Å; R522-D721 VanDerWaalsContact N-OD1 3.12Å; R522-P722 WeakPolarHBondContact O-CD 3.24Å
523	M	84.9	Confident	86.8	Confident	34 Å²	34	20.4 Å²	20.4	17%	0.167	11%	0.112	C	C	.	.			trans	-75.3	131.6	-178.3	-68.3	-76.1	165.6	0	0	110.1	Q578 K582 G586 I719 E720 D721	M523-Q578 PolarHBondContact O-NE2 3.1Å; M523-K582 HydrophobicContact CB-CB 4.31Å; M523-K582 VanDerWaalsContact CB-O 3.31Å; M523-K582 WeakPolarHBondContact CB-O 3.38Å; M523-K582 HydrophobicContact CG-CB 3.8Å; M523-G586 WeakPolarHBondContact O-CA 3.17Å; M523-I719 HydrophobicContact CB-CG2 3.78Å; M523-I719 HydrophobicContact CG-CG2 4.44Å; M523-I719 HydrophobicContact SD-CG2 4.1Å; M523-E720 CarbonylContact C-O 3.52Å; M523-E720 WeakPolarHBondContact CA-O 3.22Å; M523-D721 HydrophobicContact CE-CB 3.95Å; M523-D721 HydrophobicContact SD-CB 4.12Å
524	T	89.3	Confident	86.9	Confident	24 Å²	24	22.4 Å²	22.4	15%	0.147	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	134.8	179.3	50.1	0	0	0	0	110.2	R522 I719 E720 P722	R522-T524 PolarHBondContact O-N 3.15Å; T524-I719 CarbonylContact O-C 3.51Å; T524-I719 WeakPolarHBondContact O-CA 3.23Å; T524-I719 WeakPolarHBondContact O-CG2 3.42Å; T524-E720 PolarHBondContact N-O 2.75Å; T524-E720 PolarHBondContact O-N 3.08Å; T524-E720 PolarHBondContact OG1-O 3.36Å; T524-P722 HydrophobicContact CG2-CG 4.45Å
525	A	92.4	Very high	87.1	Confident	7 Å²	7	24.5 Å²	24.5	6%	0.058	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	129.1	167.7	0	0	0	0	0	109.2	I538 L590 V717	A525-I538 HydrophobicContact CB-CD1 4.23Å; A525-L590 HydrophobicContact CB-CB 3.78Å; A525-L590 HydrophobicContact CB-CD1 4.07Å; A525-L590 HydrophobicContact CB-CD2 4.37Å; A525-L590 HydrophobicContact CB-CG 4.29Å; A525-V717 HydrophobicContact CB-CG1 3.6Å
526	V	91.7	Very high	87.6	Confident	43 Å²	43	29.8 Å²	29.8	26%	0.261	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	-35.9	-178.3	176.1	0	0	0	0	111.5	E537 G718 E720	V526-E537 CarbonylContact O-C 3.59Å; V526-E537 VanDerWaalsContact O-CA 3.3Å; V526-E537 WeakPolarHBondContact O-CA 3.39Å; V526-G718 PolarHBondContact N-O 3.48Å; V526-E720 HydrophobicContact CB-CG 4.28Å; V526-E720 HydrophobicContact CG2-CG 3.58Å
527	Q	94.1	Very high	88.4	Confident	14 Å²	14	37.3 Å²	37.3	7%	0.065	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	151.1	176.1	-57.2	-167.6	5.2	0	0	110.7	H534 Y535 K536 M678 D681 L683 G718	Q527-H534 PolarHBondContact OE1-CE1 3.05Å; Q527-H534 PolarHBondContact OE1-NE2 2.81Å; Q527-Y535 WeakPolarHBondContact CA-O 3.44Å; Q527-Y535 WeakPolarHBondContact CB-O 3.32Å; Q527-K536 WeakPolarHBondContact CG-O 3.36Å; Q527-M678 HydrophobicContact CB-CE 3.89Å; Q527-D681 PolarHBondContact NE2-OD2 3.21Å; Q527-L683 HydrophobicContact CB-CD1 3.9Å; Q527-L683 HydrophobicContact CG-CD1 3.49Å; Q527-L683 VanDerWaalsContact CG-CD1 3.49Å; Q527-G718 PolarHBondContact N-O 3.27Å; Q527-G718 PolarHBondContact O-N 3.45Å
528	C	94.1	Very high	88.8	Confident	6 Å²	6	39.4 Å²	39.4	4%	0.041	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	149	169.5	67.1	0	0	0	0	112.4	Y535 P539 V716	C528-Y535 PolarHBondContact N-O 3.4Å; C528-Y535 VanDerWaalsContact N-O 3.07Å; C528-Y535 PolarHBondContact O-N 3.25Å; C528-P539 WeakPolarHBondContact SG-CD 3.39Å; C528-V716 CarbonylContact C-O 3.4Å; C528-V716 VanDerWaalsContact CA-O 3.32Å; C528-V716 WeakPolarHBondContact CA-O 3.21Å
529	Y	93.9	Very high	88.9	Confident	32 Å²	32	40.2 Å²	40.2	13%	0.125	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	116.8	167.6	-178.5	-83	0	0	0	108.2	D532 V533 H534 I652 M670 V674 C715 V716	Y529-D532 WeakPolarHBondContact OH-CA 3.5Å; Y529-D532 PolarHBondContact OH-OD1 3.35Å; Y529-V533 WeakPolarHBondContact CA-O 3.28Å; Y529-H534 HydrophobicContact CD2-CB 3.99Å; Y529-I652 HydrophobicContact CE1-CD1 4.05Å; Y529-M670 HydrophobicContact CD1-SD 3.69Å; Y529-M670 HydrophobicContact CE1-SD 3.42Å; Y529-M670 WeakPolarHBondContact CE1-SD 3.41Å; Y529-M670 HydrophobicContact CE2-SD 4.45Å; Y529-M670 HydrophobicContact CG-SD 4.33Å; Y529-V674 HydrophobicContact CD2-CB 4.48Å; Y529-V674 HydrophobicContact CD2-CG1 4.02Å; Y529-V674 HydrophobicContact CD2-CG2 3.69Å; Y529-V674 HydrophobicContact CE2-CG2 3.88Å; Y529-V674 HydrophobicContact CG-CG1 4.26Å; Y529-C715 CarbonylContact O-C 3.3Å; Y529-C715 WeakPolarHBondContact O-CA 3.42Å; Y529-C715 WeakPolarHBondContact O-CB 3.48Å; Y529-V716 PolarHBondContact N-O 3.37Å; Y529-V716 PolarHBondContact O-N 3Å
530	V	92.2	Very high	89	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.024	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	139.5	-178.9	62.4	0	0	0	0	109.1	D532 V533 Y535 I544 C715	V530-D532 VanDerWaalsContact C-N 3.32Å; V530-D532 PolarHBondContact O-N 3.41Å; V530-V533 PolarHBondContact N-O 3.17Å; V530-V533 VanDerWaalsContact N-O 3.17Å; V530-V533 PolarHBondContact O-N 3.08Å; V530-Y535 HydrophobicContact CG1-CD2 4.16Å; V530-Y535 HydrophobicContact CG1-CE2 3.91Å; V530-I544 HydrophobicContact CG1-CD1 4.02Å; V530-I544 HydrophobicContact CG1-CG1 4.12Å; V530-I544 HydrophobicContact CG2-CG2 4.15Å; V530-C715 HydrophobicContact CB-CB 4.17Å; V530-C715 HydrophobicContact CG2-CB 4.43Å
531	G	87.8	Confident	89.4	Confident	8 Å²	8	45.4 Å²	45.4	8%	0.082	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	45.8	-178.1	0	0	0	0	0	112.5	V533 E655	G531-V533 PolarHBondContact O-N 3.39Å; G531-E655 VanDerWaalsContact O-CG 3.25Å; G531-E655 WeakPolarHBondContact O-CG 3.15Å
532	D	87.1	Confident	89.8	Confident	32 Å²	32	47.9 Å²	47.9	17%	0.171	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	8.2	-178.6	-66.3	-42.3	0	0	0	118.7	Y529 V530 E655 R660	Y529-D532 WeakPolarHBondContact OH-CA 3.5Å; Y529-D532 PolarHBondContact OH-OD1 3.35Å; V530-D532 VanDerWaalsContact C-N 3.32Å; V530-D532 PolarHBondContact O-N 3.41Å; D532-E655 HydrophobicContact CB-CG 4.38Å; D532-R660 VanDerWaalsContact CG-CZ 3.48Å; D532-R660 IonicContact OD1-CZ 3.47Å; D532-R660 IonicContact OD1-NE 2.68Å; D532-R660 IonicContact OD1-NH2 2.9Å; D532-R660 PolarHBondContact OD1-NH2 2.95Å; D532-R660 IonicContact OD2-CZ 3.39Å; D532-R660 IonicContact OD2-NE 3Å; D532-R660 PolarHBondContact OD2-NE 3.07Å; D532-R660 IonicContact OD2-NH1 3.42Å; D532-R660 PolarHBondContact OD2-NH1 3.26Å; D532-R660 IonicContact OD2-NH2 2.69Å; D532-R660 PolarHBondContact OD2-NH2 3.14Å
533	V	90.2	Very high	90.1	Very high	57 Å²	57	49.3 Å²	49.3	35%	0.345	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.1	176.2	179.8	0	0	0	0	111.3	Y529 V530 G531 Y535	Y529-V533 WeakPolarHBondContact CA-O 3.28Å; V530-V533 PolarHBondContact N-O 3.17Å; V530-V533 VanDerWaalsContact N-O 3.17Å; V530-V533 PolarHBondContact O-N 3.08Å; G531-V533 PolarHBondContact O-N 3.39Å; V533-Y535 HydrophobicContact CB-CD2 4.31Å; V533-Y535 HydrophobicContact CB-CE1 4.48Å; V533-Y535 HydrophobicContact CB-CE2 3.61Å; V533-Y535 HydrophobicContact CG1-CD1 4.15Å; V533-Y535 HydrophobicContact CG1-CD2 4.07Å; V533-Y535 HydrophobicContact CG1-CE1 3.74Å; V533-Y535 HydrophobicContact CG1-CE2 3.65Å; V533-Y535 HydrophobicContact CG1-CG 4.3Å; V533-Y535 VanDerWaalsContact CG1-CZ 3.47Å
534	H	92.2	Very high	90.3	Very high	54 Å²	54	48 Å²	48	25%	0.25	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	105.1	170.1	-177.9	-172.3	0	0	0	110.2	Q527 Y529 M678	Q527-H534 PolarHBondContact OE1-CE1 3.05Å; Q527-H534 PolarHBondContact OE1-NE2 2.81Å; Y529-H534 HydrophobicContact CD2-CB 3.99Å; H534-M678 VanDerWaalsContact NE2-CE 3.34Å; H534-M678 WeakPolarHBondContact NE2-CE 3.22Å
535	Y	92.3	Very high	90.3	Very high	52 Å²	52	48 Å²	48	20%	0.204	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	126.5	173.2	-57.1	-87.1	0	0	0	110.6	Q527 C528 V530 V533 E537 P539 V543	Q527-Y535 WeakPolarHBondContact CA-O 3.44Å; Q527-Y535 WeakPolarHBondContact CB-O 3.32Å; C528-Y535 PolarHBondContact N-O 3.4Å; C528-Y535 VanDerWaalsContact N-O 3.07Å; C528-Y535 PolarHBondContact O-N 3.25Å; V530-Y535 HydrophobicContact CG1-CD2 4.16Å; V530-Y535 HydrophobicContact CG1-CE2 3.91Å; V533-Y535 HydrophobicContact CB-CD2 4.31Å; V533-Y535 HydrophobicContact CB-CE1 4.48Å; V533-Y535 HydrophobicContact CB-CE2 3.61Å; V533-Y535 HydrophobicContact CG1-CD1 4.15Å; V533-Y535 HydrophobicContact CG1-CD2 4.07Å; V533-Y535 HydrophobicContact CG1-CE1 3.74Å; V533-Y535 HydrophobicContact CG1-CE2 3.65Å; V533-Y535 HydrophobicContact CG1-CG 4.3Å; V533-Y535 VanDerWaalsContact CG1-CZ 3.47Å; Y535-E537 VanDerWaalsContact CB-O 3.27Å; Y535-E537 WeakPolarHBondContact CB-O 3.47Å; Y535-P539 HydrophobicContact CD1-CB 3.71Å; Y535-P539 HydrophobicContact CD1-CG 4.08Å; Y535-P539 HydrophobicContact CD2-CB 4.45Å; Y535-P539 HydrophobicContact CD2-CG 3.94Å; Y535-P539 HydrophobicContact CE1-CB 3.88Å; Y535-P539 HydrophobicContact CE1-CG 4.37Å; Y535-P539 HydrophobicContact CE2-CG 4.24Å; Y535-P539 HydrophobicContact CG-CB 4.02Å; Y535-P539 HydrophobicContact CG-CG 3.85Å; Y535-V543 HydrophobicContact CE1-CG1 4.27Å; Y535-V543 WeakPolarHBondContact OH-CG1 3.47Å
536	K	89.6	Confident	90.2	Very high	147 Å²	147	52.4 Å²	52.4	64%	0.639	30%	0.296	S	S	*	.	S	Bend	trans	-84.1	-11.3	177.2	-69.6	-166.8	176.1	-167.5	0	114.3	Q527	Q527-K536 WeakPolarHBondContact CG-O 3.36Å
537	E	90.1	Very high	90.1	Very high	159 Å²	159	55.4 Å²	55.4	74%	0.743	31%	0.306	S	S	*	.	S	Bend	trans	-133.6	159	171.5	-65.2	179.8	179.4	0	0	106.6	V526 Y535 P539	V526-E537 CarbonylContact O-C 3.59Å; V526-E537 VanDerWaalsContact O-CA 3.3Å; V526-E537 WeakPolarHBondContact O-CA 3.39Å; Y535-E537 VanDerWaalsContact CB-O 3.27Å; Y535-E537 WeakPolarHBondContact CB-O 3.47Å; E537-P539 WeakPolarHBondContact O-CD 3.36Å
538	I	90.5	Very high	90	Very high	44 Å²	44	54.8 Å²	54.8	23%	0.226	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-68.3	121.1	-179.5	-57.4	-48.8	0	0	0	109.5	A525 L590 D593 L594	A525-I538 HydrophobicContact CB-CD1 4.23Å; I538-L590 HydrophobicContact CB-CD1 4.49Å; I538-L590 HydrophobicContact CD1-CD1 3.61Å; I538-L590 HydrophobicContact CG1-CD1 4.03Å; I538-L590 HydrophobicContact CG2-CD1 3.66Å; I538-D593 HydrophobicContact CG2-CB 4.36Å; I538-L594 HydrophobicContact CG2-CD2 4.17Å; I538-L594 HydrophobicContact CG2-CG 4.39Å
539	P	90.6	Very high	89.9	Confident	16 Å²	16	54.8 Å²	54.8	10%	0.104	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-74.3	156.8	-176	31.2	-36.2	0	0	0	112	C528 Y535 E537 I544 L594	C528-P539 WeakPolarHBondContact SG-CD 3.39Å; Y535-P539 HydrophobicContact CD1-CB 3.71Å; Y535-P539 HydrophobicContact CD1-CG 4.08Å; Y535-P539 HydrophobicContact CD2-CB 4.45Å; Y535-P539 HydrophobicContact CD2-CG 3.94Å; Y535-P539 HydrophobicContact CE1-CB 3.88Å; Y535-P539 HydrophobicContact CE1-CG 4.37Å; Y535-P539 HydrophobicContact CE2-CG 4.24Å; Y535-P539 HydrophobicContact CG-CB 4.02Å; Y535-P539 HydrophobicContact CG-CG 3.85Å; E537-P539 WeakPolarHBondContact O-CD 3.36Å; P539-I544 HydrophobicContact CG-CD1 4.15Å; P539-I544 HydrophobicContact CG-CG1 4.32Å; P539-L594 WeakPolarHBondContact O-CD2 3.48Å
540	D	89.3	Confident	89.8	Confident	117 Å²	117	57.2 Å²	57.2	63%	0.626	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-61.1	142.8	171.1	-87.6	-54.4	0	0	0	111.6	G542 V543	D540-G542 PolarHBondContact O-N 3.46Å; D540-V543 HydrophobicContact CB-CG2 4.38Å; D540-V543 PolarHBondContact O-N 3Å
541	P	87.6	Confident	89.9	Confident	21 Å²	21	57.7 Å²	57.7	14%	0.136	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-59.2	-27	-173.8	-25.6	34.9	0	0	0	114.5	V543 I544 L549 L594 K595	P541-V543 PolarHBondContact O-N 2.78Å; P541-I544 PolarHBondContact O-N 3.08Å; P541-L549 HydrophobicContact CB-CD2 4.1Å; P541-L594 VanDerWaalsContact CG-C 3.5Å; P541-L594 HydrophobicContact CG-CB 4.43Å; P541-L594 HydrophobicContact CG-CD2 4.44Å; P541-L594 WeakPolarHBondContact CG-O 3.46Å; P541-K595 HydrophobicContact CG-CB 4.18Å; P541-K595 HydrophobicContact CG-CG 3.98Å
542	G	85.2	Confident	90.2	Very high	81 Å²	81	57.5 Å²	57.5	84%	0.835	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-71.5	-12.4	179.1	0	0	0	0	0	114.9	D540	D540-G542 PolarHBondContact O-N 3.46Å
543	V	87.9	Confident	90.6	Very high	84 Å²	84	56.2 Å²	56.2	51%	0.509	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-85.4	-23.3	176.2	-169.9	0	0	0	0	111.3	Y535 D540 P541	Y535-V543 HydrophobicContact CE1-CG1 4.27Å; Y535-V543 WeakPolarHBondContact OH-CG1 3.47Å; D540-V543 HydrophobicContact CB-CG2 4.38Å; D540-V543 PolarHBondContact O-N 3Å; P541-V543 PolarHBondContact O-N 2.78Å
544	I	88.9	Confident	90.8	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.031	31%	0.305	C	S	.	.	S	Bend	trans	-87	132.9	179.1	-56.1	179.1	0	0	0	109.2	V530 P539 P541 L549 L594	V530-I544 HydrophobicContact CG1-CD1 4.02Å; V530-I544 HydrophobicContact CG1-CG1 4.12Å; V530-I544 HydrophobicContact CG2-CG2 4.15Å; P539-I544 HydrophobicContact CG-CD1 4.15Å; P539-I544 HydrophobicContact CG-CG1 4.32Å; P541-I544 PolarHBondContact O-N 3.08Å; I544-L549 HydrophobicContact CB-CB 4.35Å; I544-L549 HydrophobicContact CD1-CD1 4.32Å; I544-L549 HydrophobicContact CG2-CB 3.88Å; I544-L594 HydrophobicContact CD1-CD1 4.43Å; I544-L594 HydrophobicContact CD1-CD2 3.82Å
545	P	88.9	Confident	90.9	Very high	25 Å²	25	53.2 Å²	53.2	16%	0.162	29%	0.294	C	S	.	.			trans	-54.4	132.1	175.6	-27.3	35.4	0	0	0	111.4	K547 S548 L549 E655	P545-K547 VanDerWaalsContact C-N 3.26Å; P545-K547 PolarHBondContact O-N 3.19Å; P545-K547 VanDerWaalsContact O-N 3.11Å; P545-S548 WeakPolarHBondContact O-CA 3.48Å; P545-S548 WeakPolarHBondContact O-CB 3.41Å; P545-S548 PolarHBondContact O-N 3.25Å; P545-L549 PolarHBondContact O-N 2.96Å; P545-E655 WeakPolarHBondContact CG-O 3.44Å
546	P	89.4	Confident	91.1	Very high	98 Å²	98	50.8 Å²	50.8	64%	0.636	29%	0.285	S	S	*	.	H	α-helix	trans	-52.9	-41.2	-173	-30.4	35.3	0	0	0	113.9	S548 L549 D550	P546-S548 PolarHBondContact O-N 2.96Å; P546-L549 PolarHBondContact O-N 3.41Å; P546-D550 WeakPolarHBondContact O-CB 3.48Å; P546-D550 PolarHBondContact O-N 2.94Å
547	K	89.8	Confident	91.3	Very high	107 Å²	107	43.8 Å²	43.8	47%	0.465	25%	0.254	S	S	.	.	H	α-helix	trans	-62.9	-40.9	176.7	-174.7	178.3	172	-163.2	0	113	P545 L551 G657	P545-K547 VanDerWaalsContact C-N 3.26Å; P545-K547 PolarHBondContact O-N 3.19Å; P545-K547 VanDerWaalsContact O-N 3.11Å; K547-L551 HydrophobicContact CG-CD1 4.49Å; K547-L551 WeakPolarHBondContact O-CB 3.23Å; K547-L551 VanDerWaalsContact O-CG 3.29Å; K547-L551 WeakPolarHBondContact O-CG 3.38Å; K547-L551 PolarHBondContact O-N 2.95Å; K547-L551 VanDerWaalsContact O-N 3.13Å; K547-G657 WeakPolarHBondContact CD-O 3.32Å; K547-G657 WeakPolarHBondContact CE-O 3.22Å; K547-G657 PolarHBondContact NZ-O 3Å
548	S	91.5	Very high	91.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-69.1	-40	175.2	-59.9	0	0	0	0	111.6	P545 P546 L552 G657	P545-S548 WeakPolarHBondContact O-CA 3.48Å; P545-S548 WeakPolarHBondContact O-CB 3.41Å; P545-S548 PolarHBondContact O-N 3.25Å; P546-S548 PolarHBondContact O-N 2.96Å; S548-L552 VanDerWaalsContact O-CB 3.26Å; S548-L552 WeakPolarHBondContact O-CB 3.48Å; S548-L552 PolarHBondContact O-N 2.72Å; S548-G657 WeakPolarHBondContact OG-CA 3.43Å
549	L	92.4	Very high	91.5	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-63.1	-49.9	177.9	-178.5	61.3	0	0	0	111	P541 I544 P545 P546 L551 L552 I553 L594	P541-L549 HydrophobicContact CB-CD2 4.1Å; I544-L549 HydrophobicContact CB-CB 4.35Å; I544-L549 HydrophobicContact CD1-CD1 4.32Å; I544-L549 HydrophobicContact CG2-CB 3.88Å; P545-L549 PolarHBondContact O-N 2.96Å; P546-L549 PolarHBondContact O-N 3.41Å; L549-L551 PolarHBondContact O-N 3.22Å; L549-L552 WeakPolarHBondContact O-CB 3.48Å; L549-L552 PolarHBondContact O-N 3.43Å; L549-I553 HydrophobicContact CD1-CD1 3.78Å; L549-I553 HydrophobicContact CD1-CG1 4.26Å; L549-I553 HydrophobicContact CG-CD1 3.69Å; L549-I553 VanDerWaalsContact O-CD1 3.31Å; L549-I553 WeakPolarHBondContact O-CD1 3.38Å; L549-I553 WeakPolarHBondContact O-CG1 3.38Å; L549-I553 PolarHBondContact O-N 2.81Å; L549-L594 HydrophobicContact CD1-CB 4.5Å; L549-L594 HydrophobicContact CD1-CD1 4.05Å
550	D	92.5	Very high	91.4	Very high	83 Å²	83	33.7 Å²	33.7	44%	0.444	21%	0.205	S	C	.	.	H	α-helix	trans	-64.5	-40	178.8	-70.5	-22.6	0	0	0	112	P546 N554	P546-D550 WeakPolarHBondContact O-CB 3.48Å; P546-D550 PolarHBondContact O-N 2.94Å; D550-N554 WeakPolarHBondContact O-CB 3.48Å; D550-N554 PolarHBondContact O-N 3.35Å; D550-N554 PolarHBondContact O-ND2 3.12Å
551	L	93.5	Very high	91	Very high	15 Å²	15	29.5 Å²	29.5	8%	0.079	19%	0.187	C	C	.	.	H	α-helix	trans	-62.2	-43.1	173	-77.7	171	0	0	0	111.9	K547 L549 A555 L653 Y690 I714	K547-L551 HydrophobicContact CG-CD1 4.49Å; K547-L551 WeakPolarHBondContact O-CB 3.23Å; K547-L551 VanDerWaalsContact O-CG 3.29Å; K547-L551 WeakPolarHBondContact O-CG 3.38Å; K547-L551 PolarHBondContact O-N 2.95Å; K547-L551 VanDerWaalsContact O-N 3.13Å; L549-L551 PolarHBondContact O-N 3.22Å; L551-A555 WeakPolarHBondContact O-CB 3.44Å; L551-A555 PolarHBondContact O-N 2.91Å; L551-L653 HydrophobicContact CD1-CD1 4.03Å; L551-Y690 HydrophobicContact CD1-CE1 4.11Å; L551-I714 HydrophobicContact CB-CD1 4.37Å
552	L	94.4	Very high	90.7	Very high	4 Å²	4	30 Å²	30	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-63	-48.1	178.7	177.6	56.2	0	0	0	112.1	S548 L549 A555 I556 L594 V688 I714 C715	S548-L552 VanDerWaalsContact O-CB 3.26Å; S548-L552 WeakPolarHBondContact O-CB 3.48Å; S548-L552 PolarHBondContact O-N 2.72Å; L549-L552 WeakPolarHBondContact O-CB 3.48Å; L549-L552 PolarHBondContact O-N 3.43Å; L552-A555 PolarHBondContact O-N 3.42Å; L552-I556 HydrophobicContact CD1-CD1 3.62Å; L552-I556 HydrophobicContact CD1-CG1 4.14Å; L552-I556 HydrophobicContact CG-CD1 4.1Å; L552-I556 WeakPolarHBondContact O-CG1 3.45Å; L552-I556 PolarHBondContact O-N 2.97Å; L552-L594 HydrophobicContact CD2-CD1 4.2Å; L552-V688 HydrophobicContact CD1-CB 4.43Å; L552-V688 HydrophobicContact CD1-CG1 4.39Å; L552-I714 HydrophobicContact CB-CG2 3.85Å; L552-I714 HydrophobicContact CD1-CG2 4.11Å; L552-C715 HydrophobicContact CD1-CB 4.38Å; L552-C715 WeakPolarHBondContact CD1-SG 3.35Å
553	I	94.8	Very high	90.4	Very high	5 Å²	5	31 Å²	31	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-63.4	-46.7	-179.3	-65.3	157	0	0	0	110.4	L549 I556 S557 V591 R596 I601	L549-I553 HydrophobicContact CD1-CD1 3.78Å; L549-I553 HydrophobicContact CD1-CG1 4.26Å; L549-I553 HydrophobicContact CG-CD1 3.69Å; L549-I553 VanDerWaalsContact O-CD1 3.31Å; L549-I553 WeakPolarHBondContact O-CD1 3.38Å; L549-I553 WeakPolarHBondContact O-CG1 3.38Å; L549-I553 PolarHBondContact O-N 2.81Å; I553-I556 PolarHBondContact O-N 2.86Å; I553-S557 VanDerWaalsContact O-CB 3.23Å; I553-S557 WeakPolarHBondContact O-CB 3.5Å; I553-S557 PolarHBondContact O-N 3.01Å; I553-S557 PolarHBondContact O-OG 2.76Å; I553-V591 HydrophobicContact CG1-CG1 4.45Å; I553-V591 HydrophobicContact CG2-CG1 3.85Å; I553-R596 HydrophobicContact CD1-CB 3.91Å; I553-R596 HydrophobicContact CD1-CG 3.54Å; I553-R596 HydrophobicContact CG1-CB 4.42Å; I553-I601 HydrophobicContact CG2-CD1 3.47Å; I553-I601 VanDerWaalsContact CG2-CD1 3.47Å
554	N	94.4	Very high	90	Very high	46 Å²	46	27.1 Å²	27.1	25%	0.246	15%	0.152	C	C	.	.	H	α-helix	trans	-62.4	-45.6	176.9	-78.2	-60.6	0	0	0	111.3	D550 I556 S557 I558 I601	D550-N554 WeakPolarHBondContact O-CB 3.48Å; D550-N554 PolarHBondContact O-N 3.35Å; D550-N554 PolarHBondContact O-ND2 3.12Å; N554-I556 PolarHBondContact O-N 3.06Å; N554-S557 PolarHBondContact O-N 3.23Å; N554-I558 HydrophobicContact CB-CD1 4.18Å; N554-I558 VanDerWaalsContact O-CB 3.28Å; N554-I558 WeakPolarHBondContact O-CB 3.48Å; N554-I558 VanDerWaalsContact O-CG1 3.3Å; N554-I558 WeakPolarHBondContact O-CG1 3.26Å; N554-I558 PolarHBondContact O-N 2.81Å; N554-I601 WeakPolarHBondContact OD1-CG2 3.21Å
555	A	95.3	Very high	89.8	Confident	2 Å²	2	31.2 Å²	31.2	2%	0.017	17%	0.17	C	C	.	.	H	α-helix	trans	-58.6	-44.6	178.7	0	0	0	0	0	112.4	L551 L552 N559 Y637 V688 I714	L551-A555 WeakPolarHBondContact O-CB 3.44Å; L551-A555 PolarHBondContact O-N 2.91Å; L552-A555 PolarHBondContact O-N 3.42Å; A555-N559 WeakPolarHBondContact O-CB 2.94Å; A555-N559 PolarHBondContact O-N 2.88Å; A555-N559 VanDerWaalsContact O-N 3.08Å; A555-Y637 VanDerWaalsContact CA-CD1 3.43Å; A555-Y637 HydrophobicContact CB-CD1 3.39Å; A555-Y637 HydrophobicContact CB-CE1 3.89Å; A555-Y637 HydrophobicContact CB-CG 4.04Å; A555-V688 HydrophobicContact CB-CG1 3.6Å; A555-I714 HydrophobicContact CB-CD1 3.85Å
556	I	95.5	Very high	89.8	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-69.8	-45.7	178.2	-70.9	172	0	0	0	111.7	L552 I553 N554 S560 L587 L588 L590 V591 V688	L552-I556 HydrophobicContact CD1-CD1 3.62Å; L552-I556 HydrophobicContact CD1-CG1 4.14Å; L552-I556 HydrophobicContact CG-CD1 4.1Å; L552-I556 WeakPolarHBondContact O-CG1 3.45Å; L552-I556 PolarHBondContact O-N 2.97Å; I553-I556 PolarHBondContact O-N 2.86Å; N554-I556 PolarHBondContact O-N 3.06Å; I556-S560 WeakPolarHBondContact O-CB 3.39Å; I556-S560 PolarHBondContact O-OG 3.46Å; I556-L587 HydrophobicContact CD1-CB 4.34Å; I556-L587 HydrophobicContact CD1-CD2 4.37Å; I556-L587 HydrophobicContact CG1-CB 4.36Å; I556-L587 HydrophobicContact CG2-CB 3.74Å; I556-L587 WeakPolarHBondContact CG2-O 3.39Å; I556-L588 HydrophobicContact CG2-CD2 4.1Å; I556-L590 HydrophobicContact CD1-CD2 4.22Å; I556-V591 HydrophobicContact CB-CG2 3.93Å; I556-V591 HydrophobicContact CD1-CG2 4.12Å; I556-V591 HydrophobicContact CG2-CG2 3.67Å; I556-V688 HydrophobicContact CG1-CG2 4.34Å
557	S	94.6	Very high	89.6	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-67.5	-39.7	-173.2	-56.5	0	0	0	0	112.5	I553 N554 Y598 R602	I553-S557 VanDerWaalsContact O-CB 3.23Å; I553-S557 WeakPolarHBondContact O-CB 3.5Å; I553-S557 PolarHBondContact O-N 3.01Å; I553-S557 PolarHBondContact O-OG 2.76Å; N554-S557 PolarHBondContact O-N 3.23Å; S557-Y598 VanDerWaalsContact OG-CB 3.27Å; S557-Y598 WeakPolarHBondContact OG-CB 3.41Å; S557-R602 PolarHBondContact O-NE 3.49Å
558	I	93.7	Very high	89.3	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-85	-44.2	-177.1	-61.7	166.5	0	0	0	110.9	N554 S560 I601 I605 L610 T625 I627 Y637	N554-I558 HydrophobicContact CB-CD1 4.18Å; N554-I558 VanDerWaalsContact O-CB 3.28Å; N554-I558 WeakPolarHBondContact O-CB 3.48Å; N554-I558 VanDerWaalsContact O-CG1 3.3Å; N554-I558 WeakPolarHBondContact O-CG1 3.26Å; N554-I558 PolarHBondContact O-N 2.81Å; I558-S560 PolarHBondContact O-N 3.05Å; I558-I601 HydrophobicContact CD1-CG2 4.2Å; I558-I601 HydrophobicContact CG1-CG2 4Å; I558-I605 HydrophobicContact CD1-CD1 3.72Å; I558-I605 HydrophobicContact CG1-CD1 4.44Å; I558-L610 HydrophobicContact CG2-CD2 4.01Å; I558-T625 HydrophobicContact CG2-CG2 3.87Å; I558-I627 HydrophobicContact CD1-CD1 4.3Å; I558-I627 HydrophobicContact CG2-CG2 3.79Å; I558-Y637 HydrophobicContact CB-CD2 4.2Å; I558-Y637 HydrophobicContact CB-CE2 4.36Å; I558-Y637 HydrophobicContact CD1-CD2 4.35Å; I558-Y637 HydrophobicContact CD1-CE2 3.66Å; I558-Y637 HydrophobicContact CG2-CD2 4.1Å; I558-Y637 HydrophobicContact CG2-CE2 4.39Å
559	N	91.2	Very high	88.8	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	18%	0.179	C	C	.	.	S	Bend	trans	-84.1	33.7	-178.9	-163.9	28.8	0	0	0	113.1	A555 M623 S624 T625 Y637 S638 K639	A555-N559 WeakPolarHBondContact O-CB 2.94Å; A555-N559 PolarHBondContact O-N 2.88Å; A555-N559 VanDerWaalsContact O-N 3.08Å; N559-M623 PolarHBondContact ND2-O 3.21Å; N559-S624 WeakPolarHBondContact OD1-CA 3.08Å; N559-T625 WeakPolarHBondContact OD1-CB 3.46Å; N559-T625 PolarHBondContact OD1-N 3.12Å; N559-T625 VanDerWaalsContact OD1-N 3.11Å; N559-T625 PolarHBondContact OD1-OG1 2.81Å; N559-Y637 PolarHBondContact ND2-O 3.42Å; N559-S638 VanDerWaalsContact ND2-C 3.27Å; N559-S638 VanDerWaalsContact ND2-CA 3.34Å; N559-S638 WeakPolarHBondContact ND2-CA 3.4Å; N559-K639 PolarHBondContact ND2-N 3.16Å; N559-K639 VanDerWaalsContact ND2-N 3.14Å; N559-K639 VanDerWaalsContact O-CD 3.32Å; N559-K639 WeakPolarHBondContact O-CD 3.43Å; N559-K639 WeakPolarHBondContact O-CE 3.29Å; N559-K639 PolarHBondContact O-NZ 3.23Å
560	S	89.2	Confident	87.8	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.021	21%	0.21	C	C	.	.	S	Bend	trans	-135	140.2	174.5	-60.3	0	0	0	0	109.1	I556 I558 R602 K639	I556-S560 WeakPolarHBondContact O-CB 3.39Å; I556-S560 PolarHBondContact O-OG 3.46Å; I558-S560 PolarHBondContact O-N 3.05Å; S560-R602 PolarHBondContact O-NH2 3.24Å; S560-K639 PolarHBondContact OG-NZ 2.96Å
561	A	79.9	Confident	87	Confident	29 Å²	29	41.7 Å²	41.7	24%	0.24	22%	0.224	C	C	.	.			trans	-56	142.5	-173.5	0	0	0	0	0	112.3	T563 T564 E584 R602	A561-T563 PolarHBondContact O-N 3.45Å; A561-T564 WeakPolarHBondContact O-CA 3.31Å; A561-T564 WeakPolarHBondContact O-CB 3.46Å; A561-T564 PolarHBondContact O-N 3.34Å; A561-E584 PolarHBondContact N-OE2 2.87Å; A561-R602 PolarHBondContact O-NH2 3.22Å
562	Y	82.3	Confident	85.5	Confident	33 Å²	33	50.7 Å²	50.7	13%	0.129	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.1	-179.1	-80.3	-107	0	0	0	112.3	T564 K565 R602 I605 E607 L610	Y562-T564 VanDerWaalsContact C-N 3.31Å; Y562-K565 WeakPolarHBondContact O-CE 3.44Å; Y562-R602 HydrophobicContact CD1-CB 4.45Å; Y562-R602 HydrophobicContact CE1-CB 3.67Å; Y562-R602 HydrophobicContact CE1-CG 3.77Å; Y562-I605 PolarHBondContact OH-O 2.83Å; Y562-E607 HydrophobicContact CD1-CB 4.32Å; Y562-E607 HydrophobicContact CD2-CB 4.04Å; Y562-E607 HydrophobicContact CD2-CG 4.3Å; Y562-E607 HydrophobicContact CE2-CB 4.4Å; Y562-E607 HydrophobicContact CG-CB 4.05Å; Y562-L610 HydrophobicContact CE2-CD1 3.99Å
563	T	77.6	Confident	84.3	Confident	101 Å²	101	54.7 Å²	54.7	62%	0.62	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-24.3	167.9	54	0	0	0	0	113	A561 K565	A561-T563 PolarHBondContact O-N 3.45Å; T563-K565 PolarHBondContact O-N 3.44Å
564	T	81.1	Confident	82.9	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.012	32%	0.324	C	S	.	.			trans	-78.8	117.8	176.1	-62.2	0	0	0	0	110.3	A561 Y562 V579 N581 E584 C585 L588 R602	A561-T564 WeakPolarHBondContact O-CA 3.31Å; A561-T564 WeakPolarHBondContact O-CB 3.46Å; A561-T564 PolarHBondContact O-N 3.34Å; Y562-T564 VanDerWaalsContact C-N 3.31Å; T564-V579 CarbonylContact C-O 3.35Å; T564-V579 VanDerWaalsContact CA-O 3.23Å; T564-V579 WeakPolarHBondContact CA-O 3.43Å; T564-N581 PolarHBondContact OG1-N 3.37Å; T564-E584 WeakPolarHBondContact CB-OE2 3.44Å; T564-E584 HydrophobicContact CG2-CB 3.61Å; T564-E584 PolarHBondContact OG1-OE2 2.95Å; T564-C585 HydrophobicContact CG2-CB 4.49Å; T564-C585 WeakPolarHBondContact CG2-SG 3.49Å; T564-L588 HydrophobicContact CG2-CD1 3.81Å; T564-R602 PolarHBondContact O-NH1 3.34Å
565	K	84.3	Confident	81.9	Confident	92 Å²	92	59.2 Å²	59.2	40%	0.4	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	148.9	-174.8	-62.3	-178	-176.5	179.3	0	111.5	Y562 T563 L567 V579	Y562-K565 WeakPolarHBondContact O-CE 3.44Å; T563-K565 PolarHBondContact O-N 3.44Å; K565-L567 HydrophobicContact CB-CD2 4.46Å; K565-V579 PolarHBondContact N-O 3.05Å; K565-V579 PolarHBondContact O-N 3.05Å
566	I	88.3	Confident	81.3	Confident	19 Å²	19	61.3 Å²	61.3	10%	0.097	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	123.8	164.2	-58.6	172.5	0	0	0	107	P576 C585 L588 G589 L592 Y598	I566-P576 HydrophobicContact CG2-CB 3.73Å; I566-C585 WeakPolarHBondContact CD1-O 3.44Å; I566-L588 HydrophobicContact CD1-CB 3.86Å; I566-L588 HydrophobicContact CG1-CB 4.37Å; I566-G589 VanDerWaalsContact CD1-N 3.33Å; I566-L592 HydrophobicContact CB-CD1 4.24Å; I566-L592 HydrophobicContact CD1-CD1 3.72Å; I566-L592 HydrophobicContact CG2-CD1 4.15Å; I566-Y598 PolarHBondContact N-OH 2.97Å; I566-Y598 PolarHBondContact O-OH 3.11Å
567	L	84.4	Confident	80.6	Confident	74 Å²	74	65.4 Å²	65.4	39%	0.387	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	154.1	178.1	-61.2	179.2	0	0	0	109.9	K565 P576 K577 V579	K565-L567 HydrophobicContact CB-CD2 4.46Å; L567-P576 CarbonylContact O-C 3.48Å; L567-P576 WeakPolarHBondContact O-CA 3.44Å; L567-K577 HydrophobicContact CB-CB 4.24Å; L567-K577 PolarHBondContact N-O 2.76Å; L567-K577 PolarHBondContact O-N 3.09Å; L567-V579 HydrophobicContact CD1-CG2 3.78Å; L567-V579 HydrophobicContact CG-CG2 4.31Å
568	P	83.9	Confident	79.8	Confident	104 Å²	104	67 Å²	67	68%	0.675	38%	0.379	S	S	*	.			trans	-56.9	156.7	169.1	26	-35	0	0	0	111.1
569	P	80.9	Confident	78.9	Confident	46 Å²	46	69.8 Å²	69.8	30%	0.299	40%	0.396	S	S	.	.			trans	-65.4	147.2	177.7	30	-37.3	0	0	0	111.6	K571 G574 L575	P569-K571 WeakPolarHBondContact CB-O 3.36Å; P569-K571 WeakPolarHBondContact CG-O 3.41Å; P569-K571 PolarHBondContact O-N 3.2Å; P569-K571 VanDerWaalsContact O-N 3.15Å; P569-G574 VanDerWaalsContact CB-C 3.5Å; P569-G574 WeakPolarHBondContact CB-O 3.46Å; P569-G574 WeakPolarHBondContact CG-O 3.48Å; P569-L575 WeakPolarHBondContact CB-O 3.25Å
570	D	72.1	Confident	78.1	Confident	127 Å²	127	71.9 Å²	71.9	68%	0.679	42%	0.417	S	S	*	.	S	Bend	trans	-70.2	-5.5	176	-55.6	-53.5	0	0	0	113	K577	D570-K577 IonicContact OD1-NZ 2.93Å; D570-K577 PolarHBondContact OD1-NZ 2.96Å; D570-K577 IonicContact OD2-NZ 3.42Å; D570-K577 PolarHBondContact OD2-NZ 2.79Å
571	K	74.8	Confident	77.4	Confident	169 Å²	169	75.8 Å²	75.8	74%	0.735	44%	0.438	S	S	*	.	S	Bend	trans	-141.3	143	177.9	-65	179.2	-178.3	173.6	0	109.9	P569 G573 G574	P569-K571 WeakPolarHBondContact CB-O 3.36Å; P569-K571 WeakPolarHBondContact CG-O 3.41Å; P569-K571 PolarHBondContact O-N 3.2Å; P569-K571 VanDerWaalsContact O-N 3.15Å; K571-G573 PolarHBondContact O-N 2.95Å; K571-G574 PolarHBondContact O-N 3.4Å
572	E	63	Low	77.4	Confident	204 Å²	204	77.9 Å²	77.9	95%	0.953	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	137.5	172.2	-76.5	-174.1	127.4	0	0	111.4	G574	E572-G574 PolarHBondContact O-N 2.76Å
573	G	68.1	Low	77.4	Confident	88 Å²	88	77.3 Å²	77.3	91%	0.907	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	-3	-174.4	0	0	0	0	0	115.7	K571	K571-G573 PolarHBondContact O-N 2.95Å
574	G	67.2	Low	77.9	Confident	35 Å²	35	73 Å²	73	36%	0.361	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-73.4	165.7	175.9	0	0	0	0	0	114.1	P569 K571 E572	P569-G574 VanDerWaalsContact CB-C 3.5Å; P569-G574 WeakPolarHBondContact CB-O 3.46Å; P569-G574 WeakPolarHBondContact CG-O 3.48Å; K571-G574 PolarHBondContact O-N 3.4Å; E572-G574 PolarHBondContact O-N 2.76Å
575	L	72.4	Confident	78.2	Confident	111 Å²	111	73 Å²	73	58%	0.581	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-76.1	142	174	-65.1	176.2	0	0	0	111.7	T520 P569	T520-L575 HydrophobicContact CG2-CD1 4.35Å; P569-L575 WeakPolarHBondContact CB-O 3.25Å
576	P	82.8	Confident	78.5	Confident	46 Å²	46	68.6 Å²	68.6	30%	0.299	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-55.5	138.2	174.7	-26.1	34.3	0	0	0	113.2	I566 L567	I566-P576 HydrophobicContact CG2-CB 3.73Å; L567-P576 CarbonylContact O-C 3.48Å; L567-P576 WeakPolarHBondContact O-CA 3.44Å
577	K	80.1	Confident	78.7	Confident	87 Å²	87	67.8 Å²	67.8	38%	0.378	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	121.7	-172.9	-176.7	176.8	-168.7	161.1	0	110.5	L567 D570	L567-K577 HydrophobicContact CB-CB 4.24Å; L567-K577 PolarHBondContact N-O 2.76Å; L567-K577 PolarHBondContact O-N 3.09Å; D570-K577 IonicContact OD1-NZ 2.93Å; D570-K577 PolarHBondContact OD1-NZ 2.96Å; D570-K577 IonicContact OD2-NZ 3.42Å; D570-K577 PolarHBondContact OD2-NZ 2.79Å
578	Q	78.2	Confident	79.2	Confident	35 Å²	35	64.2 Å²	64.2	16%	0.164	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	122.7	178	-69.6	-171.1	-22.8	0	0	110.5	R522 M523 C585	R522-Q578 HydrophobicContact CG-CG 3.97Å; M523-Q578 PolarHBondContact O-NE2 3.1Å; Q578-C585 HydrophobicContact CB-CB 3.81Å; Q578-C585 HydrophobicContact CG-CB 3.56Å
579	V	75.8	Confident	79.6	Confident	60 Å²	60	59.6 Å²	59.6	36%	0.364	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.8	176.4	-178.8	0	0	0	0	108.6	T564 K565 L567 C585	T564-V579 CarbonylContact C-O 3.35Å; T564-V579 VanDerWaalsContact CA-O 3.23Å; T564-V579 WeakPolarHBondContact CA-O 3.43Å; K565-V579 PolarHBondContact N-O 3.05Å; K565-V579 PolarHBondContact O-N 3.05Å; L567-V579 HydrophobicContact CD1-CG2 3.78Å; L567-V579 HydrophobicContact CG-CG2 4.31Å; V579-C585 PolarHBondContact O-SG 2.92Å
580	G	74.1	Confident	80.3	Confident	45 Å²	45	57.5 Å²	57.5	46%	0.464	33%	0.33	S	S	.	.	S	Bend	trans	89.1	-151.2	-175.7	0	0	0	0	0	112.9	K582	G580-K582 PolarHBondContact O-N 3.23Å
581	N	75.1	Confident	81.3	Confident	84 Å²	84	51.4 Å²	51.4	45%	0.449	30%	0.297	S	S	.	.			trans	-74.7	116.7	-176.6	180	-29.7	0	0	0	110.4	T564 T583 E584 C585	T564-N581 PolarHBondContact OG1-N 3.37Å; N581-T583 VanDerWaalsContact C-N 3.26Å; N581-T583 PolarHBondContact O-N 2.91Å; N581-T583 WeakPolarHBondContact OD1-CB 3.38Å; N581-T583 PolarHBondContact OD1-N 3.34Å; N581-E584 HydrophobicContact CB-CB 4.38Å; N581-E584 HydrophobicContact CB-CG 3.78Å; N581-E584 WeakPolarHBondContact O-CA 3.27Å; N581-E584 WeakPolarHBondContact O-CB 3.29Å; N581-E584 PolarHBondContact O-N 3.23Å; N581-C585 PolarHBondContact O-N 3.17Å; N581-C585 PolarHBondContact O-SG 2.81Å; N581-C585 VanDerWaalsContact O-SG 3.35Å
582	K	79.3	Confident	82.2	Confident	74 Å²	74	46.6 Å²	46.6	32%	0.322	28%	0.279	S	S	.	.	H	α-helix	trans	-54.9	-38	-176.6	-57.3	-169.7	178.1	-165.9	0	113.2	N521 M523 G580 E584 C585 G586	N521-K582 PolarHBondContact ND2-NZ 3.37Å; N521-K582 WeakPolarHBondContact O-CD 3.36Å; N521-K582 PolarHBondContact O-NZ 3.43Å; N521-K582 PolarHBondContact OD1-NZ 2.92Å; M523-K582 HydrophobicContact CB-CB 4.31Å; M523-K582 VanDerWaalsContact CB-O 3.31Å; M523-K582 WeakPolarHBondContact CB-O 3.38Å; M523-K582 HydrophobicContact CG-CB 3.8Å; G580-K582 PolarHBondContact O-N 3.23Å; K582-E584 VanDerWaalsContact C-N 3.29Å; K582-E584 PolarHBondContact O-N 3.45Å; K582-C585 CarbonylContact O-C 3.12Å; K582-C585 WeakPolarHBondContact O-CA 3.37Å; K582-C585 WeakPolarHBondContact O-CB 3.3Å; K582-C585 PolarHBondContact O-N 3.09Å; K582-C585 VanDerWaalsContact O-N 3.1Å; K582-G586 PolarHBondContact O-N 2.64Å
583	T	82.8	Confident	83.5	Confident	20 Å²	20	40.2 Å²	40.2	12%	0.123	25%	0.252	C	S	.	.	H	α-helix	trans	-65.2	-36	179.1	-48.3	0	0	0	0	111.3	N581 G586 L587 R684 I686 I719	N581-T583 VanDerWaalsContact C-N 3.26Å; N581-T583 PolarHBondContact O-N 2.91Å; N581-T583 WeakPolarHBondContact OD1-CB 3.38Å; N581-T583 PolarHBondContact OD1-N 3.34Å; T583-G586 PolarHBondContact O-N 3.26Å; T583-L587 PolarHBondContact O-N 3.36Å; T583-R684 PolarHBondContact OG1-NH1 2.92Å; T583-I686 HydrophobicContact CG2-CD1 4.22Å; T583-I686 HydrophobicContact CG2-CG1 4.1Å; T583-I719 HydrophobicContact CG2-CD1 3.98Å
584	E	87.4	Confident	84.7	Confident	12 Å²	12	36.1 Å²	36.1	6%	0.056	21%	0.209	C	C	.	.	H	α-helix	trans	-71.3	-36.8	172.6	-49.6	-171.7	127.5	0	0	111.6	A561 T564 N581 K582 G586 L587 L588 K639	A561-E584 PolarHBondContact N-OE2 2.87Å; T564-E584 WeakPolarHBondContact CB-OE2 3.44Å; T564-E584 HydrophobicContact CG2-CB 3.61Å; T564-E584 PolarHBondContact OG1-OE2 2.95Å; N581-E584 HydrophobicContact CB-CB 4.38Å; N581-E584 HydrophobicContact CB-CG 3.78Å; N581-E584 WeakPolarHBondContact O-CA 3.27Å; N581-E584 WeakPolarHBondContact O-CB 3.29Å; N581-E584 PolarHBondContact O-N 3.23Å; K582-E584 VanDerWaalsContact C-N 3.29Å; K582-E584 PolarHBondContact O-N 3.45Å; E584-G586 PolarHBondContact O-N 2.67Å; E584-L587 PolarHBondContact O-N 3.48Å; E584-L587 VanDerWaalsContact O-N 3.11Å; E584-L588 WeakPolarHBondContact O-CG 3.43Å; E584-L588 PolarHBondContact O-N 3.02Å; E584-K639 VanDerWaalsContact CD-NZ 3.33Å; E584-K639 VanDerWaalsContact CG-NZ 3.33Å; E584-K639 WeakPolarHBondContact OE1-CE 3.3Å; E584-K639 IonicContact OE1-NZ 3.33Å; E584-K639 PolarHBondContact OE1-NZ 2.85Å
585	C	87.6	Confident	85.9	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-31.9	172.2	-58.7	0	0	0	0	112.4	T564 I566 Q578 V579 N581 K582 G589	T564-C585 HydrophobicContact CG2-CB 4.49Å; T564-C585 WeakPolarHBondContact CG2-SG 3.49Å; I566-C585 WeakPolarHBondContact CD1-O 3.44Å; Q578-C585 HydrophobicContact CB-CB 3.81Å; Q578-C585 HydrophobicContact CG-CB 3.56Å; V579-C585 PolarHBondContact O-SG 2.92Å; N581-C585 PolarHBondContact O-N 3.17Å; N581-C585 PolarHBondContact O-SG 2.81Å; N581-C585 VanDerWaalsContact O-SG 3.35Å; K582-C585 CarbonylContact O-C 3.12Å; K582-C585 WeakPolarHBondContact O-CA 3.37Å; K582-C585 WeakPolarHBondContact O-CB 3.3Å; K582-C585 PolarHBondContact O-N 3.09Å; K582-C585 VanDerWaalsContact O-N 3.1Å; C585-G589 PolarHBondContact O-N 2.62Å
586	G	89.9	Confident	86.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66	-37.7	171.8	0	0	0	0	0	112.7	M523 K582 T583 E584 G589 L590	M523-G586 WeakPolarHBondContact O-CA 3.17Å; K582-G586 PolarHBondContact O-N 2.64Å; T583-G586 PolarHBondContact O-N 3.26Å; E584-G586 PolarHBondContact O-N 2.67Å; G586-G589 PolarHBondContact O-N 3.34Å; G586-L590 PolarHBondContact O-N 2.71Å; G586-L590 VanDerWaalsContact O-N 3.09Å
587	L	93.3	Very high	87.3	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-72.4	-42.6	174.2	-65.7	171.2	0	0	0	112.4	I556 T583 E584 G589 L590 V591 K639 I686 V717 I719	I556-L587 HydrophobicContact CD1-CB 4.34Å; I556-L587 HydrophobicContact CD1-CD2 4.37Å; I556-L587 HydrophobicContact CG1-CB 4.36Å; I556-L587 HydrophobicContact CG2-CB 3.74Å; I556-L587 WeakPolarHBondContact CG2-O 3.39Å; T583-L587 PolarHBondContact O-N 3.36Å; E584-L587 PolarHBondContact O-N 3.48Å; E584-L587 VanDerWaalsContact O-N 3.11Å; L587-G589 PolarHBondContact O-N 3.03Å; L587-L590 VanDerWaalsContact O-CB 3.31Å; L587-L590 WeakPolarHBondContact O-CB 3.43Å; L587-L590 PolarHBondContact O-N 3.04Å; L587-V591 PolarHBondContact O-N 3.36Å; L587-K639 HydrophobicContact CD1-CD 4Å; L587-I686 HydrophobicContact CD1-CG2 4.26Å; L587-V717 HydrophobicContact CD2-CB 4.2Å; L587-V717 HydrophobicContact CD2-CG1 4.32Å; L587-V717 HydrophobicContact CD2-CG2 4.06Å; L587-I719 HydrophobicContact CD2-CD1 3.85Å; L587-I719 HydrophobicContact CG-CD1 3.91Å
588	L	94.3	Very high	87.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-31.6	171.9	-67	173.9	0	0	0	111.1	I556 T564 I566 E584 V591 L592 Y598	I556-L588 HydrophobicContact CG2-CD2 4.1Å; T564-L588 HydrophobicContact CG2-CD1 3.81Å; I566-L588 HydrophobicContact CD1-CB 3.86Å; I566-L588 HydrophobicContact CG1-CB 4.37Å; E584-L588 WeakPolarHBondContact O-CG 3.43Å; E584-L588 PolarHBondContact O-N 3.02Å; L588-V591 PolarHBondContact O-N 3.11Å; L588-L592 PolarHBondContact O-N 3.09Å; L588-Y598 HydrophobicContact CB-CD1 4.07Å; L588-Y598 HydrophobicContact CB-CE1 3.99Å; L588-Y598 HydrophobicContact CD1-CE1 4.48Å; L588-Y598 HydrophobicContact CD2-CD1 3.84Å; L588-Y598 HydrophobicContact CD2-CD2 4.26Å; L588-Y598 HydrophobicContact CD2-CE1 4.34Å; L588-Y598 HydrophobicContact CD2-CG 3.79Å; L588-Y598 HydrophobicContact CG-CD1 4.43Å
589	G	92.6	Very high	88.6	Confident	7 Å²	7	41.2 Å²	41.2	7%	0.072	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-48.8	171.3	0	0	0	0	0	111.4	I566 C585 G586 L587 V591 L592 D593	I566-G589 VanDerWaalsContact CD1-N 3.33Å; C585-G589 PolarHBondContact O-N 2.62Å; G586-G589 PolarHBondContact O-N 3.34Å; L587-G589 PolarHBondContact O-N 3.03Å; G589-V591 PolarHBondContact O-N 2.69Å; G589-L592 WeakPolarHBondContact O-CA 3.36Å; G589-L592 WeakPolarHBondContact O-CB 3.42Å; G589-L592 PolarHBondContact O-N 2.75Å; G589-D593 VanDerWaalsContact O-CG 3.3Å; G589-D593 PolarHBondContact O-N 2.85Å
590	L	94.6	Very high	89.4	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-53.5	-38.9	174.3	-178.7	61	0	0	0	112.8	A525 I538 I556 G586 L587 D593 L594 V717	A525-L590 HydrophobicContact CB-CB 3.78Å; A525-L590 HydrophobicContact CB-CD1 4.07Å; A525-L590 HydrophobicContact CB-CD2 4.37Å; A525-L590 HydrophobicContact CB-CG 4.29Å; I538-L590 HydrophobicContact CB-CD1 4.49Å; I538-L590 HydrophobicContact CD1-CD1 3.61Å; I538-L590 HydrophobicContact CG1-CD1 4.03Å; I538-L590 HydrophobicContact CG2-CD1 3.66Å; I556-L590 HydrophobicContact CD1-CD2 4.22Å; G586-L590 PolarHBondContact O-N 2.71Å; G586-L590 VanDerWaalsContact O-N 3.09Å; L587-L590 VanDerWaalsContact O-CB 3.31Å; L587-L590 WeakPolarHBondContact O-CB 3.43Å; L587-L590 PolarHBondContact O-N 3.04Å; L590-D593 PolarHBondContact O-N 3.41Å; L590-L594 HydrophobicContact CD1-CD1 4.14Å; L590-L594 HydrophobicContact CD1-CG 4.24Å; L590-L594 HydrophobicContact CG-CD1 4.02Å; L590-L594 VanDerWaalsContact O-CB 3.3Å; L590-L594 WeakPolarHBondContact O-CB 3.29Å; L590-L594 WeakPolarHBondContact O-CG 3.31Å; L590-L594 PolarHBondContact O-N 2.76Å; L590-V717 HydrophobicContact CD2-CG1 3.98Å; L590-V717 HydrophobicContact CD2-CG2 3.69Å
591	V	94.8	Very high	90.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65	-42.8	176.8	173.7	0	0	0	0	111.6	I553 I556 L587 L588 G589 L594 R596	I553-V591 HydrophobicContact CG1-CG1 4.45Å; I553-V591 HydrophobicContact CG2-CG1 3.85Å; I556-V591 HydrophobicContact CB-CG2 3.93Å; I556-V591 HydrophobicContact CD1-CG2 4.12Å; I556-V591 HydrophobicContact CG2-CG2 3.67Å; L587-V591 PolarHBondContact O-N 3.36Å; L588-V591 PolarHBondContact O-N 3.11Å; G589-V591 PolarHBondContact O-N 2.69Å; V591-L594 CarbonylContact O-C 3.58Å; V591-L594 PolarHBondContact O-N 3.27Å; V591-R596 CarbonylContact C-O 3.51Å; V591-R596 HydrophobicContact CG1-CB 4.12Å; V591-R596 PolarHBondContact O-N 3.42Å
592	L	92.7	Very high	91	Very high	67 Å²	67	36.5 Å²	36.5	35%	0.351	18%	0.177	S	C	.	.	H	α-helix	trans	-67.1	-40.4	175.4	-62.1	177.6	0	0	0	112	I566 L588 G589 L594 K595 Y598	I566-L592 HydrophobicContact CB-CD1 4.24Å; I566-L592 HydrophobicContact CD1-CD1 3.72Å; I566-L592 HydrophobicContact CG2-CD1 4.15Å; L588-L592 PolarHBondContact O-N 3.09Å; G589-L592 WeakPolarHBondContact O-CA 3.36Å; G589-L592 WeakPolarHBondContact O-CB 3.42Å; G589-L592 PolarHBondContact O-N 2.75Å; L592-L594 VanDerWaalsContact C-N 3.3Å; L592-L594 PolarHBondContact O-N 2.79Å; L592-K595 WeakPolarHBondContact O-CA 3.48Å; L592-K595 PolarHBondContact O-N 3.46Å; L592-Y598 HydrophobicContact CD1-CE1 4.25Å; L592-Y598 HydrophobicContact CD2-CD1 4.2Å; L592-Y598 HydrophobicContact CD2-CE1 4.18Å; L592-Y598 HydrophobicContact CG-CD1 4.37Å; L592-Y598 HydrophobicContact CG-CE1 4.23Å
593	D	91.5	Very high	91.6	Very high	71 Å²	71	38 Å²	38	38%	0.38	19%	0.189	S	C	.	.	H	α-helix	trans	-64.1	-38	177.9	-67.2	-35.2	0	0	0	110.8	I538 G589 L590 K595	I538-D593 HydrophobicContact CG2-CB 4.36Å; G589-D593 VanDerWaalsContact O-CG 3.3Å; G589-D593 PolarHBondContact O-N 2.85Å; L590-D593 PolarHBondContact O-N 3.41Å; D593-K595 WeakPolarHBondContact O-CD 3.33Å; D593-K595 WeakPolarHBondContact O-CE 3.33Å; D593-K595 PolarHBondContact O-N 3.34Å; D593-K595 VanDerWaalsContact O-N 3.08Å; D593-K595 PolarHBondContact O-NZ 3.32Å
594	L	92.8	Very high	91.9	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	17.5	167.8	-68.5	172	0	0	0	114.4	I538 P539 P541 I544 L549 L552 L590 V591 L592 R596	I538-L594 HydrophobicContact CG2-CD2 4.17Å; I538-L594 HydrophobicContact CG2-CG 4.39Å; P539-L594 WeakPolarHBondContact O-CD2 3.48Å; P541-L594 VanDerWaalsContact CG-C 3.5Å; P541-L594 HydrophobicContact CG-CB 4.43Å; P541-L594 HydrophobicContact CG-CD2 4.44Å; P541-L594 WeakPolarHBondContact CG-O 3.46Å; I544-L594 HydrophobicContact CD1-CD1 4.43Å; I544-L594 HydrophobicContact CD1-CD2 3.82Å; L549-L594 HydrophobicContact CD1-CB 4.5Å; L549-L594 HydrophobicContact CD1-CD1 4.05Å; L552-L594 HydrophobicContact CD2-CD1 4.2Å; L590-L594 HydrophobicContact CD1-CD1 4.14Å; L590-L594 HydrophobicContact CD1-CG 4.24Å; L590-L594 HydrophobicContact CG-CD1 4.02Å; L590-L594 VanDerWaalsContact O-CB 3.3Å; L590-L594 WeakPolarHBondContact O-CB 3.29Å; L590-L594 WeakPolarHBondContact O-CG 3.31Å; L590-L594 PolarHBondContact O-N 2.76Å; V591-L594 CarbonylContact O-C 3.58Å; V591-L594 PolarHBondContact O-N 3.27Å; L592-L594 VanDerWaalsContact C-N 3.3Å; L592-L594 PolarHBondContact O-N 2.79Å; L594-R596 VanDerWaalsContact C-N 3.32Å; L594-R596 WeakPolarHBondContact O-CG 3.07Å; L594-R596 PolarHBondContact O-N 3.03Å
595	K	92.6	Very high	92	Very high	138 Å²	138	44.7 Å²	44.7	60%	0.6	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	41.3	172.5	-42.6	-53.6	175.1	-148.4	0	113.5	P541 L592 D593	P541-K595 HydrophobicContact CG-CB 4.18Å; P541-K595 HydrophobicContact CG-CG 3.98Å; L592-K595 WeakPolarHBondContact O-CA 3.48Å; L592-K595 PolarHBondContact O-N 3.46Å; D593-K595 WeakPolarHBondContact O-CD 3.33Å; D593-K595 WeakPolarHBondContact O-CE 3.33Å; D593-K595 PolarHBondContact O-N 3.34Å; D593-K595 VanDerWaalsContact O-N 3.08Å; D593-K595 PolarHBondContact O-NZ 3.32Å
596	R	92.4	Very high	91.9	Very high	118 Å²	118	46.6 Å²	46.6	45%	0.445	23%	0.232	S	C	.	.			trans	-134.7	147.6	179.6	-70.9	-80.6	-171.4	-80.5	2	109.8	I553 V591 L594	I553-R596 HydrophobicContact CD1-CB 3.91Å; I553-R596 HydrophobicContact CD1-CG 3.54Å; I553-R596 HydrophobicContact CG1-CB 4.42Å; V591-R596 CarbonylContact C-O 3.51Å; V591-R596 HydrophobicContact CG1-CB 4.12Å; V591-R596 PolarHBondContact O-N 3.42Å; L594-R596 VanDerWaalsContact C-N 3.32Å; L594-R596 WeakPolarHBondContact O-CG 3.07Å; L594-R596 PolarHBondContact O-N 3.03Å
597	D	91.6	Very high	91.5	Very high	87 Å²	87	52.3 Å²	52.3	47%	0.465	26%	0.259	S	S	.	.			trans	-102.4	129.7	177.9	-172.4	-2.9	0	0	0	110	Q599 P600	D597-Q599 WeakPolarHBondContact OD1-CB 3.4Å; D597-Q599 PolarHBondContact OD1-N 3.48Å; D597-P600 HydrophobicContact CB-CG 4.25Å; D597-P600 WeakPolarHBondContact OD2-CD 3.25Å
598	Y	93.4	Very high	90.9	Very high	13 Å²	13	61.2 Å²	61.2	5%	0.051	30%	0.3	C	S	.	.	S	Bend	trans	-80.3	-21.6	176.6	61.5	-106.9	0	0	0	112.8	S557 I566 L588 L592 I601 R602	S557-Y598 VanDerWaalsContact OG-CB 3.27Å; S557-Y598 WeakPolarHBondContact OG-CB 3.41Å; I566-Y598 PolarHBondContact N-OH 2.97Å; I566-Y598 PolarHBondContact O-OH 3.11Å; L588-Y598 HydrophobicContact CB-CD1 4.07Å; L588-Y598 HydrophobicContact CB-CE1 3.99Å; L588-Y598 HydrophobicContact CD1-CE1 4.48Å; L588-Y598 HydrophobicContact CD2-CD1 3.84Å; L588-Y598 HydrophobicContact CD2-CD2 4.26Å; L588-Y598 HydrophobicContact CD2-CE1 4.34Å; L588-Y598 HydrophobicContact CD2-CG 3.79Å; L588-Y598 HydrophobicContact CG-CD1 4.43Å; L592-Y598 HydrophobicContact CD1-CE1 4.25Å; L592-Y598 HydrophobicContact CD2-CD1 4.2Å; L592-Y598 HydrophobicContact CD2-CE1 4.18Å; L592-Y598 HydrophobicContact CG-CD1 4.37Å; L592-Y598 HydrophobicContact CG-CE1 4.23Å; Y598-I601 PolarHBondContact O-N 3.34Å; Y598-R602 PolarHBondContact O-N 3.33Å
599	Q	91.6	Very high	90.5	Very high	64 Å²	64	67.4 Å²	67.4	30%	0.299	33%	0.327	S	S	.	.	H	α-helix	trans	-69.1	-40.4	-172.1	-168.5	61	49.6	0	0	113.1	D597 I601 R602 N603	D597-Q599 WeakPolarHBondContact OD1-CB 3.4Å; D597-Q599 PolarHBondContact OD1-N 3.48Å; Q599-I601 VanDerWaalsContact C-N 3.29Å; Q599-I601 PolarHBondContact O-N 3.47Å; Q599-R602 PolarHBondContact O-N 3.44Å; Q599-N603 PolarHBondContact NE2-OD1 3.3Å; Q599-N603 PolarHBondContact O-N 2.85Å; Q599-N603 PolarHBondContact O-OD1 3.08Å
600	P	93.6	Very high	90.2	Very high	59 Å²	59	68.4 Å²	68.4	38%	0.383	33%	0.331	S	S	.	.	H	α-helix	trans	-57.8	-38.1	173.2	-27.3	36	0	0	0	113.5	D597 N603 Q604	D597-P600 HydrophobicContact CB-CG 4.25Å; D597-P600 WeakPolarHBondContact OD2-CD 3.25Å; P600-N603 PolarHBondContact O-N 2.92Å; P600-Q604 WeakPolarHBondContact O-CG 3.39Å; P600-Q604 PolarHBondContact O-N 3.31Å
601	I	91.8	Very high	89.9	Confident	26 Å²	26	73.2 Å²	73.2	13%	0.133	35%	0.35	C	S	.	.	H	α-helix	trans	-66.3	-46.3	178.7	-62.2	168.5	0	0	0	110.1	I553 N554 I558 Y598 Q599 N603 Q604 I605	I553-I601 HydrophobicContact CG2-CD1 3.47Å; I553-I601 VanDerWaalsContact CG2-CD1 3.47Å; N554-I601 WeakPolarHBondContact OD1-CG2 3.21Å; I558-I601 HydrophobicContact CD1-CG2 4.2Å; I558-I601 HydrophobicContact CG1-CG2 4Å; Y598-I601 PolarHBondContact O-N 3.34Å; Q599-I601 VanDerWaalsContact C-N 3.29Å; Q599-I601 PolarHBondContact O-N 3.47Å; I601-N603 VanDerWaalsContact C-N 3.25Å; I601-N603 PolarHBondContact O-N 3.44Å; I601-Q604 PolarHBondContact O-N 3.29Å; I601-I605 PolarHBondContact O-N 3Å
602	R	91.3	Very high	89.6	Confident	5 Å²	5	76.2 Å²	76.2	2%	0.019	36%	0.363	C	S	.	.	H	α-helix	trans	-64.4	-25.3	174.4	-73.4	-177.7	168.3	-169.4	-19.6	113.8	S557 S560 A561 Y562 T564 Y598 Q599 I605 P606	S557-R602 PolarHBondContact O-NE 3.49Å; S560-R602 PolarHBondContact O-NH2 3.24Å; A561-R602 PolarHBondContact O-NH2 3.22Å; Y562-R602 HydrophobicContact CD1-CB 4.45Å; Y562-R602 HydrophobicContact CE1-CB 3.67Å; Y562-R602 HydrophobicContact CE1-CG 3.77Å; T564-R602 PolarHBondContact O-NH1 3.34Å; Y598-R602 PolarHBondContact O-N 3.33Å; Q599-R602 PolarHBondContact O-N 3.44Å; R602-I605 CarbonylContact O-C 3.58Å; R602-I605 VanDerWaalsContact O-C 3.3Å; R602-I605 VanDerWaalsContact O-O 3.06Å; R602-P606 WeakPolarHBondContact O-CA 3.31Å
603	N	90.8	Very high	89.2	Confident	106 Å²	106	76 Å²	76	57%	0.567	36%	0.364	S	S	*	.	H	α-helix	trans	-77.2	-34.5	173.5	-65.2	-9.5	0	0	0	111.7	Q599 P600 I601	Q599-N603 PolarHBondContact NE2-OD1 3.3Å; Q599-N603 PolarHBondContact O-N 2.85Å; Q599-N603 PolarHBondContact O-OD1 3.08Å; P600-N603 PolarHBondContact O-N 2.92Å; I601-N603 VanDerWaalsContact C-N 3.25Å; I601-N603 PolarHBondContact O-N 3.44Å
604	Q	89.8	Confident	89	Confident	135 Å²	135	72.9 Å²	72.9	63%	0.631	35%	0.347	S	S	*	.	H	α-helix	trans	-72.5	-41.1	176.7	-70	173.2	15.6	0	0	112	P600 I601 P606 K609	P600-Q604 WeakPolarHBondContact O-CG 3.39Å; P600-Q604 PolarHBondContact O-N 3.31Å; I601-Q604 PolarHBondContact O-N 3.29Å; Q604-P606 WeakPolarHBondContact O-CD 3.29Å; Q604-K609 PolarHBondContact O-NZ 2.74Å
605	I	89.1	Confident	88.5	Confident	38 Å²	38	76.9 Å²	76.9	20%	0.195	37%	0.371	C	S	.	.	S	Bend	trans	-115.2	83.3	175.9	-54.8	170.4	0	0	0	107.3	I558 Y562 I601 R602 K609 L610 I627	I558-I605 HydrophobicContact CD1-CD1 3.72Å; I558-I605 HydrophobicContact CG1-CD1 4.44Å; Y562-I605 PolarHBondContact OH-O 2.83Å; I601-I605 PolarHBondContact O-N 3Å; R602-I605 CarbonylContact O-C 3.58Å; R602-I605 VanDerWaalsContact O-C 3.3Å; R602-I605 VanDerWaalsContact O-O 3.06Å; I605-K609 HydrophobicContact CG2-CB 4.25Å; I605-L610 HydrophobicContact CG2-CD2 4.01Å; I605-I627 HydrophobicContact CD1-CD1 4.21Å; I605-I627 HydrophobicContact CG2-CG2 4.17Å
606	P	86	Confident	87.9	Confident	40 Å²	40	76 Å²	76	26%	0.26	37%	0.368	S	S	.	.			trans	-68.5	167	172.4	29.9	-36.2	0	0	0	111.4	R602 Q604 E608 K609	R602-P606 WeakPolarHBondContact O-CA 3.31Å; Q604-P606 WeakPolarHBondContact O-CD 3.29Å; P606-E608 PolarHBondContact O-N 2.71Å; P606-E608 VanDerWaalsContact O-N 3.15Å; P606-K609 HydrophobicContact CG-CD 4.3Å; P606-K609 HydrophobicContact CG-CG 4.01Å; P606-K609 PolarHBondContact O-N 3.2Å
607	E	81.6	Confident	87.1	Confident	120 Å²	120	73.5 Å²	73.5	56%	0.561	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-52.6	-36.5	-179.7	-171.7	161.9	-161.3	0	0	113	Y562 K609 L610	Y562-E607 HydrophobicContact CD1-CB 4.32Å; Y562-E607 HydrophobicContact CD2-CB 4.04Å; Y562-E607 HydrophobicContact CD2-CG 4.3Å; Y562-E607 HydrophobicContact CE2-CB 4.4Å; Y562-E607 HydrophobicContact CG-CB 4.05Å; E607-K609 PolarHBondContact O-N 3.05Å; E607-L610 HydrophobicContact CG-CD1 4.38Å; E607-L610 WeakPolarHBondContact O-CB 3.48Å; E607-L610 WeakPolarHBondContact O-CG 3.18Å; E607-L610 PolarHBondContact O-N 3.32Å; E607-L610 VanDerWaalsContact O-N 3.12Å
608	E	80.1	Confident	85.9	Confident	188 Å²	188	73.6 Å²	73.6	88%	0.879	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-65.6	-17.3	176.8	-60.1	175.4	-116.1	0	0	114.6	P606	P606-E608 PolarHBondContact O-N 2.71Å; P606-E608 VanDerWaalsContact O-N 3.15Å
609	K	85.4	Confident	84.8	Confident	131 Å²	131	79.3 Å²	79.3	57%	0.57	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-94.1	-1.4	174.8	-67.5	-168.9	-160	165.3	0	113.4	Q604 I605 P606 E607	Q604-K609 PolarHBondContact O-NZ 2.74Å; I605-K609 HydrophobicContact CG2-CB 4.25Å; P606-K609 HydrophobicContact CG-CD 4.3Å; P606-K609 HydrophobicContact CG-CG 4.01Å; P606-K609 PolarHBondContact O-N 3.2Å; E607-K609 PolarHBondContact O-N 3.05Å
610	L	86.8	Confident	84.2	Confident	28 Å²	28	77.7 Å²	77.7	15%	0.147	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	130.8	175.8	-57.2	-178.5	0	0	0	109.4	I558 Y562 I605 E607 V613 T625 I627	I558-L610 HydrophobicContact CG2-CD2 4.01Å; Y562-L610 HydrophobicContact CE2-CD1 3.99Å; I605-L610 HydrophobicContact CG2-CD2 4.01Å; E607-L610 HydrophobicContact CG-CD1 4.38Å; E607-L610 WeakPolarHBondContact O-CB 3.48Å; E607-L610 WeakPolarHBondContact O-CG 3.18Å; E607-L610 PolarHBondContact O-N 3.32Å; E607-L610 VanDerWaalsContact O-N 3.12Å; L610-V613 HydrophobicContact CB-CG2 4.17Å; L610-V613 HydrophobicContact CD1-CG2 3.82Å; L610-T625 HydrophobicContact CD1-CG2 4.05Å; L610-T625 HydrophobicContact CD2-CG2 3.75Å; L610-T625 HydrophobicContact CG-CG2 4.33Å; L610-I627 HydrophobicContact CD2-CG2 3.86Å
611	Y	89.3	Confident	83.8	Confident	102 Å²	102	79.5 Å²	79.5	40%	0.4	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-45.5	-174.8	-168.6	-103.3	0	0	0	112.1	V626 F634 E698 W701	Y611-V626 WeakPolarHBondContact CB-O 3.2Å; Y611-V626 HydrophobicContact CD1-CG1 4.25Å; Y611-V626 PolarHBondContact N-O 3.45Å; Y611-F634 HydrophobicContact CD1-CD1 4.09Å; Y611-F634 AromaticContact CD1-CE1 3.76Å; Y611-F634 HydrophobicContact CD1-CE1 3.76Å; Y611-F634 AromaticContact CD2-CE1 3.96Å; Y611-F634 HydrophobicContact CD2-CE1 3.96Å; Y611-F634 HydrophobicContact CE1-CD1 4.41Å; Y611-F634 AromaticContact CE1-CE1 3.72Å; Y611-F634 HydrophobicContact CE1-CE1 3.72Å; Y611-F634 HydrophobicContact CE1-CZ 4.27Å; Y611-F634 AromaticContact CE2-CE1 3.92Å; Y611-F634 HydrophobicContact CE2-CE1 3.92Å; Y611-F634 HydrophobicContact CG-CD1 4.22Å; Y611-F634 AromaticContact CG-CE1 3.88Å; Y611-F634 HydrophobicContact CG-CE1 3.88Å; Y611-F634 AromaticContact CZ-CE1 3.79Å; Y611-E698 PolarHBondContact OH-OE1 2.97Å; Y611-W701 HydrophobicContact CD1-CZ2 4.43Å; Y611-W701 AromaticContact CE1-CD1 3.83Å; Y611-W701 HydrophobicContact CE1-CD2 4.44Å; Y611-W701 AromaticContact CE1-CE2 3.81Å; Y611-W701 HydrophobicContact CE1-CG 4.44Å; Y611-W701 HydrophobicContact CE1-CZ2 4.31Å; Y611-W701 AromaticContact CE1-NE1 3.41Å
612	K	87.9	Confident	83.7	Confident	62 Å²	62	78.4 Å²	78.4	27%	0.27	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	139.6	173.6	-161.4	168.6	-170.3	172	0	110	Y614 V626 W701 D702	K612-Y614 HydrophobicContact CD-CE1 4.13Å; K612-Y614 HydrophobicContact CD-CE2 4.49Å; K612-V626 HydrophobicContact CB-CB 4.36Å; K612-V626 HydrophobicContact CB-CG2 4.34Å; K612-V626 PolarHBondContact O-N 2.99Å; K612-W701 HydrophobicContact CD-CB 3.77Å; K612-W701 HydrophobicContact CD-CG 4.48Å; K612-W701 VanDerWaalsContact NZ-C 3.3Å; K612-W701 PolarHBondContact NZ-O 3.32Å; K612-D702 IonicContact NZ-OD1 3.81Å; K612-D702 PolarHBondContact NZ-OD1 2.86Å
613	V	84.7	Confident	83.6	Confident	62 Å²	62	79.5 Å²	79.5	38%	0.376	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	111.9	176.2	-177.4	0	0	0	0	109.5	L610 T615 M623 T625	L610-V613 HydrophobicContact CB-CG2 4.17Å; L610-V613 HydrophobicContact CD1-CG2 3.82Å; V613-T615 HydrophobicContact CG1-CG2 4.5Å; V613-T615 PolarHBondContact O-N 3.1Å; V613-M623 HydrophobicContact CG1-CE 4.07Å; V613-T625 HydrophobicContact CG2-CG2 4.21Å
614	Y	85.6	Confident	83.7	Confident	6 Å²	6	74.4 Å²	74.4	2%	0.024	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	96.8	167.4	-56.8	-77.9	0	0	0	108.2	K612 M623 S624 V626 M636 W701 E704 I707	K612-Y614 HydrophobicContact CD-CE1 4.13Å; K612-Y614 HydrophobicContact CD-CE2 4.49Å; Y614-M623 CarbonylContact O-C 3.54Å; Y614-M623 WeakPolarHBondContact O-CA 3.38Å; Y614-M623 WeakPolarHBondContact O-CG 3.46Å; Y614-S624 WeakPolarHBondContact CA-O 3.3Å; Y614-S624 PolarHBondContact N-O 2.83Å; Y614-S624 PolarHBondContact O-N 3.24Å; Y614-V626 HydrophobicContact CD2-CG2 4.48Å; Y614-V626 HydrophobicContact CE2-CG2 3.96Å; Y614-M636 HydrophobicContact CE2-SD 4.37Å; Y614-W701 PolarHBondContact OH-O 3.33Å; Y614-E704 HydrophobicContact CD1-CG 4.11Å; Y614-E704 VanDerWaalsContact CD1-OE1 3.3Å; Y614-E704 WeakPolarHBondContact CD1-OE1 3.43Å; Y614-E704 HydrophobicContact CE1-CG 3.83Å; Y614-I707 HydrophobicContact CE2-CG2 4.18Å
615	T	83.3	Confident	83.9	Confident	86 Å²	86	68.1 Å²	68.1	53%	0.528	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	166.8	-180	54.2	0	0	0	0	112.8	V613 N617 R620	V613-T615 HydrophobicContact CG1-CG2 4.5Å; V613-T615 PolarHBondContact O-N 3.1Å; T615-N617 PolarHBondContact O-N 3.46Å; T615-R620 PolarHBondContact O-NE 2.92Å; T615-R620 PolarHBondContact O-NH2 2.89Å
616	F	79.3	Confident	84.1	Confident	119 Å²	119	66.3 Å²	66.3	52%	0.522	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	131.8	173.3	-179	-90.1	0	0	0	111	K621	F616-K621 HydrophobicContact CE2-CB 4.39Å
617	N	75.6	Confident	84.5	Confident	67 Å²	67	64.8 Å²	64.8	36%	0.358	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	132.1	170.7	157	-17.3	0	0	0	108.9	T615 V619 R620 K621	T615-N617 PolarHBondContact O-N 3.46Å; N617-V619 PolarHBondContact O-N 2.79Å; N617-V619 WeakPolarHBondContact OD1-CB 3.39Å; N617-V619 PolarHBondContact OD1-N 2.96Å; N617-R620 HydrophobicContact CB-CG 3.8Å; N617-R620 WeakPolarHBondContact O-CG 3.46Å; N617-R620 PolarHBondContact O-N 3.08Å; N617-R620 VanDerWaalsContact O-N 3.12Å; N617-K621 PolarHBondContact O-N 2.82Å
618	S	66.3	Low	84.9	Confident	88 Å²	88	64.9 Å²	64.9	62%	0.615	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.8	-171.7	-56.9	0	0	0	0	115.2	K621	S618-K621 WeakPolarHBondContact O-CG 3.42Å
619	V	71.4	Confident	85.3	Confident	133 Å²	133	57.2 Å²	57.2	81%	0.806	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-46.2	173.8	-175.7	0	0	0	0	110.3	N617	N617-V619 PolarHBondContact O-N 2.79Å; N617-V619 WeakPolarHBondContact OD1-CB 3.39Å; N617-V619 PolarHBondContact OD1-N 2.96Å
620	R	79.7	Confident	85.3	Confident	30 Å²	30	57.5 Å²	57.5	11%	0.113	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-17.4	178.7	65.2	170.9	168.2	-133.8	-0.3	114.6	T615 N617 S622 E704	T615-R620 PolarHBondContact O-NE 2.92Å; T615-R620 PolarHBondContact O-NH2 2.89Å; N617-R620 HydrophobicContact CB-CG 3.8Å; N617-R620 WeakPolarHBondContact O-CG 3.46Å; N617-R620 PolarHBondContact O-N 3.08Å; N617-R620 VanDerWaalsContact O-N 3.12Å; R620-S622 PolarHBondContact NE-O 3.03Å; R620-S622 WeakPolarHBondContact O-CB 3.28Å; R620-S622 PolarHBondContact O-N 3.29Å; R620-S622 PolarHBondContact O-OG 2.88Å; R620-E704 IonicContact CZ-OE1 2.76Å; R620-E704 IonicContact CZ-OE2 2.66Å; R620-E704 IonicContact NH1-OE1 2.91Å; R620-E704 PolarHBondContact NH1-OE1 3.23Å; R620-E704 IonicContact NH1-OE2 2.64Å; R620-E704 PolarHBondContact NH1-OE2 2.75Å; R620-E704 IonicContact NH2-OE1 2.68Å
621	K	85.1	Confident	85.2	Confident	98 Å²	98	63.8 Å²	63.8	43%	0.426	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	42	35.7	-175.5	-58.7	-170	-175.9	171.6	0	114.5	F616 N617 S618 G640 A641 I644	F616-K621 HydrophobicContact CE2-CB 4.39Å; N617-K621 PolarHBondContact O-N 2.82Å; S618-K621 WeakPolarHBondContact O-CG 3.42Å; K621-G640 VanDerWaalsContact O-CA 3.26Å; K621-G640 WeakPolarHBondContact O-CA 3.28Å; K621-A641 HydrophobicContact CB-CB 4.14Å; K621-A641 PolarHBondContact O-N 2.95Å; K621-A641 VanDerWaalsContact O-N 3.08Å; K621-I644 HydrophobicContact CB-CD1 3.78Å; K621-I644 HydrophobicContact CD-CD1 3.71Å; K621-I644 HydrophobicContact CG-CD1 3.99Å
622	S	88.6	Confident	84.9	Confident	3 Å²	3	60 Å²	60	2%	0.021	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	156.9	-174.7	45.9	0	0	0	0	110.8	R620 K639	R620-S622 PolarHBondContact NE-O 3.03Å; R620-S622 WeakPolarHBondContact O-CB 3.28Å; R620-S622 PolarHBondContact O-N 3.29Å; R620-S622 PolarHBondContact O-OG 2.88Å; S622-K639 CarbonylContact C-O 3.53Å; S622-K639 WeakPolarHBondContact CA-O 3.5Å; S622-K639 WeakPolarHBondContact CB-O 3.46Å
623	M	89.4	Confident	85.1	Confident	27 Å²	27	58.3 Å²	58.3	13%	0.133	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	136.8	178.5	-179.7	-179.8	-169.9	0	0	108	N559 V613 Y614 K639	N559-M623 PolarHBondContact ND2-O 3.21Å; V613-M623 HydrophobicContact CG1-CE 4.07Å; Y614-M623 CarbonylContact O-C 3.54Å; Y614-M623 WeakPolarHBondContact O-CA 3.38Å; Y614-M623 WeakPolarHBondContact O-CG 3.46Å; M623-K639 HydrophobicContact CB-CG 4.46Å; M623-K639 PolarHBondContact N-O 3.26Å; M623-K639 PolarHBondContact O-N 2.96Å
624	S	93.2	Very high	85.5	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	140.1	-177.9	-47.5	0	0	0	0	111.8	N559 Y614 Y637 S638 L708	N559-S624 WeakPolarHBondContact OD1-CA 3.08Å; Y614-S624 WeakPolarHBondContact CA-O 3.3Å; Y614-S624 PolarHBondContact N-O 2.83Å; Y614-S624 PolarHBondContact O-N 3.24Å; S624-Y637 CarbonylContact C-O 3.58Å; S624-Y637 WeakPolarHBondContact CA-O 3.4Å; S624-Y637 WeakPolarHBondContact CB-O 3.39Å; S624-S638 WeakPolarHBondContact OG-CB 3.27Å; S624-S638 PolarHBondContact OG-OG 3.49Å; S624-L708 WeakPolarHBondContact OG-CD2 3.43Å
625	T	93.1	Very high	85.9	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.012	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126.9	-176.9	-62.5	0	0	0	0	109.2	I558 N559 L610 V613 M636 Y637	I558-T625 HydrophobicContact CG2-CG2 3.87Å; N559-T625 WeakPolarHBondContact OD1-CB 3.46Å; N559-T625 PolarHBondContact OD1-N 3.12Å; N559-T625 VanDerWaalsContact OD1-N 3.11Å; N559-T625 PolarHBondContact OD1-OG1 2.81Å; L610-T625 HydrophobicContact CD1-CG2 4.05Å; L610-T625 HydrophobicContact CD2-CG2 3.75Å; L610-T625 HydrophobicContact CG-CG2 4.33Å; V613-T625 HydrophobicContact CG2-CG2 4.21Å; T625-M636 WeakPolarHBondContact O-CA 3.48Å; T625-Y637 PolarHBondContact N-O 3.42Å; T625-Y637 PolarHBondContact O-N 3.42Å
626	V	93.9	Very high	86.4	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.7	179.4	-173	0	0	0	0	109.4	Y611 K612 Y614 F634 M636 W701	Y611-V626 WeakPolarHBondContact CB-O 3.2Å; Y611-V626 HydrophobicContact CD1-CG1 4.25Å; Y611-V626 PolarHBondContact N-O 3.45Å; K612-V626 HydrophobicContact CB-CB 4.36Å; K612-V626 HydrophobicContact CB-CG2 4.34Å; K612-V626 PolarHBondContact O-N 2.99Å; Y614-V626 HydrophobicContact CD2-CG2 4.48Å; Y614-V626 HydrophobicContact CE2-CG2 3.96Å; V626-F634 HydrophobicContact CG1-CB 4.22Å; V626-F634 HydrophobicContact CG1-CD1 4.3Å; V626-M636 HydrophobicContact CG2-CB 4.13Å; V626-M636 HydrophobicContact CG2-CG 3.97Å; V626-M636 HydrophobicContact CG2-SD 4.35Å; V626-W701 HydrophobicContact CB-CZ3 4.46Å; V626-W701 HydrophobicContact CG1-CH2 3.63Å; V626-W701 HydrophobicContact CG1-CZ2 4.27Å; V626-W701 HydrophobicContact CG1-CZ3 3.79Å; V626-W701 HydrophobicContact CG2-CE3 4.22Å; V626-W701 HydrophobicContact CG2-CZ3 3.82Å
627	I	93.9	Very high	87.3	Confident	9 Å²	9	48.3 Å²	48.3	5%	0.046	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	151.9	169.1	59.2	162.6	0	0	0	110.2	I558 I605 L610 L629 F634 R635 Y637	I558-I627 HydrophobicContact CD1-CD1 4.3Å; I558-I627 HydrophobicContact CG2-CG2 3.79Å; I605-I627 HydrophobicContact CD1-CD1 4.21Å; I605-I627 HydrophobicContact CG2-CG2 4.17Å; L610-I627 HydrophobicContact CD2-CG2 3.86Å; I627-L629 HydrophobicContact CD1-CD2 4.16Å; I627-F634 WeakPolarHBondContact O-CA 3.46Å; I627-R635 HydrophobicContact CG1-CB 4.09Å; I627-R635 WeakPolarHBondContact CG1-O 3.31Å; I627-R635 PolarHBondContact N-O 3.41Å; I627-R635 PolarHBondContact O-N 3.01Å; I627-Y637 HydrophobicContact CD1-CE2 3.82Å; I627-Y637 HydrophobicContact CG1-CE2 4.15Å
628	K	90.7	Very high	88.2	Confident	121 Å²	121	45.2 Å²	45.2	53%	0.526	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	128	168.9	-168.5	167.1	-174.9	168.2	0	109.2	G632 F634	K628-G632 WeakPolarHBondContact CE-O 3.42Å; K628-F634 HydrophobicContact CB-CD1 4.05Å; K628-F634 HydrophobicContact CB-CE1 4.13Å; K628-F634 HydrophobicContact CD-CE1 3.93Å; K628-F634 HydrophobicContact CD-CZ 4.31Å; K628-F634 HydrophobicContact CG-CD1 4.14Å; K628-F634 HydrophobicContact CG-CE1 3.99Å
629	L	89	Confident	89.6	Confident	28 Å²	28	41.9 Å²	41.9	15%	0.147	22%	0.22	C	C	.	.			trans	-80.6	157.9	177.4	-64.3	175.9	0	0	0	110.3	I627 E631 G632 S633 R635	I627-L629 HydrophobicContact CD1-CD2 4.16Å; L629-E631 PolarHBondContact O-N 3.4Å; L629-E631 VanDerWaalsContact O-N 3.08Å; L629-G632 PolarHBondContact O-N 2.84Å; L629-S633 WeakPolarHBondContact CB-O 3.03Å; L629-S633 PolarHBondContact N-O 2.86Å; L629-R635 HydrophobicContact CD1-CB 4.13Å; L629-R635 HydrophobicContact CD2-CB 4.23Å; L629-R635 HydrophobicContact CG-CB 4.19Å
630	P	84.4	Confident	90.5	Very high	137 Å²	137	35.9 Å²	35.9	89%	0.89	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-25.4	179	-24.6	35	0	0	0	113.8	G632	P630-G632 PolarHBondContact O-N 2.68Å
631	E	84.8	Confident	90.9	Very high	160 Å²	160	35.4 Å²	35.4	75%	0.748	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-7.2	-179.5	-41.2	177.2	-119.7	0	0	113	L629 S633	L629-E631 PolarHBondContact O-N 3.4Å; L629-E631 VanDerWaalsContact O-N 3.08Å; E631-S633 VanDerWaalsContact C-N 3.33Å
632	G	82.9	Confident	91.3	Very high	21 Å²	21	30.7 Å²	30.7	22%	0.216	17%	0.167	C	C	.	.	S	Bend	trans	92	-20.7	-176.1	0	0	0	0	0	114.6	K628 L629 P630 S695	K628-G632 WeakPolarHBondContact CE-O 3.42Å; L629-G632 PolarHBondContact O-N 2.84Å; P630-G632 PolarHBondContact O-N 2.68Å; G632-S695 WeakPolarHBondContact O-CB 3.34Å
633	S	92	Very high	91.1	Very high	27 Å²	27	34 Å²	34	19%	0.189	18%	0.182	C	C	.	.			trans	-65.4	167.1	171.7	54.3	0	0	0	0	112.5	L629 E631 F693	L629-S633 WeakPolarHBondContact CB-O 3.03Å; L629-S633 PolarHBondContact N-O 2.86Å; E631-S633 VanDerWaalsContact C-N 3.33Å; S633-F693 WeakPolarHBondContact CB-O 3.43Å
634	F	93.1	Very high	91.1	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.5	-179.9	-57.3	-93.3	0	0	0	111.3	Y611 V626 I627 K628 D692 F693 E698 W701	Y611-F634 HydrophobicContact CD1-CD1 4.09Å; Y611-F634 AromaticContact CD1-CE1 3.76Å; Y611-F634 HydrophobicContact CD1-CE1 3.76Å; Y611-F634 AromaticContact CD2-CE1 3.96Å; Y611-F634 HydrophobicContact CD2-CE1 3.96Å; Y611-F634 HydrophobicContact CE1-CD1 4.41Å; Y611-F634 AromaticContact CE1-CE1 3.72Å; Y611-F634 HydrophobicContact CE1-CE1 3.72Å; Y611-F634 HydrophobicContact CE1-CZ 4.27Å; Y611-F634 AromaticContact CE2-CE1 3.92Å; Y611-F634 HydrophobicContact CE2-CE1 3.92Å; Y611-F634 HydrophobicContact CG-CD1 4.22Å; Y611-F634 AromaticContact CG-CE1 3.88Å; Y611-F634 HydrophobicContact CG-CE1 3.88Å; Y611-F634 AromaticContact CZ-CE1 3.79Å; V626-F634 HydrophobicContact CG1-CB 4.22Å; V626-F634 HydrophobicContact CG1-CD1 4.3Å; I627-F634 WeakPolarHBondContact O-CA 3.46Å; K628-F634 HydrophobicContact CB-CD1 4.05Å; K628-F634 HydrophobicContact CB-CE1 4.13Å; K628-F634 HydrophobicContact CD-CE1 3.93Å; K628-F634 HydrophobicContact CD-CZ 4.31Å; K628-F634 HydrophobicContact CG-CD1 4.14Å; K628-F634 HydrophobicContact CG-CE1 3.99Å; F634-D692 WeakPolarHBondContact O-CA 3.45Å; F634-F693 HydrophobicContact CB-CB 4.32Å; F634-F693 PolarHBondContact N-O 3.13Å; F634-F693 PolarHBondContact O-N 2.74Å; F634-E698 HydrophobicContact CE2-CG 4.19Å; F634-E698 HydrophobicContact CZ-CG 4.34Å; F634-W701 HydrophobicContact CB-CH2 3.82Å; F634-W701 HydrophobicContact CB-CZ2 4.02Å; F634-W701 HydrophobicContact CD1-CH2 4.39Å; F634-W701 AromaticContact CD1-CZ2 3.87Å; F634-W701 HydrophobicContact CD1-CZ2 3.87Å; F634-W701 HydrophobicContact CD2-CH2 4.43Å; F634-W701 AromaticContact CD2-CZ2 3.83Å; F634-W701 HydrophobicContact CD2-CZ2 3.83Å; F634-W701 HydrophobicContact CE1-CZ2 4.21Å; F634-W701 HydrophobicContact CE2-CZ2 4.17Å; F634-W701 HydrophobicContact CG-CH2 4Å; F634-W701 AromaticContact CG-CZ2 3.65Å; F634-W701 HydrophobicContact CG-CZ2 3.65Å; F634-W701 HydrophobicContact CZ-CZ2 4.34Å
635	R	94.1	Very high	91.1	Very high	53 Å²	53	34.8 Å²	34.8	20%	0.2	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.5	170.9	175.7	165.7	-71.5	159.4	3.6	109.6	I627 L629 Y637 D692	I627-R635 HydrophobicContact CG1-CB 4.09Å; I627-R635 WeakPolarHBondContact CG1-O 3.31Å; I627-R635 PolarHBondContact N-O 3.41Å; I627-R635 PolarHBondContact O-N 3.01Å; L629-R635 HydrophobicContact CD1-CB 4.13Å; L629-R635 HydrophobicContact CD2-CB 4.23Å; L629-R635 HydrophobicContact CG-CB 4.19Å; R635-Y637 WeakPolarHBondContact CD-OH 3.35Å; R635-Y637 HydrophobicContact CG-CD1 4.47Å; R635-Y637 HydrophobicContact CG-CE1 4.02Å; R635-Y637 HydrophobicContact CG-CE2 4.11Å; R635-D692 WeakPolarHBondContact CB-OD1 2.99Å; R635-D692 VanDerWaalsContact CG-OD1 3.3Å; R635-D692 WeakPolarHBondContact CG-OD1 3.37Å; R635-D692 IonicContact CZ-OD1 3.58Å; R635-D692 IonicContact CZ-OD2 3.97Å; R635-D692 IonicContact NE-OD1 3.59Å; R635-D692 PolarHBondContact NE-OD1 3.23Å; R635-D692 IonicContact NE-OD2 3.79Å; R635-D692 IonicContact NH2-OD1 2.75Å; R635-D692 PolarHBondContact NH2-OD1 2.99Å; R635-D692 IonicContact NH2-OD2 2.75Å; R635-D692 PolarHBondContact NH2-OD2 3.14Å
636	M	94.8	Very high	91.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.4	170.6	-175.9	178	63.2	0	0	109.7	Y614 T625 V626 Y690 R691 F693 I707 L708 L711	Y614-M636 HydrophobicContact CE2-SD 4.37Å; T625-M636 WeakPolarHBondContact O-CA 3.48Å; V626-M636 HydrophobicContact CG2-CB 4.13Å; V626-M636 HydrophobicContact CG2-CG 3.97Å; V626-M636 HydrophobicContact CG2-SD 4.35Å; M636-Y690 CarbonylContact O-C 3.49Å; M636-Y690 WeakPolarHBondContact O-CA 3.49Å; M636-Y690 WeakPolarHBondContact O-CB 3.41Å; M636-R691 HydrophobicContact CE-CB 4.31Å; M636-R691 PolarHBondContact N-O 3.49Å; M636-R691 PolarHBondContact O-N 2.87Å; M636-F693 HydrophobicContact CB-CE2 3.8Å; M636-F693 HydrophobicContact CE-CE2 4.18Å; M636-F693 HydrophobicContact CE-CZ 4.17Å; M636-I707 HydrophobicContact CE-CG2 4.19Å; M636-I707 WeakPolarHBondContact CE-O 3.31Å; M636-I707 HydrophobicContact SD-CG2 3.82Å; M636-L708 HydrophobicContact CE-CD2 4.13Å; M636-L708 HydrophobicContact SD-CD2 3.88Å; M636-L711 HydrophobicContact CE-CD2 3.56Å
637	Y	96.7	Very high	91	Very high	6 Å²	6	42.4 Å²	42.4	2%	0.024	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	141	166.1	-61.8	-68.5	0	0	0	109.3	A555 I558 N559 S624 T625 I627 R635	A555-Y637 VanDerWaalsContact CA-CD1 3.43Å; A555-Y637 HydrophobicContact CB-CD1 3.39Å; A555-Y637 HydrophobicContact CB-CE1 3.89Å; A555-Y637 HydrophobicContact CB-CG 4.04Å; I558-Y637 HydrophobicContact CB-CD2 4.2Å; I558-Y637 HydrophobicContact CB-CE2 4.36Å; I558-Y637 HydrophobicContact CD1-CD2 4.35Å; I558-Y637 HydrophobicContact CD1-CE2 3.66Å; I558-Y637 HydrophobicContact CG2-CD2 4.1Å; I558-Y637 HydrophobicContact CG2-CE2 4.39Å; N559-Y637 PolarHBondContact ND2-O 3.42Å; S624-Y637 CarbonylContact C-O 3.58Å; S624-Y637 WeakPolarHBondContact CA-O 3.4Å; S624-Y637 WeakPolarHBondContact CB-O 3.39Å; T625-Y637 PolarHBondContact N-O 3.42Å; T625-Y637 PolarHBondContact O-N 3.42Å; I627-Y637 HydrophobicContact CD1-CE2 3.82Å; I627-Y637 HydrophobicContact CG1-CE2 4.15Å; R635-Y637 WeakPolarHBondContact CD-OH 3.35Å; R635-Y637 HydrophobicContact CG-CD1 4.47Å; R635-Y637 HydrophobicContact CG-CE1 4.02Å; R635-Y637 HydrophobicContact CG-CE2 4.11Å
638	S	95.2	Very high	90.9	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143.4	-179.4	-161.9	0	0	0	0	111.1	N559 S624 A689	N559-S638 VanDerWaalsContact ND2-C 3.27Å; N559-S638 VanDerWaalsContact ND2-CA 3.34Å; N559-S638 WeakPolarHBondContact ND2-CA 3.4Å; S624-S638 WeakPolarHBondContact OG-CB 3.27Å; S624-S638 PolarHBondContact OG-OG 3.49Å; S638-A689 PolarHBondContact N-O 3.48Å; S638-A689 PolarHBondContact O-N 3.49Å; S638-A689 VanDerWaalsContact O-O 3.14Å
639	K	94.8	Very high	91.1	Very high	18 Å²	18	38.8 Å²	38.8	8%	0.078	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	148.4	174	76.7	-172.9	-176.8	-169.6	0	110.4	N559 S560 E584 L587 S622 M623 C687	N559-K639 PolarHBondContact ND2-N 3.16Å; N559-K639 VanDerWaalsContact ND2-N 3.14Å; N559-K639 VanDerWaalsContact O-CD 3.32Å; N559-K639 WeakPolarHBondContact O-CD 3.43Å; N559-K639 WeakPolarHBondContact O-CE 3.29Å; N559-K639 PolarHBondContact O-NZ 3.23Å; S560-K639 PolarHBondContact OG-NZ 2.96Å; E584-K639 VanDerWaalsContact CD-NZ 3.33Å; E584-K639 VanDerWaalsContact CG-NZ 3.33Å; E584-K639 WeakPolarHBondContact OE1-CE 3.3Å; E584-K639 IonicContact OE1-NZ 3.33Å; E584-K639 PolarHBondContact OE1-NZ 2.85Å; L587-K639 HydrophobicContact CD1-CD 4Å; S622-K639 CarbonylContact C-O 3.53Å; S622-K639 WeakPolarHBondContact CA-O 3.5Å; S622-K639 WeakPolarHBondContact CB-O 3.46Å; M623-K639 HydrophobicContact CB-CG 4.46Å; M623-K639 PolarHBondContact N-O 3.26Å; M623-K639 PolarHBondContact O-N 2.96Å; K639-C687 WeakPolarHBondContact CA-O 3.46Å
640	G	91.4	Very high	91.4	Very high	7 Å²	7	38.8 Å²	38.8	7%	0.072	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.3	-171.7	179.2	0	0	0	0	0	113.3	K621 S642 I686 C687	K621-G640 VanDerWaalsContact O-CA 3.26Å; K621-G640 WeakPolarHBondContact O-CA 3.28Å; G640-S642 PolarHBondContact O-N 3.31Å; G640-I686 WeakPolarHBondContact O-CA 3.37Å; G640-C687 PolarHBondContact N-O 2.91Å; G640-C687 PolarHBondContact O-N 2.63Å
641	A	88.6	Confident	91.9	Very high	19 Å²	19	35 Å²	35	16%	0.157	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	126	176.2	0	0	0	0	0	110.4	K621 E643 I644 V645	K621-A641 HydrophobicContact CB-CB 4.14Å; K621-A641 PolarHBondContact O-N 2.95Å; K621-A641 VanDerWaalsContact O-N 3.08Å; A641-E643 VanDerWaalsContact C-N 3.3Å; A641-E643 WeakPolarHBondContact CB-OE1 3.46Å; A641-E643 PolarHBondContact O-N 3.26Å; A641-I644 HydrophobicContact CB-CD1 4.28Å; A641-I644 PolarHBondContact O-N 3.39Å; A641-V645 PolarHBondContact O-N 3.01Å
642	S	91.9	Very high	92.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-55.3	-44.1	-168.3	61.7	0	0	0	0	113	G640 I644 V645 L646 I675 T685	G640-S642 PolarHBondContact O-N 3.31Å; S642-I644 PolarHBondContact O-N 3.4Å; S642-V645 PolarHBondContact O-N 3.19Å; S642-L646 VanDerWaalsContact O-CB 3.26Å; S642-L646 WeakPolarHBondContact O-CB 3.33Å; S642-L646 WeakPolarHBondContact O-CD1 3.4Å; S642-L646 WeakPolarHBondContact O-CG 3.35Å; S642-L646 PolarHBondContact O-N 2.96Å; S642-I675 WeakPolarHBondContact OG-CG2 3.35Å; S642-T685 PolarHBondContact N-O 3.4Å; S642-T685 VanDerWaalsContact N-O 3.14Å; S642-T685 VanDerWaalsContact OG-CB 3.3Å; S642-T685 WeakPolarHBondContact OG-CB 3.45Å; S642-T685 PolarHBondContact OG-OG1 2.72Å
643	E	85.7	Confident	92.9	Very high	73 Å²	73	26.7 Å²	26.7	34%	0.341	13%	0.132	S	C	.	.	H	α-helix	trans	-68.7	-12	-178.8	76.3	-70.6	174.7	0	0	114.6	A641 K647	A641-E643 VanDerWaalsContact C-N 3.3Å; A641-E643 WeakPolarHBondContact CB-OE1 3.46Å; A641-E643 PolarHBondContact O-N 3.26Å; E643-K647 VanDerWaalsContact O-CD 3.23Å; E643-K647 WeakPolarHBondContact O-CD 3.19Å; E643-K647 WeakPolarHBondContact O-CE 3.49Å; E643-K647 WeakPolarHBondContact O-CG 3.48Å
644	I	89.6	Confident	92.7	Very high	42 Å²	42	27.1 Å²	27.1	22%	0.215	13%	0.132	C	C	.	.	H	α-helix	trans	-101.9	-46.5	176.5	-69.6	168.4	0	0	0	110.8	K621 A641 S642 K647	K621-I644 HydrophobicContact CB-CD1 3.78Å; K621-I644 HydrophobicContact CD-CD1 3.71Å; K621-I644 HydrophobicContact CG-CD1 3.99Å; A641-I644 HydrophobicContact CB-CD1 4.28Å; A641-I644 PolarHBondContact O-N 3.39Å; S642-I644 PolarHBondContact O-N 3.4Å; I644-K647 PolarHBondContact O-N 3.33Å
645	V	92.6	Very high	92.4	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-67.2	-39.6	-180	178.3	0	0	0	0	110.8	A641 S642 K647 K648 C649 C687 A689 L711	A641-V645 PolarHBondContact O-N 3.01Å; S642-V645 PolarHBondContact O-N 3.19Å; V645-K647 VanDerWaalsContact C-N 3.31Å; V645-K647 PolarHBondContact O-N 3.08Å; V645-K648 CarbonylContact O-C 3.54Å; V645-K648 WeakPolarHBondContact O-CA 3.46Å; V645-K648 WeakPolarHBondContact O-CB 3.05Å; V645-K648 PolarHBondContact O-N 3Å; V645-C649 PolarHBondContact O-N 3.29Å; V645-C649 VanDerWaalsContact O-N 3.08Å; V645-C649 PolarHBondContact O-SG 2.92Å; V645-C687 HydrophobicContact CB-CB 3.94Å; V645-C687 HydrophobicContact CG1-CB 4.09Å; V645-A689 HydrophobicContact CG1-CB 3.93Å; V645-L711 HydrophobicContact CG1-CD1 4.18Å
646	L	92.5	Very high	92.1	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-66.8	-29.3	179.3	-68.4	170.5	0	0	0	113.8	S642 K648 C649 F662 K667 M670 I675 C687 A713 V716	S642-L646 VanDerWaalsContact O-CB 3.26Å; S642-L646 WeakPolarHBondContact O-CB 3.33Å; S642-L646 WeakPolarHBondContact O-CD1 3.4Å; S642-L646 WeakPolarHBondContact O-CG 3.35Å; S642-L646 PolarHBondContact O-N 2.96Å; L646-K648 PolarHBondContact O-N 2.68Å; L646-C649 PolarHBondContact O-N 3.13Å; L646-F662 HydrophobicContact CB-CE1 4.35Å; L646-F662 HydrophobicContact CD2-CE1 3.82Å; L646-F662 HydrophobicContact CD2-CZ 4.24Å; L646-K667 VanDerWaalsContact O-CE 3.24Å; L646-K667 WeakPolarHBondContact O-CE 3.23Å; L646-M670 HydrophobicContact CD1-CE 3.47Å; L646-M670 VanDerWaalsContact CD1-CE 3.47Å; L646-M670 HydrophobicContact CD2-CE 3.32Å; L646-M670 HydrophobicContact CG-CE 4.03Å; L646-I675 HydrophobicContact CD1-CD1 3.37Å; L646-C687 HydrophobicContact CD2-CB 4.46Å; L646-C687 VanDerWaalsContact CD2-SG 3.53Å; L646-C687 HydrophobicContact CG-CB 4.21Å; L646-A713 HydrophobicContact CD2-CB 3.91Å; L646-V716 HydrophobicContact CD1-CG2 4.06Å; L646-V716 HydrophobicContact CD2-CG2 4.46Å
647	K	91.6	Very high	91.6	Very high	157 Å²	157	35.8 Å²	35.8	68%	0.683	18%	0.181	S	C	*	.	H	α-helix	trans	-61.2	-39.6	171.7	-71.4	176.5	-177	176	0	110.8	E643 I644 V645 K667	E643-K647 VanDerWaalsContact O-CD 3.23Å; E643-K647 WeakPolarHBondContact O-CD 3.19Å; E643-K647 WeakPolarHBondContact O-CE 3.49Å; E643-K647 WeakPolarHBondContact O-CG 3.48Å; I644-K647 PolarHBondContact O-N 3.33Å; V645-K647 VanDerWaalsContact C-N 3.31Å; V645-K647 PolarHBondContact O-N 3.08Å; K647-K667 PolarHBondContact O-NZ 2.87Å; K647-K667 VanDerWaalsContact O-NZ 3.13Å
648	K	92.4	Very high	91.3	Very high	52 Å²	52	40.8 Å²	40.8	23%	0.226	21%	0.205	C	C	.	.	H	α-helix	trans	-77.6	-12.8	177.6	-66	168	159	-128.6	0	114.2	V645 L646 L708 T709 D710 L711	V645-K648 CarbonylContact O-C 3.54Å; V645-K648 WeakPolarHBondContact O-CA 3.46Å; V645-K648 WeakPolarHBondContact O-CB 3.05Å; V645-K648 PolarHBondContact O-N 3Å; L646-K648 PolarHBondContact O-N 2.68Å; K648-L708 VanDerWaalsContact CD-O 3.23Å; K648-L708 WeakPolarHBondContact CD-O 3.47Å; K648-L708 WeakPolarHBondContact CG-O 3.45Å; K648-L708 PolarHBondContact NZ-O 3.32Å; K648-L708 VanDerWaalsContact NZ-O 3.17Å; K648-T709 CarbonylContact O-C 3.53Å; K648-D710 PolarHBondContact O-N 2.59Å; K648-L711 HydrophobicContact CB-CD1 4.03Å; K648-L711 HydrophobicContact CB-CG 4.46Å; K648-L711 PolarHBondContact O-N 2.78Å
649	C	94.6	Very high	91.2	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.014	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	130.5	176.9	-63.2	0	0	0	0	111.4	V645 L646 F662 K667 L711 A713	V645-C649 PolarHBondContact O-N 3.29Å; V645-C649 VanDerWaalsContact O-N 3.08Å; V645-C649 PolarHBondContact O-SG 2.92Å; L646-C649 PolarHBondContact O-N 3.13Å; C649-F662 HydrophobicContact CB-CD1 4.03Å; C649-F662 HydrophobicContact CB-CE1 4.38Å; C649-K667 WeakPolarHBondContact O-CE 3.32Å; C649-K667 PolarHBondContact O-NZ 3.06Å; C649-L711 CarbonylContact C-O 3.45Å; C649-L711 WeakPolarHBondContact CA-O 3.22Å; C649-L711 HydrophobicContact CB-CB 4.45Å; C649-L711 WeakPolarHBondContact CB-O 3.28Å; C649-A713 HydrophobicContact CB-CB 4.21Å
650	S	94.9	Very high	91.1	Very high	29 Å²	29	47.8 Å²	47.8	20%	0.203	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-21.6	171	50.8	0	0	0	0	112.4	F662 D710 L711	S650-F662 PolarHBondContact O-N 3.24Å; S650-D710 WeakPolarHBondContact CB-OD1 3.21Å; S650-D710 VanDerWaalsContact OG-C 3.3Å; S650-D710 WeakPolarHBondContact OG-CA 3.47Å; S650-D710 PolarHBondContact OG-O 2.88Å; S650-D710 PolarHBondContact OG-OD1 3.46Å; S650-L711 PolarHBondContact N-O 3Å; S650-L711 PolarHBondContact OG-O 3.48Å
651	H	95.6	Very high	91.2	Very high	57 Å²	57	51.9 Å²	51.9	26%	0.264	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	164	-178.1	-59.4	83.7	0	0	0	111.5	P659 R660 L711 T712 A713	H651-P659 HydrophobicContact CB-CB 4.12Å; H651-R660 CarbonylContact C-O 3.51Å; H651-R660 WeakPolarHBondContact CA-O 3.43Å; H651-R660 WeakPolarHBondContact CB-O 3.43Å; H651-L711 PolarHBondContact N-O 3.29Å; H651-T712 HydrophobicContact CB-CG2 4.02Å; H651-T712 WeakPolarHBondContact O-CA 3.42Å; H651-A713 PolarHBondContact O-N 3.21Å
652	I	94.6	Very high	91.4	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.026	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146.7	173.3	-172	167.1	0	0	0	109.4	Y529 P659 R660 F662 M670 A713	Y529-I652 HydrophobicContact CE1-CD1 4.05Å; I652-P659 WeakPolarHBondContact O-CA 3.41Å; I652-R660 HydrophobicContact CG2-CG 3.58Å; I652-R660 PolarHBondContact N-O 2.82Å; I652-R660 WeakPolarHBondContact O-CG 3.48Å; I652-R660 PolarHBondContact O-N 3.35Å; I652-F662 HydrophobicContact CB-CB 4.19Å; I652-F662 HydrophobicContact CB-CD1 4.48Å; I652-F662 HydrophobicContact CB-CD2 4.12Å; I652-F662 HydrophobicContact CB-CG 4.04Å; I652-F662 HydrophobicContact CD1-CD2 4.42Å; I652-F662 HydrophobicContact CD1-CE2 4.17Å; I652-F662 HydrophobicContact CD1-CZ 4.43Å; I652-F662 HydrophobicContact CG2-CB 4.01Å; I652-F662 HydrophobicContact CG2-CD2 3.78Å; I652-F662 HydrophobicContact CG2-CG 4.03Å; I652-M670 HydrophobicContact CD1-CE 3.99Å; I652-M670 HydrophobicContact CD1-SD 3.95Å; I652-A713 WeakPolarHBondContact CA-O 3.28Å; I652-A713 HydrophobicContact CB-CB 4.24Å; I652-A713 HydrophobicContact CD1-CB 4.46Å; I652-A713 HydrophobicContact CG1-CB 4Å
653	L	93.6	Very high	91.4	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.7	174.2	-62.5	-177.3	0	0	0	111.5	L551 P659 Y690 T712 A713 I714	L551-L653 HydrophobicContact CD1-CD1 4.03Å; L653-P659 HydrophobicContact CD2-CG 4.04Å; L653-Y690 HydrophobicContact CD2-CE1 4.34Å; L653-T712 HydrophobicContact CD2-CG2 3.96Å; L653-T712 HydrophobicContact CG-CG2 4.24Å; L653-A713 PolarHBondContact N-O 3.33Å; L653-I714 HydrophobicContact CD1-CB 4.34Å; L653-I714 HydrophobicContact CD1-CG1 4.14Å; L653-I714 HydrophobicContact CD1-CG2 4.13Å
654	N	89.3	Confident	91.6	Very high	36 Å²	36	60.4 Å²	60.4	19%	0.193	30%	0.299	C	S	.	.			trans	-82.9	-178.8	176.4	70.4	8	0	0	0	112.9	V656 G657 E658 R660	N654-V656 PolarHBondContact O-N 3.48Å; N654-V656 WeakPolarHBondContact OD1-CA 3.48Å; N654-V656 PolarHBondContact OD1-N 2.91Å; N654-G657 PolarHBondContact O-N 2.72Å; N654-G657 PolarHBondContact OD1-N 3.05Å; N654-E658 VanDerWaalsContact CG-O 3.27Å; N654-E658 PolarHBondContact N-O 3.48Å; N654-E658 PolarHBondContact OD1-N 3.26Å; N654-E658 PolarHBondContact OD1-O 3.43Å; N654-R660 HydrophobicContact CB-CG 4.42Å
655	E	86.6	Confident	91.7	Very high	134 Å²	134	66.8 Å²	66.8	63%	0.626	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-16.5	174	-71.5	173.5	-163.2	0	0	115.4	G531 D532 P545	G531-E655 VanDerWaalsContact O-CG 3.25Å; G531-E655 WeakPolarHBondContact O-CG 3.15Å; D532-E655 HydrophobicContact CB-CG 4.38Å; P545-E655 WeakPolarHBondContact CG-O 3.44Å
656	V	86.3	Confident	91.5	Very high	104 Å²	104	69.1 Å²	69.1	63%	0.63	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-7.8	-179.2	-165.2	0	0	0	0	111.8	N654	N654-V656 PolarHBondContact O-N 3.48Å; N654-V656 WeakPolarHBondContact OD1-CA 3.48Å; N654-V656 PolarHBondContact OD1-N 2.91Å
657	G	85.2	Confident	91.4	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	34%	0.341	C	S	.	.	S	Bend	trans	80.2	29	-174.6	0	0	0	0	0	114.4	K547 S548 N654	K547-G657 WeakPolarHBondContact CD-O 3.32Å; K547-G657 WeakPolarHBondContact CE-O 3.22Å; K547-G657 PolarHBondContact NZ-O 3Å; S548-G657 WeakPolarHBondContact OG-CA 3.43Å; N654-G657 PolarHBondContact O-N 2.72Å; N654-G657 PolarHBondContact OD1-N 3.05Å
658	E	90.5	Very high	91.3	Very high	111 Å²	111	68.7 Å²	68.7	52%	0.519	34%	0.336	S	S	.	.			trans	-107.7	142.3	171.2	-59.5	-161.4	136.7	0	0	111.6	N654 R660	N654-E658 VanDerWaalsContact CG-O 3.27Å; N654-E658 PolarHBondContact N-O 3.48Å; N654-E658 PolarHBondContact OD1-N 3.26Å; N654-E658 PolarHBondContact OD1-O 3.43Å; E658-R660 PolarHBondContact O-N 2.76Å
659	P	92.3	Very high	91.2	Very high	62 Å²	62	69.1 Å²	69.1	40%	0.403	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	120.4	175.1	-17.5	31.2	0	0	0	111.4	H651 I652 L653 T712	H651-P659 HydrophobicContact CB-CB 4.12Å; I652-P659 WeakPolarHBondContact O-CA 3.41Å; L653-P659 HydrophobicContact CD2-CG 4.04Å; P659-T712 HydrophobicContact CB-CG2 4.11Å; P659-T712 HydrophobicContact CG-CG2 4.36Å
660	R	93.3	Very high	91	Very high	106 Å²	106	69.5 Å²	69.5	40%	0.4	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	149.4	165.8	67.5	176.8	-174	162.1	6.5	110.6	D532 H651 I652 N654 E658 F662	D532-R660 VanDerWaalsContact CG-CZ 3.48Å; D532-R660 IonicContact OD1-CZ 3.47Å; D532-R660 IonicContact OD1-NE 2.68Å; D532-R660 IonicContact OD1-NH2 2.9Å; D532-R660 PolarHBondContact OD1-NH2 2.95Å; D532-R660 IonicContact OD2-CZ 3.39Å; D532-R660 IonicContact OD2-NE 3Å; D532-R660 PolarHBondContact OD2-NE 3.07Å; D532-R660 IonicContact OD2-NH1 3.42Å; D532-R660 PolarHBondContact OD2-NH1 3.26Å; D532-R660 IonicContact OD2-NH2 2.69Å; D532-R660 PolarHBondContact OD2-NH2 3.14Å; H651-R660 CarbonylContact C-O 3.51Å; H651-R660 WeakPolarHBondContact CA-O 3.43Å; H651-R660 WeakPolarHBondContact CB-O 3.43Å; I652-R660 HydrophobicContact CG2-CG 3.58Å; I652-R660 PolarHBondContact N-O 2.82Å; I652-R660 WeakPolarHBondContact O-CG 3.48Å; I652-R660 PolarHBondContact O-N 3.35Å; N654-R660 HydrophobicContact CB-CG 4.42Å; E658-R660 PolarHBondContact O-N 2.76Å; R660-F662 PolarHBondContact O-N 3.34Å
661	V	93.6	Very high	90.7	Very high	94 Å²	94	70.2 Å²	70.2	57%	0.57	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	127.6	176.1	178.9	0	0	0	0	109.8	R663	V661-R663 HydrophobicContact CG1-CG 4.34Å
662	F	92.7	Very high	90.5	Very high	8 Å²	8	74.7 Å²	74.7	4%	0.035	36%	0.363	C	S	.	.			trans	-106.4	93.4	-173.5	-173.4	-139.5	0	0	0	110.3	L646 C649 S650 I652 R660 D666 K667 M670	L646-F662 HydrophobicContact CB-CE1 4.35Å; L646-F662 HydrophobicContact CD2-CE1 3.82Å; L646-F662 HydrophobicContact CD2-CZ 4.24Å; C649-F662 HydrophobicContact CB-CD1 4.03Å; C649-F662 HydrophobicContact CB-CE1 4.38Å; S650-F662 PolarHBondContact O-N 3.24Å; I652-F662 HydrophobicContact CB-CB 4.19Å; I652-F662 HydrophobicContact CB-CD1 4.48Å; I652-F662 HydrophobicContact CB-CD2 4.12Å; I652-F662 HydrophobicContact CB-CG 4.04Å; I652-F662 HydrophobicContact CD1-CD2 4.42Å; I652-F662 HydrophobicContact CD1-CE2 4.17Å; I652-F662 HydrophobicContact CD1-CZ 4.43Å; I652-F662 HydrophobicContact CG2-CB 4.01Å; I652-F662 HydrophobicContact CG2-CD2 3.78Å; I652-F662 HydrophobicContact CG2-CG 4.03Å; R660-F662 PolarHBondContact O-N 3.34Å; F662-D666 HydrophobicContact CD2-CB 3.65Å; F662-D666 HydrophobicContact CE2-CB 3.73Å; F662-K667 HydrophobicContact CD1-CD 4.37Å; F662-K667 HydrophobicContact CD1-CG 3.75Å; F662-K667 HydrophobicContact CD2-CG 4.39Å; F662-K667 HydrophobicContact CE1-CB 4.4Å; F662-K667 HydrophobicContact CE1-CD 4.25Å; F662-K667 HydrophobicContact CE1-CG 3.33Å; F662-K667 HydrophobicContact CE2-CG 4.02Å; F662-K667 HydrophobicContact CG-CG 4.25Å; F662-K667 HydrophobicContact CZ-CB 4.12Å; F662-K667 HydrophobicContact CZ-CG 3.46Å; F662-K667 VanDerWaalsContact CZ-CG 3.46Å; F662-K667 WeakPolarHBondContact O-CE 3.34Å; F662-M670 HydrophobicContact CE1-CE 4.3Å; F662-M670 HydrophobicContact CE2-CE 4.31Å; F662-M670 HydrophobicContact CZ-CE 3.59Å
663	R	92.3	Very high	90.3	Very high	168 Å²	168	80.9 Å²	80.9	63%	0.634	39%	0.39	S	S	*	.			trans	-75.2	160.5	-169.7	-55	173.6	175	-175.7	-1.9	110.9	V661 R665 D666 K667	V661-R663 HydrophobicContact CG1-CG 4.34Å; R663-R665 PolarHBondContact O-N 3.11Å; R663-D666 WeakPolarHBondContact CA-OD2 3.49Å; R663-D666 WeakPolarHBondContact CB-OD2 3.46Å; R663-D666 WeakPolarHBondContact CG-OD2 3.32Å; R663-D666 PolarHBondContact N-OD2 3.4Å; R663-D666 WeakPolarHBondContact O-CB 3.46Å; R663-D666 PolarHBondContact O-N 3.24Å; R663-K667 PolarHBondContact O-N 3.41Å
664	P	89.8	Confident	90.1	Very high	94 Å²	94	81.1 Å²	81.1	61%	0.61	39%	0.391	S	S	*	.	H	α-helix	trans	-52.3	-40.4	174.8	-28.4	36.4	0	0	0	113.6	D666 K667 D668	P664-D666 PolarHBondContact O-N 3.48Å; P664-K667 WeakPolarHBondContact O-CB 3.35Å; P664-K667 PolarHBondContact O-N 3.33Å; P664-D668 PolarHBondContact O-N 2.83Å
665	R	90.4	Very high	90.2	Very high	177 Å²	177	80 Å²	80	67%	0.668	39%	0.385	S	S	*	.	H	α-helix	trans	-61.2	-41.8	174.8	-178.7	177.5	171.3	167.1	-1.2	112.7	R663 K667 D668 E669	R663-R665 PolarHBondContact O-N 3.11Å; R665-K667 VanDerWaalsContact C-N 3.3Å; R665-K667 PolarHBondContact O-N 3.4Å; R665-D668 PolarHBondContact O-N 3.22Å; R665-E669 HydrophobicContact CG-CG 4.43Å; R665-E669 IonicContact CZ-OE1 3.32Å; R665-E669 IonicContact NE-OE1 3Å; R665-E669 PolarHBondContact NE-OE1 2.94Å; R665-E669 IonicContact NH2-OE1 3.5Å; R665-E669 PolarHBondContact NH2-OE1 3.39Å; R665-E669 WeakPolarHBondContact O-CB 3.36Å; R665-E669 WeakPolarHBondContact O-CG 3.36Å; R665-E669 PolarHBondContact O-N 3.42Å
666	D	89.5	Confident	90.3	Very high	50 Å²	50	78.4 Å²	78.4	27%	0.267	38%	0.377	S	S	.	.	H	α-helix	trans	-68.2	-35.7	-179.1	-46.2	-33.2	0	0	0	110.4	F662 R663 P664 M670	F662-D666 HydrophobicContact CD2-CB 3.65Å; F662-D666 HydrophobicContact CE2-CB 3.73Å; R663-D666 WeakPolarHBondContact CA-OD2 3.49Å; R663-D666 WeakPolarHBondContact CB-OD2 3.46Å; R663-D666 WeakPolarHBondContact CG-OD2 3.32Å; R663-D666 PolarHBondContact N-OD2 3.4Å; R663-D666 WeakPolarHBondContact O-CB 3.46Å; R663-D666 PolarHBondContact O-N 3.24Å; P664-D666 PolarHBondContact O-N 3.48Å; D666-M670 WeakPolarHBondContact O-CB 3.49Å; D666-M670 PolarHBondContact O-N 2.86Å
667	K	90	Very high	90.5	Very high	40 Å²	40	75.8 Å²	75.8	17%	0.174	36%	0.362	C	S	.	.	H	α-helix	trans	-60.6	-51.3	171.1	-68.3	170.2	-177.6	-174.7	0	111.5	L646 K647 C649 F662 R663 P664 R665 M670 V671	L646-K667 VanDerWaalsContact O-CE 3.24Å; L646-K667 WeakPolarHBondContact O-CE 3.23Å; K647-K667 PolarHBondContact O-NZ 2.87Å; K647-K667 VanDerWaalsContact O-NZ 3.13Å; C649-K667 WeakPolarHBondContact O-CE 3.32Å; C649-K667 PolarHBondContact O-NZ 3.06Å; F662-K667 HydrophobicContact CD1-CD 4.37Å; F662-K667 HydrophobicContact CD1-CG 3.75Å; F662-K667 HydrophobicContact CD2-CG 4.39Å; F662-K667 HydrophobicContact CE1-CB 4.4Å; F662-K667 HydrophobicContact CE1-CD 4.25Å; F662-K667 HydrophobicContact CE1-CG 3.33Å; F662-K667 HydrophobicContact CE2-CG 4.02Å; F662-K667 HydrophobicContact CG-CG 4.25Å; F662-K667 HydrophobicContact CZ-CB 4.12Å; F662-K667 HydrophobicContact CZ-CG 3.46Å; F662-K667 VanDerWaalsContact CZ-CG 3.46Å; F662-K667 WeakPolarHBondContact O-CE 3.34Å; R663-K667 PolarHBondContact O-N 3.41Å; P664-K667 WeakPolarHBondContact O-CB 3.35Å; P664-K667 PolarHBondContact O-N 3.33Å; R665-K667 VanDerWaalsContact C-N 3.3Å; R665-K667 PolarHBondContact O-N 3.4Å; K667-M670 PolarHBondContact O-N 3.39Å; K667-V671 WeakPolarHBondContact O-CG2 3.45Å; K667-V671 PolarHBondContact O-N 3.26Å
668	D	89.2	Confident	90.7	Very high	111 Å²	111	75.8 Å²	75.8	59%	0.594	36%	0.362	S	S	*	.	H	α-helix	trans	-65.6	-39.3	-179	-66.1	-23.3	0	0	0	111.7	P664 R665 V671 K672	P664-D668 PolarHBondContact O-N 2.83Å; R665-D668 PolarHBondContact O-N 3.22Å; D668-V671 PolarHBondContact O-N 3.5Å; D668-K672 WeakPolarHBondContact O-CB 3.46Å; D668-K672 PolarHBondContact O-N 2.88Å
669	E	90	Very high	90.3	Very high	62 Å²	62	72.1 Å²	72.1	29%	0.29	35%	0.351	S	S	.	.	H	α-helix	trans	-64.8	-39.4	173.7	-73.9	-164	-149.5	0	0	111.8	R665 K672 K673	R665-E669 HydrophobicContact CG-CG 4.43Å; R665-E669 IonicContact CZ-OE1 3.32Å; R665-E669 IonicContact NE-OE1 3Å; R665-E669 PolarHBondContact NE-OE1 2.94Å; R665-E669 IonicContact NH2-OE1 3.5Å; R665-E669 PolarHBondContact NH2-OE1 3.39Å; R665-E669 WeakPolarHBondContact O-CB 3.36Å; R665-E669 WeakPolarHBondContact O-CG 3.36Å; R665-E669 PolarHBondContact O-N 3.42Å; E669-K672 PolarHBondContact O-N 3.42Å; E669-K673 HydrophobicContact CB-CD 4.45Å; E669-K673 WeakPolarHBondContact O-CB 3.47Å; E669-K673 WeakPolarHBondContact O-CG 3.48Å; E669-K673 PolarHBondContact O-N 2.94Å; E669-K673 IonicContact OE2-NZ 3.2Å; E669-K673 PolarHBondContact OE2-NZ 3.34Å
670	M	90.3	Very high	89.8	Confident	9 Å²	9	72.5 Å²	72.5	4%	0.044	36%	0.355	C	S	.	.	H	α-helix	trans	-70.5	-36.4	175.7	-168.1	158.4	81	0	0	112.7	Y529 L646 I652 F662 D666 K667 V674 I675 V716	Y529-M670 HydrophobicContact CD1-SD 3.69Å; Y529-M670 HydrophobicContact CE1-SD 3.42Å; Y529-M670 WeakPolarHBondContact CE1-SD 3.41Å; Y529-M670 HydrophobicContact CE2-SD 4.45Å; Y529-M670 HydrophobicContact CG-SD 4.33Å; L646-M670 HydrophobicContact CD1-CE 3.47Å; L646-M670 VanDerWaalsContact CD1-CE 3.47Å; L646-M670 HydrophobicContact CD2-CE 3.32Å; L646-M670 HydrophobicContact CG-CE 4.03Å; I652-M670 HydrophobicContact CD1-CE 3.99Å; I652-M670 HydrophobicContact CD1-SD 3.95Å; F662-M670 HydrophobicContact CE1-CE 4.3Å; F662-M670 HydrophobicContact CE2-CE 4.31Å; F662-M670 HydrophobicContact CZ-CE 3.59Å; D666-M670 WeakPolarHBondContact O-CB 3.49Å; D666-M670 PolarHBondContact O-N 2.86Å; K667-M670 PolarHBondContact O-N 3.39Å; M670-V674 HydrophobicContact CG-CB 4.21Å; M670-V674 HydrophobicContact CG-CG2 4.1Å; M670-V674 VanDerWaalsContact O-CB 3.3Å; M670-V674 WeakPolarHBondContact O-CB 3.34Å; M670-V674 PolarHBondContact O-N 3.2Å; M670-I675 PolarHBondContact O-N 3.23Å; M670-I675 VanDerWaalsContact O-N 3.16Å; M670-V716 HydrophobicContact CE-CG2 3.92Å
671	V	90.3	Very high	89.4	Confident	44 Å²	44	70.8 Å²	70.8	27%	0.267	35%	0.353	S	S	.	.	I	π-helix	trans	-59.1	-50.6	171.6	170.6	0	0	0	0	110.1	K667 D668 I675 E676	K667-V671 WeakPolarHBondContact O-CG2 3.45Å; K667-V671 PolarHBondContact O-N 3.26Å; D668-V671 PolarHBondContact O-N 3.5Å; V671-I675 HydrophobicContact CG2-CD1 4.06Å; V671-I675 PolarHBondContact O-N 3.16Å; V671-E676 HydrophobicContact CG1-CG 4.4Å; V671-E676 PolarHBondContact O-N 3.33Å
672	K	89.8	Confident	88.7	Confident	151 Å²	151	66.6 Å²	66.6	66%	0.657	33%	0.33	S	S	*	.	I	π-helix	trans	-75.1	-35.7	-174.3	-169.7	173.2	-175	175.8	0	114.8	D668 E669 P677	D668-K672 WeakPolarHBondContact O-CB 3.46Å; D668-K672 PolarHBondContact O-N 2.88Å; E669-K672 PolarHBondContact O-N 3.42Å; K672-P677 WeakPolarHBondContact O-CD 3.44Å
673	K	90.6	Very high	88.5	Confident	136 Å²	136	66.6 Å²	66.6	59%	0.591	33%	0.33	S	S	*	.	I	π-helix	trans	-91.8	-21.3	-175.9	-66.7	173.9	174.2	172.2	0	114	E669	E669-K673 HydrophobicContact CB-CD 4.45Å; E669-K673 WeakPolarHBondContact O-CB 3.47Å; E669-K673 WeakPolarHBondContact O-CG 3.48Å; E669-K673 PolarHBondContact O-N 2.94Å; E669-K673 IonicContact OE2-NZ 3.2Å; E669-K673 PolarHBondContact OE2-NZ 3.34Å
674	V	91.3	Very high	88.2	Confident	7 Å²	7	65 Å²	65	4%	0.042	32%	0.324	C	S	.	.	I	π-helix	trans	-124	-56.8	-172.9	-173	0	0	0	0	111.2	Y529 M670 M678	Y529-V674 HydrophobicContact CD2-CB 4.48Å; Y529-V674 HydrophobicContact CD2-CG1 4.02Å; Y529-V674 HydrophobicContact CD2-CG2 3.69Å; Y529-V674 HydrophobicContact CE2-CG2 3.88Å; Y529-V674 HydrophobicContact CG-CG1 4.26Å; M670-V674 HydrophobicContact CG-CB 4.21Å; M670-V674 HydrophobicContact CG-CG2 4.1Å; M670-V674 VanDerWaalsContact O-CB 3.3Å; M670-V674 WeakPolarHBondContact O-CB 3.34Å; M670-V674 PolarHBondContact O-N 3.2Å; V674-M678 HydrophobicContact CG1-CE 3.64Å; V674-M678 HydrophobicContact CG1-SD 4.13Å; V674-M678 WeakPolarHBondContact O-CB 3.31Å; V674-M678 VanDerWaalsContact O-CG 3.25Å; V674-M678 WeakPolarHBondContact O-CG 3.42Å; V674-M678 PolarHBondContact O-N 3.22Å
675	I	90.7	Very high	88.3	Confident	11 Å²	11	61.3 Å²	61.3	6%	0.056	30%	0.299	C	S	.	.	I	π-helix	trans	-72.7	-44.2	-171.4	-63.3	166.8	0	0	0	112.2	S642 L646 M670 V671 M678 A679 T685 V716	S642-I675 WeakPolarHBondContact OG-CG2 3.35Å; L646-I675 HydrophobicContact CD1-CD1 3.37Å; M670-I675 PolarHBondContact O-N 3.23Å; M670-I675 VanDerWaalsContact O-N 3.16Å; V671-I675 HydrophobicContact CG2-CD1 4.06Å; V671-I675 PolarHBondContact O-N 3.16Å; I675-M678 PolarHBondContact O-N 2.91Å; I675-A679 VanDerWaalsContact O-CB 3.31Å; I675-A679 WeakPolarHBondContact O-CB 3.43Å; I675-A679 PolarHBondContact O-N 3.29Å; I675-T685 HydrophobicContact CG2-CG2 4.16Å; I675-V716 HydrophobicContact CG1-CG1 4.26Å
676	E	88.3	Confident	88.4	Confident	101 Å²	101	53.6 Å²	53.6	47%	0.472	27%	0.271	S	S	.	.	H	α-helix	trans	-60.6	-49.7	176.1	-79.1	-180	172.2	0	0	111.5	V671 M678 A679 C680	V671-E676 HydrophobicContact CG1-CG 4.4Å; V671-E676 PolarHBondContact O-N 3.33Å; E676-M678 PolarHBondContact O-N 3.15Å; E676-A679 PolarHBondContact O-N 2.87Å; E676-C680 WeakPolarHBondContact O-CB 3.26Å; E676-C680 PolarHBondContact O-N 2.91Å; E676-C680 PolarHBondContact O-SG 3.17Å; E676-C680 VanDerWaalsContact O-SG 3.4Å
677	P	90	Very high	88.7	Confident	49 Å²	49	51.2 Å²	51.2	32%	0.318	26%	0.259	S	S	.	.	H	α-helix	trans	-56.4	-48.1	171.5	-30.7	38.4	0	0	0	114.2	K672 A679 C680 D681	K672-P677 WeakPolarHBondContact O-CD 3.44Å; P677-A679 VanDerWaalsContact C-N 3.29Å; P677-A679 PolarHBondContact O-N 3.45Å; P677-C680 WeakPolarHBondContact O-CB 3.33Å; P677-C680 PolarHBondContact O-N 3.07Å; P677-C680 VanDerWaalsContact O-N 3.11Å; P677-D681 PolarHBondContact O-N 2.88Å
678	M	89.6	Confident	89.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-56.2	-43.7	175.4	-76.4	-178.2	179.8	0	0	111.6	Q527 H534 V674 I675 E676 D681 G682 L683 T685 V716	Q527-M678 HydrophobicContact CB-CE 3.89Å; H534-M678 VanDerWaalsContact NE2-CE 3.34Å; H534-M678 WeakPolarHBondContact NE2-CE 3.22Å; V674-M678 HydrophobicContact CG1-CE 3.64Å; V674-M678 HydrophobicContact CG1-SD 4.13Å; V674-M678 WeakPolarHBondContact O-CB 3.31Å; V674-M678 VanDerWaalsContact O-CG 3.25Å; V674-M678 WeakPolarHBondContact O-CG 3.42Å; V674-M678 PolarHBondContact O-N 3.22Å; I675-M678 PolarHBondContact O-N 2.91Å; E676-M678 PolarHBondContact O-N 3.15Å; M678-D681 PolarHBondContact O-N 3.48Å; M678-G682 PolarHBondContact O-N 2.95Å; M678-L683 HydrophobicContact CB-CB 4.28Å; M678-L683 HydrophobicContact CB-CD1 4.11Å; M678-L683 HydrophobicContact CG-CD1 4.09Å; M678-L683 VanDerWaalsContact O-CB 3.23Å; M678-L683 WeakPolarHBondContact O-CB 3.22Å; M678-L683 VanDerWaalsContact O-CG 3.32Å; M678-L683 WeakPolarHBondContact O-CG 3.43Å; M678-L683 PolarHBondContact O-N 2.96Å; M678-T685 HydrophobicContact CB-CG2 3.47Å; M678-T685 VanDerWaalsContact CB-CG2 3.47Å; M678-T685 HydrophobicContact CG-CG2 4.26Å; M678-T685 HydrophobicContact SD-CG2 3.79Å; M678-V716 HydrophobicContact SD-CG1 4.37Å
679	A	82.4	Confident	89.4	Confident	35 Å²	35	44.1 Å²	44.1	29%	0.289	22%	0.223	S	C	.	.	H	α-helix	trans	-71.2	-29	178.3	0	0	0	0	0	113.3	I675 E676 P677 G682	I675-A679 VanDerWaalsContact O-CB 3.31Å; I675-A679 WeakPolarHBondContact O-CB 3.43Å; I675-A679 PolarHBondContact O-N 3.29Å; E676-A679 PolarHBondContact O-N 2.87Å; P677-A679 VanDerWaalsContact C-N 3.29Å; P677-A679 PolarHBondContact O-N 3.45Å; A679-G682 PolarHBondContact O-N 3.42Å
680	C	82.1	Confident	89.7	Confident	69 Å²	69	42 Å²	42	47%	0.466	21%	0.212	S	C	.	.	H	α-helix	trans	-70.2	-36.4	172	-79.1	0	0	0	0	112.5	E676 P677 G682	E676-C680 WeakPolarHBondContact O-CB 3.26Å; E676-C680 PolarHBondContact O-N 2.91Å; E676-C680 PolarHBondContact O-SG 3.17Å; E676-C680 VanDerWaalsContact O-SG 3.4Å; P677-C680 WeakPolarHBondContact O-CB 3.33Å; P677-C680 PolarHBondContact O-N 3.07Å; P677-C680 VanDerWaalsContact O-N 3.11Å; C680-G682 PolarHBondContact O-N 3.16Å
681	D	84.3	Confident	90	Very high	70 Å²	70	43.5 Å²	43.5	37%	0.374	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-6	170.4	-71.8	-13.5	0	0	0	112.6	Q527 P677 M678 L683 A754	Q527-D681 PolarHBondContact NE2-OD2 3.21Å; P677-D681 PolarHBondContact O-N 2.88Å; M678-D681 PolarHBondContact O-N 3.48Å; D681-L683 HydrophobicContact CB-CG 4.19Å; D681-A754 WeakPolarHBondContact O-CB 3.11Å
682	G	80.3	Confident	90.1	Very high	7 Å²	7	44.9 Å²	44.9	7%	0.072	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	92	4.6	177.4	0	0	0	0	0	115	M678 A679 C680 T751	M678-G682 PolarHBondContact O-N 2.95Å; A679-G682 PolarHBondContact O-N 3.42Å; C680-G682 PolarHBondContact O-N 3.16Å; G682-T751 WeakPolarHBondContact O-CG2 3.28Å
683	L	88.1	Confident	90.2	Very high	7 Å²	7	38.9 Å²	38.9	4%	0.037	20%	0.197	C	C	.	.			trans	-74.7	140.1	-177	-45	-179.1	0	0	0	111.7	Q527 M678 D681 T685 E720	Q527-L683 HydrophobicContact CB-CD1 3.9Å; Q527-L683 HydrophobicContact CG-CD1 3.49Å; Q527-L683 VanDerWaalsContact CG-CD1 3.49Å; M678-L683 HydrophobicContact CB-CB 4.28Å; M678-L683 HydrophobicContact CB-CD1 4.11Å; M678-L683 HydrophobicContact CG-CD1 4.09Å; M678-L683 VanDerWaalsContact O-CB 3.23Å; M678-L683 WeakPolarHBondContact O-CB 3.22Å; M678-L683 VanDerWaalsContact O-CG 3.32Å; M678-L683 WeakPolarHBondContact O-CG 3.43Å; M678-L683 PolarHBondContact O-N 2.96Å; D681-L683 HydrophobicContact CB-CG 4.19Å; L683-T685 PolarHBondContact O-N 3.35Å; L683-E720 HydrophobicContact CD2-CB 3.62Å; L683-E720 HydrophobicContact CD2-CG 3.78Å; L683-E720 VanDerWaalsContact CD2-OE2 3.3Å; L683-E720 WeakPolarHBondContact CD2-OE2 3.37Å
684	R	86	Confident	90	Very high	136 Å²	136	35.6 Å²	35.6	51%	0.513	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	111.9	167.7	-171.5	-179.2	-155.1	160.4	17	109.4	T583 I686 I719	T583-R684 PolarHBondContact OG1-NH1 2.92Å; R684-I686 HydrophobicContact CG-CD1 4.38Å; R684-I719 WeakPolarHBondContact CB-O 3.37Å; R684-I719 PolarHBondContact N-O 3.4Å; R684-I719 PolarHBondContact O-N 3.02Å
685	T	91.1	Very high	89.5	Confident	15 Å²	15	38.5 Å²	38.5	9%	0.092	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	115.8	-176.2	50.7	0	0	0	0	112.4	S642 I675 M678 L683 V717	S642-T685 PolarHBondContact N-O 3.4Å; S642-T685 VanDerWaalsContact N-O 3.14Å; S642-T685 VanDerWaalsContact OG-CB 3.3Å; S642-T685 WeakPolarHBondContact OG-CB 3.45Å; S642-T685 PolarHBondContact OG-OG1 2.72Å; I675-T685 HydrophobicContact CG2-CG2 4.16Å; M678-T685 HydrophobicContact CB-CG2 3.47Å; M678-T685 VanDerWaalsContact CB-CG2 3.47Å; M678-T685 HydrophobicContact CG-CG2 4.26Å; M678-T685 HydrophobicContact SD-CG2 3.79Å; L683-T685 PolarHBondContact O-N 3.35Å; T685-V717 WeakPolarHBondContact CA-O 3.48Å
686	I	93.6	Very high	89	Confident	16 Å²	16	44.5 Å²	44.5	8%	0.082	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.7	178.3	-59.3	-60.8	0	0	0	109.2	T583 L587 G640 R684 V716 V717 I719	T583-I686 HydrophobicContact CG2-CD1 4.22Å; T583-I686 HydrophobicContact CG2-CG1 4.1Å; L587-I686 HydrophobicContact CD1-CG2 4.26Å; G640-I686 WeakPolarHBondContact O-CA 3.37Å; R684-I686 HydrophobicContact CG-CD1 4.38Å; I686-V716 CarbonylContact O-C 3.49Å; I686-V716 WeakPolarHBondContact O-CA 3.38Å; I686-V717 PolarHBondContact N-O 2.77Å; I686-V717 PolarHBondContact O-N 2.92Å; I686-I719 HydrophobicContact CB-CD1 4.44Å; I686-I719 HydrophobicContact CG1-CD1 3.9Å
687	C	95.9	Very high	88.6	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	137.3	169.6	179.3	0	0	0	0	109.6	K639 G640 V645 L646 C715 V716	K639-C687 WeakPolarHBondContact CA-O 3.46Å; G640-C687 PolarHBondContact N-O 2.91Å; G640-C687 PolarHBondContact O-N 2.63Å; V645-C687 HydrophobicContact CB-CB 3.94Å; V645-C687 HydrophobicContact CG1-CB 4.09Å; L646-C687 HydrophobicContact CD2-CB 4.46Å; L646-C687 VanDerWaalsContact CD2-SG 3.53Å; L646-C687 HydrophobicContact CG-CB 4.21Å; C687-C715 WeakPolarHBondContact CA-O 3.33Å; C687-V716 HydrophobicContact CB-CG2 4.38Å
688	V	96.9	Very high	88.2	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.4	170.8	-174.4	0	0	0	0	107.9	L552 A555 I556 I714 C715	L552-V688 HydrophobicContact CD1-CB 4.43Å; L552-V688 HydrophobicContact CD1-CG1 4.39Å; A555-V688 HydrophobicContact CB-CG1 3.6Å; I556-V688 HydrophobicContact CG1-CG2 4.34Å; V688-I714 HydrophobicContact CG1-CD1 4.3Å; V688-I714 WeakPolarHBondContact O-CB 3.47Å; V688-I714 PolarHBondContact O-N 2.92Å; V688-C715 PolarHBondContact N-O 3.09Å; V688-C715 PolarHBondContact O-N 3.44Å
689	A	96.8	Very high	88	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	165.3	-174.9	0	0	0	0	0	111	S638 V645 L711 T712	S638-A689 PolarHBondContact N-O 3.48Å; S638-A689 PolarHBondContact O-N 3.49Å; S638-A689 VanDerWaalsContact O-O 3.14Å; V645-A689 HydrophobicContact CG1-CB 3.93Å; A689-L711 HydrophobicContact CB-CB 4.16Å; A689-L711 HydrophobicContact CB-CD1 4.37Å; A689-T712 CarbonylContact C-O 3.52Å; A689-T712 WeakPolarHBondContact CA-O 3.45Å; A689-T712 VanDerWaalsContact CB-O 3.31Å; A689-T712 WeakPolarHBondContact CB-O 3.41Å
690	Y	96.4	Very high	88.2	Confident	18 Å²	18	54.7 Å²	54.7	7%	0.071	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	165.6	171.9	78.6	-72.9	0	0	0	111.8	L551 M636 L653 T712 I714	L551-Y690 HydrophobicContact CD1-CE1 4.11Å; M636-Y690 CarbonylContact O-C 3.49Å; M636-Y690 WeakPolarHBondContact O-CA 3.49Å; M636-Y690 WeakPolarHBondContact O-CB 3.41Å; L653-Y690 HydrophobicContact CD2-CE1 4.34Å; Y690-T712 HydrophobicContact CD1-CG2 4.26Å; Y690-T712 HydrophobicContact CE1-CG2 3.55Å; Y690-T712 PolarHBondContact N-O 2.97Å; Y690-T712 PolarHBondContact O-N 3.11Å; Y690-I714 HydrophobicContact CD1-CD1 3.7Å; Y690-I714 HydrophobicContact CD1-CG1 3.61Å; Y690-I714 HydrophobicContact CE1-CG1 4.13Å; Y690-I714 HydrophobicContact CG-CD1 4.33Å
691	R	94.9	Very high	88.4	Confident	39 Å²	39	52.2 Å²	52.2	15%	0.147	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	139.2	169.6	-171.9	172.6	-172.6	-150.9	-0.1	109.7	M636 F693 N706 I707 T709 D710 L711	M636-R691 HydrophobicContact CE-CB 4.31Å; M636-R691 PolarHBondContact N-O 3.49Å; M636-R691 PolarHBondContact O-N 2.87Å; R691-F693 HydrophobicContact CB-CE2 4.05Å; R691-F693 HydrophobicContact CB-CZ 4.37Å; R691-F693 HydrophobicContact CG-CE2 3.97Å; R691-F693 HydrophobicContact CG-CZ 3.98Å; R691-N706 PolarHBondContact NH1-O 2.87Å; R691-I707 PolarHBondContact NH1-O 3.22Å; R691-T709 WeakPolarHBondContact CD-O 3.4Å; R691-T709 VanDerWaalsContact CZ-O 3.28Å; R691-T709 PolarHBondContact NE-O 3.5Å; R691-T709 PolarHBondContact NH1-O 3.09Å; R691-D710 VanDerWaalsContact CD-O 3.25Å; R691-D710 WeakPolarHBondContact CD-O 2.89Å; R691-D710 IonicContact CZ-OD2 3.33Å; R691-D710 PolarHBondContact NE-O 2.91Å; R691-D710 IonicContact NE-OD2 3.2Å; R691-D710 PolarHBondContact NE-OD2 2.95Å; R691-D710 IonicContact NH2-OD2 2.52Å; R691-D710 PolarHBondContact NH2-OD2 3.4Å; R691-L711 HydrophobicContact CB-CD2 3.87Å
692	D	92.8	Very high	88.4	Confident	74 Å²	74	55.7 Å²	55.7	40%	0.396	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	142.5	176.4	-65	-20.4	0	0	0	109.8	F634 R635	F634-D692 WeakPolarHBondContact O-CA 3.45Å; R635-D692 WeakPolarHBondContact CB-OD1 2.99Å; R635-D692 VanDerWaalsContact CG-OD1 3.3Å; R635-D692 WeakPolarHBondContact CG-OD1 3.37Å; R635-D692 IonicContact CZ-OD1 3.58Å; R635-D692 IonicContact CZ-OD2 3.97Å; R635-D692 IonicContact NE-OD1 3.59Å; R635-D692 PolarHBondContact NE-OD1 3.23Å; R635-D692 IonicContact NE-OD2 3.79Å; R635-D692 IonicContact NH2-OD1 2.75Å; R635-D692 PolarHBondContact NH2-OD1 2.99Å; R635-D692 IonicContact NH2-OD2 2.75Å; R635-D692 PolarHBondContact NH2-OD2 3.14Å
693	F	92.1	Very high	88.6	Confident	24 Å²	24	58.6 Å²	58.6	11%	0.105	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	139.6	-179.7	-59.7	-97.4	0	0	0	110	S633 F634 M636 R691 P699 W701 I707	S633-F693 WeakPolarHBondContact CB-O 3.43Å; F634-F693 HydrophobicContact CB-CB 4.32Å; F634-F693 PolarHBondContact N-O 3.13Å; F634-F693 PolarHBondContact O-N 2.74Å; M636-F693 HydrophobicContact CB-CE2 3.8Å; M636-F693 HydrophobicContact CE-CE2 4.18Å; M636-F693 HydrophobicContact CE-CZ 4.17Å; R691-F693 HydrophobicContact CB-CE2 4.05Å; R691-F693 HydrophobicContact CB-CZ 4.37Å; R691-F693 HydrophobicContact CG-CE2 3.97Å; R691-F693 HydrophobicContact CG-CZ 3.98Å; F693-P699 HydrophobicContact CB-CG 3.63Å; F693-P699 HydrophobicContact CD1-CB 4.14Å; F693-P699 HydrophobicContact CD1-CG 3.82Å; F693-P699 HydrophobicContact CG-CG 3.95Å; F693-W701 HydrophobicContact CD2-CH2 4.16Å; F693-W701 HydrophobicContact CD2-CZ3 4.43Å; F693-W701 HydrophobicContact CE2-CZ3 4.39Å; F693-W701 HydrophobicContact CG-CH2 4.32Å; F693-I707 HydrophobicContact CE1-CD1 3.92Å; F693-I707 HydrophobicContact CZ-CD1 4.31Å; F693-I707 HydrophobicContact CZ-CG2 4.03Å
694	A	87.4	Confident	88.3	Confident	68 Å²	68	61.7 Å²	61.7	56%	0.562	32%	0.321	S	S	*	.			trans	-64.9	158.2	171.1	0	0	0	0	0	111.3
695	S	80.6	Confident	88.1	Confident	68 Å²	68	61.6 Å²	61.6	48%	0.476	33%	0.331	S	S	.	.	S	Bend	trans	-82.2	-19.1	177.1	54.6	0	0	0	0	113.9	G632	G632-S695 WeakPolarHBondContact O-CB 3.34Å
696	D	79.7	Confident	87.9	Confident	137 Å²	137	65.3 Å²	65.3	73%	0.733	35%	0.351	S	S	*	.	S	Bend	trans	-139.6	123.1	-175.8	-173.9	16.4	0	0	0	110.5
697	P	79.4	Confident	87.6	Confident	107 Å²	107	65 Å²	65	70%	0.695	35%	0.349	S	S	*	.	S	Bend	cis	-65.5	150.8	-12.5	30.2	-35.3	0	0	0	111
698	E	81.1	Confident	87.2	Confident	98 Å²	98	65.2 Å²	65.2	46%	0.458	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-60	133.6	176.2	-169	180	167.3	0	0	110.6	Y611 F634 K700 W701	Y611-E698 PolarHBondContact OH-OE1 2.97Å; F634-E698 HydrophobicContact CE2-CG 4.19Å; F634-E698 HydrophobicContact CZ-CG 4.34Å; E698-K700 PolarHBondContact O-N 3.2Å; E698-W701 PolarHBondContact OE1-NE1 2.91Å
699	P	85.7	Confident	86.9	Confident	20 Å²	20	67.8 Å²	67.8	13%	0.13	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-57.7	139.5	177.3	-24.4	34	0	0	0	112.4	F693 W701 I707	F693-P699 HydrophobicContact CB-CG 3.63Å; F693-P699 HydrophobicContact CD1-CB 4.14Å; F693-P699 HydrophobicContact CD1-CG 3.82Å; F693-P699 HydrophobicContact CG-CG 3.95Å; P699-W701 VanDerWaalsContact C-N 3.3Å; P699-W701 HydrophobicContact CB-CD2 4.16Å; P699-W701 HydrophobicContact CB-CE3 4.33Å; P699-W701 HydrophobicContact CB-CH2 3.96Å; P699-W701 HydrophobicContact CB-CZ2 3.77Å; P699-W701 HydrophobicContact CB-CZ3 4.23Å; P699-W701 HydrophobicContact CG-CH2 3.83Å; P699-W701 HydrophobicContact CG-CZ2 3.6Å; P699-W701 PolarHBondContact O-N 3.14Å; P699-W701 PolarHBondContact O-NE1 3.32Å; P699-I707 HydrophobicContact CB-CD1 3.67Å
700	K	87.1	Confident	86.7	Confident	173 Å²	173	71.2 Å²	71.2	75%	0.752	38%	0.384	S	S	*	.			trans	-74.3	83.9	174.9	-69.4	-176.7	179.7	179.4	0	110.3	E698 D702 D703	E698-K700 PolarHBondContact O-N 3.2Å; K700-D702 PolarHBondContact O-N 3.07Å; K700-D703 HydrophobicContact CB-CB 4.45Å; K700-D703 PolarHBondContact O-N 3.07Å
701	W	85.9	Confident	86.6	Confident	18 Å²	18	70.4 Å²	70.4	7%	0.068	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-11.5	-174.5	-57	109.9	0	0	0	115.5	Y611 K612 Y614 V626 F634 F693 E698 P699 I707	Y611-W701 HydrophobicContact CD1-CZ2 4.43Å; Y611-W701 AromaticContact CE1-CD1 3.83Å; Y611-W701 HydrophobicContact CE1-CD2 4.44Å; Y611-W701 AromaticContact CE1-CE2 3.81Å; Y611-W701 HydrophobicContact CE1-CG 4.44Å; Y611-W701 HydrophobicContact CE1-CZ2 4.31Å; Y611-W701 AromaticContact CE1-NE1 3.41Å; K612-W701 HydrophobicContact CD-CB 3.77Å; K612-W701 HydrophobicContact CD-CG 4.48Å; K612-W701 VanDerWaalsContact NZ-C 3.3Å; K612-W701 PolarHBondContact NZ-O 3.32Å; Y614-W701 PolarHBondContact OH-O 3.33Å; V626-W701 HydrophobicContact CB-CZ3 4.46Å; V626-W701 HydrophobicContact CG1-CH2 3.63Å; V626-W701 HydrophobicContact CG1-CZ2 4.27Å; V626-W701 HydrophobicContact CG1-CZ3 3.79Å; V626-W701 HydrophobicContact CG2-CE3 4.22Å; V626-W701 HydrophobicContact CG2-CZ3 3.82Å; F634-W701 HydrophobicContact CB-CH2 3.82Å; F634-W701 HydrophobicContact CB-CZ2 4.02Å; F634-W701 HydrophobicContact CD1-CH2 4.39Å; F634-W701 AromaticContact CD1-CZ2 3.87Å; F634-W701 HydrophobicContact CD1-CZ2 3.87Å; F634-W701 HydrophobicContact CD2-CH2 4.43Å; F634-W701 AromaticContact CD2-CZ2 3.83Å; F634-W701 HydrophobicContact CD2-CZ2 3.83Å; F634-W701 HydrophobicContact CE1-CZ2 4.21Å; F634-W701 HydrophobicContact CE2-CZ2 4.17Å; F634-W701 HydrophobicContact CG-CH2 4Å; F634-W701 AromaticContact CG-CZ2 3.65Å; F634-W701 HydrophobicContact CG-CZ2 3.65Å; F634-W701 HydrophobicContact CZ-CZ2 4.34Å; F693-W701 HydrophobicContact CD2-CH2 4.16Å; F693-W701 HydrophobicContact CD2-CZ3 4.43Å; F693-W701 HydrophobicContact CE2-CZ3 4.39Å; F693-W701 HydrophobicContact CG-CH2 4.32Å; E698-W701 PolarHBondContact OE1-NE1 2.91Å; P699-W701 VanDerWaalsContact C-N 3.3Å; P699-W701 HydrophobicContact CB-CD2 4.16Å; P699-W701 HydrophobicContact CB-CE3 4.33Å; P699-W701 HydrophobicContact CB-CH2 3.96Å; P699-W701 HydrophobicContact CB-CZ2 3.77Å; P699-W701 HydrophobicContact CB-CZ3 4.23Å; P699-W701 HydrophobicContact CG-CH2 3.83Å; P699-W701 HydrophobicContact CG-CZ2 3.6Å; P699-W701 PolarHBondContact O-N 3.14Å; P699-W701 PolarHBondContact O-NE1 3.32Å; W701-I707 HydrophobicContact CE3-CD1 4.05Å; W701-I707 HydrophobicContact CE3-CG2 4.32Å; W701-I707 HydrophobicContact CZ3-CD1 4.26Å; W701-I707 HydrophobicContact CZ3-CG2 4.34Å
702	D	84.1	Confident	86.7	Confident	142 Å²	142	69.2 Å²	69.2	76%	0.759	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-15	176.1	-57.1	-39.2	0	0	0	112.9	K612 K700 E704	K612-D702 IonicContact NZ-OD1 3.81Å; K612-D702 PolarHBondContact NZ-OD1 2.86Å; K700-D702 PolarHBondContact O-N 3.07Å; D702-E704 VanDerWaalsContact C-N 3.28Å; D702-E704 PolarHBondContact O-N 3.42Å; D702-E704 VanDerWaalsContact O-N 3.08Å
703	D	86.1	Confident	86.8	Confident	68 Å²	68	65.8 Å²	65.8	36%	0.364	36%	0.36	S	S	.	.			trans	-83.3	72	168.2	-176.2	2.2	0	0	0	110.3	K700 N705 N706 I707	K700-D703 HydrophobicContact CB-CB 4.45Å; K700-D703 PolarHBondContact O-N 3.07Å; D703-N705 PolarHBondContact O-N 3.47Å; D703-N705 VanDerWaalsContact O-N 3.13Å; D703-N706 HydrophobicContact CB-CB 4.4Å; D703-N706 VanDerWaalsContact CG-CB 3.45Å; D703-N706 PolarHBondContact O-N 3.39Å; D703-N706 PolarHBondContact OD1-N 2.94Å; D703-N706 WeakPolarHBondContact OD2-CB 3.49Å; D703-I707 VanDerWaalsContact O-CG1 3.3Å; D703-I707 WeakPolarHBondContact O-CG1 3.47Å; D703-I707 PolarHBondContact O-N 2.7Å; D703-I707 VanDerWaalsContact O-N 3.09Å
704	E	81.1	Confident	87	Confident	72 Å²	72	64.9 Å²	64.9	34%	0.336	36%	0.356	S	S	.	.	H	α-helix	trans	-53.5	-34.1	-179.3	-65.6	-160.9	150.7	0	0	113.1	Y614 R620 D702 L708	Y614-E704 HydrophobicContact CD1-CG 4.11Å; Y614-E704 VanDerWaalsContact CD1-OE1 3.3Å; Y614-E704 WeakPolarHBondContact CD1-OE1 3.43Å; Y614-E704 HydrophobicContact CE1-CG 3.83Å; R620-E704 IonicContact CZ-OE1 2.76Å; R620-E704 IonicContact CZ-OE2 2.66Å; R620-E704 IonicContact NH1-OE1 2.91Å; R620-E704 PolarHBondContact NH1-OE1 3.23Å; R620-E704 IonicContact NH1-OE2 2.64Å; R620-E704 PolarHBondContact NH1-OE2 2.75Å; R620-E704 IonicContact NH2-OE1 2.68Å; D702-E704 VanDerWaalsContact C-N 3.28Å; D702-E704 PolarHBondContact O-N 3.42Å; D702-E704 VanDerWaalsContact O-N 3.08Å; E704-L708 HydrophobicContact CB-CD1 4.28Å; E704-L708 WeakPolarHBondContact O-CB 3.28Å; E704-L708 WeakPolarHBondContact O-CG 3.27Å; E704-L708 PolarHBondContact O-N 3.4Å
705	N	82.2	Confident	87.3	Confident	134 Å²	134	61.8 Å²	61.8	72%	0.717	33%	0.33	S	S	*	.	H	α-helix	trans	-67.4	-40.1	-175.4	-75.9	-39.8	0	0	0	111.6	D703 T709	D703-N705 PolarHBondContact O-N 3.47Å; D703-N705 VanDerWaalsContact O-N 3.13Å; N705-T709 VanDerWaalsContact O-CG2 3.28Å; N705-T709 WeakPolarHBondContact O-CG2 3.14Å
706	N	85.7	Confident	88	Confident	94 Å²	94	58.6 Å²	58.6	50%	0.503	31%	0.308	S	S	.	.	H	α-helix	trans	-76.7	-45.6	177.3	-167.5	-17	0	0	0	111.6	R691 D703 L708 T709	R691-N706 PolarHBondContact NH1-O 2.87Å; D703-N706 HydrophobicContact CB-CB 4.4Å; D703-N706 VanDerWaalsContact CG-CB 3.45Å; D703-N706 PolarHBondContact O-N 3.39Å; D703-N706 PolarHBondContact OD1-N 2.94Å; D703-N706 WeakPolarHBondContact OD2-CB 3.49Å; N706-L708 VanDerWaalsContact C-N 3.31Å; N706-L708 PolarHBondContact O-N 2.94Å; N706-T709 PolarHBondContact O-N 3.05Å; N706-T709 PolarHBondContact O-OG1 2.9Å
707	I	87.9	Confident	88.7	Confident	8 Å²	8	52 Å²	52	4%	0.041	27%	0.273	C	S	.	.	H	α-helix	trans	-56.8	-43.9	178.7	-65	-66.5	0	0	0	111.3	Y614 M636 R691 F693 P699 W701 D703 T709	Y614-I707 HydrophobicContact CE2-CG2 4.18Å; M636-I707 HydrophobicContact CE-CG2 4.19Å; M636-I707 WeakPolarHBondContact CE-O 3.31Å; M636-I707 HydrophobicContact SD-CG2 3.82Å; R691-I707 PolarHBondContact NH1-O 3.22Å; F693-I707 HydrophobicContact CE1-CD1 3.92Å; F693-I707 HydrophobicContact CZ-CD1 4.31Å; F693-I707 HydrophobicContact CZ-CG2 4.03Å; P699-I707 HydrophobicContact CB-CD1 3.67Å; W701-I707 HydrophobicContact CE3-CD1 4.05Å; W701-I707 HydrophobicContact CE3-CG2 4.32Å; W701-I707 HydrophobicContact CZ3-CD1 4.26Å; W701-I707 HydrophobicContact CZ3-CG2 4.34Å; D703-I707 VanDerWaalsContact O-CG1 3.3Å; D703-I707 WeakPolarHBondContact O-CG1 3.47Å; D703-I707 PolarHBondContact O-N 2.7Å; D703-I707 VanDerWaalsContact O-N 3.09Å; I707-T709 VanDerWaalsContact C-N 3.26Å; I707-T709 PolarHBondContact O-N 2.96Å
708	L	86.5	Confident	89.4	Confident	5 Å²	5	47 Å²	47	3%	0.026	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	29	-177.7	-58.7	172.3	0	0	0	114.4	S624 M636 K648 E704 N706	S624-L708 WeakPolarHBondContact OG-CD2 3.43Å; M636-L708 HydrophobicContact CE-CD2 4.13Å; M636-L708 HydrophobicContact SD-CD2 3.88Å; K648-L708 VanDerWaalsContact CD-O 3.23Å; K648-L708 WeakPolarHBondContact CD-O 3.47Å; K648-L708 WeakPolarHBondContact CG-O 3.45Å; K648-L708 PolarHBondContact NZ-O 3.32Å; K648-L708 VanDerWaalsContact NZ-O 3.17Å; E704-L708 HydrophobicContact CB-CD1 4.28Å; E704-L708 WeakPolarHBondContact O-CB 3.28Å; E704-L708 WeakPolarHBondContact O-CG 3.27Å; E704-L708 PolarHBondContact O-N 3.4Å; N706-L708 VanDerWaalsContact C-N 3.31Å; N706-L708 PolarHBondContact O-N 2.94Å
709	T	90.9	Very high	89.8	Confident	56 Å²	56	42.3 Å²	42.3	34%	0.344	22%	0.218	S	C	.	.	S	Bend	trans	-120.4	175.3	169.7	59.2	0	0	0	0	111.2	K648 R691 N705 N706 I707 L711	K648-T709 CarbonylContact O-C 3.53Å; R691-T709 WeakPolarHBondContact CD-O 3.4Å; R691-T709 VanDerWaalsContact CZ-O 3.28Å; R691-T709 PolarHBondContact NE-O 3.5Å; R691-T709 PolarHBondContact NH1-O 3.09Å; N705-T709 VanDerWaalsContact O-CG2 3.28Å; N705-T709 WeakPolarHBondContact O-CG2 3.14Å; N706-T709 PolarHBondContact O-N 3.05Å; N706-T709 PolarHBondContact O-OG1 2.9Å; I707-T709 VanDerWaalsContact C-N 3.26Å; I707-T709 PolarHBondContact O-N 2.96Å; T709-L711 VanDerWaalsContact C-N 3.29Å; T709-L711 PolarHBondContact O-N 2.73Å
710	D	92.8	Very high	89.9	Confident	73 Å²	73	42.3 Å²	42.3	39%	0.39	22%	0.217	S	C	.	.	S	Bend	trans	56.5	41.7	173.8	177.6	55.1	0	0	0	112.9	K648 S650 R691	K648-D710 PolarHBondContact O-N 2.59Å; S650-D710 WeakPolarHBondContact CB-OD1 3.21Å; S650-D710 VanDerWaalsContact OG-C 3.3Å; S650-D710 WeakPolarHBondContact OG-CA 3.47Å; S650-D710 PolarHBondContact OG-O 2.88Å; S650-D710 PolarHBondContact OG-OD1 3.46Å; R691-D710 VanDerWaalsContact CD-O 3.25Å; R691-D710 WeakPolarHBondContact CD-O 2.89Å; R691-D710 IonicContact CZ-OD2 3.33Å; R691-D710 PolarHBondContact NE-O 2.91Å; R691-D710 IonicContact NE-OD2 3.2Å; R691-D710 PolarHBondContact NE-OD2 2.95Å; R691-D710 IonicContact NH2-OD2 2.52Å; R691-D710 PolarHBondContact NH2-OD2 3.4Å
711	L	95	Very high	89.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	157	179.9	-51.4	175.7	0	0	0	111.8	M636 V645 K648 C649 S650 H651 A689 R691 T709	M636-L711 HydrophobicContact CE-CD2 3.56Å; V645-L711 HydrophobicContact CG1-CD1 4.18Å; K648-L711 HydrophobicContact CB-CD1 4.03Å; K648-L711 HydrophobicContact CB-CG 4.46Å; K648-L711 PolarHBondContact O-N 2.78Å; C649-L711 CarbonylContact C-O 3.45Å; C649-L711 WeakPolarHBondContact CA-O 3.22Å; C649-L711 HydrophobicContact CB-CB 4.45Å; C649-L711 WeakPolarHBondContact CB-O 3.28Å; S650-L711 PolarHBondContact N-O 3Å; S650-L711 PolarHBondContact OG-O 3.48Å; H651-L711 PolarHBondContact N-O 3.29Å; A689-L711 HydrophobicContact CB-CB 4.16Å; A689-L711 HydrophobicContact CB-CD1 4.37Å; R691-L711 HydrophobicContact CB-CD2 3.87Å; T709-L711 VanDerWaalsContact C-N 3.29Å; T709-L711 PolarHBondContact O-N 2.73Å
712	T	96.3	Very high	89.8	Confident	15 Å²	15	35.1 Å²	35.1	9%	0.092	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	117.4	166.7	-58.5	0	0	0	0	109.8	H651 L653 P659 A689 Y690	H651-T712 HydrophobicContact CB-CG2 4.02Å; H651-T712 WeakPolarHBondContact O-CA 3.42Å; L653-T712 HydrophobicContact CD2-CG2 3.96Å; L653-T712 HydrophobicContact CG-CG2 4.24Å; P659-T712 HydrophobicContact CB-CG2 4.11Å; P659-T712 HydrophobicContact CG-CG2 4.36Å; A689-T712 CarbonylContact C-O 3.52Å; A689-T712 WeakPolarHBondContact CA-O 3.45Å; A689-T712 VanDerWaalsContact CB-O 3.31Å; A689-T712 WeakPolarHBondContact CB-O 3.41Å; Y690-T712 HydrophobicContact CD1-CG2 4.26Å; Y690-T712 HydrophobicContact CE1-CG2 3.55Å; Y690-T712 PolarHBondContact N-O 2.97Å; Y690-T712 PolarHBondContact O-N 3.11Å
713	A	95.9	Very high	90.1	Very high	2 Å²	2	29.7 Å²	29.7	2%	0.017	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	128.3	175.5	0	0	0	0	0	111	L646 C649 H651 I652 L653	L646-A713 HydrophobicContact CD2-CB 3.91Å; C649-A713 HydrophobicContact CB-CB 4.21Å; H651-A713 PolarHBondContact O-N 3.21Å; I652-A713 WeakPolarHBondContact CA-O 3.28Å; I652-A713 HydrophobicContact CB-CB 4.24Å; I652-A713 HydrophobicContact CD1-CB 4.46Å; I652-A713 HydrophobicContact CG1-CB 4Å; L653-A713 PolarHBondContact N-O 3.33Å
714	I	95.2	Very high	90.1	Very high	4 Å²	4	28 Å²	28	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-53.1	176.9	-60.7	165.2	0	0	0	109.5	L551 L552 A555 L653 V688 Y690	L551-I714 HydrophobicContact CB-CD1 4.37Å; L552-I714 HydrophobicContact CB-CG2 3.85Å; L552-I714 HydrophobicContact CD1-CG2 4.11Å; A555-I714 HydrophobicContact CB-CD1 3.85Å; L653-I714 HydrophobicContact CD1-CB 4.34Å; L653-I714 HydrophobicContact CD1-CG1 4.14Å; L653-I714 HydrophobicContact CD1-CG2 4.13Å; V688-I714 HydrophobicContact CG1-CD1 4.3Å; V688-I714 WeakPolarHBondContact O-CB 3.47Å; V688-I714 PolarHBondContact O-N 2.92Å; Y690-I714 HydrophobicContact CD1-CD1 3.7Å; Y690-I714 HydrophobicContact CD1-CG1 3.61Å; Y690-I714 HydrophobicContact CE1-CG1 4.13Å; Y690-I714 HydrophobicContact CG-CD1 4.33Å
715	C	94	Very high	90.5	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.02	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	163.6	-179	73.9	0	0	0	0	112.5	Y529 V530 L552 C687 V688	Y529-C715 CarbonylContact O-C 3.3Å; Y529-C715 WeakPolarHBondContact O-CA 3.42Å; Y529-C715 WeakPolarHBondContact O-CB 3.48Å; V530-C715 HydrophobicContact CB-CB 4.17Å; V530-C715 HydrophobicContact CG2-CB 4.43Å; L552-C715 HydrophobicContact CD1-CB 4.38Å; L552-C715 WeakPolarHBondContact CD1-SG 3.35Å; C687-C715 WeakPolarHBondContact CA-O 3.33Å; V688-C715 PolarHBondContact N-O 3.09Å; V688-C715 PolarHBondContact O-N 3.44Å
716	V	95.3	Very high	90.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.9	161.2	-176.8	0	0	0	0	108.5	C528 Y529 L646 M670 I675 M678 I686 C687	C528-V716 CarbonylContact C-O 3.4Å; C528-V716 VanDerWaalsContact CA-O 3.32Å; C528-V716 WeakPolarHBondContact CA-O 3.21Å; Y529-V716 PolarHBondContact N-O 3.37Å; Y529-V716 PolarHBondContact O-N 3Å; L646-V716 HydrophobicContact CD1-CG2 4.06Å; L646-V716 HydrophobicContact CD2-CG2 4.46Å; M670-V716 HydrophobicContact CE-CG2 3.92Å; I675-V716 HydrophobicContact CG1-CG1 4.26Å; M678-V716 HydrophobicContact SD-CG1 4.37Å; I686-V716 CarbonylContact O-C 3.49Å; I686-V716 WeakPolarHBondContact O-CA 3.38Å; C687-V716 HydrophobicContact CB-CG2 4.38Å
717	V	95.1	Very high	91.3	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.3	179.9	-172.5	0	0	0	0	109.3	A525 L587 L590 T685 I686 I719	A525-V717 HydrophobicContact CB-CG1 3.6Å; L587-V717 HydrophobicContact CD2-CB 4.2Å; L587-V717 HydrophobicContact CD2-CG1 4.32Å; L587-V717 HydrophobicContact CD2-CG2 4.06Å; L590-V717 HydrophobicContact CD2-CG1 3.98Å; L590-V717 HydrophobicContact CD2-CG2 3.69Å; T685-V717 WeakPolarHBondContact CA-O 3.48Å; I686-V717 PolarHBondContact N-O 2.77Å; I686-V717 PolarHBondContact O-N 2.92Å; V717-I719 HydrophobicContact CB-CG1 4.45Å; V717-I719 HydrophobicContact CG1-CG1 3.81Å
718	G	93.8	Very high	91.7	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	109.9	166.8	0	0	0	0	0	109.9	V526 Q527	V526-G718 PolarHBondContact N-O 3.48Å; Q527-G718 PolarHBondContact N-O 3.27Å; Q527-G718 PolarHBondContact O-N 3.45Å
719	I	89.9	Confident	92.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.2	179.7	-55.2	177	0	0	0	108.7	M523 T524 T583 L587 R684 I686 V717	M523-I719 HydrophobicContact CB-CG2 3.78Å; M523-I719 HydrophobicContact CG-CG2 4.44Å; M523-I719 HydrophobicContact SD-CG2 4.1Å; T524-I719 CarbonylContact O-C 3.51Å; T524-I719 WeakPolarHBondContact O-CA 3.23Å; T524-I719 WeakPolarHBondContact O-CG2 3.42Å; T583-I719 HydrophobicContact CG2-CD1 3.98Å; L587-I719 HydrophobicContact CD2-CD1 3.85Å; L587-I719 HydrophobicContact CG-CD1 3.91Å; R684-I719 WeakPolarHBondContact CB-O 3.37Å; R684-I719 PolarHBondContact N-O 3.4Å; R684-I719 PolarHBondContact O-N 3.02Å; I686-I719 HydrophobicContact CB-CD1 4.44Å; I686-I719 HydrophobicContact CG1-CD1 3.9Å; V717-I719 HydrophobicContact CB-CG1 4.45Å; V717-I719 HydrophobicContact CG1-CG1 3.81Å
720	E	87.6	Confident	92.3	Very high	21 Å²	21	24.9 Å²	24.9	10%	0.098	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	166.5	168.9	59.4	172.6	-156.3	0	0	113	M523 T524 V526 L683 K758	M523-E720 CarbonylContact C-O 3.52Å; M523-E720 WeakPolarHBondContact CA-O 3.22Å; T524-E720 PolarHBondContact N-O 2.75Å; T524-E720 PolarHBondContact O-N 3.08Å; T524-E720 PolarHBondContact OG1-O 3.36Å; V526-E720 HydrophobicContact CB-CG 4.28Å; V526-E720 HydrophobicContact CG2-CG 3.58Å; L683-E720 HydrophobicContact CD2-CB 3.62Å; L683-E720 HydrophobicContact CD2-CG 3.78Å; L683-E720 VanDerWaalsContact CD2-OE2 3.3Å; L683-E720 WeakPolarHBondContact CD2-OE2 3.37Å; E720-K758 VanDerWaalsContact CD-NZ 3.28Å; E720-K758 IonicContact OE1-NZ 2.69Å; E720-K758 PolarHBondContact OE1-NZ 3.42Å; E720-K758 VanDerWaalsContact OE1-NZ 3.12Å; E720-K758 IonicContact OE2-NZ 3.66Å; E720-K758 PolarHBondContact OE2-NZ 2.86Å
721	D	84.3	Confident	92.4	Very high	9 Å²	9	21.4 Å²	21.4	5%	0.048	12%	0.123	C	C	.	.			trans	-101.3	101.7	165.3	179.4	17.8	0	0	0	106.5	K514 T519 N521 R522 M523	K514-D721 IonicContact NZ-OD2 2.73Å; T519-D721 WeakPolarHBondContact CB-OD1 3.39Å; T519-D721 VanDerWaalsContact CB-OD2 3.26Å; T519-D721 WeakPolarHBondContact CB-OD2 3.47Å; T519-D721 VanDerWaalsContact CG2-O 3.31Å; T519-D721 WeakPolarHBondContact CG2-O 3.43Å; T519-D721 PolarHBondContact OG1-OD1 3.36Å; T519-D721 PolarHBondContact OG1-OD2 3.25Å; N521-D721 WeakPolarHBondContact CA-OD1 3.28Å; N521-D721 PolarHBondContact N-OD1 3.45Å; R522-D721 PolarHBondContact N-OD1 3.02Å; R522-D721 VanDerWaalsContact N-OD1 3.12Å; M523-D721 HydrophobicContact CE-CB 3.95Å; M523-D721 HydrophobicContact SD-CB 4.12Å
722	P	86.3	Confident	92.4	Very high	30 Å²	30	26.1 Å²	26.1	20%	0.195	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-73	147.2	-165.9	28.6	-32.2	0	0	0	111.4	T519 T520 R522 T524	T519-P722 CarbonylContact C-O 3.45Å; T519-P722 VanDerWaalsContact CA-O 3.29Å; T519-P722 WeakPolarHBondContact CA-O 3.08Å; T519-P722 WeakPolarHBondContact CB-O 3.26Å; T520-P722 HydrophobicContact CG2-CG 4.5Å; T520-P722 PolarHBondContact N-O 3.33Å; T520-P722 WeakPolarHBondContact OG1-CD 3.28Å; T520-P722 WeakPolarHBondContact OG1-CG 3.25Å; T520-P722 PolarHBondContact OG1-O 3.25Å; R522-P722 WeakPolarHBondContact O-CD 3.24Å; T524-P722 HydrophobicContact CG2-CG 4.45Å
723	V	89.9	Confident	92.3	Very high	29 Å²	29	28.2 Å²	28.2	18%	0.176	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-63.9	139.6	173.4	178.8	0	0	0	0	109.6	V727 I755 K758 C759	V723-V727 HydrophobicContact CG1-CB 3.99Å; V723-V727 HydrophobicContact CG1-CG1 3.94Å; V723-I755 HydrophobicContact CG2-CD1 4.22Å; V723-I755 HydrophobicContact CG2-CG2 3.88Å; V723-K758 HydrophobicContact CG2-CB 4.12Å; V723-C759 VanDerWaalsContact CG1-SG 3.54Å
724	R	87.1	Confident	92.3	Very high	33 Å²	33	28.3 Å²	28.3	13%	0.125	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-66.6	134.1	176.1	-58.1	173.4	176.7	-99.4	4.2	110	G516 T517 L518 T519 T520 E726 V727 D870	G516-R724 PolarHBondContact O-NH2 2.91Å; T517-R724 WeakPolarHBondContact O-CD 3.43Å; T517-R724 PolarHBondContact O-NE 3.11Å; T517-R724 VanDerWaalsContact O-NE 3.07Å; L518-R724 PolarHBondContact O-N 3.26Å; L518-R724 VanDerWaalsContact O-N 3.1Å; T519-R724 PolarHBondContact O-NE 2.82Å; T520-R724 HydrophobicContact CG2-CG 3.94Å; R724-E726 PolarHBondContact O-N 3.38Å; R724-V727 HydrophobicContact CB-CB 4.45Å; R724-V727 HydrophobicContact CB-CG2 3.79Å; R724-V727 HydrophobicContact CG-CG2 4.43Å; R724-V727 WeakPolarHBondContact O-CB 3.36Å; R724-V727 PolarHBondContact O-N 3.12Å; R724-D870 PolarHBondContact NE-O 3.14Å; R724-D870 PolarHBondContact NH1-O 3.43Å; R724-D870 PolarHBondContact NH2-O 3.11Å
725	P	89.4	Confident	92.1	Very high	120 Å²	120	30.9 Å²	30.9	78%	0.779	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-30.8	-173.8	-29.2	35.6	0	0	0	115.7
726	E	90.2	Very high	92.1	Very high	53 Å²	53	37.9 Å²	37.9	25%	0.248	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-15.3	-177.4	68.8	-79.6	-169.7	0	0	114.8	R724 A730 N871	R724-E726 PolarHBondContact O-N 3.38Å; E726-A730 WeakPolarHBondContact O-CB 3.39Å; E726-A730 PolarHBondContact O-N 3.3Å; E726-A730 VanDerWaalsContact O-N 3.1Å; E726-N871 VanDerWaalsContact CG-OD1 3.27Å; E726-N871 WeakPolarHBondContact CG-OD1 3.33Å; E726-N871 VanDerWaalsContact OE1-CG 3.24Å; E726-N871 PolarHBondContact OE1-ND2 3.15Å; E726-N871 PolarHBondContact OE1-OD1 3.07Å
727	V	94.3	Very high	92	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-43.5	-176.9	159.4	0	0	0	0	113.3	L518 V723 R724 D729 A730 I731 C759 F872	L518-V727 HydrophobicContact CD2-CG1 3.85Å; L518-V727 HydrophobicContact CD2-CG2 4.47Å; V723-V727 HydrophobicContact CG1-CB 3.99Å; V723-V727 HydrophobicContact CG1-CG1 3.94Å; R724-V727 HydrophobicContact CB-CB 4.45Å; R724-V727 HydrophobicContact CB-CG2 3.79Å; R724-V727 HydrophobicContact CG-CG2 4.43Å; R724-V727 WeakPolarHBondContact O-CB 3.36Å; R724-V727 PolarHBondContact O-N 3.12Å; V727-D729 PolarHBondContact O-N 2.68Å; V727-A730 PolarHBondContact O-N 2.57Å; V727-I731 HydrophobicContact CG1-CD1 3.5Å; V727-I731 VanDerWaalsContact CG1-CD1 3.5Å; V727-I731 HydrophobicContact CG1-CG1 4.33Å; V727-I731 WeakPolarHBondContact O-CB 3.38Å; V727-I731 WeakPolarHBondContact O-CG1 3.46Å; V727-I731 PolarHBondContact O-N 3Å; V727-C759 HydrophobicContact CG1-CB 4.2Å; V727-F872 HydrophobicContact CG2-CB 3.69Å; V727-F872 HydrophobicContact CG2-CG 4.38Å
728	P	95.2	Very high	91.9	Very high	51 Å²	51	39.4 Å²	39.4	33%	0.331	21%	0.207	S	C	.	.	H	α-helix	trans	-61.3	-43.1	179.4	-25.8	35.9	0	0	0	114.2	Q732	P728-Q732 PolarHBondContact O-N 2.75Å
729	D	95.3	Very high	92	Very high	77 Å²	77	39.5 Å²	39.5	41%	0.412	21%	0.207	S	C	.	.	H	α-helix	trans	-67	-41.5	175.5	169.3	64.4	0	0	0	111.5	V727 I731 Q732 K733	V727-D729 PolarHBondContact O-N 2.68Å; D729-I731 PolarHBondContact O-N 2.85Å; D729-Q732 PolarHBondContact O-N 2.52Å; D729-K733 WeakPolarHBondContact O-CB 3.48Å; D729-K733 WeakPolarHBondContact O-CG 3.37Å; D729-K733 PolarHBondContact O-N 2.73Å; D729-K733 VanDerWaalsContact OD1-CE 3.24Å; D729-K733 WeakPolarHBondContact OD1-CE 3.36Å; D729-K733 IonicContact OD1-NZ 3.89Å; D729-K733 PolarHBondContact OD1-NZ 2.93Å; D729-K733 VanDerWaalsContact OD2-CE 3.24Å; D729-K733 WeakPolarHBondContact OD2-CE 3.24Å; D729-K733 IonicContact OD2-NZ 3.36Å; D729-K733 PolarHBondContact OD2-NZ 3.22Å
730	A	95.2	Very high	92.1	Very high	2 Å²	2	41.6 Å²	41.6	2%	0.017	22%	0.22	C	C	.	.	H	α-helix	trans	-62.8	-40.2	177.2	0	0	0	0	0	112.5	E726 V727 K733 C734 F872 V876	E726-A730 WeakPolarHBondContact O-CB 3.39Å; E726-A730 PolarHBondContact O-N 3.3Å; E726-A730 VanDerWaalsContact O-N 3.1Å; V727-A730 PolarHBondContact O-N 2.57Å; A730-K733 PolarHBondContact O-N 3.31Å; A730-C734 PolarHBondContact O-N 3.39Å; A730-F872 HydrophobicContact CB-CD1 3.75Å; A730-F872 HydrophobicContact CB-CE1 4.39Å; A730-V876 HydrophobicContact CB-CG2 3.76Å
731	I	95.7	Very high	92.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.8	-43.4	174.7	-72.9	167.8	0	0	0	111.1	L518 V727 D729 K733 C734 Q735 V741 C759 I761 F872	L518-I731 HydrophobicContact CD2-CD1 4.17Å; V727-I731 HydrophobicContact CG1-CD1 3.5Å; V727-I731 VanDerWaalsContact CG1-CD1 3.5Å; V727-I731 HydrophobicContact CG1-CG1 4.33Å; V727-I731 WeakPolarHBondContact O-CB 3.38Å; V727-I731 WeakPolarHBondContact O-CG1 3.46Å; V727-I731 PolarHBondContact O-N 3Å; D729-I731 PolarHBondContact O-N 2.85Å; I731-K733 VanDerWaalsContact C-N 3.27Å; I731-K733 PolarHBondContact O-N 3.28Å; I731-C734 WeakPolarHBondContact O-CB 3.39Å; I731-C734 PolarHBondContact O-N 3.16Å; I731-C734 VanDerWaalsContact O-N 3.17Å; I731-Q735 HydrophobicContact CG2-CG 4.41Å; I731-Q735 WeakPolarHBondContact O-CG 3.39Å; I731-Q735 PolarHBondContact O-N 3.37Å; I731-V741 HydrophobicContact CG1-CG1 4.46Å; I731-V741 HydrophobicContact CG1-CG2 4.44Å; I731-V741 HydrophobicContact CG2-CG2 4.4Å; I731-C759 HydrophobicContact CD1-CB 3.74Å; I731-C759 WeakPolarHBondContact CD1-O 3.49Å; I731-I761 HydrophobicContact CD1-CD1 4.11Å; I731-I761 HydrophobicContact CD1-CG1 3.76Å; I731-I761 HydrophobicContact CG2-CG1 4.26Å; I731-F872 HydrophobicContact CG1-CD1 4.27Å; I731-F872 HydrophobicContact CG1-CE1 3.7Å; I731-F872 HydrophobicContact CG1-CZ 4.19Å
732	Q	94.4	Very high	93.1	Very high	99 Å²	99	40.6 Å²	40.6	46%	0.463	22%	0.215	S	C	.	.	H	α-helix	trans	-60.4	-38.2	175.4	-167.1	-172.9	70.8	0	0	111.7	P728 D729 R736	P728-Q732 PolarHBondContact O-N 2.75Å; D729-Q732 PolarHBondContact O-N 2.52Å; Q732-R736 VanDerWaalsContact O-CB 3.31Å; Q732-R736 WeakPolarHBondContact O-CB 3.41Å; Q732-R736 PolarHBondContact O-N 3.05Å; Q732-R736 VanDerWaalsContact OE1-NH2 3.17Å
733	K	94.7	Very high	93.5	Very high	59 Å²	59	39.1 Å²	39.1	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-64.4	-43.9	173.8	-76.1	167.5	176.1	167.6	0	112.1	D729 A730 I731 R736 A737 V876	D729-K733 WeakPolarHBondContact O-CB 3.48Å; D729-K733 WeakPolarHBondContact O-CG 3.37Å; D729-K733 PolarHBondContact O-N 2.73Å; D729-K733 VanDerWaalsContact OD1-CE 3.24Å; D729-K733 WeakPolarHBondContact OD1-CE 3.36Å; D729-K733 IonicContact OD1-NZ 3.89Å; D729-K733 PolarHBondContact OD1-NZ 2.93Å; D729-K733 VanDerWaalsContact OD2-CE 3.24Å; D729-K733 WeakPolarHBondContact OD2-CE 3.24Å; D729-K733 IonicContact OD2-NZ 3.36Å; D729-K733 PolarHBondContact OD2-NZ 3.22Å; A730-K733 PolarHBondContact O-N 3.31Å; I731-K733 VanDerWaalsContact C-N 3.27Å; I731-K733 PolarHBondContact O-N 3.28Å; K733-R736 PolarHBondContact O-N 3.3Å; K733-A737 WeakPolarHBondContact O-CB 3.44Å; K733-A737 PolarHBondContact O-N 2.73Å; K733-V876 HydrophobicContact CB-CG1 4.03Å; K733-V876 HydrophobicContact CD-CG1 4.47Å
734	C	94.8	Very high	93.7	Very high	3 Å²	3	38 Å²	38	2%	0.02	20%	0.199	C	C	.	.	H	α-helix	trans	-60.2	-49	173.6	-79.9	0	0	0	0	112.5	A730 I731 R736 A737 G738 I739 V741	A730-C734 PolarHBondContact O-N 3.39Å; I731-C734 WeakPolarHBondContact O-CB 3.39Å; I731-C734 PolarHBondContact O-N 3.16Å; I731-C734 VanDerWaalsContact O-N 3.17Å; C734-R736 PolarHBondContact O-N 3.01Å; C734-A737 CarbonylContact O-C 3.58Å; C734-A737 WeakPolarHBondContact O-CA 3.26Å; C734-A737 WeakPolarHBondContact O-CB 3.46Å; C734-A737 PolarHBondContact O-N 3.09Å; C734-A737 VanDerWaalsContact O-N 3.1Å; C734-G738 PolarHBondContact O-N 3.12Å; C734-I739 CarbonylContact C-O 3.57Å; C734-I739 HydrophobicContact CB-CB 4.2Å; C734-I739 WeakPolarHBondContact O-CB 3.43Å; C734-I739 PolarHBondContact O-N 2.93Å; C734-V741 HydrophobicContact CB-CG2 3.93Å
735	Q	92.8	Very high	93.7	Very high	59 Å²	59	36.6 Å²	36.6	28%	0.276	19%	0.194	S	C	.	.	H	α-helix	trans	-59.7	-45.2	178.4	-71.7	167.9	-15	0	0	111.7	I731 A737 G738 I739 G760	I731-Q735 HydrophobicContact CG2-CG 4.41Å; I731-Q735 WeakPolarHBondContact O-CG 3.39Å; I731-Q735 PolarHBondContact O-N 3.37Å; Q735-A737 VanDerWaalsContact C-N 3.25Å; Q735-A737 PolarHBondContact O-N 3.37Å; Q735-G738 PolarHBondContact O-N 3.42Å; Q735-I739 WeakPolarHBondContact CA-O 3.23Å; Q735-G760 PolarHBondContact NE2-O 3.28Å
736	R	93.3	Very high	93.3	Very high	149 Å²	149	33.3 Å²	33.3	56%	0.562	18%	0.182	S	C	*	.	H	α-helix	trans	-60.9	-33.3	175.1	-171.5	-179.8	-62.7	156.3	7.1	112.7	Q732 K733 C734 G738	Q732-R736 VanDerWaalsContact O-CB 3.31Å; Q732-R736 WeakPolarHBondContact O-CB 3.41Å; Q732-R736 PolarHBondContact O-N 3.05Å; Q732-R736 VanDerWaalsContact OE1-NH2 3.17Å; K733-R736 PolarHBondContact O-N 3.3Å; C734-R736 PolarHBondContact O-N 3.01Å; R736-G738 PolarHBondContact O-N 3.34Å
737	A	93.1	Very high	92.7	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	1.7	174.6	0	0	0	0	0	114.1	K733 C734 Q735 I739 R883 L949 R951	K733-A737 WeakPolarHBondContact O-CB 3.44Å; K733-A737 PolarHBondContact O-N 2.73Å; C734-A737 CarbonylContact O-C 3.58Å; C734-A737 WeakPolarHBondContact O-CA 3.26Å; C734-A737 WeakPolarHBondContact O-CB 3.46Å; C734-A737 PolarHBondContact O-N 3.09Å; C734-A737 VanDerWaalsContact O-N 3.1Å; Q735-A737 VanDerWaalsContact C-N 3.25Å; Q735-A737 PolarHBondContact O-N 3.37Å; A737-I739 HydrophobicContact CB-CD1 4.46Å; A737-I739 HydrophobicContact CB-CG1 4.31Å; A737-R883 PolarHBondContact O-NH2 3.04Å; A737-L949 VanDerWaalsContact CA-O 3.25Å; A737-L949 WeakPolarHBondContact CA-O 3.35Å; A737-L949 HydrophobicContact CB-CB 4.37Å; A737-L949 HydrophobicContact CB-CD2 4.31Å; A737-L949 WeakPolarHBondContact CB-O 3.45Å; A737-L949 PolarHBondContact N-O 3.39Å; A737-R951 VanDerWaalsContact O-O 3.1Å
738	G	92.4	Very high	92	Very high	32 Å²	32	36.2 Å²	36.2	33%	0.33	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	17.9	-178.9	0	0	0	0	0	114.5	C734 Q735 R736	C734-G738 PolarHBondContact O-N 3.12Å; Q735-G738 PolarHBondContact O-N 3.42Å; R736-G738 PolarHBondContact O-N 3.34Å
739	I	95.3	Very high	91.6	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	19%	0.194	C	C	.	.			trans	-103	121.8	-176.7	-48.3	-175.4	0	0	0	109.8	A507 T508 I510 C734 Q735 A737 V741 V879	A507-I739 HydrophobicContact CB-CD1 4.39Å; A507-I739 WeakPolarHBondContact O-CG1 3.29Å; T508-I739 WeakPolarHBondContact O-CA 3.33Å; I510-I739 HydrophobicContact CD1-CG2 3.75Å; I510-I739 HydrophobicContact CG1-CG2 3.75Å; C734-I739 CarbonylContact C-O 3.57Å; C734-I739 HydrophobicContact CB-CB 4.2Å; C734-I739 WeakPolarHBondContact O-CB 3.43Å; C734-I739 PolarHBondContact O-N 2.93Å; Q735-I739 WeakPolarHBondContact CA-O 3.23Å; A737-I739 HydrophobicContact CB-CD1 4.46Å; A737-I739 HydrophobicContact CB-CG1 4.31Å; I739-V741 PolarHBondContact O-N 2.85Å; I739-V879 HydrophobicContact CD1-CB 4.44Å; I739-V879 HydrophobicContact CD1-CG1 3.78Å; I739-V879 HydrophobicContact CD1-CG2 3.78Å
740	T	94	Very high	91	Very high	45 Å²	45	34.7 Å²	34.7	28%	0.276	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	108.5	178.5	-55	0	0	0	0	110.6	T508 A509 I510 R742	T508-T740 PolarHBondContact O-N 3.47Å; A509-T740 WeakPolarHBondContact CA-O 3.44Å; I510-T740 PolarHBondContact N-O 2.96Å; T740-R742 HydrophobicContact CG2-CG 4.42Å
741	V	96.1	Very high	90.4	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	136.1	173.5	-177.5	0	0	0	0	109.3	I510 I731 C734 I739 I761 F872	I510-V741 HydrophobicContact CB-CG2 4.48Å; I510-V741 CarbonylContact O-C 3.55Å; I510-V741 WeakPolarHBondContact O-CA 3.44Å; I731-V741 HydrophobicContact CG1-CG1 4.46Å; I731-V741 HydrophobicContact CG1-CG2 4.44Å; I731-V741 HydrophobicContact CG2-CG2 4.4Å; C734-V741 HydrophobicContact CB-CG2 3.93Å; I739-V741 PolarHBondContact O-N 2.85Å; V741-I761 HydrophobicContact CG1-CD1 4Å; V741-I761 HydrophobicContact CG1-CG1 4.13Å; V741-F872 HydrophobicContact CG1-CZ 4.31Å; V741-F872 HydrophobicContact CG2-CZ 4.36Å
742	R	95.9	Very high	90	Very high	6 Å²	6	35.9 Å²	35.9	2%	0.023	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.6	177.3	-64.3	-179.9	171.8	78.1	-0.5	108.9	I510 S512 T740 W796 L799 R800	I510-R742 PolarHBondContact O-N 3.26Å; S512-R742 PolarHBondContact N-O 3Å; T740-R742 HydrophobicContact CG2-CG 4.42Å; R742-W796 PolarHBondContact NE-O 3.24Å; R742-W796 VanDerWaalsContact NH2-CE3 3.3Å; R742-W796 PolarHBondContact NH2-O 3.32Å; R742-L799 WeakPolarHBondContact CD-O 3.48Å; R742-L799 PolarHBondContact NE-O 3.43Å; R742-L799 VanDerWaalsContact NE-O 3.08Å; R742-R800 WeakPolarHBondContact CA-O 3.18Å
743	M	95.3	Very high	89.8	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.5	172.8	-174.7	-171.1	-67.6	0	0	109.7	S512 K514 L518 T745 A752 I755 A756 I761 R800 V801 L802	S512-M743 WeakPolarHBondContact O-CA 3.27Å; K514-M743 HydrophobicContact CB-CE 4.42Å; K514-M743 HydrophobicContact CB-CG 4.05Å; K514-M743 HydrophobicContact CB-SD 3.91Å; K514-M743 HydrophobicContact CG-CE 4.06Å; K514-M743 HydrophobicContact CG-SD 3.93Å; L518-M743 HydrophobicContact CD1-CE 3.98Å; L518-M743 HydrophobicContact CD1-CG 4.47Å; M743-T745 HydrophobicContact CG-CG2 4.22Å; M743-T745 HydrophobicContact SD-CG2 4.09Å; M743-A752 HydrophobicContact SD-CB 3.94Å; M743-I755 HydrophobicContact CE-CB 4Å; M743-I755 HydrophobicContact CE-CG2 3.68Å; M743-A756 HydrophobicContact CE-CB 3.9Å; M743-I761 HydrophobicContact CB-CD1 4.19Å; M743-I761 HydrophobicContact CE-CD1 4.17Å; M743-R800 PolarHBondContact N-O 2.93Å; M743-V801 HydrophobicContact CB-CG2 4.3Å; M743-V801 WeakPolarHBondContact O-CA 3.34Å; M743-L802 PolarHBondContact O-N 3.39Å
744	V	93.1	Very high	89.5	Confident	6 Å²	6	33 Å²	33	4%	0.036	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	111	176.8	-171.6	0	0	0	0	108.3	C511 S512 D513 L802 K810 L813	C511-V744 HydrophobicContact CB-CG2 4.2Å; S512-V744 PolarHBondContact O-N 3.39Å; D513-V744 WeakPolarHBondContact CA-O 3.31Å; D513-V744 VanDerWaalsContact OD1-O 3.04Å; V744-L802 WeakPolarHBondContact CA-O 3.25Å; V744-L802 HydrophobicContact CG1-CB 4.23Å; V744-L802 HydrophobicContact CG1-CD2 4.11Å; V744-L802 HydrophobicContact CG1-CG 4.38Å; V744-K810 HydrophobicContact CG1-CB 4.39Å; V744-K810 HydrophobicContact CG1-CD 4.08Å; V744-K810 HydrophobicContact CG1-CG 3.7Å; V744-K810 PolarHBondContact O-NZ 3.3Å; V744-L813 HydrophobicContact CG2-CD2 3.84Å
745	T	88.3	Confident	89.2	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.012	18%	0.182	C	C	.	.			trans	-148	151	-168.2	-172.8	0	0	0	0	113.5	K514 M743 D747 A752 L802 A803 R804 S805	K514-T745 HydrophobicContact CB-CG2 4.29Å; M743-T745 HydrophobicContact CG-CG2 4.22Å; M743-T745 HydrophobicContact SD-CG2 4.09Å; T745-D747 HydrophobicContact CG2-CB 3.98Å; T745-D747 PolarHBondContact O-N 3.27Å; T745-D747 PolarHBondContact OG1-N 3.19Å; T745-A752 HydrophobicContact CG2-CB 3.77Å; T745-L802 PolarHBondContact N-O 3.41Å; T745-A803 CarbonylContact O-C 3.57Å; T745-A803 VanDerWaalsContact O-C 3.26Å; T745-A803 WeakPolarHBondContact O-CA 3.29Å; T745-R804 PolarHBondContact O-N 3.33Å; T745-S805 PolarHBondContact N-OG 3.39Å; T745-S805 PolarHBondContact O-N 3.17Å; T745-S805 PolarHBondContact O-OG 2.84Å
746	G	79.8	Confident	89.2	Confident	51 Å²	51	30.3 Å²	30.3	53%	0.526	17%	0.169	S	C	.	.	S	Bend	trans	-71.2	-10.6	170.5	0	0	0	0	0	114.6	R804	G746-R804 WeakPolarHBondContact O-CA 3.29Å
747	D	77.8	Confident	89.2	Confident	52 Å²	52	26.9 Å²	26.9	28%	0.278	16%	0.161	S	C	.	.	S	Bend	trans	-67.2	164.6	-179.3	-89.2	-19.6	0	0	0	113.8	K514 T745 R804	K514-D747 WeakPolarHBondContact CD-OD2 3.43Å; K514-D747 WeakPolarHBondContact CE-OD2 3.3Å; K514-D747 IonicContact NZ-OD2 2.63Å; K514-D747 PolarHBondContact NZ-OD2 3.27Å; T745-D747 HydrophobicContact CG2-CB 3.98Å; T745-D747 PolarHBondContact O-N 3.27Å; T745-D747 PolarHBondContact OG1-N 3.19Å; D747-R804 WeakPolarHBondContact O-CG 3.27Å; D747-R804 PolarHBondContact O-N 3.25Å
748	N	79.6	Confident	89.1	Confident	63 Å²	63	31.4 Å²	31.4	34%	0.337	18%	0.18	S	C	.	.			trans	-67.9	147.1	178	-165.9	21.4	0	0	0	112.1	N750 T751 A752 R804	N748-N750 VanDerWaalsContact C-N 3.29Å; N748-N750 PolarHBondContact O-N 3.32Å; N748-T751 PolarHBondContact O-N 3.41Å; N748-T751 VanDerWaalsContact O-N 3.12Å; N748-A752 PolarHBondContact O-N 3.33Å; N748-R804 PolarHBondContact OD1-NE 3.47Å; N748-R804 VanDerWaalsContact OD1-NE 3.14Å; N748-R804 PolarHBondContact OD1-NH2 3.43Å
749	I	86.5	Confident	89.1	Confident	41 Å²	41	29.9 Å²	29.9	21%	0.21	16%	0.164	C	C	.	.	H	α-helix	trans	-58.3	-35.4	-173.7	-168.1	169.7	0	0	0	114.1	R753 C770 A803	I749-R753 WeakPolarHBondContact O-CB 3.41Å; I749-R753 PolarHBondContact O-N 3.45Å; I749-C770 HydrophobicContact CD1-CB 4.42Å; I749-A803 HydrophobicContact CB-CB 3.85Å; I749-A803 HydrophobicContact CG1-CB 4.16Å
750	N	84	Confident	89.1	Confident	54 Å²	54	30.5 Å²	30.5	29%	0.289	17%	0.171	S	C	.	.	H	α-helix	trans	-66.3	-48.3	177	-69.9	-17.1	0	0	0	111.4	N748 R753 A754	N748-N750 VanDerWaalsContact C-N 3.29Å; N748-N750 PolarHBondContact O-N 3.32Å; N750-R753 PolarHBondContact O-N 2.83Å; N750-R753 PolarHBondContact OD1-NH2 3.42Å; N750-A754 WeakPolarHBondContact O-CB 3.37Å; N750-A754 PolarHBondContact O-N 3.36Å
751	T	81.6	Confident	89.1	Confident	28 Å²	28	28.4 Å²	28.4	17%	0.172	16%	0.158	C	C	.	.	H	α-helix	trans	-60	-50.2	175.1	-54.8	0	0	0	0	111.4	G682 N748 R753 A754 I755	G682-T751 WeakPolarHBondContact O-CG2 3.28Å; N748-T751 PolarHBondContact O-N 3.41Å; N748-T751 VanDerWaalsContact O-N 3.12Å; T751-R753 VanDerWaalsContact C-N 3.31Å; T751-R753 PolarHBondContact O-N 2.81Å; T751-A754 PolarHBondContact O-N 3.12Å; T751-I755 HydrophobicContact CG2-CG1 4.42Å; T751-I755 WeakPolarHBondContact O-CG1 3.42Å; T751-I755 PolarHBondContact O-N 3.25Å
752	A	87.4	Confident	89	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60	-40.6	179.6	0	0	0	0	0	112	M743 T745 N748 A756 V801 A803	M743-A752 HydrophobicContact SD-CB 3.94Å; T745-A752 HydrophobicContact CG2-CB 3.77Å; N748-A752 PolarHBondContact O-N 3.33Å; A752-A756 WeakPolarHBondContact O-CB 3.28Å; A752-A756 PolarHBondContact O-N 3.18Å; A752-V801 HydrophobicContact CB-CG1 3.56Å; A752-A803 HydrophobicContact CB-CB 4.07Å
753	R	89.6	Confident	88.7	Confident	84 Å²	84	31.7 Å²	31.7	32%	0.317	17%	0.174	S	C	.	.	H	α-helix	trans	-65.5	-43.8	174.4	-176.5	178.3	63.2	-125.5	-9.9	112.5	I749 N750 T751 A756 I757	I749-R753 WeakPolarHBondContact O-CB 3.41Å; I749-R753 PolarHBondContact O-N 3.45Å; N750-R753 PolarHBondContact O-N 2.83Å; N750-R753 PolarHBondContact OD1-NH2 3.42Å; T751-R753 VanDerWaalsContact C-N 3.31Å; T751-R753 PolarHBondContact O-N 2.81Å; R753-A756 PolarHBondContact O-N 2.87Å; R753-I757 HydrophobicContact CG-CD1 4.16Å; R753-I757 WeakPolarHBondContact O-CG1 3.46Å; R753-I757 PolarHBondContact O-N 2.94Å
754	A	88.2	Confident	88.1	Confident	14 Å²	14	37 Å²	37	12%	0.116	21%	0.208	C	C	.	.	H	α-helix	trans	-61.9	-46.9	178	0	0	0	0	0	111.6	D681 N750 T751 I757 K758	D681-A754 WeakPolarHBondContact O-CB 3.11Å; N750-A754 WeakPolarHBondContact O-CB 3.37Å; N750-A754 PolarHBondContact O-N 3.36Å; T751-A754 PolarHBondContact O-N 3.12Å; A754-I757 PolarHBondContact O-N 3.41Å; A754-K758 WeakPolarHBondContact O-CG 3.33Å; A754-K758 PolarHBondContact O-N 3.36Å
755	I	89.9	Confident	87.5	Confident	5 Å²	5	40.7 Å²	40.7	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-64.4	-41	175.3	-59.7	-64.4	0	0	0	111	K514 T519 V723 M743 T751 I757 K758 C759	K514-I755 HydrophobicContact CD-CG1 4.41Å; K514-I755 HydrophobicContact CD-CG2 4.45Å; K514-I755 HydrophobicContact CG-CG2 3.94Å; T519-I755 HydrophobicContact CG2-CG2 4.29Å; V723-I755 HydrophobicContact CG2-CD1 4.22Å; V723-I755 HydrophobicContact CG2-CG2 3.88Å; M743-I755 HydrophobicContact CE-CB 4Å; M743-I755 HydrophobicContact CE-CG2 3.68Å; T751-I755 HydrophobicContact CG2-CG1 4.42Å; T751-I755 WeakPolarHBondContact O-CG1 3.42Å; T751-I755 PolarHBondContact O-N 3.25Å; I755-I757 VanDerWaalsContact C-N 3.29Å; I755-I757 PolarHBondContact O-N 3.36Å; I755-K758 HydrophobicContact CD1-CD 4.48Å; I755-K758 PolarHBondContact O-N 2.94Å; I755-C759 WeakPolarHBondContact O-CB 3.37Å; I755-C759 PolarHBondContact O-N 3.31Å; I755-C759 PolarHBondContact O-SG 3.43Å
756	A	93.2	Very high	87.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.5	-33.1	177.6	0	0	0	0	0	113.2	M743 A752 R753 G760 I761 I762 V801	M743-A756 HydrophobicContact CE-CB 3.9Å; A752-A756 WeakPolarHBondContact O-CB 3.28Å; A752-A756 PolarHBondContact O-N 3.18Å; R753-A756 PolarHBondContact O-N 2.87Å; A756-G760 PolarHBondContact O-N 3.06Å; A756-I761 HydrophobicContact CB-CB 4.15Å; A756-I761 WeakPolarHBondContact O-CB 3.5Å; A756-I761 PolarHBondContact O-N 3.01Å; A756-I762 HydrophobicContact CB-CD1 3.81Å; A756-I762 HydrophobicContact CB-CG1 4.14Å; A756-I762 PolarHBondContact O-N 3.46Å; A756-V801 HydrophobicContact CB-CG2 3.51Å
757	I	92.1	Very high	87.7	Confident	77 Å²	77	48.5 Å²	48.5	40%	0.395	27%	0.274	S	S	.	.	H	α-helix	trans	-70.8	-48.1	171.5	-66.6	164.4	0	0	0	110.5	R753 A754 I755 C759 G760 I762	R753-I757 HydrophobicContact CG-CD1 4.16Å; R753-I757 WeakPolarHBondContact O-CG1 3.46Å; R753-I757 PolarHBondContact O-N 2.94Å; A754-I757 PolarHBondContact O-N 3.41Å; I755-I757 VanDerWaalsContact C-N 3.29Å; I755-I757 PolarHBondContact O-N 3.36Å; I757-C759 PolarHBondContact O-N 2.97Å; I757-G760 PolarHBondContact O-N 3Å; I757-I762 HydrophobicContact CG1-CB 4.09Å; I757-I762 HydrophobicContact CG1-CG2 4Å
758	K	90.6	Very high	88.3	Confident	96 Å²	96	49.2 Å²	49.2	42%	0.417	28%	0.275	S	S	.	.	H	α-helix	trans	-56.6	-37	175.8	-70.8	-175.3	-178.7	-173	0	112.5	E720 V723 A754 I755	E720-K758 VanDerWaalsContact CD-NZ 3.28Å; E720-K758 IonicContact OE1-NZ 2.69Å; E720-K758 PolarHBondContact OE1-NZ 3.42Å; E720-K758 VanDerWaalsContact OE1-NZ 3.12Å; E720-K758 IonicContact OE2-NZ 3.66Å; E720-K758 PolarHBondContact OE2-NZ 2.86Å; V723-K758 HydrophobicContact CG2-CB 4.12Å; A754-K758 WeakPolarHBondContact O-CG 3.33Å; A754-K758 PolarHBondContact O-N 3.36Å; I755-K758 HydrophobicContact CD1-CD 4.48Å; I755-K758 PolarHBondContact O-N 2.94Å
759	C	93.5	Very high	89	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-10.7	177.4	-69	0	0	0	0	114.7	V723 V727 I731 I755 I757 I761	V723-C759 VanDerWaalsContact CG1-SG 3.54Å; V727-C759 HydrophobicContact CG1-CB 4.2Å; I731-C759 HydrophobicContact CD1-CB 3.74Å; I731-C759 WeakPolarHBondContact CD1-O 3.49Å; I755-C759 WeakPolarHBondContact O-CB 3.37Å; I755-C759 PolarHBondContact O-N 3.31Å; I755-C759 PolarHBondContact O-SG 3.43Å; I757-C759 PolarHBondContact O-N 2.97Å; C759-I761 VanDerWaalsContact C-N 3.31Å; C759-I761 HydrophobicContact CB-CD1 4.15Å; C759-I761 HydrophobicContact CB-CG1 3.99Å; C759-I761 PolarHBondContact O-N 3.38Å
760	G	93.8	Very high	89.4	Confident	15 Å²	15	47 Å²	47	16%	0.155	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	18.1	-172.9	0	0	0	0	0	115.1	Q735 A756 I757 I762	Q735-G760 PolarHBondContact NE2-O 3.28Å; A756-G760 PolarHBondContact O-N 3.06Å; I757-G760 PolarHBondContact O-N 3Å; G760-I762 VanDerWaalsContact C-N 3.3Å
761	I	95.3	Very high	89.9	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	25%	0.253	C	S	.	.	S	Bend	trans	-72.1	-30.5	171.5	-60.9	176.8	0	0	0	110.6	L518 I731 V741 M743 A756 C759 R800	L518-I761 HydrophobicContact CD1-CD1 3.9Å; I731-I761 HydrophobicContact CD1-CD1 4.11Å; I731-I761 HydrophobicContact CD1-CG1 3.76Å; I731-I761 HydrophobicContact CG2-CG1 4.26Å; V741-I761 HydrophobicContact CG1-CD1 4Å; V741-I761 HydrophobicContact CG1-CG1 4.13Å; M743-I761 HydrophobicContact CB-CD1 4.19Å; M743-I761 HydrophobicContact CE-CD1 4.17Å; A756-I761 HydrophobicContact CB-CB 4.15Å; A756-I761 WeakPolarHBondContact O-CB 3.5Å; A756-I761 PolarHBondContact O-N 3.01Å; C759-I761 VanDerWaalsContact C-N 3.31Å; C759-I761 HydrophobicContact CB-CD1 4.15Å; C759-I761 HydrophobicContact CB-CG1 3.99Å; C759-I761 PolarHBondContact O-N 3.38Å; I761-R800 HydrophobicContact CG2-CB 4.32Å
762	I	93.9	Very high	90.4	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	26%	0.258	C	S	.	.	S	Bend	trans	-121.1	125.6	176.1	-68.5	172.9	0	0	0	108.5	A756 I757 G760 F768 C770 R800 V801	A756-I762 HydrophobicContact CB-CD1 3.81Å; A756-I762 HydrophobicContact CB-CG1 4.14Å; A756-I762 PolarHBondContact O-N 3.46Å; I757-I762 HydrophobicContact CG1-CB 4.09Å; I757-I762 HydrophobicContact CG1-CG2 4Å; G760-I762 VanDerWaalsContact C-N 3.3Å; I762-F768 HydrophobicContact CD1-CD2 3.95Å; I762-F768 HydrophobicContact CD1-CE2 4.02Å; I762-F768 HydrophobicContact CG1-CD2 4.22Å; I762-F768 HydrophobicContact CG1-CG 4.36Å; I762-F768 HydrophobicContact CG2-CD1 3.7Å; I762-F768 HydrophobicContact CG2-CD2 4.09Å; I762-F768 HydrophobicContact CG2-CE1 3.4Å; I762-F768 HydrophobicContact CG2-CE2 3.82Å; I762-F768 HydrophobicContact CG2-CG 4.05Å; I762-F768 HydrophobicContact CG2-CZ 3.46Å; I762-F768 VanDerWaalsContact CG2-CZ 3.46Å; I762-C770 WeakPolarHBondContact CD1-SG 3.46Å; I762-R800 HydrophobicContact CD1-CB 4.46Å; I762-R800 HydrophobicContact CG1-CB 4.04Å; I762-V801 HydrophobicContact CD1-CG2 3.77Å
763	H	88.8	Confident	90.5	Very high	76 Å²	76	46 Å²	46	35%	0.352	26%	0.259	S	S	.	.			trans	-97.2	127.4	164.8	-60.1	-57.3	0	0	0	110	G765 E766	H763-G765 PolarHBondContact O-N 2.89Å; H763-E766 HydrophobicContact CB-CG 4.02Å; H763-E766 IonicContact CD2-OE1 3.64Å; H763-E766 PolarHBondContact CD2-OE1 2.92Å; H763-E766 IonicContact CD2-OE2 3.68Å; H763-E766 PolarHBondContact O-N 3.09Å
764	P	83.1	Confident	90.5	Very high	110 Å²	110	50.5 Å²	50.5	71%	0.714	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	123.2	175.9	-25.4	34.8	0	0	0	111.6
765	G	80.2	Confident	90.7	Very high	85 Å²	85	51.6 Å²	51.6	88%	0.876	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.8	-8.9	-178	0	0	0	0	0	115.3	H763	H763-G765 PolarHBondContact O-N 2.89Å
766	E	84.9	Confident	91	Very high	103 Å²	103	51.4 Å²	51.4	48%	0.481	28%	0.282	S	S	.	.	S	Bend	trans	-79.6	159.9	171	-68.8	-175.4	165.3	0	0	112.9	H763 F768	H763-E766 HydrophobicContact CB-CG 4.02Å; H763-E766 IonicContact CD2-OE1 3.64Å; H763-E766 PolarHBondContact CD2-OE1 2.92Å; H763-E766 IonicContact CD2-OE2 3.68Å; H763-E766 PolarHBondContact O-N 3.09Å; E766-F768 HydrophobicContact CB-CD1 4.2Å; E766-F768 WeakPolarHBondContact O-CD1 3.39Å; E766-F768 WeakPolarHBondContact O-CE1 3.2Å; E766-F768 PolarHBondContact O-N 2.83Å
767	D	87.6	Confident	90.9	Very high	113 Å²	113	52.7 Å²	52.7	60%	0.604	29%	0.29	S	S	*	.			trans	-83	91	172.8	-178.7	9.6	0	0	0	110.2	K798	D767-K798 IonicContact OD1-NZ 2.71Å; D767-K798 PolarHBondContact OD1-NZ 2.73Å; D767-K798 VanDerWaalsContact OD2-CE 3.24Å; D767-K798 WeakPolarHBondContact OD2-CE 3.34Å; D767-K798 IonicContact OD2-NZ 2.69Å; D767-K798 PolarHBondContact OD2-NZ 2.66Å
768	F	91.6	Very high	90.9	Very high	67 Å²	67	57.5 Å²	57.5	29%	0.294	30%	0.303	S	S	.	.			trans	-126.2	155.8	179.7	62.6	-94.6	0	0	0	112.3	I762 E766 R800	I762-F768 HydrophobicContact CD1-CD2 3.95Å; I762-F768 HydrophobicContact CD1-CE2 4.02Å; I762-F768 HydrophobicContact CG1-CD2 4.22Å; I762-F768 HydrophobicContact CG1-CG 4.36Å; I762-F768 HydrophobicContact CG2-CD1 3.7Å; I762-F768 HydrophobicContact CG2-CD2 4.09Å; I762-F768 HydrophobicContact CG2-CE1 3.4Å; I762-F768 HydrophobicContact CG2-CE2 3.82Å; I762-F768 HydrophobicContact CG2-CG 4.05Å; I762-F768 HydrophobicContact CG2-CZ 3.46Å; I762-F768 VanDerWaalsContact CG2-CZ 3.46Å; E766-F768 HydrophobicContact CB-CD1 4.2Å; E766-F768 WeakPolarHBondContact O-CD1 3.39Å; E766-F768 WeakPolarHBondContact O-CE1 3.2Å; E766-F768 PolarHBondContact O-N 2.83Å; F768-R800 HydrophobicContact CB-CB 4.45Å; F768-R800 HydrophobicContact CB-CG 3.84Å
769	L	93.4	Very high	91	Very high	34 Å²	34	57.9 Å²	57.9	18%	0.178	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.9	176.5	-175.8	65.3	0	0	0	110.8	I771 V795 K798 R800 V801	L769-I771 HydrophobicContact CD1-CG2 3.77Å; L769-I771 HydrophobicContact CD2-CD1 4.3Å; L769-I771 HydrophobicContact CD2-CG2 4.36Å; L769-I771 HydrophobicContact CG-CG2 3.96Å; L769-V795 HydrophobicContact CD2-CG1 3.9Å; L769-K798 HydrophobicContact CB-CB 3.93Å; L769-K798 PolarHBondContact N-O 2.98Å; L769-R800 PolarHBondContact O-N 2.95Å; L769-V801 PolarHBondContact O-N 3.43Å
770	C	94	Very high	90.9	Very high	25 Å²	25	57.9 Å²	57.9	17%	0.169	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.8	167.2	-57.4	0	0	0	0	108.4	I749 I762 V801	I749-C770 HydrophobicContact CD1-CB 4.42Å; I762-C770 WeakPolarHBondContact CD1-SG 3.46Å; C770-V801 WeakPolarHBondContact CA-O 3.5Å; C770-V801 HydrophobicContact CB-CB 4.19Å
771	I	95.1	Very high	90.8	Very high	7 Å²	7	61.9 Å²	61.9	4%	0.036	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	161.8	179.7	52.3	178.8	0	0	0	110.4	L769 E775 F776 V795 L799 V801 L802 A803	L769-I771 HydrophobicContact CD1-CG2 3.77Å; L769-I771 HydrophobicContact CD2-CD1 4.3Å; L769-I771 HydrophobicContact CD2-CG2 4.36Å; L769-I771 HydrophobicContact CG-CG2 3.96Å; I771-E775 HydrophobicContact CB-CB 4.29Å; I771-E775 HydrophobicContact CB-CG 4.08Å; I771-E775 HydrophobicContact CG2-CG 3.81Å; I771-F776 HydrophobicContact CD1-CB 3.85Å; I771-F776 HydrophobicContact CD1-CD2 3.99Å; I771-F776 HydrophobicContact CD1-CG 4.4Å; I771-F776 HydrophobicContact CG1-CB 4.47Å; I771-V795 HydrophobicContact CD1-CG1 3.92Å; I771-L799 HydrophobicContact CD1-CD1 3.91Å; I771-L799 HydrophobicContact CG1-CD1 3.58Å; I771-V801 PolarHBondContact N-O 2.93Å; I771-V801 VanDerWaalsContact N-O 3.15Å; I771-L802 HydrophobicContact CG1-CD1 4.16Å; I771-A803 PolarHBondContact O-N 3.39Å
772	D	92.9	Very high	90.5	Very high	51 Å²	51	63 Å²	63	27%	0.273	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	165.2	169	72.1	26.1	0	0	0	112	K774 E775 F776 A803 R804	D772-K774 PolarHBondContact O-N 3.25Å; D772-K774 WeakPolarHBondContact OD1-CB 3.5Å; D772-K774 PolarHBondContact OD1-N 3.47Å; D772-K774 VanDerWaalsContact OD1-N 3.12Å; D772-E775 PolarHBondContact O-N 3.29Å; D772-E775 WeakPolarHBondContact OD1-CB 3.26Å; D772-E775 PolarHBondContact OD1-N 3.1Å; D772-F776 WeakPolarHBondContact O-CB 3.26Å; D772-F776 PolarHBondContact O-N 3.45Å; D772-A803 CarbonylContact C-O 3.54Å; D772-A803 WeakPolarHBondContact CA-O 3.39Å; D772-R804 HydrophobicContact CB-CB 4.45Å
773	G	88.9	Confident	90.1	Very high	3 Å²	3	72.5 Å²	72.5	3%	0.031	36%	0.363	C	S	.	.	H	α-helix	trans	-58	-30.2	-180	0	0	0	0	0	114	N777 A803	G773-N777 WeakPolarHBondContact O-CB 3.42Å; G773-N777 PolarHBondContact O-N 2.99Å; G773-N777 PolarHBondContact O-ND2 3.01Å; G773-A803 PolarHBondContact N-O 3.14Å
774	K	89.7	Confident	89.7	Confident	177 Å²	177	77.1 Å²	77.1	77%	0.77	38%	0.382	S	S	*	.	H	α-helix	trans	-71.5	-44.6	177.6	-174.9	177.6	179.6	179.6	0	111	D772 R778	D772-K774 PolarHBondContact O-N 3.25Å; D772-K774 WeakPolarHBondContact OD1-CB 3.5Å; D772-K774 PolarHBondContact OD1-N 3.47Å; D772-K774 VanDerWaalsContact OD1-N 3.12Å; K774-R778 WeakPolarHBondContact O-CB 3.33Å; K774-R778 PolarHBondContact O-N 2.86Å
775	E	93.1	Very high	89.7	Confident	37 Å²	37	73.3 Å²	73.3	17%	0.173	36%	0.362	C	S	.	.	H	α-helix	trans	-67.3	-37.4	175.4	178.3	62.5	177.1	0	0	112	I771 D772 R778 R779	I771-E775 HydrophobicContact CB-CB 4.29Å; I771-E775 HydrophobicContact CB-CG 4.08Å; I771-E775 HydrophobicContact CG2-CG 3.81Å; D772-E775 PolarHBondContact O-N 3.29Å; D772-E775 WeakPolarHBondContact OD1-CB 3.26Å; D772-E775 PolarHBondContact OD1-N 3.1Å; E775-R778 VanDerWaalsContact CD-NH2 3.26Å; E775-R778 PolarHBondContact O-N 3.07Å; E775-R778 IonicContact OE1-CZ 2.65Å; E775-R778 IonicContact OE1-NH2 2.72Å; E775-R778 PolarHBondContact OE1-NH2 3.1Å; E775-R778 IonicContact OE2-CZ 2.65Å; E775-R778 IonicContact OE2-NE 3.06Å; E775-R778 PolarHBondContact OE2-NE 2.8Å; E775-R778 IonicContact OE2-NH2 3.46Å; E775-R778 PolarHBondContact OE2-NH2 3.02Å; E775-R779 WeakPolarHBondContact O-CG 3.36Å; E775-R779 PolarHBondContact O-N 3.4Å; E775-R779 IonicContact OE1-CZ 3.19Å; E775-R779 IonicContact OE1-NE 2.87Å; E775-R779 PolarHBondContact OE1-NE 3.28Å; E775-R779 IonicContact OE1-NH2 2.65Å; E775-R779 PolarHBondContact OE1-NH2 2.65Å
776	F	94.4	Very high	90	Very high	1 Å²	1	74.5 Å²	74.5	0%	0.004	35%	0.345	C	S	.	.	H	α-helix	trans	-59.2	-54.4	172.7	178.2	-117.4	0	0	0	111.3	I771 D772 R778 R779 I780 V795 L799 L802 D809 L813	I771-F776 HydrophobicContact CD1-CB 3.85Å; I771-F776 HydrophobicContact CD1-CD2 3.99Å; I771-F776 HydrophobicContact CD1-CG 4.4Å; I771-F776 HydrophobicContact CG1-CB 4.47Å; D772-F776 WeakPolarHBondContact O-CB 3.26Å; D772-F776 PolarHBondContact O-N 3.45Å; F776-R778 VanDerWaalsContact C-N 3.29Å; F776-R778 PolarHBondContact O-N 3.17Å; F776-R779 PolarHBondContact O-N 3.12Å; F776-R779 VanDerWaalsContact O-N 3.08Å; F776-I780 HydrophobicContact CD1-CD1 3.96Å; F776-I780 HydrophobicContact CD2-CG2 3.94Å; F776-I780 HydrophobicContact CE1-CD1 3.59Å; F776-I780 HydrophobicContact CE2-CD1 4.22Å; F776-I780 HydrophobicContact CE2-CG2 3.69Å; F776-I780 HydrophobicContact CG-CD1 4.43Å; F776-I780 HydrophobicContact CZ-CD1 3.73Å; F776-I780 HydrophobicContact CZ-CG2 4.19Å; F776-I780 WeakPolarHBondContact O-CG1 3.24Å; F776-I780 WeakPolarHBondContact O-CG2 3.47Å; F776-I780 PolarHBondContact O-N 3Å; F776-V795 HydrophobicContact CD2-CG1 4.28Å; F776-V795 HydrophobicContact CE2-CG1 4.46Å; F776-L799 HydrophobicContact CE2-CD2 4.48Å; F776-L802 HydrophobicContact CB-CD1 3.59Å; F776-L802 HydrophobicContact CD1-CD1 4.22Å; F776-L802 HydrophobicContact CD1-CD2 3.96Å; F776-L802 HydrophobicContact CD2-CD1 4.45Å; F776-L802 HydrophobicContact CE1-CD2 4.13Å; F776-L802 HydrophobicContact CG-CD1 3.86Å; F776-L802 HydrophobicContact CG-CD2 4.26Å; F776-D809 HydrophobicContact CD1-CB 4.27Å; F776-D809 HydrophobicContact CE1-CB 4.41Å; F776-L813 HydrophobicContact CE1-CB 4.3Å; F776-L813 HydrophobicContact CE2-CD1 4.21Å; F776-L813 HydrophobicContact CZ-CB 3.88Å; F776-L813 HydrophobicContact CZ-CD1 4.12Å
777	N	91.5	Very high	90.1	Very high	28 Å²	28	72.7 Å²	72.7	15%	0.15	34%	0.341	C	S	.	.	H	α-helix	trans	-56	-42.2	175.6	-84.3	-79.7	0	0	0	112.5	G773 R779 R781 D809	G773-N777 WeakPolarHBondContact O-CB 3.42Å; G773-N777 PolarHBondContact O-N 2.99Å; G773-N777 PolarHBondContact O-ND2 3.01Å; N777-R779 VanDerWaalsContact C-N 3.3Å; N777-R779 PolarHBondContact O-N 2.95Å; N777-R781 VanDerWaalsContact O-CB 3.27Å; N777-R781 WeakPolarHBondContact O-CB 3.28Å; N777-R781 VanDerWaalsContact O-CG 3.27Å; N777-R781 WeakPolarHBondContact O-CG 3.41Å; N777-R781 PolarHBondContact O-N 3.31Å; N777-R781 VanDerWaalsContact O-N 3.09Å; N777-R781 PolarHBondContact OD1-NE 2.83Å; N777-R781 PolarHBondContact OD1-NH2 3.1Å; N777-D809 PolarHBondContact ND2-OD1 3.06Å
778	R	92.3	Very high	90.3	Very high	178 Å²	178	70.5 Å²	70.5	67%	0.672	33%	0.327	S	S	*	.	H	α-helix	trans	-62.4	-35.1	178.1	-173	175.9	73	127.7	4	112.9	K774 E775 F776	K774-R778 WeakPolarHBondContact O-CB 3.33Å; K774-R778 PolarHBondContact O-N 2.86Å; E775-R778 VanDerWaalsContact CD-NH2 3.26Å; E775-R778 PolarHBondContact O-N 3.07Å; E775-R778 IonicContact OE1-CZ 2.65Å; E775-R778 IonicContact OE1-NH2 2.72Å; E775-R778 PolarHBondContact OE1-NH2 3.1Å; E775-R778 IonicContact OE2-CZ 2.65Å; E775-R778 IonicContact OE2-NE 3.06Å; E775-R778 PolarHBondContact OE2-NE 2.8Å; E775-R778 IonicContact OE2-NH2 3.46Å; E775-R778 PolarHBondContact OE2-NH2 3.02Å; F776-R778 VanDerWaalsContact C-N 3.29Å; F776-R778 PolarHBondContact O-N 3.17Å
779	R	92.4	Very high	90.2	Very high	103 Å²	103	70 Å²	70	39%	0.389	33%	0.325	S	S	.	.	H	α-helix	trans	-78.8	-39.2	-179.8	-73.2	-179	-172.5	-147.6	1	113.2	E775 F776 N777 R791 V795	E775-R779 WeakPolarHBondContact O-CG 3.36Å; E775-R779 PolarHBondContact O-N 3.4Å; E775-R779 IonicContact OE1-CZ 3.19Å; E775-R779 IonicContact OE1-NE 2.87Å; E775-R779 PolarHBondContact OE1-NE 3.28Å; E775-R779 IonicContact OE1-NH2 2.65Å; E775-R779 PolarHBondContact OE1-NH2 2.65Å; F776-R779 PolarHBondContact O-N 3.12Å; F776-R779 VanDerWaalsContact O-N 3.08Å; N777-R779 VanDerWaalsContact C-N 3.3Å; N777-R779 PolarHBondContact O-N 2.95Å; R779-R791 WeakPolarHBondContact O-CB 3.47Å; R779-R791 WeakPolarHBondContact O-CD 3.14Å; R779-V795 HydrophobicContact CB-CG2 4.09Å
780	I	92.1	Very high	90	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-86.4	-20.5	-173.3	72.4	-174.6	0	0	0	113.4	F776 V787 E788 I792 T812	F776-I780 HydrophobicContact CD1-CD1 3.96Å; F776-I780 HydrophobicContact CD2-CG2 3.94Å; F776-I780 HydrophobicContact CE1-CD1 3.59Å; F776-I780 HydrophobicContact CE2-CD1 4.22Å; F776-I780 HydrophobicContact CE2-CG2 3.69Å; F776-I780 HydrophobicContact CG-CD1 4.43Å; F776-I780 HydrophobicContact CZ-CD1 3.73Å; F776-I780 HydrophobicContact CZ-CG2 4.19Å; F776-I780 WeakPolarHBondContact O-CG1 3.24Å; F776-I780 WeakPolarHBondContact O-CG2 3.47Å; F776-I780 PolarHBondContact O-N 3Å; I780-V787 HydrophobicContact CD1-CG1 4.33Å; I780-V787 HydrophobicContact CD1-CG2 4.48Å; I780-V787 HydrophobicContact CG1-CG1 4.36Å; I780-E788 PolarHBondContact O-N 3.09Å; I780-I792 HydrophobicContact CB-CG1 3.74Å; I780-I792 HydrophobicContact CG2-CG1 3.61Å; I780-T812 HydrophobicContact CD1-CG2 3.7Å
781	R	90.9	Very high	89.9	Confident	99 Å²	99	77.1 Å²	77.1	37%	0.374	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-90.4	152	-178.9	-66.1	175	-173.6	-112.9	8.1	112.8	N777 G785 E786 V787 R791	N777-R781 VanDerWaalsContact O-CB 3.27Å; N777-R781 WeakPolarHBondContact O-CB 3.28Å; N777-R781 VanDerWaalsContact O-CG 3.27Å; N777-R781 WeakPolarHBondContact O-CG 3.41Å; N777-R781 PolarHBondContact O-N 3.31Å; N777-R781 VanDerWaalsContact O-N 3.09Å; N777-R781 PolarHBondContact OD1-NE 2.83Å; N777-R781 PolarHBondContact OD1-NH2 3.1Å; R781-G785 WeakPolarHBondContact CD-O 3.43Å; R781-G785 PolarHBondContact NH1-O 3.49Å; R781-E786 CarbonylContact C-O 3.59Å; R781-E786 WeakPolarHBondContact CA-O 3.33Å; R781-V787 HydrophobicContact CG-CG2 4.19Å; R781-R791 PolarHBondContact O-NH1 2.91Å
782	N	89.4	Confident	89.7	Confident	26 Å²	26	76.9 Å²	76.9	14%	0.139	35%	0.351	C	S	.	.			trans	-92.4	-176.5	173.1	72.7	9.6	0	0	0	112.5	K784 G785 E786 E788	N782-K784 PolarHBondContact O-N 3.32Å; N782-K784 WeakPolarHBondContact OD1-CA 3.38Å; N782-K784 WeakPolarHBondContact OD1-CB 3.45Å; N782-K784 PolarHBondContact OD1-N 3.03Å; N782-G785 PolarHBondContact O-N 2.56Å; N782-G785 PolarHBondContact OD1-N 3.43Å; N782-G785 VanDerWaalsContact OD1-N 3.08Å; N782-E786 PolarHBondContact N-O 3.47Å; N782-E786 PolarHBondContact ND2-OE2 2.91Å; N782-E786 PolarHBondContact OD1-N 2.89Å; N782-E786 PolarHBondContact OD1-O 2.86Å; N782-E788 VanDerWaalsContact CB-CD 3.44Å; N782-E788 HydrophobicContact CB-CG 4.06Å; N782-E788 WeakPolarHBondContact CB-OE1 3.39Å; N782-E788 PolarHBondContact ND2-OE1 3.04Å
783	E	85.4	Confident	89.6	Confident	200 Å²	200	75.2 Å²	75.2	94%	0.935	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-21	-179.2	-62.2	-176.8	172.5	0	0	113.1
784	K	81.5	Confident	89.7	Confident	173 Å²	173	81.9 Å²	81.9	75%	0.752	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-5.4	173	-55.5	-179.4	-177.5	175.7	0	113.1	N782 E786	N782-K784 PolarHBondContact O-N 3.32Å; N782-K784 WeakPolarHBondContact OD1-CA 3.38Å; N782-K784 WeakPolarHBondContact OD1-CB 3.45Å; N782-K784 PolarHBondContact OD1-N 3.03Å; K784-E786 VanDerWaalsContact C-N 3.33Å; K784-E786 HydrophobicContact CB-CG 4.24Å
785	G	82.4	Confident	89.8	Confident	30 Å²	30	73.8 Å²	73.8	31%	0.309	34%	0.335	S	S	.	.	S	Bend	trans	83.3	3.4	-177.8	0	0	0	0	0	115.1	R781 N782	R781-G785 WeakPolarHBondContact CD-O 3.43Å; R781-G785 PolarHBondContact NH1-O 3.49Å; N782-G785 PolarHBondContact O-N 2.56Å; N782-G785 PolarHBondContact OD1-N 3.43Å; N782-G785 VanDerWaalsContact OD1-N 3.08Å
786	E	86.4	Confident	89.7	Confident	109 Å²	109	72.9 Å²	72.9	51%	0.509	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-80.2	153.7	177.6	-58.5	166.9	144.8	0	0	110.6	R781 N782 K784	R781-E786 CarbonylContact C-O 3.59Å; R781-E786 WeakPolarHBondContact CA-O 3.33Å; N782-E786 PolarHBondContact N-O 3.47Å; N782-E786 PolarHBondContact ND2-OE2 2.91Å; N782-E786 PolarHBondContact OD1-N 2.89Å; N782-E786 PolarHBondContact OD1-O 2.86Å; K784-E786 VanDerWaalsContact C-N 3.33Å; K784-E786 HydrophobicContact CB-CG 4.24Å
787	V	87.9	Confident	89.6	Confident	66 Å²	66	75.1 Å²	75.1	40%	0.4	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-89.1	120.9	-177.6	177.3	0	0	0	0	110.5	I780 R781 I792 T812	I780-V787 HydrophobicContact CD1-CG1 4.33Å; I780-V787 HydrophobicContact CD1-CG2 4.48Å; I780-V787 HydrophobicContact CG1-CG1 4.36Å; R781-V787 HydrophobicContact CG-CG2 4.19Å; V787-I792 HydrophobicContact CG1-CD1 3.49Å; V787-I792 VanDerWaalsContact CG1-CD1 3.49Å; V787-I792 HydrophobicContact CG1-CG1 4.22Å; V787-T812 HydrophobicContact CG1-CG2 3.97Å; V787-T812 HydrophobicContact CG2-CG2 4.24Å
788	E	90.3	Very high	89.6	Confident	66 Å²	66	78.4 Å²	78.4	31%	0.308	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-100.7	124	178.6	-76.3	176.9	-177.2	0	0	111.4	I780 N782 E790 R791 I792	I780-E788 PolarHBondContact O-N 3.09Å; N782-E788 VanDerWaalsContact CB-CD 3.44Å; N782-E788 HydrophobicContact CB-CG 4.06Å; N782-E788 WeakPolarHBondContact CB-OE1 3.39Å; N782-E788 PolarHBondContact ND2-OE1 3.04Å; E788-E790 PolarHBondContact O-N 3.33Å; E788-R791 HydrophobicContact CB-CB 4.34Å; E788-R791 HydrophobicContact CB-CG 3.94Å; E788-R791 WeakPolarHBondContact O-CB 3.43Å; E788-R791 PolarHBondContact O-N 2.83Å; E788-R791 VanDerWaalsContact O-N 3.09Å; E788-R791 IonicContact OE2-CZ 2.68Å; E788-R791 VanDerWaalsContact OE2-CZ 3.26Å; E788-R791 IonicContact OE2-NE 3.72Å; E788-R791 PolarHBondContact OE2-NE 2.99Å; E788-R791 IonicContact OE2-NH2 3.16Å; E788-R791 PolarHBondContact OE2-NH2 3.38Å; E788-I792 PolarHBondContact O-N 3.46Å; E788-I792 VanDerWaalsContact O-N 3.17Å
789	Q	90	Very high	89.8	Confident	56 Å²	56	70 Å²	70	26%	0.262	33%	0.326	S	S	.	.	H	α-helix	trans	-60.5	-42.5	-177.7	-176.5	56.6	41.1	0	0	112.3	R791 I792 D793 G816	Q789-R791 PolarHBondContact O-N 2.86Å; Q789-R791 VanDerWaalsContact O-N 3.13Å; Q789-I792 WeakPolarHBondContact O-CA 3.48Å; Q789-I792 WeakPolarHBondContact O-CB 3.02Å; Q789-I792 PolarHBondContact O-N 3.13Å; Q789-D793 PolarHBondContact NE2-OD1 3.37Å; Q789-D793 VanDerWaalsContact NE2-OD1 3.1Å; Q789-D793 PolarHBondContact NE2-OD2 2.96Å; Q789-D793 PolarHBondContact O-N 3.36Å; Q789-G816 PolarHBondContact NE2-O 2.88Å
790	E	89.3	Confident	89.9	Confident	122 Å²	122	67.3 Å²	67.3	57%	0.57	32%	0.316	S	S	*	.	H	α-helix	trans	-59.1	-28.5	177.2	-159.1	-148.3	148.7	0	0	112.8	E788 K794	E788-E790 PolarHBondContact O-N 3.33Å; E790-K794 WeakPolarHBondContact O-CD 3.37Å; E790-K794 WeakPolarHBondContact O-CG 3.39Å; E790-K794 PolarHBondContact O-N 3.4Å; E790-K794 VanDerWaalsContact OE1-CE 3.24Å; E790-K794 WeakPolarHBondContact OE1-CE 3.42Å; E790-K794 IonicContact OE1-NZ 2.84Å; E790-K794 PolarHBondContact OE1-NZ 3.15Å; E790-K794 IonicContact OE2-NZ 3.18Å
791	R	91.1	Very high	90.1	Very high	87 Å²	87	67.3 Å²	67.3	33%	0.328	32%	0.316	S	S	.	.	H	α-helix	trans	-79.4	-38	174.7	-62.1	-168.7	-166.2	-149.3	-4.7	112.3	R779 R781 E788 Q789 D793 K794 V795	R779-R791 WeakPolarHBondContact O-CB 3.47Å; R779-R791 WeakPolarHBondContact O-CD 3.14Å; R781-R791 PolarHBondContact O-NH1 2.91Å; E788-R791 HydrophobicContact CB-CB 4.34Å; E788-R791 HydrophobicContact CB-CG 3.94Å; E788-R791 WeakPolarHBondContact O-CB 3.43Å; E788-R791 PolarHBondContact O-N 2.83Å; E788-R791 VanDerWaalsContact O-N 3.09Å; E788-R791 IonicContact OE2-CZ 2.68Å; E788-R791 VanDerWaalsContact OE2-CZ 3.26Å; E788-R791 IonicContact OE2-NE 3.72Å; E788-R791 PolarHBondContact OE2-NE 2.99Å; E788-R791 IonicContact OE2-NH2 3.16Å; E788-R791 PolarHBondContact OE2-NH2 3.38Å; Q789-R791 PolarHBondContact O-N 2.86Å; Q789-R791 VanDerWaalsContact O-N 3.13Å; R791-D793 VanDerWaalsContact C-N 3.26Å; R791-D793 PolarHBondContact O-N 3.12Å; R791-K794 PolarHBondContact O-N 3.28Å; R791-V795 WeakPolarHBondContact O-CG2 3.43Å
792	I	91.4	Very high	90.3	Very high	3 Å²	3	62.6 Å²	62.6	2%	0.015	30%	0.298	C	S	.	.	H	α-helix	trans	-57.8	-44.4	170.9	-73.4	-179.9	0	0	0	110	I780 V787 E788 Q789 K794 V795 W796 T812	I780-I792 HydrophobicContact CB-CG1 3.74Å; I780-I792 HydrophobicContact CG2-CG1 3.61Å; V787-I792 HydrophobicContact CG1-CD1 3.49Å; V787-I792 VanDerWaalsContact CG1-CD1 3.49Å; V787-I792 HydrophobicContact CG1-CG1 4.22Å; E788-I792 PolarHBondContact O-N 3.46Å; E788-I792 VanDerWaalsContact O-N 3.17Å; Q789-I792 WeakPolarHBondContact O-CA 3.48Å; Q789-I792 WeakPolarHBondContact O-CB 3.02Å; Q789-I792 PolarHBondContact O-N 3.13Å; I792-K794 VanDerWaalsContact C-N 3.28Å; I792-K794 PolarHBondContact O-N 2.63Å; I792-V795 WeakPolarHBondContact O-CA 3.41Å; I792-V795 WeakPolarHBondContact O-CB 3.13Å; I792-V795 PolarHBondContact O-N 3.05Å; I792-W796 HydrophobicContact CG2-CB 4.45Å; I792-W796 HydrophobicContact CG2-CG 4.45Å; I792-W796 VanDerWaalsContact O-CD1 3.31Å; I792-W796 PolarHBondContact O-N 3.48Å; I792-T812 HydrophobicContact CD1-CG2 4.19Å
793	D	91.3	Very high	90.4	Very high	15 Å²	15	61.4 Å²	61.4	8%	0.08	29%	0.291	C	S	.	.	H	α-helix	trans	-60	-35.5	-180	-74	-29.3	0	0	0	112.8	Q789 R791 V795 W796 P797 S820 M822	Q789-D793 PolarHBondContact NE2-OD1 3.37Å; Q789-D793 VanDerWaalsContact NE2-OD1 3.1Å; Q789-D793 PolarHBondContact NE2-OD2 2.96Å; Q789-D793 PolarHBondContact O-N 3.36Å; R791-D793 VanDerWaalsContact C-N 3.26Å; R791-D793 PolarHBondContact O-N 3.12Å; D793-V795 PolarHBondContact O-N 2.87Å; D793-V795 VanDerWaalsContact O-N 3.14Å; D793-W796 PolarHBondContact OD1-NE1 3.41Å; D793-P797 WeakPolarHBondContact O-CD 3.47Å; D793-S820 VanDerWaalsContact OD1-CB 3.25Å; D793-S820 WeakPolarHBondContact OD1-CB 3.19Å; D793-S820 PolarHBondContact OD1-OG 2.96Å; D793-M822 HydrophobicContact CB-CE 3.52Å; D793-M822 HydrophobicContact CB-CG 4.07Å; D793-M822 HydrophobicContact CB-SD 3.86Å; D793-M822 WeakPolarHBondContact O-CE 3.27Å
794	K	90.6	Very high	90.3	Very high	144 Å²	144	58.8 Å²	58.8	63%	0.626	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-9.1	172.9	-67.4	163.2	-169.1	171	0	114.1	E790 R791 I792	E790-K794 WeakPolarHBondContact O-CD 3.37Å; E790-K794 WeakPolarHBondContact O-CG 3.39Å; E790-K794 PolarHBondContact O-N 3.4Å; E790-K794 VanDerWaalsContact OE1-CE 3.24Å; E790-K794 WeakPolarHBondContact OE1-CE 3.42Å; E790-K794 IonicContact OE1-NZ 2.84Å; E790-K794 PolarHBondContact OE1-NZ 3.15Å; E790-K794 IonicContact OE2-NZ 3.18Å; R791-K794 PolarHBondContact O-N 3.28Å; I792-K794 VanDerWaalsContact C-N 3.28Å; I792-K794 PolarHBondContact O-N 2.63Å
795	V	91.8	Very high	90.5	Very high	6 Å²	6	51.2 Å²	51.2	4%	0.036	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-52	-172.2	176.8	0	0	0	0	113.2	L769 I771 F776 R779 R791 I792 D793 P797 K798 L799	L769-V795 HydrophobicContact CD2-CG1 3.9Å; I771-V795 HydrophobicContact CD1-CG1 3.92Å; F776-V795 HydrophobicContact CD2-CG1 4.28Å; F776-V795 HydrophobicContact CE2-CG1 4.46Å; R779-V795 HydrophobicContact CB-CG2 4.09Å; R791-V795 WeakPolarHBondContact O-CG2 3.43Å; I792-V795 WeakPolarHBondContact O-CA 3.41Å; I792-V795 WeakPolarHBondContact O-CB 3.13Å; I792-V795 PolarHBondContact O-N 3.05Å; D793-V795 PolarHBondContact O-N 2.87Å; D793-V795 VanDerWaalsContact O-N 3.14Å; V795-P797 VanDerWaalsContact C-CD 3.41Å; V795-K798 PolarHBondContact O-N 2.99Å; V795-L799 HydrophobicContact CG1-CD2 4.48Å; V795-L799 WeakPolarHBondContact O-CB 3.37Å; V795-L799 PolarHBondContact O-N 2.96Å; V795-L799 VanDerWaalsContact O-N 3.09Å
796	W	91.5	Very high	90.5	Very high	18 Å²	18	51.7 Å²	51.7	7%	0.068	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-28.7	-167.2	80.2	-99.2	0	0	0	116.6	R742 I792 D793 K798 L799 L813 I817 S820 M822 Q827	R742-W796 PolarHBondContact NE-O 3.24Å; R742-W796 VanDerWaalsContact NH2-CE3 3.3Å; R742-W796 PolarHBondContact NH2-O 3.32Å; I792-W796 HydrophobicContact CG2-CB 4.45Å; I792-W796 HydrophobicContact CG2-CG 4.45Å; I792-W796 VanDerWaalsContact O-CD1 3.31Å; I792-W796 PolarHBondContact O-N 3.48Å; D793-W796 PolarHBondContact OD1-NE1 3.41Å; W796-K798 PolarHBondContact O-N 2.86Å; W796-L799 PolarHBondContact O-N 3.37Å; W796-L813 HydrophobicContact CB-CD1 4.21Å; W796-I817 HydrophobicContact CB-CG1 3.94Å; W796-I817 HydrophobicContact CD2-CG1 3.89Å; W796-I817 HydrophobicContact CD2-CG2 4.43Å; W796-I817 HydrophobicContact CE3-CD1 4.45Å; W796-I817 HydrophobicContact CE3-CG1 3.88Å; W796-I817 HydrophobicContact CE3-CG2 4.04Å; W796-I817 HydrophobicContact CG-CG1 3.9Å; W796-I817 HydrophobicContact CZ3-CG2 4.1Å; W796-S820 WeakPolarHBondContact CZ2-OG 3.39Å; W796-S820 PolarHBondContact NE1-OG 2.97Å; W796-S820 VanDerWaalsContact NE1-OG 3.09Å; W796-M822 HydrophobicContact CZ2-CE 3.77Å; W796-Q827 HydrophobicContact CH2-CG 3.8Å; W796-Q827 HydrophobicContact CZ2-CG 4.34Å; W796-Q827 HydrophobicContact CZ3-CG 4.44Å
797	P	91.6	Very high	90.2	Very high	48 Å²	48	48.8 Å²	48.8	31%	0.312	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-40.2	178.9	-25	35.9	0	0	0	112.5	D793 V795 R800 M822	D793-P797 WeakPolarHBondContact O-CD 3.47Å; V795-P797 VanDerWaalsContact C-CD 3.41Å; P797-R800 PolarHBondContact O-NH1 3.22Å; P797-M822 HydrophobicContact CG-CE 3.34Å; P797-M822 HydrophobicContact CG-SD 4.2Å
798	K	92.7	Very high	90	Very high	97 Å²	97	50 Å²	50	42%	0.422	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-24.3	178.5	-63.3	-168.6	173.6	-156.9	0	113.1	D767 L769 V795 W796 R800	D767-K798 IonicContact OD1-NZ 2.71Å; D767-K798 PolarHBondContact OD1-NZ 2.73Å; D767-K798 VanDerWaalsContact OD2-CE 3.24Å; D767-K798 WeakPolarHBondContact OD2-CE 3.34Å; D767-K798 IonicContact OD2-NZ 2.69Å; D767-K798 PolarHBondContact OD2-NZ 2.66Å; L769-K798 HydrophobicContact CB-CB 3.93Å; L769-K798 PolarHBondContact N-O 2.98Å; V795-K798 PolarHBondContact O-N 2.99Å; W796-K798 PolarHBondContact O-N 2.86Å; K798-R800 PolarHBondContact O-N 3.46Å
799	L	95	Very high	89.9	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	122.8	179.5	-170.4	60.7	0	0	0	111.1	R742 I771 F776 V795 W796 V801 L802 L813	R742-L799 WeakPolarHBondContact CD-O 3.48Å; R742-L799 PolarHBondContact NE-O 3.43Å; R742-L799 VanDerWaalsContact NE-O 3.08Å; I771-L799 HydrophobicContact CD1-CD1 3.91Å; I771-L799 HydrophobicContact CG1-CD1 3.58Å; F776-L799 HydrophobicContact CE2-CD2 4.48Å; V795-L799 HydrophobicContact CG1-CD2 4.48Å; V795-L799 WeakPolarHBondContact O-CB 3.37Å; V795-L799 PolarHBondContact O-N 2.96Å; V795-L799 VanDerWaalsContact O-N 3.09Å; W796-L799 PolarHBondContact O-N 3.37Å; L799-V801 WeakPolarHBondContact CD1-O 3.4Å; L799-L802 HydrophobicContact CD2-CB 4.39Å; L799-L813 HydrophobicContact CD2-CD1 3.72Å; L799-L813 HydrophobicContact CD2-CD2 3.89Å; L799-L813 HydrophobicContact CD2-CG 4.49Å
800	R	95.8	Very high	89.9	Confident	47 Å²	47	45.5 Å²	45.5	18%	0.177	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	-29.9	172.9	-67.7	-65.5	174	-80.7	-5.7	112.6	R742 M743 I761 I762 F768 L769 P797 K798	R742-R800 WeakPolarHBondContact CA-O 3.18Å; M743-R800 PolarHBondContact N-O 2.93Å; I761-R800 HydrophobicContact CG2-CB 4.32Å; I762-R800 HydrophobicContact CD1-CB 4.46Å; I762-R800 HydrophobicContact CG1-CB 4.04Å; F768-R800 HydrophobicContact CB-CB 4.45Å; F768-R800 HydrophobicContact CB-CG 3.84Å; L769-R800 PolarHBondContact O-N 2.95Å; P797-R800 PolarHBondContact O-NH1 3.22Å; K798-R800 PolarHBondContact O-N 3.46Å
801	V	95.7	Very high	90	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	120.1	178.3	177.1	0	0	0	0	109.6	M743 A752 A756 I762 L769 C770 I771 L799 A803	M743-V801 HydrophobicContact CB-CG2 4.3Å; M743-V801 WeakPolarHBondContact O-CA 3.34Å; A752-V801 HydrophobicContact CB-CG1 3.56Å; A756-V801 HydrophobicContact CB-CG2 3.51Å; I762-V801 HydrophobicContact CD1-CG2 3.77Å; L769-V801 PolarHBondContact O-N 3.43Å; C770-V801 WeakPolarHBondContact CA-O 3.5Å; C770-V801 HydrophobicContact CB-CB 4.19Å; I771-V801 PolarHBondContact N-O 2.93Å; I771-V801 VanDerWaalsContact N-O 3.15Å; L799-V801 WeakPolarHBondContact CD1-O 3.4Å; V801-A803 HydrophobicContact CG1-CB 4.34Å
802	L	95.5	Very high	90	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	106.5	165.2	-179.3	58.7	0	0	0	108.2	M743 V744 T745 I771 F776 L799 D809 L813	M743-L802 PolarHBondContact O-N 3.39Å; V744-L802 WeakPolarHBondContact CA-O 3.25Å; V744-L802 HydrophobicContact CG1-CB 4.23Å; V744-L802 HydrophobicContact CG1-CD2 4.11Å; V744-L802 HydrophobicContact CG1-CG 4.38Å; T745-L802 PolarHBondContact N-O 3.41Å; I771-L802 HydrophobicContact CG1-CD1 4.16Å; F776-L802 HydrophobicContact CB-CD1 3.59Å; F776-L802 HydrophobicContact CD1-CD1 4.22Å; F776-L802 HydrophobicContact CD1-CD2 3.96Å; F776-L802 HydrophobicContact CD2-CD1 4.45Å; F776-L802 HydrophobicContact CE1-CD2 4.13Å; F776-L802 HydrophobicContact CG-CD1 3.86Å; F776-L802 HydrophobicContact CG-CD2 4.26Å; L799-L802 HydrophobicContact CD2-CB 4.39Å; L802-D809 HydrophobicContact CD2-CB 4.37Å; L802-L813 HydrophobicContact CD2-CB 4.47Å; L802-L813 HydrophobicContact CD2-CD2 3.9Å
803	A	90.7	Very high	90.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	161.1	-176.3	0	0	0	0	0	111.7	T745 I749 A752 I771 D772 G773 V801 S805	T745-A803 CarbonylContact O-C 3.57Å; T745-A803 VanDerWaalsContact O-C 3.26Å; T745-A803 WeakPolarHBondContact O-CA 3.29Å; I749-A803 HydrophobicContact CB-CB 3.85Å; I749-A803 HydrophobicContact CG1-CB 4.16Å; A752-A803 HydrophobicContact CB-CB 4.07Å; I771-A803 PolarHBondContact O-N 3.39Å; D772-A803 CarbonylContact C-O 3.54Å; D772-A803 WeakPolarHBondContact CA-O 3.39Å; G773-A803 PolarHBondContact N-O 3.14Å; V801-A803 HydrophobicContact CG1-CB 4.34Å; A803-S805 PolarHBondContact O-N 2.94Å; A803-S805 VanDerWaalsContact O-N 3.08Å
804	R	84.3	Confident	90.3	Very high	146 Å²	146	39.1 Å²	39.1	55%	0.551	19%	0.193	S	C	*	.	S	Bend	trans	46	35.6	-173.4	-55.3	-173.6	-178.3	-153	4.1	113.2	T745 G746 D747 N748 D772	T745-R804 PolarHBondContact O-N 3.33Å; G746-R804 WeakPolarHBondContact O-CA 3.29Å; D747-R804 WeakPolarHBondContact O-CG 3.27Å; D747-R804 PolarHBondContact O-N 3.25Å; N748-R804 PolarHBondContact OD1-NE 3.47Å; N748-R804 VanDerWaalsContact OD1-NE 3.14Å; N748-R804 PolarHBondContact OD1-NH2 3.43Å; D772-R804 HydrophobicContact CB-CB 4.45Å
805	S	86.2	Confident	90.4	Very high	13 Å²	13	36.8 Å²	36.8	9%	0.091	18%	0.183	C	C	.	.			trans	-71.1	131.1	-178.9	64.3	0	0	0	0	110.8	T745 A803	T745-S805 PolarHBondContact N-OG 3.39Å; T745-S805 PolarHBondContact O-N 3.17Å; T745-S805 PolarHBondContact O-OG 2.84Å; A803-S805 PolarHBondContact O-N 2.94Å; A803-S805 VanDerWaalsContact O-N 3.08Å
806	S	81.6	Confident	90.4	Very high	41 Å²	41	36.5 Å²	36.5	29%	0.287	18%	0.182	S	C	.	.			trans	-76.6	163.6	163.1	66.6	0	0	0	0	111.4	T808 D809 K810	S806-T808 PolarHBondContact O-N 3.45Å; S806-T808 PolarHBondContact OG-OG1 3.49Å; S806-D809 WeakPolarHBondContact CB-OD2 3.36Å; S806-D809 PolarHBondContact N-OD2 3.5Å; S806-D809 WeakPolarHBondContact O-CB 3.42Å; S806-D809 PolarHBondContact O-N 2.91Å; S806-D809 VanDerWaalsContact O-N 3.08Å; S806-D809 PolarHBondContact OG-N 2.91Å; S806-D809 PolarHBondContact OG-OD1 3.45Å; S806-D809 PolarHBondContact OG-OD2 3.29Å; S806-K810 PolarHBondContact O-N 3.4Å
807	P	80.1	Confident	90.5	Very high	48 Å²	48	35.7 Å²	35.7	31%	0.312	18%	0.178	S	C	.	.	H	α-helix	trans	-52.5	-41.1	174.2	-29.2	37.1	0	0	0	113.3	K810 H811 N837	P807-K810 WeakPolarHBondContact O-CB 3.39Å; P807-K810 PolarHBondContact O-N 2.69Å; P807-H811 PolarHBondContact O-N 3Å; P807-H811 VanDerWaalsContact O-N 3.14Å; P807-N837 WeakPolarHBondContact CB-O 3.45Å; P807-N837 HydrophobicContact CG-CB 3.88Å
808	T	83.3	Confident	90.4	Very high	91 Å²	91	33.7 Å²	33.7	56%	0.558	17%	0.165	S	C	*	.	H	α-helix	trans	-66.6	-38.2	177.6	43.8	0	0	0	0	111.8	S806 K810 H811 T812	S806-T808 PolarHBondContact O-N 3.45Å; S806-T808 PolarHBondContact OG-OG1 3.49Å; T808-K810 VanDerWaalsContact C-N 3.3Å; T808-K810 PolarHBondContact O-N 3.03Å; T808-H811 PolarHBondContact O-N 3.31Å; T808-T812 WeakPolarHBondContact O-CB 3.4Å; T808-T812 PolarHBondContact O-N 3.45Å; T808-T812 PolarHBondContact O-OG1 2.93Å; T808-T812 VanDerWaalsContact O-OG1 3.09Å
809	D	89.6	Confident	90.3	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.043	16%	0.163	C	C	.	.	H	α-helix	trans	-62	-38.9	175.1	-56.3	-32.8	0	0	0	112	F776 N777 L802 S806 L813	F776-D809 HydrophobicContact CD1-CB 4.27Å; F776-D809 HydrophobicContact CE1-CB 4.41Å; N777-D809 PolarHBondContact ND2-OD1 3.06Å; L802-D809 HydrophobicContact CD2-CB 4.37Å; S806-D809 WeakPolarHBondContact CB-OD2 3.36Å; S806-D809 PolarHBondContact N-OD2 3.5Å; S806-D809 WeakPolarHBondContact O-CB 3.42Å; S806-D809 PolarHBondContact O-N 2.91Å; S806-D809 VanDerWaalsContact O-N 3.08Å; S806-D809 PolarHBondContact OG-N 2.91Å; S806-D809 PolarHBondContact OG-OD1 3.45Å; S806-D809 PolarHBondContact OG-OD2 3.29Å; D809-L813 WeakPolarHBondContact O-CB 3.45Å; D809-L813 PolarHBondContact O-N 3.27Å
810	K	89.9	Confident	90	Very high	19 Å²	19	32.6 Å²	32.6	8%	0.083	16%	0.164	C	C	.	.	H	α-helix	trans	-60.5	-51	174.3	-56.6	-156	173.1	-173.7	0	110.6	D513 V744 S806 P807 T808 L813 V814 D838 A841	D513-K810 IonicContact OD1-NZ 2.73Å; D513-K810 PolarHBondContact OD1-NZ 3.5Å; V744-K810 HydrophobicContact CG1-CB 4.39Å; V744-K810 HydrophobicContact CG1-CD 4.08Å; V744-K810 HydrophobicContact CG1-CG 3.7Å; V744-K810 PolarHBondContact O-NZ 3.3Å; S806-K810 PolarHBondContact O-N 3.4Å; P807-K810 WeakPolarHBondContact O-CB 3.39Å; P807-K810 PolarHBondContact O-N 2.69Å; T808-K810 VanDerWaalsContact C-N 3.3Å; T808-K810 PolarHBondContact O-N 3.03Å; K810-L813 PolarHBondContact O-N 3.08Å; K810-V814 VanDerWaalsContact O-CG2 3.28Å; K810-V814 WeakPolarHBondContact O-CG2 3.46Å; K810-V814 PolarHBondContact O-N 3.42Å; K810-D838 WeakPolarHBondContact CD-OD1 3.49Å; K810-D838 WeakPolarHBondContact CE-OD1 3.35Å; K810-D838 IonicContact NZ-OD1 3.02Å; K810-D838 PolarHBondContact NZ-OD1 3.26Å; K810-A841 HydrophobicContact CB-CB 3.83Å
811	H	90	Very high	89.3	Confident	61 Å²	61	36.2 Å²	36.2	28%	0.282	19%	0.192	S	C	.	.	H	α-helix	trans	-60.4	-46.8	178.5	177	92.7	0	0	0	112.1	P807 T808 L813 V814 K815 P840	P807-H811 PolarHBondContact O-N 3Å; P807-H811 VanDerWaalsContact O-N 3.14Å; T808-H811 PolarHBondContact O-N 3.31Å; H811-L813 PolarHBondContact O-N 3.47Å; H811-V814 PolarHBondContact O-N 2.74Å; H811-K815 WeakPolarHBondContact O-CB 3.5Å; H811-K815 PolarHBondContact O-N 3.14Å; H811-P840 PolarHBondContact ND1-O 3.49Å
812	T	91.9	Very high	88.7	Confident	27 Å²	27	40.8 Å²	40.8	17%	0.166	21%	0.214	C	C	.	.	H	α-helix	trans	-63.1	-39.9	179.1	-61.7	0	0	0	0	112.1	I780 V787 I792 T808 G816	I780-T812 HydrophobicContact CD1-CG2 3.7Å; V787-T812 HydrophobicContact CG1-CG2 3.97Å; V787-T812 HydrophobicContact CG2-CG2 4.24Å; I792-T812 HydrophobicContact CD1-CG2 4.19Å; T808-T812 WeakPolarHBondContact O-CB 3.4Å; T808-T812 PolarHBondContact O-N 3.45Å; T808-T812 PolarHBondContact O-OG1 2.93Å; T808-T812 VanDerWaalsContact O-OG1 3.09Å; T812-G816 PolarHBondContact O-N 2.9Å
813	L	94.2	Very high	87.8	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-46	174.4	177.5	61.2	0	0	0	111.8	V744 F776 W796 L799 L802 D809 K810 H811 G816 I817	V744-L813 HydrophobicContact CG2-CD2 3.84Å; F776-L813 HydrophobicContact CE1-CB 4.3Å; F776-L813 HydrophobicContact CE2-CD1 4.21Å; F776-L813 HydrophobicContact CZ-CB 3.88Å; F776-L813 HydrophobicContact CZ-CD1 4.12Å; W796-L813 HydrophobicContact CB-CD1 4.21Å; L799-L813 HydrophobicContact CD2-CD1 3.72Å; L799-L813 HydrophobicContact CD2-CD2 3.89Å; L799-L813 HydrophobicContact CD2-CG 4.49Å; L802-L813 HydrophobicContact CD2-CB 4.47Å; L802-L813 HydrophobicContact CD2-CD2 3.9Å; D809-L813 WeakPolarHBondContact O-CB 3.45Å; D809-L813 PolarHBondContact O-N 3.27Å; K810-L813 PolarHBondContact O-N 3.08Å; H811-L813 PolarHBondContact O-N 3.47Å; L813-G816 PolarHBondContact O-N 2.81Å; L813-I817 HydrophobicContact CD1-CD1 3.84Å; L813-I817 HydrophobicContact CD1-CG1 4.16Å; L813-I817 HydrophobicContact CG-CD1 3.97Å; L813-I817 VanDerWaalsContact O-CG1 3.29Å; L813-I817 WeakPolarHBondContact O-CG1 3.11Å; L813-I817 PolarHBondContact O-N 3Å
814	V	94.1	Very high	86.8	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.024	27%	0.273	C	S	.	.	H	α-helix	trans	-63.3	-50.1	-180	170.3	0	0	0	0	110.7	C511 K810 H811 G816 I817 I818 V829 V831 A841 K844 A845	C511-V814 HydrophobicContact CB-CG2 4.42Å; K810-V814 VanDerWaalsContact O-CG2 3.28Å; K810-V814 WeakPolarHBondContact O-CG2 3.46Å; K810-V814 PolarHBondContact O-N 3.42Å; H811-V814 PolarHBondContact O-N 2.74Å; V814-G816 VanDerWaalsContact C-N 3.34Å; V814-G816 PolarHBondContact O-N 3.36Å; V814-I817 PolarHBondContact O-N 3.26Å; V814-I818 HydrophobicContact CG1-CD1 3.83Å; V814-I818 WeakPolarHBondContact O-CB 3.35Å; V814-I818 WeakPolarHBondContact O-CG1 3.45Å; V814-I818 PolarHBondContact O-N 2.95Å; V814-V829 HydrophobicContact CG1-CG1 4.18Å; V814-V829 HydrophobicContact CG2-CG1 4.49Å; V814-V831 HydrophobicContact CB-CG2 4.37Å; V814-V831 HydrophobicContact CG1-CG2 3.95Å; V814-V831 HydrophobicContact CG2-CG2 3.44Å; V814-V831 VanDerWaalsContact CG2-CG2 3.44Å; V814-A841 HydrophobicContact CG2-CB 4.49Å; V814-K844 HydrophobicContact CG1-CG 4.48Å; V814-A845 HydrophobicContact CG1-CB 4.45Å
815	K	92.4	Very high	86.4	Confident	94 Å²	94	47.9 Å²	47.9	41%	0.409	27%	0.266	S	S	.	.	H	α-helix	trans	-55.4	-49.1	174	179	177.4	176.5	-174.3	0	111.1	H811 I817 I818 D819 K844	H811-K815 WeakPolarHBondContact O-CB 3.5Å; H811-K815 PolarHBondContact O-N 3.14Å; K815-I817 VanDerWaalsContact C-N 3.32Å; K815-I817 PolarHBondContact O-N 3.33Å; K815-I818 WeakPolarHBondContact O-CB 3.13Å; K815-I818 PolarHBondContact O-N 3.47Å; K815-I818 VanDerWaalsContact O-N 3.09Å; K815-D819 WeakPolarHBondContact CE-OD2 3.35Å; K815-D819 WeakPolarHBondContact CG-OD2 3.35Å; K815-D819 WeakPolarHBondContact O-CB 3.45Å; K815-D819 VanDerWaalsContact O-CG 3.28Å; K815-D819 PolarHBondContact O-N 2.9Å; K815-K844 HydrophobicContact CB-CG 4.33Å
816	G	92.3	Very high	86.4	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-67	-25.7	-177.3	0	0	0	0	0	115.3	Q789 T812 L813 V814 S820	Q789-G816 PolarHBondContact NE2-O 2.88Å; T812-G816 PolarHBondContact O-N 2.9Å; L813-G816 PolarHBondContact O-N 2.81Å; V814-G816 VanDerWaalsContact C-N 3.34Å; V814-G816 PolarHBondContact O-N 3.36Å; G816-S820 WeakPolarHBondContact O-CB 3.38Å; G816-S820 PolarHBondContact O-N 3.33Å
817	I	93.6	Very high	86.8	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-76.8	-38.6	169.9	-63.2	164.1	0	0	0	110.5	W796 L813 V814 K815 S820 Q827 V829	W796-I817 HydrophobicContact CB-CG1 3.94Å; W796-I817 HydrophobicContact CD2-CG1 3.89Å; W796-I817 HydrophobicContact CD2-CG2 4.43Å; W796-I817 HydrophobicContact CE3-CD1 4.45Å; W796-I817 HydrophobicContact CE3-CG1 3.88Å; W796-I817 HydrophobicContact CE3-CG2 4.04Å; W796-I817 HydrophobicContact CG-CG1 3.9Å; W796-I817 HydrophobicContact CZ3-CG2 4.1Å; L813-I817 HydrophobicContact CD1-CD1 3.84Å; L813-I817 HydrophobicContact CD1-CG1 4.16Å; L813-I817 HydrophobicContact CG-CD1 3.97Å; L813-I817 VanDerWaalsContact O-CG1 3.29Å; L813-I817 WeakPolarHBondContact O-CG1 3.11Å; L813-I817 PolarHBondContact O-N 3Å; V814-I817 PolarHBondContact O-N 3.26Å; K815-I817 VanDerWaalsContact C-N 3.32Å; K815-I817 PolarHBondContact O-N 3.33Å; I817-S820 WeakPolarHBondContact O-CB 3.47Å; I817-S820 PolarHBondContact O-N 3.41Å; I817-Q827 HydrophobicContact CG2-CB 3.82Å; I817-Q827 HydrophobicContact CG2-CG 4.07Å; I817-V829 HydrophobicContact CB-CG2 3.9Å; I817-V829 HydrophobicContact CG2-CG2 3.43Å; I817-V829 VanDerWaalsContact CG2-CG2 3.43Å
818	I	90.6	Very high	87.3	Confident	7 Å²	7	49.2 Å²	49.2	4%	0.036	26%	0.259	C	S	.	.	H	α-helix	trans	-65.9	-40.9	178.8	-75.5	172	0	0	0	112.1	V814 K815 S820 R826 V829 K844	V814-I818 HydrophobicContact CG1-CD1 3.83Å; V814-I818 WeakPolarHBondContact O-CB 3.35Å; V814-I818 WeakPolarHBondContact O-CG1 3.45Å; V814-I818 PolarHBondContact O-N 2.95Å; K815-I818 WeakPolarHBondContact O-CB 3.13Å; K815-I818 PolarHBondContact O-N 3.47Å; K815-I818 VanDerWaalsContact O-N 3.09Å; I818-S820 VanDerWaalsContact C-N 3.31Å; I818-R826 VanDerWaalsContact CG2-NH2 3.27Å; I818-R826 PolarHBondContact O-NE 3.13Å; I818-V829 HydrophobicContact CD1-CB 4.25Å; I818-V829 HydrophobicContact CD1-CG2 4.45Å; I818-V829 HydrophobicContact CG1-CB 3.95Å; I818-V829 HydrophobicContact CG1-CG2 3.63Å; I818-K844 WeakPolarHBondContact CD1-O 3.21Å
819	D	89.3	Confident	87.8	Confident	69 Å²	69	44.9 Å²	44.9	37%	0.369	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	0.7	-177.1	-60.1	-9.5	0	0	0	112	K815	K815-D819 WeakPolarHBondContact CE-OD2 3.35Å; K815-D819 WeakPolarHBondContact CG-OD2 3.35Å; K815-D819 WeakPolarHBondContact O-CB 3.45Å; K815-D819 VanDerWaalsContact O-CG 3.28Å; K815-D819 PolarHBondContact O-N 2.9Å
820	S	88.2	Confident	88.2	Confident	5 Å²	5	44.5 Å²	44.5	4%	0.035	23%	0.23	C	C	.	.			trans	-74.4	128.2	-178.6	-175.4	0	0	0	0	113.2	D793 W796 G816 I817 I818	D793-S820 VanDerWaalsContact OD1-CB 3.25Å; D793-S820 WeakPolarHBondContact OD1-CB 3.19Å; D793-S820 PolarHBondContact OD1-OG 2.96Å; W796-S820 WeakPolarHBondContact CZ2-OG 3.39Å; W796-S820 PolarHBondContact NE1-OG 2.97Å; W796-S820 VanDerWaalsContact NE1-OG 3.09Å; G816-S820 WeakPolarHBondContact O-CB 3.38Å; G816-S820 PolarHBondContact O-N 3.33Å; I817-S820 WeakPolarHBondContact O-CB 3.47Å; I817-S820 PolarHBondContact O-N 3.41Å; I818-S820 VanDerWaalsContact C-N 3.31Å
821	T	82.1	Confident	88.4	Confident	123 Å²	123	43.9 Å²	43.9	76%	0.755	23%	0.228	S	C	*	.			trans	-100.6	0.1	177	54.9	0	0	0	0	113.9	A823	T821-A823 PolarHBondContact O-N 2.87Å; T821-A823 VanDerWaalsContact O-N 3.09Å
822	M	81.9	Confident	88.6	Confident	97 Å²	97	41 Å²	41	48%	0.478	22%	0.215	S	C	.	.	S	Bend	trans	-61.6	-19.1	-176.2	-118	-163.1	-37.4	0	0	115.3	D793 W796 P797	D793-M822 HydrophobicContact CB-CE 3.52Å; D793-M822 HydrophobicContact CB-CG 4.07Å; D793-M822 HydrophobicContact CB-SD 3.86Å; D793-M822 WeakPolarHBondContact O-CE 3.27Å; W796-M822 HydrophobicContact CZ2-CE 3.77Å; P797-M822 HydrophobicContact CG-CE 3.34Å; P797-M822 HydrophobicContact CG-SD 4.2Å
823	A	76.8	Confident	88.4	Confident	39 Å²	39	39.7 Å²	39.7	32%	0.322	21%	0.207	S	C	.	.	S	Bend	trans	-114	143.6	173.8	0	0	0	0	0	108.4	T821 Q825	T821-A823 PolarHBondContact O-N 2.87Å; T821-A823 VanDerWaalsContact O-N 3.09Å; A823-Q825 PolarHBondContact O-N 2.71Å
824	D	71	Confident	87.8	Confident	170 Å²	170	40.8 Å²	40.8	91%	0.909	21%	0.212	S	C	*	.	S	Bend	trans	-52.4	-6.2	176.9	-43.3	-18.4	0	0	0	115
825	Q	75.8	Confident	86.9	Confident	87 Å²	87	41.2 Å²	41.2	41%	0.407	22%	0.218	S	C	.	.	S	Bend	trans	-138.8	127.9	179.2	-59.2	-176	-0.9	0	0	110.1	A823 Q827	A823-Q825 PolarHBondContact O-N 2.71Å; Q825-Q827 PolarHBondContact O-N 2.88Å; Q825-Q827 PolarHBondContact O-NE2 3.37Å
826	R	85.4	Confident	85.9	Confident	91 Å²	91	37.1 Å²	37.1	34%	0.343	20%	0.201	S	C	.	.			trans	-48.9	130.1	168.3	178.5	175.2	170.7	-123.9	-28.4	110.3	I818 D846	I818-R826 VanDerWaalsContact CG2-NH2 3.27Å; I818-R826 PolarHBondContact O-NE 3.13Å; R826-D846 IonicContact CZ-OD1 3.32Å; R826-D846 IonicContact NH1-OD1 2.82Å; R826-D846 IonicContact NH2-OD1 3.07Å; R826-D846 PolarHBondContact NH2-OD1 3.31Å; R826-D846 IonicContact NH2-OD2 3.06Å; R826-D846 PolarHBondContact NH2-OD2 3.02Å
827	Q	89.3	Confident	85.1	Confident	29 Å²	29	41.2 Å²	41.2	14%	0.136	22%	0.222	C	C	.	.			trans	-70.7	147.7	178.5	-59.8	-56.4	-66.3	0	0	111.1	T508 W796 I817 Q825 V829	T508-Q827 VanDerWaalsContact CB-OE1 3.25Å; T508-Q827 PolarHBondContact OG1-OE1 2.86Å; W796-Q827 HydrophobicContact CH2-CG 3.8Å; W796-Q827 HydrophobicContact CZ2-CG 4.34Å; W796-Q827 HydrophobicContact CZ3-CG 4.44Å; I817-Q827 HydrophobicContact CG2-CB 3.82Å; I817-Q827 HydrophobicContact CG2-CG 4.07Å; Q825-Q827 PolarHBondContact O-N 2.88Å; Q825-Q827 PolarHBondContact O-NE2 3.37Å; Q827-V829 HydrophobicContact CB-CG2 4.4Å
828	V	91.8	Very high	84.6	Confident	9 Å²	9	41.5 Å²	41.5	6%	0.055	22%	0.224	C	C	.	.			trans	-110.4	111.6	173.4	178.4	0	0	0	0	107.2	T503 N506 T508 A509 D846	T503-V828 HydrophobicContact CG2-CG1 3.81Å; N506-V828 HydrophobicContact CB-CG2 4.16Å; N506-V828 WeakPolarHBondContact O-CB 3.27Å; T508-V828 PolarHBondContact N-O 3.37Å; T508-V828 PolarHBondContact OG1-N 3.06Å; T508-V828 VanDerWaalsContact OG1-N 3.16Å; T508-V828 PolarHBondContact OG1-O 3.42Å; A509-V828 PolarHBondContact N-O 3.12Å; V828-D846 WeakPolarHBondContact CA-OD2 3.41Å; V828-D846 HydrophobicContact CG1-CB 3.84Å
829	V	94.6	Very high	84.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.5	-170.2	-174	0	0	0	0	110.1	A509 V814 I817 I818 Q827 V831 D846 V847	A509-V829 HydrophobicContact CB-CG2 4.45Å; V814-V829 HydrophobicContact CG1-CG1 4.18Å; V814-V829 HydrophobicContact CG2-CG1 4.49Å; I817-V829 HydrophobicContact CB-CG2 3.9Å; I817-V829 HydrophobicContact CG2-CG2 3.43Å; I817-V829 VanDerWaalsContact CG2-CG2 3.43Å; I818-V829 HydrophobicContact CD1-CB 4.25Å; I818-V829 HydrophobicContact CD1-CG2 4.45Å; I818-V829 HydrophobicContact CG1-CB 3.95Å; I818-V829 HydrophobicContact CG1-CG2 3.63Å; Q827-V829 HydrophobicContact CB-CG2 4.4Å; V829-V831 HydrophobicContact CG1-CG2 4.3Å; V829-D846 PolarHBondContact N-OD2 2.94Å; V829-D846 PolarHBondContact O-N 3.34Å; V829-V847 PolarHBondContact O-N 3.48Å
830	A	96.2	Very high	83.8	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.008	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	142.1	165.9	0	0	0	0	0	110.4	M504 A509 I510 C511 V847 F849	M504-A830 HydrophobicContact CE-CB 3.86Å; M504-A830 HydrophobicContact SD-CB 3.79Å; A509-A830 PolarHBondContact O-N 3.09Å; I510-A830 CarbonylContact C-O 3.56Å; I510-A830 WeakPolarHBondContact CA-O 3.5Å; I510-A830 HydrophobicContact CG1-CB 4.15Å; C511-A830 PolarHBondContact N-O 2.55Å; A830-V847 CarbonylContact C-O 3.44Å; A830-V847 WeakPolarHBondContact CA-O 3.09Å; A830-V847 HydrophobicContact CB-CB 4.37Å; A830-F849 HydrophobicContact CB-CD2 4.37Å; A830-F849 HydrophobicContact CB-CE2 4.05Å
831	V	95.9	Very high	83.8	Confident	5 Å²	5	41.3 Å²	41.3	3%	0.03	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.8	177.8	176.9	0	0	0	0	109.5	C511 V814 V829 A841 L842 A845 V847 F849	C511-V831 HydrophobicContact CB-CG2 4.26Å; C511-V831 CarbonylContact O-C 3.54Å; C511-V831 VanDerWaalsContact O-CA 3.31Å; C511-V831 WeakPolarHBondContact O-CA 3.46Å; V814-V831 HydrophobicContact CB-CG2 4.37Å; V814-V831 HydrophobicContact CG1-CG2 3.95Å; V814-V831 HydrophobicContact CG2-CG2 3.44Å; V814-V831 VanDerWaalsContact CG2-CG2 3.44Å; V829-V831 HydrophobicContact CG1-CG2 4.3Å; V831-A841 HydrophobicContact CG1-CB 4.24Å; V831-L842 HydrophobicContact CB-CD2 4.26Å; V831-L842 HydrophobicContact CG1-CD2 3.98Å; V831-L842 HydrophobicContact CG1-CG 4.36Å; V831-L842 WeakPolarHBondContact O-CD2 3.38Å; V831-A845 HydrophobicContact CB-CB 3.88Å; V831-A845 HydrophobicContact CG2-CB 3.53Å; V831-V847 PolarHBondContact N-O 2.88Å; V831-F849 PolarHBondContact O-N 3.37Å
832	T	93.9	Very high	84.1	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	142.8	168.7	86.2	0	0	0	0	110.7	I510 C511 S512 D513 T517 F849 I875	I510-T832 HydrophobicContact CG2-CG2 4.24Å; C511-T832 PolarHBondContact O-N 3.46Å; S512-T832 VanDerWaalsContact CA-OG1 3.29Å; S512-T832 WeakPolarHBondContact CA-OG1 3.22Å; S512-T832 PolarHBondContact OG-OG1 3.08Å; S512-T832 VanDerWaalsContact OG-OG1 3.11Å; D513-T832 PolarHBondContact N-O 2.88Å; D513-T832 PolarHBondContact N-OG1 2.91Å; T517-T832 HydrophobicContact CG2-CG2 4.31Å; T517-T832 WeakPolarHBondContact CG2-OG1 3.45Å; T517-T832 PolarHBondContact OG1-OG1 3.26Å; T832-F849 WeakPolarHBondContact CA-O 3.45Å; T832-F849 HydrophobicContact CG2-CB 4.19Å; T832-I875 HydrophobicContact CG2-CD1 3.55Å
833	G	86.6	Confident	84.3	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	159.9	177.5	0	0	0	0	0	113.2	D838 F849 A850 M851	G833-D838 WeakPolarHBondContact CA-OD2 3.39Å; G833-F849 PolarHBondContact N-O 3.41Å; G833-A850 WeakPolarHBondContact O-CA 3.33Å; G833-M851 PolarHBondContact O-N 3.1Å
834	D	81.6	Confident	84.9	Confident	24 Å²	24	38.8 Å²	38.8	13%	0.128	20%	0.197	C	C	.	.			trans	-130.3	-24.5	174.3	75.6	-22	0	0	0	112.6	D838 M851 G855 T856	D834-D838 PolarHBondContact N-OD2 3.02Å; D834-M851 HydrophobicContact CB-CB 4.09Å; D834-M851 HydrophobicContact CB-CG 3.82Å; D834-G855 WeakPolarHBondContact O-CA 3.45Å; D834-T856 PolarHBondContact O-N 2.85Å; D834-T856 PolarHBondContact O-OG1 2.78Å
835	G	75.2	Confident	86	Confident	13 Å²	13	31.3 Å²	31.3	13%	0.134	16%	0.159	C	C	.	.	S	Bend	trans	-94.5	162.1	-179.4	0	0	0	0	0	114.6	N837 D838	G835-N837 PolarHBondContact O-N 3.17Å; G835-D838 PolarHBondContact N-OD2 3.08Å; G835-D838 VanDerWaalsContact N-OD2 3.08Å; G835-D838 WeakPolarHBondContact O-CB 3.25Å; G835-D838 PolarHBondContact O-N 2.95Å
836	T	71.2	Confident	86.8	Confident	9 Å²	9	28.6 Å²	28.6	6%	0.055	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-59	-31.2	172.3	74.6	0	0	0	0	111.6	Y219 D838 G839 T856 V858	Y219-T836 HydrophobicContact CD2-CG2 4.49Å; Y219-T836 HydrophobicContact CE1-CG2 4.5Å; Y219-T836 HydrophobicContact CE2-CG2 3.76Å; Y219-T836 WeakPolarHBondContact CE2-OG1 3.45Å; Y219-T836 PolarHBondContact OH-OG1 3.38Å; T836-D838 PolarHBondContact O-N 3.03Å; T836-D838 VanDerWaalsContact O-N 3.11Å; T836-G839 PolarHBondContact O-N 3.5Å; T836-T856 HydrophobicContact CG2-CG2 4.16Å; T836-T856 PolarHBondContact N-OG1 3.25Å; T836-V858 HydrophobicContact CG2-CB 3.91Å; T836-V858 HydrophobicContact CG2-CG1 4.39Å; T836-V858 HydrophobicContact CG2-CG2 3.71Å
837	N	76.6	Confident	87.3	Confident	87 Å²	87	24.3 Å²	24.3	47%	0.465	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-54.2	-22.6	172	-71.1	-35.2	0	0	0	114.5	P807 G835	P807-N837 WeakPolarHBondContact CB-O 3.45Å; P807-N837 HydrophobicContact CG-CB 3.88Å; G835-N837 PolarHBondContact O-N 3.17Å
838	D	82.4	Confident	87.5	Confident	5 Å²	5	22.9 Å²	22.9	3%	0.027	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-90.6	-16.4	-179.7	-57.9	-41.9	0	0	0	112.5	K810 G833 D834 G835 T836 A841 L842	K810-D838 WeakPolarHBondContact CD-OD1 3.49Å; K810-D838 WeakPolarHBondContact CE-OD1 3.35Å; K810-D838 IonicContact NZ-OD1 3.02Å; K810-D838 PolarHBondContact NZ-OD1 3.26Å; G833-D838 WeakPolarHBondContact CA-OD2 3.39Å; D834-D838 PolarHBondContact N-OD2 3.02Å; G835-D838 PolarHBondContact N-OD2 3.08Å; G835-D838 VanDerWaalsContact N-OD2 3.08Å; G835-D838 WeakPolarHBondContact O-CB 3.25Å; G835-D838 PolarHBondContact O-N 2.95Å; T836-D838 PolarHBondContact O-N 3.03Å; T836-D838 VanDerWaalsContact O-N 3.11Å; D838-A841 WeakPolarHBondContact O-CA 3.48Å; D838-A841 PolarHBondContact O-N 3.31Å; D838-L842 HydrophobicContact CB-CD1 3.89Å; D838-L842 HydrophobicContact CB-CG 4.18Å; D838-L842 WeakPolarHBondContact O-CG 3.13Å; D838-L842 PolarHBondContact O-N 3.16Å
839	G	81.4	Confident	87.7	Confident	7 Å²	7	22.5 Å²	22.5	7%	0.072	12%	0.122	C	C	.	.	H	α-helix	trans	-48.8	-51.8	-176	0	0	0	0	0	114.5	T836 A841 L842 K843	T836-G839 PolarHBondContact O-N 3.5Å; G839-A841 VanDerWaalsContact C-N 3.25Å; G839-A841 PolarHBondContact O-N 2.91Å; G839-L842 PolarHBondContact O-N 3.18Å; G839-K843 WeakPolarHBondContact O-CB 3.38Å; G839-K843 PolarHBondContact O-N 3.3Å
840	P	82.6	Confident	87.5	Confident	71 Å²	71	22.5 Å²	22.5	46%	0.461	12%	0.122	S	C	.	.	H	α-helix	trans	-64.8	-23.8	178.3	-24.1	35.1	0	0	0	114.8	H811 K844	H811-P840 PolarHBondContact ND1-O 3.49Å; P840-K844 WeakPolarHBondContact O-CB 3.06Å
841	A	87.3	Confident	87.1	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-86.8	-41.4	176.5	0	0	0	0	0	111.3	K810 V814 V831 D838 G839 K844 A845	K810-A841 HydrophobicContact CB-CB 3.83Å; V814-A841 HydrophobicContact CG2-CB 4.49Å; V831-A841 HydrophobicContact CG1-CB 4.24Å; D838-A841 WeakPolarHBondContact O-CA 3.48Å; D838-A841 PolarHBondContact O-N 3.31Å; G839-A841 VanDerWaalsContact C-N 3.25Å; G839-A841 PolarHBondContact O-N 2.91Å; A841-K844 PolarHBondContact O-N 2.79Å; A841-A845 PolarHBondContact O-N 3.4Å; A841-A845 VanDerWaalsContact O-N 3.07Å
842	L	88.8	Confident	86.5	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.3	-48.5	172.5	-72.7	168.3	0	0	0	111	V831 D838 G839 K844 A845 F849 A859 A862	V831-L842 HydrophobicContact CB-CD2 4.26Å; V831-L842 HydrophobicContact CG1-CD2 3.98Å; V831-L842 HydrophobicContact CG1-CG 4.36Å; V831-L842 WeakPolarHBondContact O-CD2 3.38Å; D838-L842 HydrophobicContact CB-CD1 3.89Å; D838-L842 HydrophobicContact CB-CG 4.18Å; D838-L842 WeakPolarHBondContact O-CG 3.13Å; D838-L842 PolarHBondContact O-N 3.16Å; G839-L842 PolarHBondContact O-N 3.18Å; L842-K844 VanDerWaalsContact C-N 3.28Å; L842-K844 PolarHBondContact O-N 2.66Å; L842-A845 WeakPolarHBondContact O-CB 3.43Å; L842-A845 PolarHBondContact O-N 3.13Å; L842-F849 VanDerWaalsContact CD2-O 3.31Å; L842-F849 WeakPolarHBondContact CD2-O 3.4Å; L842-A859 HydrophobicContact CD1-CB 3.98Å; L842-A862 HydrophobicContact CB-CB 4.07Å; L842-A862 HydrophobicContact CD1-CB 4.45Å
843	K	86.3	Confident	85.7	Confident	133 Å²	133	29.3 Å²	29.3	58%	0.578	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-18.7	-177.7	-162	58.9	173.7	-179.5	0	114.4	G839	G839-K843 WeakPolarHBondContact O-CB 3.38Å; G839-K843 PolarHBondContact O-N 3.3Å
844	K	89.9	Confident	85	Confident	72 Å²	72	31.4 Å²	31.4	31%	0.313	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-14.6	177	-178.7	55.3	-176.7	166.9	0	112.9	V814 K815 I818 P840 A841 L842	V814-K844 HydrophobicContact CG1-CG 4.48Å; K815-K844 HydrophobicContact CB-CG 4.33Å; I818-K844 WeakPolarHBondContact CD1-O 3.21Å; P840-K844 WeakPolarHBondContact O-CB 3.06Å; A841-K844 PolarHBondContact O-N 2.79Å; L842-K844 VanDerWaalsContact C-N 3.28Å; L842-K844 PolarHBondContact O-N 2.66Å
845	A	93.3	Very high	84.9	Confident	14 Å²	14	30.6 Å²	30.6	12%	0.116	18%	0.176	C	C	.	.	S	Bend	trans	-63.6	160.7	174.6	0	0	0	0	0	111.5	V814 V831 A841 L842 V847	V814-A845 HydrophobicContact CG1-CB 4.45Å; V831-A845 HydrophobicContact CB-CB 3.88Å; V831-A845 HydrophobicContact CG2-CB 3.53Å; A841-A845 PolarHBondContact O-N 3.4Å; A841-A845 VanDerWaalsContact O-N 3.07Å; L842-A845 WeakPolarHBondContact O-CB 3.43Å; L842-A845 PolarHBondContact O-N 3.13Å; A845-V847 VanDerWaalsContact C-N 3.27Å
846	D	93.1	Very high	85	Confident	29 Å²	29	31.1 Å²	31.1	16%	0.155	18%	0.176	C	C	.	.	S	Bend	trans	-74	-23.7	165.1	-66.6	-78	0	0	0	111.5	T503 R826 V828 V829	T503-D846 HydrophobicContact CG2-CB 3.83Å; R826-D846 IonicContact CZ-OD1 3.32Å; R826-D846 IonicContact NH1-OD1 2.82Å; R826-D846 IonicContact NH2-OD1 3.07Å; R826-D846 PolarHBondContact NH2-OD1 3.31Å; R826-D846 IonicContact NH2-OD2 3.06Å; R826-D846 PolarHBondContact NH2-OD2 3.02Å; V828-D846 WeakPolarHBondContact CA-OD2 3.41Å; V828-D846 HydrophobicContact CG1-CB 3.84Å; V829-D846 PolarHBondContact N-OD2 2.94Å; V829-D846 PolarHBondContact O-N 3.34Å
847	V	94.7	Very high	85.4	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	115.7	169.9	-178.1	0	0	0	0	110.2	A500 T503 M504 V829 A830 V831 A845 F849 D864 I865	A500-V847 HydrophobicContact CB-CG1 4.26Å; A500-V847 HydrophobicContact CB-CG2 4.28Å; T503-V847 HydrophobicContact CG2-CG2 3.83Å; M504-V847 HydrophobicContact CB-CG2 4.2Å; M504-V847 HydrophobicContact SD-CB 4.25Å; M504-V847 HydrophobicContact SD-CG1 4.22Å; M504-V847 HydrophobicContact SD-CG2 4.28Å; V829-V847 PolarHBondContact O-N 3.48Å; A830-V847 CarbonylContact C-O 3.44Å; A830-V847 WeakPolarHBondContact CA-O 3.09Å; A830-V847 HydrophobicContact CB-CB 4.37Å; V831-V847 PolarHBondContact N-O 2.88Å; A845-V847 VanDerWaalsContact C-N 3.27Å; V847-F849 HydrophobicContact CB-CE2 4.35Å; V847-F849 HydrophobicContact CG1-CD2 4.04Å; V847-F849 HydrophobicContact CG1-CE2 3.52Å; V847-F849 HydrophobicContact CG1-CZ 4.01Å; V847-D864 WeakPolarHBondContact CA-OD2 3.48Å; V847-I865 HydrophobicContact CG1-CD1 4.04Å; V847-I865 HydrophobicContact CG1-CG1 4.39Å
848	G	95.1	Very high	85.5	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	132.5	169.9	0	0	0	0	0	112.7	S863 D864 I865	G848-S863 WeakPolarHBondContact O-CB 3.48Å; G848-D864 PolarHBondContact N-OD2 3.47Å; G848-D864 PolarHBondContact O-N 3.27Å; G848-I865 PolarHBondContact O-N 3.22Å
849	F	95.3	Very high	85.4	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.8	171.9	-72.8	-92.1	0	0	0	111.6	M504 A830 V831 T832 G833 L842 V847 I865 L867 I875 A878	M504-F849 HydrophobicContact CE-CE2 3.59Å; M504-F849 HydrophobicContact CE-CZ 3.75Å; M504-F849 HydrophobicContact CG-CE2 4.45Å; M504-F849 HydrophobicContact CG-CZ 4.05Å; M504-F849 HydrophobicContact SD-CE2 3.55Å; M504-F849 VanDerWaalsContact SD-CE2 3.55Å; M504-F849 HydrophobicContact SD-CZ 3.74Å; A830-F849 HydrophobicContact CB-CD2 4.37Å; A830-F849 HydrophobicContact CB-CE2 4.05Å; V831-F849 PolarHBondContact O-N 3.37Å; T832-F849 WeakPolarHBondContact CA-O 3.45Å; T832-F849 HydrophobicContact CG2-CB 4.19Å; G833-F849 PolarHBondContact N-O 3.41Å; L842-F849 VanDerWaalsContact CD2-O 3.31Å; L842-F849 WeakPolarHBondContact CD2-O 3.4Å; V847-F849 HydrophobicContact CB-CE2 4.35Å; V847-F849 HydrophobicContact CG1-CD2 4.04Å; V847-F849 HydrophobicContact CG1-CE2 3.52Å; V847-F849 HydrophobicContact CG1-CZ 4.01Å; F849-I865 VanDerWaalsContact CA-O 3.29Å; F849-I865 WeakPolarHBondContact CA-O 3.44Å; F849-I865 HydrophobicContact CD1-CB 3.88Å; F849-I865 HydrophobicContact CD1-CG2 3.98Å; F849-I865 HydrophobicContact CE1-CB 3.87Å; F849-I865 HydrophobicContact CE1-CD1 3.91Å; F849-I865 HydrophobicContact CE1-CG1 4.44Å; F849-I865 HydrophobicContact CE1-CG2 3.81Å; F849-I865 HydrophobicContact CZ-CD1 3.95Å; F849-L867 HydrophobicContact CD1-CD1 4.48Å; F849-L867 HydrophobicContact CD1-CD2 3.77Å; F849-L867 HydrophobicContact CD1-CG 4.15Å; F849-L867 HydrophobicContact CE1-CD2 4.13Å; F849-I875 HydrophobicContact CD1-CG1 4.09Å; F849-I875 HydrophobicContact CE1-CG1 4.15Å; F849-I875 HydrophobicContact CE1-CG2 4.31Å; F849-I875 HydrophobicContact CE2-CG2 4.14Å; F849-I875 HydrophobicContact CG-CG1 4.46Å; F849-I875 HydrophobicContact CZ-CG2 3.94Å; F849-A878 HydrophobicContact CE1-CB 4.13Å; F849-A878 HydrophobicContact CZ-CB 4.1Å
850	A	90.9	Very high	85.6	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	148.3	169.9	0	0	0	0	0	112.6	G833 A859 K860 S863 I865 I866 L867	G833-A850 WeakPolarHBondContact O-CA 3.33Å; A850-A859 HydrophobicContact CB-CB 4.44Å; A850-K860 HydrophobicContact CB-CB 4.36Å; A850-K860 HydrophobicContact CB-CG 4.01Å; A850-S863 VanDerWaalsContact CB-OG 3.24Å; A850-S863 WeakPolarHBondContact CB-OG 3.35Å; A850-I865 PolarHBondContact N-O 3.43Å; A850-I866 HydrophobicContact CB-CG1 4.45Å; A850-I866 WeakPolarHBondContact O-CA 3.09Å; A850-L867 PolarHBondContact O-N 2.92Å
851	M	88.2	Confident	85.5	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	129.5	167.6	-59.8	-53.4	111.2	0	0	110	T517 G833 D834 A854 G855 K860 L867 D870	T517-M851 HydrophobicContact CG2-CE 3.87Å; T517-M851 HydrophobicContact CG2-SD 4.39Å; T517-M851 WeakPolarHBondContact OG1-CE 3.24Å; G833-M851 PolarHBondContact O-N 3.1Å; D834-M851 HydrophobicContact CB-CB 4.09Å; D834-M851 HydrophobicContact CB-CG 3.82Å; M851-A854 HydrophobicContact CB-CB 4.38Å; M851-G855 WeakPolarHBondContact O-CA 3.27Å; M851-G855 PolarHBondContact O-N 2.84Å; M851-K860 WeakPolarHBondContact O-CE 3.48Å; M851-L867 HydrophobicContact CE-CD1 3.75Å; M851-L867 HydrophobicContact CE-CG 4.49Å; M851-L867 HydrophobicContact SD-CD1 4.35Å; M851-D870 HydrophobicContact CB-CB 4.5Å; M851-D870 WeakPolarHBondContact CB-OD1 3.25Å; M851-D870 HydrophobicContact SD-CB 4Å
852	G	82.3	Confident	85.3	Confident	20 Å²	20	32 Å²	32	21%	0.206	17%	0.173	C	C	.	.	S	Bend	trans	-77.7	-35.1	-178.8	0	0	0	0	0	113.7	K860 L867 D870	G852-K860 WeakPolarHBondContact O-CE 3.07Å; G852-K860 PolarHBondContact O-NZ 3.09Å; G852-L867 VanDerWaalsContact CA-O 3.32Å; G852-L867 WeakPolarHBondContact CA-O 2.9Å; G852-L867 PolarHBondContact N-O 2.9Å; G852-D870 PolarHBondContact N-OD1 3.24Å
853	I	77.7	Confident	85.3	Confident	131 Å²	131	32 Å²	32	67%	0.672	17%	0.173	S	C	*	.	S	Bend	trans	-94.3	-53.3	-176.5	-49	173.4	0	0	0	110.7	D870	I853-D870 WeakPolarHBondContact CB-OD2 3.47Å; I853-D870 PolarHBondContact N-OD1 3.46Å
854	A	71.6	Confident	85.5	Confident	43 Å²	43	26.8 Å²	26.8	36%	0.355	15%	0.151	S	C	.	.	S	Bend	trans	-83.9	-21.5	-178.7	0	0	0	0	0	114	M851 D870	M851-A854 HydrophobicContact CB-CB 4.38Å; A854-D870 WeakPolarHBondContact CB-OD2 3.5Å; A854-D870 PolarHBondContact N-OD2 2.88Å
855	G	78.2	Confident	85.7	Confident	7 Å²	7	23.3 Å²	23.3	7%	0.072	14%	0.136	C	C	.	.	S	Bend	trans	-74	141.9	-173.3	0	0	0	0	0	113.9	D834 M851 K860	D834-G855 WeakPolarHBondContact O-CA 3.45Å; M851-G855 WeakPolarHBondContact O-CA 3.27Å; M851-G855 PolarHBondContact O-N 2.84Å; G855-K860 WeakPolarHBondContact O-CE 3.43Å; G855-K860 PolarHBondContact O-NZ 3.34Å
856	T	78.2	Confident	85.6	Confident	24 Å²	24	23.4 Å²	23.4	15%	0.147	14%	0.135	C	C	.	.			trans	-63.6	155.3	167.8	57.8	0	0	0	0	111.4	D834 T836 V858 A859 K860	D834-T856 PolarHBondContact O-N 2.85Å; D834-T856 PolarHBondContact O-OG1 2.78Å; T836-T856 HydrophobicContact CG2-CG2 4.16Å; T836-T856 PolarHBondContact N-OG1 3.25Å; T856-V858 VanDerWaalsContact C-N 3.29Å; T856-V858 PolarHBondContact O-N 2.94Å; T856-A859 PolarHBondContact O-N 2.63Å; T856-A859 WeakPolarHBondContact OG1-CB 3.42Å; T856-A859 PolarHBondContact OG1-N 3.29Å; T856-K860 WeakPolarHBondContact O-CG 3.33Å; T856-K860 PolarHBondContact O-N 3.47Å; T856-K860 VanDerWaalsContact O-N 3.07Å
857	D	80.2	Confident	85.5	Confident	40 Å²	40	22 Å²	22	21%	0.214	13%	0.127	C	C	.	.	H	α-helix	trans	-72.4	-28.8	-178.7	-60.8	-33.4	0	0	0	111.3	G220 L222 A859 K860 E861	G220-D857 PolarHBondContact O-N 2.74Å; L222-D857 HydrophobicContact CB-CB 3.93Å; D857-A859 PolarHBondContact O-N 3.42Å; D857-K860 PolarHBondContact O-N 3.39Å; D857-K860 IonicContact OD1-NZ 3.96Å; D857-K860 PolarHBondContact OD1-NZ 3.03Å; D857-E861 WeakPolarHBondContact O-CB 3.47Å; D857-E861 PolarHBondContact O-N 2.88Å
858	V	77.3	Confident	85.2	Confident	18 Å²	18	23.8 Å²	23.8	11%	0.109	14%	0.138	C	C	.	.	H	α-helix	trans	-55.3	-48	166.6	-175.8	0	0	0	0	111.6	H264 T836 T856 E861 A862	H264-V858 HydrophobicContact CB-CG2 3.84Å; T836-V858 HydrophobicContact CG2-CB 3.91Å; T836-V858 HydrophobicContact CG2-CG1 4.39Å; T836-V858 HydrophobicContact CG2-CG2 3.71Å; T856-V858 VanDerWaalsContact C-N 3.29Å; T856-V858 PolarHBondContact O-N 2.94Å; V858-E861 PolarHBondContact O-N 3.06Å; V858-A862 WeakPolarHBondContact O-CB 3.42Å; V858-A862 PolarHBondContact O-N 3.3Å
859	A	81.5	Confident	84.8	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.6	-43.7	179	0	0	0	0	0	111.3	L842 A850 T856 D857 E861 A862 S863	L842-A859 HydrophobicContact CD1-CB 3.98Å; A850-A859 HydrophobicContact CB-CB 4.44Å; T856-A859 PolarHBondContact O-N 2.63Å; T856-A859 WeakPolarHBondContact OG1-CB 3.42Å; T856-A859 PolarHBondContact OG1-N 3.29Å; D857-A859 PolarHBondContact O-N 3.42Å; A859-E861 VanDerWaalsContact C-N 3.33Å; A859-E861 PolarHBondContact O-N 3.38Å; A859-A862 PolarHBondContact O-N 3.45Å; A859-S863 VanDerWaalsContact O-CB 3.31Å; A859-S863 WeakPolarHBondContact O-CB 3.14Å; A859-S863 PolarHBondContact O-N 3.07Å; A859-S863 PolarHBondContact O-OG 2.92Å
860	K	85.1	Confident	84.4	Confident	42 Å²	42	26 Å²	26	18%	0.183	15%	0.15	C	C	.	.	H	α-helix	trans	-59.1	-42.7	175.5	-69	170.8	-162.6	152.7	0	112	R496 A850 M851 G852 G855 T856 D857 S863 I866	R496-K860 PolarHBondContact NH1-O 3.2Å; R496-K860 VanDerWaalsContact NH1-O 3.09Å; A850-K860 HydrophobicContact CB-CB 4.36Å; A850-K860 HydrophobicContact CB-CG 4.01Å; M851-K860 WeakPolarHBondContact O-CE 3.48Å; G852-K860 WeakPolarHBondContact O-CE 3.07Å; G852-K860 PolarHBondContact O-NZ 3.09Å; G855-K860 WeakPolarHBondContact O-CE 3.43Å; G855-K860 PolarHBondContact O-NZ 3.34Å; T856-K860 WeakPolarHBondContact O-CG 3.33Å; T856-K860 PolarHBondContact O-N 3.47Å; T856-K860 VanDerWaalsContact O-N 3.07Å; D857-K860 PolarHBondContact O-N 3.39Å; D857-K860 IonicContact OD1-NZ 3.96Å; D857-K860 PolarHBondContact OD1-NZ 3.03Å; K860-S863 PolarHBondContact O-N 2.94Å; K860-S863 PolarHBondContact O-OG 2.89Å; K860-I866 HydrophobicContact CB-CD1 3.82Å; K860-I866 HydrophobicContact CB-CG1 4.31Å; K860-I866 HydrophobicContact CD-CD1 4.4Å; K860-I866 HydrophobicContact CG-CD1 4Å; K860-I866 HydrophobicContact CG-CG1 4.31Å
861	E	81.6	Confident	84.3	Confident	84 Å²	84	27.4 Å²	27.4	39%	0.393	16%	0.157	S	C	.	.	H	α-helix	trans	-72.4	-35	179.9	-176.7	156.9	-163.3	0	0	113.4	H264 R496 D857 V858 A859 S863	H264-E861 IonicContact CE1-OE2 2.78Å; H264-E861 PolarHBondContact CE1-OE2 2.9Å; H264-E861 IonicContact NE2-OE2 2.63Å; R496-E861 PolarHBondContact NH1-O 3.17Å; D857-E861 WeakPolarHBondContact O-CB 3.47Å; D857-E861 PolarHBondContact O-N 2.88Å; V858-E861 PolarHBondContact O-N 3.06Å; A859-E861 VanDerWaalsContact C-N 3.33Å; A859-E861 PolarHBondContact O-N 3.38Å; E861-S863 VanDerWaalsContact C-N 3.27Å; E861-S863 PolarHBondContact O-N 3.25Å
862	A	81.3	Confident	84.4	Confident	14 Å²	14	27.4 Å²	27.4	12%	0.116	16%	0.157	C	C	.	.	H	α-helix	trans	-70.9	-20.2	172.5	0	0	0	0	0	113.7	L842 V858 A859	L842-A862 HydrophobicContact CB-CB 4.07Å; L842-A862 HydrophobicContact CD1-CB 4.45Å; V858-A862 WeakPolarHBondContact O-CB 3.42Å; V858-A862 PolarHBondContact O-N 3.3Å; A859-A862 PolarHBondContact O-N 3.45Å
863	S	89.4	Confident	84.8	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.			trans	-90.5	155.1	-175.4	76.2	0	0	0	0	115	R496 G848 A850 A859 K860 E861	R496-S863 PolarHBondContact NH1-O 2.86Å; G848-S863 WeakPolarHBondContact O-CB 3.48Å; A850-S863 VanDerWaalsContact CB-OG 3.24Å; A850-S863 WeakPolarHBondContact CB-OG 3.35Å; A859-S863 VanDerWaalsContact O-CB 3.31Å; A859-S863 WeakPolarHBondContact O-CB 3.14Å; A859-S863 PolarHBondContact O-N 3.07Å; A859-S863 PolarHBondContact O-OG 2.92Å; K860-S863 PolarHBondContact O-N 2.94Å; K860-S863 PolarHBondContact O-OG 2.89Å; E861-S863 VanDerWaalsContact C-N 3.27Å; E861-S863 PolarHBondContact O-N 3.25Å
864	D	91.5	Very high	85.6	Confident	23 Å²	23	21.8 Å²	21.8	12%	0.123	13%	0.127	C	C	.	.	S	Bend	trans	-92	-28.4	176.3	-52.9	-63.1	0	0	0	113.1	R496 H497 A500 V847 G848	R496-D864 WeakPolarHBondContact CB-O 3.19Å; R496-D864 PolarHBondContact N-O 3.36Å; H497-D864 HydrophobicContact CB-CB 4.09Å; H497-D864 IonicContact CD2-OD1 2.6Å; H497-D864 PolarHBondContact CD2-OD1 2.9Å; H497-D864 IonicContact CG-OD1 3.26Å; H497-D864 PolarHBondContact N-O 2.66Å; A500-D864 HydrophobicContact CB-CB 3.45Å; A500-D864 VanDerWaalsContact CB-CB 3.45Å; V847-D864 WeakPolarHBondContact CA-OD2 3.48Å; G848-D864 PolarHBondContact N-OD2 3.47Å; G848-D864 PolarHBondContact O-N 3.27Å
865	I	93.2	Very high	86.7	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	127.1	-179.7	-55.1	179.4	0	0	0	109.3	M488 N493 L494 V495 A500 V847 G848 F849 A850	M488-I865 HydrophobicContact CE-CD1 4.27Å; N493-I865 HydrophobicContact CB-CG2 4.21Å; L494-I865 WeakPolarHBondContact O-CA 3.22Å; V495-I865 HydrophobicContact CG1-CG1 4.42Å; V495-I865 HydrophobicContact CG2-CD1 4.41Å; V495-I865 HydrophobicContact CG2-CG1 4.28Å; A500-I865 HydrophobicContact CB-CG1 4.44Å; V847-I865 HydrophobicContact CG1-CD1 4.04Å; V847-I865 HydrophobicContact CG1-CG1 4.39Å; G848-I865 PolarHBondContact O-N 3.22Å; F849-I865 VanDerWaalsContact CA-O 3.29Å; F849-I865 WeakPolarHBondContact CA-O 3.44Å; F849-I865 HydrophobicContact CD1-CB 3.88Å; F849-I865 HydrophobicContact CD1-CG2 3.98Å; F849-I865 HydrophobicContact CE1-CB 3.87Å; F849-I865 HydrophobicContact CE1-CD1 3.91Å; F849-I865 HydrophobicContact CE1-CG1 4.44Å; F849-I865 HydrophobicContact CE1-CG2 3.81Å; F849-I865 HydrophobicContact CZ-CD1 3.95Å; A850-I865 PolarHBondContact N-O 3.43Å
866	I	91.1	Very high	87.5	Confident	15 Å²	15	19.9 Å²	19.9	8%	0.077	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.8	172.2	-60.7	173.8	0	0	0	109.1	L494 R496 A850 K860	L494-I866 HydrophobicContact CB-CB 4.28Å; L494-I866 PolarHBondContact N-O 3.49Å; L494-I866 PolarHBondContact O-N 2.93Å; R496-I866 HydrophobicContact CG-CD1 4.38Å; A850-I866 HydrophobicContact CB-CG1 4.45Å; A850-I866 WeakPolarHBondContact O-CA 3.09Å; K860-I866 HydrophobicContact CB-CD1 3.82Å; K860-I866 HydrophobicContact CB-CG1 4.31Å; K860-I866 HydrophobicContact CD-CD1 4.4Å; K860-I866 HydrophobicContact CG-CD1 4Å; K860-I866 HydrophobicContact CG-CG1 4.31Å
867	L	91.9	Very high	88.2	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	105.9	173	-56.2	-175.5	0	0	0	109.4	N492 N493 F849 A850 M851 G852 D869 D870 I875	N492-L867 WeakPolarHBondContact O-CA 3.47Å; N493-L867 VanDerWaalsContact OD1-CD2 3.27Å; N493-L867 WeakPolarHBondContact OD1-CD2 3.47Å; F849-L867 HydrophobicContact CD1-CD1 4.48Å; F849-L867 HydrophobicContact CD1-CD2 3.77Å; F849-L867 HydrophobicContact CD1-CG 4.15Å; F849-L867 HydrophobicContact CE1-CD2 4.13Å; A850-L867 PolarHBondContact O-N 2.92Å; M851-L867 HydrophobicContact CE-CD1 3.75Å; M851-L867 HydrophobicContact CE-CG 4.49Å; M851-L867 HydrophobicContact SD-CD1 4.35Å; G852-L867 VanDerWaalsContact CA-O 3.32Å; G852-L867 WeakPolarHBondContact CA-O 2.9Å; G852-L867 PolarHBondContact N-O 2.9Å; L867-D869 PolarHBondContact O-N 2.99Å; L867-D869 VanDerWaalsContact O-N 3.16Å; L867-D870 PolarHBondContact O-N 3.16Å; L867-I875 HydrophobicContact CD1-CD1 4.04Å; L867-I875 HydrophobicContact CD1-CG1 3.68Å; L867-I875 HydrophobicContact CD2-CG1 4.32Å
868	T	88.4	Confident	88.9	Confident	38 Å²	38	20 Å²	20	23%	0.233	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-7.7	-173.6	62.5	0	0	0	0	113.9	N492 L494	N492-T868 WeakPolarHBondContact CA-OG1 3.39Å; N492-T868 WeakPolarHBondContact CB-OG1 3.48Å; N492-T868 PolarHBondContact O-N 3Å; N492-T868 PolarHBondContact O-OG1 3.17Å; L494-T868 HydrophobicContact CB-CG2 3.96Å
869	D	86.8	Confident	89.7	Confident	40 Å²	40	19.2 Å²	19.2	21%	0.214	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	4.7	178.2	66	-6.7	0	0	0	114.5	N492 L867 N871 S874	N492-D869 HydrophobicContact CB-CB 4.02Å; N492-D869 VanDerWaalsContact CB-CG 3.45Å; N492-D869 WeakPolarHBondContact CB-OD2 3.42Å; N492-D869 PolarHBondContact ND2-OD2 3.31Å; L867-D869 PolarHBondContact O-N 2.99Å; L867-D869 VanDerWaalsContact O-N 3.16Å; D869-N871 HydrophobicContact CB-CB 4.34Å; D869-N871 PolarHBondContact O-N 2.99Å; D869-N871 VanDerWaalsContact O-N 3.13Å; D869-N871 WeakPolarHBondContact OD1-CB 3.37Å; D869-N871 PolarHBondContact OD1-N 2.95Å; D869-N871 VanDerWaalsContact OD1-N 3.13Å; D869-N871 WeakPolarHBondContact OD2-CB 3.17Å; D869-S874 PolarHBondContact OD1-OG 3.28Å; D869-S874 PolarHBondContact OD2-OG 3.39Å; D869-S874 VanDerWaalsContact OD2-OG 3.13Å
870	D	86.6	Confident	90.3	Very high	7 Å²	7	20.6 Å²	20.6	4%	0.037	11%	0.108	C	C	.	.			trans	50.2	29.2	-173.2	-63.5	3	0	0	0	113.9	R724 M851 G852 I853 A854 L867	R724-D870 PolarHBondContact NE-O 3.14Å; R724-D870 PolarHBondContact NH1-O 3.43Å; R724-D870 PolarHBondContact NH2-O 3.11Å; M851-D870 HydrophobicContact CB-CB 4.5Å; M851-D870 WeakPolarHBondContact CB-OD1 3.25Å; M851-D870 HydrophobicContact SD-CB 4Å; G852-D870 PolarHBondContact N-OD1 3.24Å; I853-D870 WeakPolarHBondContact CB-OD2 3.47Å; I853-D870 PolarHBondContact N-OD1 3.46Å; A854-D870 WeakPolarHBondContact CB-OD2 3.5Å; A854-D870 PolarHBondContact N-OD2 2.88Å; L867-D870 PolarHBondContact O-N 3.16Å
871	N	87.6	Confident	90.7	Very high	29 Å²	29	19.2 Å²	19.2	16%	0.155	10%	0.102	C	C	.	.			trans	-101.9	123.6	-170.8	-161.4	-53.2	0	0	0	112.4	E726 D869 S873 S874	E726-N871 VanDerWaalsContact CG-OD1 3.27Å; E726-N871 WeakPolarHBondContact CG-OD1 3.33Å; E726-N871 VanDerWaalsContact OE1-CG 3.24Å; E726-N871 PolarHBondContact OE1-ND2 3.15Å; E726-N871 PolarHBondContact OE1-OD1 3.07Å; D869-N871 HydrophobicContact CB-CB 4.34Å; D869-N871 PolarHBondContact O-N 2.99Å; D869-N871 VanDerWaalsContact O-N 3.13Å; D869-N871 WeakPolarHBondContact OD1-CB 3.37Å; D869-N871 PolarHBondContact OD1-N 2.95Å; D869-N871 VanDerWaalsContact OD1-N 3.13Å; D869-N871 WeakPolarHBondContact OD2-CB 3.17Å; N871-S873 PolarHBondContact O-N 3.11Å; N871-S873 VanDerWaalsContact OD1-CB 3.26Å; N871-S873 WeakPolarHBondContact OD1-CB 3.04Å; N871-S873 PolarHBondContact OD1-N 3.35Å; N871-S873 PolarHBondContact OD1-OG 3.38Å; N871-S874 WeakPolarHBondContact O-CB 3.5Å; N871-S874 PolarHBondContact O-N 3.5Å; N871-S874 PolarHBondContact O-OG 3.33Å
872	F	90.2	Very high	91.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.5	-27.1	177.4	-165.7	-90.7	0	0	0	113.2	I510 T517 L518 V727 A730 I731 V741 S874 I875	I510-F872 HydrophobicContact CG2-CE2 4.36Å; I510-F872 HydrophobicContact CG2-CZ 4.36Å; T517-F872 HydrophobicContact CG2-CD2 3.88Å; L518-F872 HydrophobicContact CD2-CD2 3.66Å; L518-F872 HydrophobicContact CD2-CE2 3.82Å; L518-F872 HydrophobicContact CD2-CG 4.18Å; L518-F872 HydrophobicContact CD2-CZ 4.48Å; V727-F872 HydrophobicContact CG2-CB 3.69Å; V727-F872 HydrophobicContact CG2-CG 4.38Å; A730-F872 HydrophobicContact CB-CD1 3.75Å; A730-F872 HydrophobicContact CB-CE1 4.39Å; I731-F872 HydrophobicContact CG1-CD1 4.27Å; I731-F872 HydrophobicContact CG1-CE1 3.7Å; I731-F872 HydrophobicContact CG1-CZ 4.19Å; V741-F872 HydrophobicContact CG1-CZ 4.31Å; V741-F872 HydrophobicContact CG2-CZ 4.36Å; F872-S874 PolarHBondContact O-N 3.35Å; F872-I875 HydrophobicContact CD2-CD1 3.71Å; F872-I875 HydrophobicContact CE2-CD1 3.87Å; F872-I875 HydrophobicContact CG-CD1 4.33Å; F872-I875 WeakPolarHBondContact O-CB 3.33Å; F872-I875 PolarHBondContact O-N 3.06Å; F872-I875 VanDerWaalsContact O-N 3.13Å
873	S	91.7	Very high	91.7	Very high	34 Å²	34	14.7 Å²	14.7	24%	0.238	8%	0.078	C	C	.	.	H	α-helix	trans	-64.6	-25	173.9	73.7	0	0	0	0	112.9	N871 I875 V876 K877	N871-S873 PolarHBondContact O-N 3.11Å; N871-S873 VanDerWaalsContact OD1-CB 3.26Å; N871-S873 WeakPolarHBondContact OD1-CB 3.04Å; N871-S873 PolarHBondContact OD1-N 3.35Å; N871-S873 PolarHBondContact OD1-OG 3.38Å; S873-I875 VanDerWaalsContact C-N 3.28Å; S873-I875 PolarHBondContact O-N 3Å; S873-V876 WeakPolarHBondContact O-CB 3.42Å; S873-V876 PolarHBondContact O-N 2.78Å; S873-V876 VanDerWaalsContact O-N 3.15Å; S873-K877 PolarHBondContact O-N 3.38Å; S873-K877 VanDerWaalsContact O-N 3.16Å
874	S	94.2	Very high	91.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64	-33.2	173.7	-61.6	0	0	0	0	111.4	N493 D869 N871 F872 V876 K877 A878	N493-S874 WeakPolarHBondContact ND2-CB 3.44Å; N493-S874 PolarHBondContact ND2-O 2.86Å; N493-S874 PolarHBondContact OD1-O 3.36Å; N493-S874 VanDerWaalsContact OD1-O 3.13Å; D869-S874 PolarHBondContact OD1-OG 3.28Å; D869-S874 PolarHBondContact OD2-OG 3.39Å; D869-S874 VanDerWaalsContact OD2-OG 3.13Å; N871-S874 WeakPolarHBondContact O-CB 3.5Å; N871-S874 PolarHBondContact O-N 3.5Å; N871-S874 PolarHBondContact O-OG 3.33Å; F872-S874 PolarHBondContact O-N 3.35Å; S874-V876 PolarHBondContact O-N 3.11Å; S874-K877 WeakPolarHBondContact O-CB 3.31Å; S874-K877 PolarHBondContact O-N 3.18Å; S874-A878 PolarHBondContact O-N 2.96Å
875	I	94.6	Very high	91.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-64.5	-39.3	172.9	-53.6	177.6	0	0	0	111.2	M504 I510 T832 F849 L867 F872 S873 K877 A878 V879	M504-I875 HydrophobicContact CE-CG2 3.57Å; I510-I875 HydrophobicContact CD1-CG2 4.11Å; T832-I875 HydrophobicContact CG2-CD1 3.55Å; F849-I875 HydrophobicContact CD1-CG1 4.09Å; F849-I875 HydrophobicContact CE1-CG1 4.15Å; F849-I875 HydrophobicContact CE1-CG2 4.31Å; F849-I875 HydrophobicContact CE2-CG2 4.14Å; F849-I875 HydrophobicContact CG-CG1 4.46Å; F849-I875 HydrophobicContact CZ-CG2 3.94Å; L867-I875 HydrophobicContact CD1-CD1 4.04Å; L867-I875 HydrophobicContact CD1-CG1 3.68Å; L867-I875 HydrophobicContact CD2-CG1 4.32Å; F872-I875 HydrophobicContact CD2-CD1 3.71Å; F872-I875 HydrophobicContact CE2-CD1 3.87Å; F872-I875 HydrophobicContact CG-CD1 4.33Å; F872-I875 WeakPolarHBondContact O-CB 3.33Å; F872-I875 PolarHBondContact O-N 3.06Å; F872-I875 VanDerWaalsContact O-N 3.13Å; S873-I875 VanDerWaalsContact C-N 3.28Å; S873-I875 PolarHBondContact O-N 3Å; I875-K877 VanDerWaalsContact C-N 3.29Å; I875-K877 PolarHBondContact O-N 3.36Å; I875-A878 WeakPolarHBondContact O-CB 3.43Å; I875-A878 PolarHBondContact O-N 3.38Å; I875-A878 VanDerWaalsContact O-N 3.14Å; I875-V879 PolarHBondContact O-N 2.99Å
876	V	94.6	Very high	91.5	Very high	10 Å²	10	14.6 Å²	14.6	6%	0.061	8%	0.076	C	C	.	.	H	α-helix	trans	-62.9	-38.5	175.5	-174.1	0	0	0	0	110.8	A730 K733 S873 S874 V879 M880 L949	A730-V876 HydrophobicContact CB-CG2 3.76Å; K733-V876 HydrophobicContact CB-CG1 4.03Å; K733-V876 HydrophobicContact CD-CG1 4.47Å; S873-V876 WeakPolarHBondContact O-CB 3.42Å; S873-V876 PolarHBondContact O-N 2.78Å; S873-V876 VanDerWaalsContact O-N 3.15Å; S874-V876 PolarHBondContact O-N 3.11Å; V876-V879 PolarHBondContact O-N 3.18Å; V876-M880 PolarHBondContact O-N 3.24Å; V876-M880 VanDerWaalsContact O-N 3.08Å; V876-L949 HydrophobicContact CG1-CD1 3.67Å
877	K	94.1	Very high	91.4	Very high	67 Å²	67	14.1 Å²	14.1	29%	0.291	7%	0.074	S	C	.	.	H	α-helix	trans	-65.7	-39.8	172.7	-59.5	-180	-167.4	169.6	0	111.7	D491 S873 S874 I875 M880 W881	D491-K877 HydrophobicContact CB-CD 3.81Å; S873-K877 PolarHBondContact O-N 3.38Å; S873-K877 VanDerWaalsContact O-N 3.16Å; S874-K877 WeakPolarHBondContact O-CB 3.31Å; S874-K877 PolarHBondContact O-N 3.18Å; I875-K877 VanDerWaalsContact C-N 3.29Å; I875-K877 PolarHBondContact O-N 3.36Å; K877-M880 WeakPolarHBondContact O-CB 3.5Å; K877-M880 PolarHBondContact O-N 3.25Å; K877-M880 VanDerWaalsContact O-N 3.12Å; K877-W881 PolarHBondContact O-N 3.19Å
878	A	94.3	Very high	91.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.2	-43.4	175.9	0	0	0	0	0	112.5	M488 M504 F849 S874 I875 M880 W881 G882	M488-A878 HydrophobicContact CE-CB 3.8Å; M504-A878 HydrophobicContact CG-CB 4.24Å; F849-A878 HydrophobicContact CE1-CB 4.13Å; F849-A878 HydrophobicContact CZ-CB 4.1Å; S874-A878 PolarHBondContact O-N 2.96Å; I875-A878 WeakPolarHBondContact O-CB 3.43Å; I875-A878 PolarHBondContact O-N 3.38Å; I875-A878 VanDerWaalsContact O-N 3.14Å; A878-M880 VanDerWaalsContact C-N 3.3Å; A878-M880 PolarHBondContact O-N 2.66Å; A878-W881 PolarHBondContact O-N 3.01Å; A878-G882 PolarHBondContact O-N 3.4Å
879	V	94.6	Very high	91.3	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.006	6%	0.063	C	C	.	.	H	α-helix	trans	-57.8	-43.8	170.9	172.8	0	0	0	0	111.2	M504 I739 I875 V876 G882 R883 L949	M504-V879 HydrophobicContact CE-CG2 3.42Å; M504-V879 VanDerWaalsContact CE-CG2 3.42Å; M504-V879 HydrophobicContact CG-CG2 4.02Å; M504-V879 HydrophobicContact SD-CG2 4.41Å; I739-V879 HydrophobicContact CD1-CB 4.44Å; I739-V879 HydrophobicContact CD1-CG1 3.78Å; I739-V879 HydrophobicContact CD1-CG2 3.78Å; I875-V879 PolarHBondContact O-N 2.99Å; V876-V879 PolarHBondContact O-N 3.18Å; V879-G882 PolarHBondContact O-N 3.5Å; V879-R883 WeakPolarHBondContact O-CB 3.15Å; V879-R883 VanDerWaalsContact O-CG 3.31Å; V879-R883 WeakPolarHBondContact O-CG 3.38Å; V879-R883 PolarHBondContact O-N 3.33Å; V879-L949 HydrophobicContact CG1-CD2 3.98Å
880	M	94.1	Very high	91.4	Very high	28 Å²	28	10.8 Å²	10.8	14%	0.138	6%	0.055	C	C	.	.	H	α-helix	trans	-65	-43.4	-179.3	-157.6	-166	-65	0	0	111.8	V876 K877 A878 N884 P944 E946 L948 L949	V876-M880 PolarHBondContact O-N 3.24Å; V876-M880 VanDerWaalsContact O-N 3.08Å; K877-M880 WeakPolarHBondContact O-CB 3.5Å; K877-M880 PolarHBondContact O-N 3.25Å; K877-M880 VanDerWaalsContact O-N 3.12Å; A878-M880 VanDerWaalsContact C-N 3.3Å; A878-M880 PolarHBondContact O-N 2.66Å; M880-N884 WeakPolarHBondContact O-CB 3.33Å; M880-N884 PolarHBondContact O-N 3.19Å; M880-P944 HydrophobicContact CG-CB 3.85Å; M880-P944 HydrophobicContact SD-CB 3.85Å; M880-P944 HydrophobicContact SD-CG 4.31Å; M880-E946 HydrophobicContact CE-CG 4.15Å; M880-L948 HydrophobicContact CG-CB 4.37Å; M880-L948 HydrophobicContact CG-CD1 4.2Å; M880-L949 HydrophobicContact CB-CD2 4.32Å; M880-L949 HydrophobicContact CE-CD1 3.64Å; M880-L949 HydrophobicContact CE-CG 4.19Å; M880-L949 HydrophobicContact CG-CG 4.38Å
881	W	93.5	Very high	91.6	Very high	14 Å²	14	11.1 Å²	11.1	5%	0.053	6%	0.056	C	C	.	.	H	α-helix	trans	-65.3	-45.2	174.9	-84.1	107.8	0	0	0	112.3	K487 M488 D491 K877 A878 R883 N884 V885 P944	K487-W881 HydrophobicContact CB-CH2 3.36Å; K487-W881 HydrophobicContact CB-CZ2 3.32Å; K487-W881 HydrophobicContact CB-CZ3 4.06Å; K487-W881 HydrophobicContact CG-CH2 3.68Å; K487-W881 HydrophobicContact CG-CZ2 4.09Å; K487-W881 HydrophobicContact CG-CZ3 4.39Å; M488-W881 HydrophobicContact CG-CB 3.66Å; M488-W881 VanDerWaalsContact CG-CD1 3.48Å; M488-W881 HydrophobicContact CG-CD2 4.01Å; M488-W881 HydrophobicContact CG-CG 3.43Å; M488-W881 VanDerWaalsContact CG-CG 3.43Å; M488-W881 HydrophobicContact SD-CB 3.62Å; M488-W881 HydrophobicContact SD-CG 4.1Å; D491-W881 PolarHBondContact OD2-NE1 3.33Å; K877-W881 PolarHBondContact O-N 3.19Å; A878-W881 PolarHBondContact O-N 3.01Å; W881-R883 PolarHBondContact O-N 2.89Å; W881-N884 CarbonylContact O-C 3.5Å; W881-N884 WeakPolarHBondContact O-CA 3.41Å; W881-N884 WeakPolarHBondContact O-CB 3.47Å; W881-N884 PolarHBondContact O-N 2.95Å; W881-V885 PolarHBondContact O-N 2.96Å; W881-P944 HydrophobicContact CD2-CG 3.92Å; W881-P944 HydrophobicContact CE3-CG 4.24Å; W881-P944 HydrophobicContact CG-CG 4.44Å; W881-P944 HydrophobicContact CH2-CG 4.11Å; W881-P944 HydrophobicContact CZ2-CG 3.79Å; W881-P944 HydrophobicContact CZ3-CG 4.34Å
882	G	92	Very high	91.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.4	-40	177.1	0	0	0	0	0	113.4	C501 A878 V879 N884 V885 Y886	C501-G882 WeakPolarHBondContact O-CA 3.49Å; A878-G882 PolarHBondContact O-N 3.4Å; V879-G882 PolarHBondContact O-N 3.5Å; G882-N884 VanDerWaalsContact C-N 3.27Å; G882-N884 PolarHBondContact O-N 2.88Å; G882-V885 PolarHBondContact O-N 3.06Å; G882-Y886 PolarHBondContact O-N 2.91Å
883	R	91.7	Very high	91.8	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.008	5%	0.049	C	C	.	.	H	α-helix	trans	-64.6	-31.6	171.7	-72.7	178.1	-179.2	-161.1	1.4	112.5	G505 A737 V879 W881 D887 L948 R951	G505-R883 VanDerWaalsContact O-CG 3.22Å; G505-R883 WeakPolarHBondContact O-CG 3.29Å; G505-R883 PolarHBondContact O-NE 3.38Å; A737-R883 PolarHBondContact O-NH2 3.04Å; V879-R883 WeakPolarHBondContact O-CB 3.15Å; V879-R883 VanDerWaalsContact O-CG 3.31Å; V879-R883 WeakPolarHBondContact O-CG 3.38Å; V879-R883 PolarHBondContact O-N 3.33Å; W881-R883 PolarHBondContact O-N 2.89Å; R883-D887 PolarHBondContact O-N 3.13Å; R883-L948 HydrophobicContact CB-CB 4.27Å; R883-L948 WeakPolarHBondContact CD-O 3.35Å; R883-L948 PolarHBondContact NH1-O 3.09Å; R883-R951 PolarHBondContact NH1-O 3.41Å
884	N	91.9	Very high	91.8	Very high	4 Å²	4	8.3 Å²	8.3	2%	0.021	4%	0.038	C	C	.	.	H	α-helix	trans	-74.8	-36.5	177.8	-171.6	68.6	0	0	0	112.9	M880 W881 G882 D887 S888 E942 P944 L948	M880-N884 WeakPolarHBondContact O-CB 3.33Å; M880-N884 PolarHBondContact O-N 3.19Å; W881-N884 CarbonylContact O-C 3.5Å; W881-N884 WeakPolarHBondContact O-CA 3.41Å; W881-N884 WeakPolarHBondContact O-CB 3.47Å; W881-N884 PolarHBondContact O-N 2.95Å; G882-N884 VanDerWaalsContact C-N 3.27Å; G882-N884 PolarHBondContact O-N 2.88Å; N884-D887 PolarHBondContact O-N 3.18Å; N884-S888 VanDerWaalsContact O-CB 3.26Å; N884-S888 WeakPolarHBondContact O-CB 3.23Å; N884-S888 PolarHBondContact O-N 3.38Å; N884-S888 PolarHBondContact O-OG 3.26Å; N884-E942 PolarHBondContact ND2-O 3.22Å; N884-P944 HydrophobicContact CB-CB 3.88Å; N884-L948 HydrophobicContact CB-CD1 3.8Å
885	V	89.9	Confident	91.8	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-57.1	-50.9	174	168.7	0	0	0	0	110.3	L481 S484 W881 G882 S888 I889	L481-V885 HydrophobicContact CD1-CG1 4.18Å; S484-V885 WeakPolarHBondContact OG-CG2 3.32Å; W881-V885 PolarHBondContact O-N 2.96Å; G882-V885 PolarHBondContact O-N 3.06Å; V885-S888 PolarHBondContact O-N 3.03Å; V885-I889 HydrophobicContact CG1-CD1 3.73Å; V885-I889 WeakPolarHBondContact O-CD1 3.43Å; V885-I889 WeakPolarHBondContact O-CG1 3.42Å; V885-I889 PolarHBondContact O-N 3.42Å
886	Y	87.4	Confident	91.7	Very high	18 Å²	18	8.4 Å²	8.4	7%	0.071	4%	0.039	C	C	.	.	H	α-helix	trans	-60.3	-48.7	178.2	-174.2	-85.3	0	0	0	112	L400 G882 S888 I889 S890 Y954 L960	L400-Y886 HydrophobicContact CD1-CD2 4.3Å; L400-Y886 HydrophobicContact CD1-CE2 4.21Å; L400-Y886 HydrophobicContact CD2-CD2 4.38Å; G882-Y886 PolarHBondContact O-N 2.91Å; Y886-S888 VanDerWaalsContact C-N 3.34Å; Y886-S888 PolarHBondContact O-N 3.5Å; Y886-I889 PolarHBondContact O-N 3.06Å; Y886-S890 PolarHBondContact O-N 3.27Å; Y886-S890 PolarHBondContact O-OG 3.35Å; Y886-Y954 AromaticContact CD1-CD2 3.53Å; Y886-Y954 HydrophobicContact CD1-CD2 3.53Å; Y886-Y954 AromaticContact CD1-CE2 3.27Å; Y886-Y954 HydrophobicContact CD1-CE2 3.27Å; Y886-Y954 HydrophobicContact CD1-CG 4.28Å; Y886-Y954 AromaticContact CD1-CZ 3.86Å; Y886-Y954 HydrophobicContact CE1-CD1 4.23Å; Y886-Y954 AromaticContact CE1-CD2 3.7Å; Y886-Y954 HydrophobicContact CE1-CD2 3.7Å; Y886-Y954 HydrophobicContact CE1-CE1 4.2Å; Y886-Y954 AromaticContact CE1-CE2 3.63Å; Y886-Y954 HydrophobicContact CE1-CE2 3.63Å; Y886-Y954 AromaticContact CE1-CG 3.97Å; Y886-Y954 HydrophobicContact CE1-CG 3.97Å; Y886-Y954 AromaticContact CE1-CZ 3.87Å; Y886-Y954 HydrophobicContact CG-CD2 4.1Å; Y886-Y954 HydrophobicContact CG-CE2 4.12Å; Y886-L960 HydrophobicContact CE2-CD1 3.78Å
887	D	89.3	Confident	91.5	Very high	4 Å²	4	8.8 Å²	8.8	2%	0.021	4%	0.04	C	C	.	.	H	α-helix	trans	-61.9	-40.5	178.8	-82	24.1	0	0	0	112.4	R883 N884 S890 K891 L948 R951 Y954 I1030 H1031	R883-D887 PolarHBondContact O-N 3.13Å; N884-D887 PolarHBondContact O-N 3.18Å; D887-S890 PolarHBondContact O-N 3.18Å; D887-K891 VanDerWaalsContact O-CG 3.28Å; D887-K891 WeakPolarHBondContact O-CG 3.35Å; D887-K891 PolarHBondContact O-N 3.42Å; D887-L948 VanDerWaalsContact OD2-CD2 3.32Å; D887-L948 WeakPolarHBondContact OD2-CD2 3.26Å; D887-R951 IonicContact OD1-CZ 3.84Å; D887-R951 IonicContact OD1-NH1 2.71Å; D887-R951 IonicContact OD1-NH2 3.66Å; D887-R951 PolarHBondContact OD1-NH2 3.42Å; D887-R951 IonicContact OD2-CZ 2.64Å; D887-R951 IonicContact OD2-NH1 2.67Å; D887-R951 PolarHBondContact OD2-NH1 3.43Å; D887-R951 IonicContact OD2-NH2 3.34Å; D887-R951 PolarHBondContact OD2-NH2 3.4Å; D887-Y954 WeakPolarHBondContact OD1-CE2 3.34Å; D887-Y954 PolarHBondContact OD1-OH 3.4Å; D887-I1030 HydrophobicContact CB-CD1 4.34Å; D887-H1031 IonicContact OD1-NE2 2.7Å; D887-H1031 PolarHBondContact OD1-NE2 3.3Å; D887-H1031 IonicContact OD2-CE1 2.83Å; D887-H1031 IonicContact OD2-ND1 3.78Å; D887-H1031 IonicContact OD2-NE2 3.48Å; D887-H1031 PolarHBondContact OD2-NE2 3.22Å
888	S	89.8	Confident	91.5	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-67.8	-37.3	-178.7	-56.5	0	0	0	0	111.8	N884 V885 Y886 K891 F892	N884-S888 VanDerWaalsContact O-CB 3.26Å; N884-S888 WeakPolarHBondContact O-CB 3.23Å; N884-S888 PolarHBondContact O-N 3.38Å; N884-S888 PolarHBondContact O-OG 3.26Å; V885-S888 PolarHBondContact O-N 3.03Å; Y886-S888 VanDerWaalsContact C-N 3.34Å; Y886-S888 PolarHBondContact O-N 3.5Å; S888-K891 PolarHBondContact O-N 2.94Å; S888-F892 PolarHBondContact O-N 2.89Å; S888-F892 VanDerWaalsContact O-N 3.1Å
889	I	88.4	Confident	91.4	Very high	3 Å²	3	5.6 Å²	5.6	2%	0.015	3%	0.026	C	C	.	.	H	α-helix	trans	-68.5	-38.4	172.5	-67.2	161.7	0	0	0	110.9	L400 L404 V477 V885 Y886 F892 L893	L400-I889 HydrophobicContact CD2-CB 4.28Å; L400-I889 HydrophobicContact CD2-CD1 3.38Å; L400-I889 HydrophobicContact CD2-CG1 4.42Å; L400-I889 HydrophobicContact CD2-CG2 4.1Å; L404-I889 HydrophobicContact CD1-CG2 4.08Å; V477-I889 HydrophobicContact CB-CD1 4.24Å; V477-I889 HydrophobicContact CG1-CD1 4.11Å; V477-I889 HydrophobicContact CG2-CD1 4.15Å; V885-I889 HydrophobicContact CG1-CD1 3.73Å; V885-I889 WeakPolarHBondContact O-CD1 3.43Å; V885-I889 WeakPolarHBondContact O-CG1 3.42Å; V885-I889 PolarHBondContact O-N 3.42Å; Y886-I889 PolarHBondContact O-N 3.06Å; I889-F892 PolarHBondContact O-N 3.1Å; I889-L893 HydrophobicContact CG2-CD1 4.11Å; I889-L893 WeakPolarHBondContact O-CB 3.44Å; I889-L893 WeakPolarHBondContact O-CG 3.48Å; I889-L893 PolarHBondContact O-N 2.77Å
890	S	89.3	Confident	91.2	Very high	5 Å²	5	6 Å²	6	4%	0.035	3%	0.028	C	C	.	.	H	α-helix	trans	-65.8	-36	173.4	-65.2	0	0	0	0	113.6	Y886 D887 Q894 M965	Y886-S890 PolarHBondContact O-N 3.27Å; Y886-S890 PolarHBondContact O-OG 3.35Å; D887-S890 PolarHBondContact O-N 3.18Å; S890-Q894 PolarHBondContact O-N 2.96Å; S890-M965 WeakPolarHBondContact O-CE 3.39Å
891	K	91.3	Very high	91.1	Very high	15 Å²	15	7 Å²	7	7%	0.065	4%	0.036	C	C	.	.	H	α-helix	trans	-62.2	-51.3	172.7	-68.9	165.7	-162.5	169.3	0	110.9	D887 S888 L893 Q894 F895 E942 A1027 R1028 I1030	D887-K891 VanDerWaalsContact O-CG 3.28Å; D887-K891 WeakPolarHBondContact O-CG 3.35Å; D887-K891 PolarHBondContact O-N 3.42Å; S888-K891 PolarHBondContact O-N 2.94Å; K891-L893 PolarHBondContact O-N 3.23Å; K891-Q894 WeakPolarHBondContact O-CB 3.48Å; K891-Q894 PolarHBondContact O-N 2.79Å; K891-Q894 VanDerWaalsContact O-N 3.13Å; K891-F895 PolarHBondContact O-N 3.09Å; K891-F895 VanDerWaalsContact O-N 3.16Å; K891-E942 IonicContact NZ-OE2 4Å; K891-E942 PolarHBondContact NZ-OE2 2.98Å; K891-A1027 WeakPolarHBondContact CB-O 3.36Å; K891-A1027 WeakPolarHBondContact CG-O 3.35Å; K891-R1028 WeakPolarHBondContact CD-O 3.28Å; K891-R1028 VanDerWaalsContact CE-O 3.23Å; K891-R1028 WeakPolarHBondContact CE-O 3.38Å; K891-I1030 HydrophobicContact CB-CG2 4.43Å; K891-I1030 HydrophobicContact CG-CG2 3.91Å
892	F	91.5	Very high	91.1	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.009	3%	0.033	C	C	.	.	H	α-helix	trans	-56.8	-48.6	176.3	167.1	-113.2	0	0	0	112	L473 A476 S888 I889 Q894 F895 Q896 L939	L473-F892 HydrophobicContact CD2-CE1 3.69Å; L473-F892 HydrophobicContact CD2-CZ 4.32Å; A476-F892 HydrophobicContact CB-CD1 3.37Å; A476-F892 HydrophobicContact CB-CE1 3.27Å; A476-F892 HydrophobicContact CB-CG 4.16Å; A476-F892 HydrophobicContact CB-CZ 4.02Å; S888-F892 PolarHBondContact O-N 2.89Å; S888-F892 VanDerWaalsContact O-N 3.1Å; I889-F892 PolarHBondContact O-N 3.1Å; F892-Q894 VanDerWaalsContact C-N 3.29Å; F892-Q894 PolarHBondContact O-N 3.09Å; F892-F895 WeakPolarHBondContact O-CB 3.16Å; F892-F895 PolarHBondContact O-N 2.6Å; F892-Q896 HydrophobicContact CE2-CB 4.12Å; F892-Q896 HydrophobicContact CE2-CG 4.45Å; F892-Q896 HydrophobicContact CZ-CB 4.18Å; F892-Q896 HydrophobicContact CZ-CG 4.15Å; F892-Q896 WeakPolarHBondContact O-CB 3.27Å; F892-Q896 PolarHBondContact O-N 3.31Å; F892-L939 HydrophobicContact CB-CB 4.22Å
893	L	89.7	Confident	91.1	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-59.1	-36.7	175.5	-78.2	165.8	0	0	0	113.3	L404 L407 L473 I889 K891 F895 L897 L960 M965	L404-L893 HydrophobicContact CD2-CD1 4Å; L404-L893 HydrophobicContact CD2-CD2 3.91Å; L404-L893 HydrophobicContact CD2-CG 4.38Å; L407-L893 HydrophobicContact CD2-CD2 3.9Å; L473-L893 HydrophobicContact CD1-CD2 4.29Å; L473-L893 HydrophobicContact CD2-CD2 3.53Å; I889-L893 HydrophobicContact CG2-CD1 4.11Å; I889-L893 WeakPolarHBondContact O-CB 3.44Å; I889-L893 WeakPolarHBondContact O-CG 3.48Å; I889-L893 PolarHBondContact O-N 2.77Å; K891-L893 PolarHBondContact O-N 3.23Å; L893-F895 VanDerWaalsContact C-N 3.31Å; L893-L897 HydrophobicContact CD2-CD1 4.49Å; L893-L897 VanDerWaalsContact O-CB 3.24Å; L893-L897 WeakPolarHBondContact O-CB 3.29Å; L893-L897 WeakPolarHBondContact O-CG 3.5Å; L893-L897 PolarHBondContact O-N 3.47Å; L893-L960 HydrophobicContact CD1-CD1 4.19Å; L893-L960 HydrophobicContact CD1-CD2 3.54Å; L893-L960 HydrophobicContact CD1-CG 3.68Å; L893-M965 HydrophobicContact CB-CE 3.39Å
894	Q	92.6	Very high	91	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-64.4	-42.9	179.1	-169.2	-174.2	-86.3	0	0	109.9	S890 K891 F892 T898 M965 N968 I969 I1030	S890-Q894 PolarHBondContact O-N 2.96Å; K891-Q894 WeakPolarHBondContact O-CB 3.48Å; K891-Q894 PolarHBondContact O-N 2.79Å; K891-Q894 VanDerWaalsContact O-N 3.13Å; F892-Q894 VanDerWaalsContact C-N 3.29Å; F892-Q894 PolarHBondContact O-N 3.09Å; Q894-T898 WeakPolarHBondContact O-CB 3.31Å; Q894-T898 PolarHBondContact O-N 3.16Å; Q894-T898 PolarHBondContact O-OG1 3.03Å; Q894-M965 HydrophobicContact CB-CE 4.08Å; Q894-M965 HydrophobicContact CB-CG 4.08Å; Q894-M965 HydrophobicContact CG-CG 4.01Å; Q894-N968 HydrophobicContact CG-CB 4.28Å; Q894-N968 PolarHBondContact OE1-ND2 3.41Å; Q894-I969 HydrophobicContact CG-CG1 3.94Å; Q894-I1030 HydrophobicContact CB-CG2 4.48Å
895	F	93.9	Very high	91	Very high	1 Å²	1	10 Å²	10	0%	0.004	5%	0.053	C	C	.	.	H	α-helix	trans	-63.9	-60.8	175.1	-176.6	-117.9	0	0	0	111.4	K891 F892 L893 L897 T898 V899 M931 A935 L939 Q1020 N1023 E1024 A1027	K891-F895 PolarHBondContact O-N 3.09Å; K891-F895 VanDerWaalsContact O-N 3.16Å; F892-F895 WeakPolarHBondContact O-CB 3.16Å; F892-F895 PolarHBondContact O-N 2.6Å; L893-F895 VanDerWaalsContact C-N 3.31Å; F895-L897 VanDerWaalsContact C-N 3.33Å; F895-L897 PolarHBondContact O-N 3.06Å; F895-T898 WeakPolarHBondContact O-CA 3.43Å; F895-T898 WeakPolarHBondContact O-CB 3.46Å; F895-T898 PolarHBondContact O-N 2.88Å; F895-V899 HydrophobicContact CD2-CG2 4.32Å; F895-V899 HydrophobicContact CE1-CG2 4.35Å; F895-V899 HydrophobicContact CE2-CG2 3.97Å; F895-V899 HydrophobicContact CZ-CG2 4.01Å; F895-V899 PolarHBondContact O-N 3.03Å; F895-V899 VanDerWaalsContact O-N 3.07Å; F895-M931 HydrophobicContact CE1-CB 4.31Å; F895-A935 HydrophobicContact CD1-CB 3.43Å; F895-A935 VanDerWaalsContact CD1-CB 3.43Å; F895-A935 HydrophobicContact CE1-CB 3.28Å; F895-A935 HydrophobicContact CZ-CB 4.43Å; F895-L939 HydrophobicContact CB-CD1 3.8Å; F895-L939 HydrophobicContact CD1-CD1 4.22Å; F895-L939 HydrophobicContact CG-CD1 4.17Å; F895-Q1020 HydrophobicContact CE2-CB 4.21Å; F895-Q1020 VanDerWaalsContact CE2-O 3.26Å; F895-Q1020 WeakPolarHBondContact CE2-O 3.24Å; F895-Q1020 HydrophobicContact CZ-CB 4.14Å; F895-N1023 HydrophobicContact CD2-CB 4.46Å; F895-N1023 HydrophobicContact CE2-CB 4.24Å; F895-E1024 HydrophobicContact CD1-CG 4.43Å; F895-E1024 HydrophobicContact CD2-CB 4.17Å; F895-E1024 HydrophobicContact CD2-CG 4.44Å; F895-E1024 HydrophobicContact CE1-CG 4.2Å; F895-E1024 HydrophobicContact CE2-CB 3.78Å; F895-E1024 HydrophobicContact CE2-CG 4.26Å; F895-E1024 HydrophobicContact CZ-CB 3.95Å; F895-E1024 HydrophobicContact CZ-CG 4.12Å; F895-A1027 HydrophobicContact CB-CB 3.75Å; F895-A1027 HydrophobicContact CD2-CB 4.37Å; F895-A1027 HydrophobicContact CG-CB 4.46Å
896	Q	91.9	Very high	91	Very high	2 Å²	2	10 Å²	10	1%	0.009	5%	0.053	C	C	.	.	H	α-helix	trans	-54.3	-45.5	-175.3	-174.8	65.2	-15.7	0	0	112.4	P470 L473 F892 T898 V899 N900 M931 D932	P470-Q896 HydrophobicContact CB-CG 3.99Å; L473-Q896 HydrophobicContact CD2-CG 4.32Å; F892-Q896 HydrophobicContact CE2-CB 4.12Å; F892-Q896 HydrophobicContact CE2-CG 4.45Å; F892-Q896 HydrophobicContact CZ-CB 4.18Å; F892-Q896 HydrophobicContact CZ-CG 4.15Å; F892-Q896 WeakPolarHBondContact O-CB 3.27Å; F892-Q896 PolarHBondContact O-N 3.31Å; Q896-T898 VanDerWaalsContact C-N 3.34Å; Q896-T898 PolarHBondContact O-N 3Å; Q896-V899 PolarHBondContact O-N 2.87Å; Q896-N900 PolarHBondContact O-N 3.18Å; Q896-N900 PolarHBondContact O-OD1 3.45Å; Q896-M931 VanDerWaalsContact OE1-CB 3.23Å; Q896-M931 VanDerWaalsContact OE1-CE 3.24Å; Q896-M931 VanDerWaalsContact OE1-CG 3.27Å; Q896-M931 PolarHBondContact OE1-O 2.91Å; Q896-D932 PolarHBondContact NE2-OD1 3.42Å; Q896-D932 VanDerWaalsContact NE2-OD1 3.16Å; Q896-D932 PolarHBondContact NE2-OD2 3.1Å
897	L	90.8	Very high	90.9	Very high	17 Å²	17	9.3 Å²	9.3	9%	0.089	5%	0.052	C	C	.	.	H	α-helix	trans	-69.8	-28.9	178.6	-64.5	173.9	0	0	0	113.3	I411 L893 F895 V901 I961 I969	I411-L897 HydrophobicContact CD1-CD2 3.58Å; L893-L897 HydrophobicContact CD2-CD1 4.49Å; L893-L897 VanDerWaalsContact O-CB 3.24Å; L893-L897 WeakPolarHBondContact O-CB 3.29Å; L893-L897 WeakPolarHBondContact O-CG 3.5Å; L893-L897 PolarHBondContact O-N 3.47Å; F895-L897 VanDerWaalsContact C-N 3.33Å; F895-L897 PolarHBondContact O-N 3.06Å; L897-V901 WeakPolarHBondContact O-CB 3.41Å; L897-V901 WeakPolarHBondContact O-CG2 3.24Å; L897-V901 PolarHBondContact O-N 3.29Å; L897-V901 VanDerWaalsContact O-N 3.1Å; L897-I961 HydrophobicContact CD1-CD1 3.56Å; L897-I961 HydrophobicContact CD1-CG1 4.23Å; L897-I969 HydrophobicContact CB-CD1 3.98Å; L897-I969 HydrophobicContact CB-CG1 4.48Å; L897-I969 HydrophobicContact CB-CG2 4.5Å; L897-I969 HydrophobicContact CD1-CD1 4.09Å
898	T	93.8	Very high	90.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-67.2	-47.4	173.5	-54.8	0	0	0	0	110.1	Q894 F895 Q896 V901 V902 I969 H972 N1023	Q894-T898 WeakPolarHBondContact O-CB 3.31Å; Q894-T898 PolarHBondContact O-N 3.16Å; Q894-T898 PolarHBondContact O-OG1 3.03Å; F895-T898 WeakPolarHBondContact O-CA 3.43Å; F895-T898 WeakPolarHBondContact O-CB 3.46Å; F895-T898 PolarHBondContact O-N 2.88Å; Q896-T898 VanDerWaalsContact C-N 3.34Å; Q896-T898 PolarHBondContact O-N 3Å; T898-V901 PolarHBondContact O-N 2.95Å; T898-V902 WeakPolarHBondContact O-CG2 3.47Å; T898-V902 PolarHBondContact O-N 3.23Å; T898-V902 VanDerWaalsContact O-N 3.14Å; T898-I969 WeakPolarHBondContact OG1-CA 3.16Å; T898-H972 HydrophobicContact CG2-CB 3.73Å; T898-N1023 WeakPolarHBondContact CG2-ND2 3.44Å
899	V	92.9	Very high	90.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.1	-47.6	178.2	-170.9	0	0	0	0	110.8	F895 Q896 V901 V902 A903 V927 M931 F1016 Q1020	F895-V899 HydrophobicContact CD2-CG2 4.32Å; F895-V899 HydrophobicContact CE1-CG2 4.35Å; F895-V899 HydrophobicContact CE2-CG2 3.97Å; F895-V899 HydrophobicContact CZ-CG2 4.01Å; F895-V899 PolarHBondContact O-N 3.03Å; F895-V899 VanDerWaalsContact O-N 3.07Å; Q896-V899 PolarHBondContact O-N 2.87Å; V899-V901 PolarHBondContact O-N 3.39Å; V899-V902 PolarHBondContact O-N 3.03Å; V899-A903 WeakPolarHBondContact O-CB 3.46Å; V899-A903 PolarHBondContact O-N 2.88Å; V899-V927 HydrophobicContact CG1-CG1 4.04Å; V899-M931 HydrophobicContact CB-CB 4.27Å; V899-M931 HydrophobicContact CB-CE 3.63Å; V899-M931 HydrophobicContact CB-SD 4.2Å; V899-M931 HydrophobicContact CG1-CB 4.12Å; V899-M931 HydrophobicContact CG1-CE 3.59Å; V899-M931 HydrophobicContact CG1-CG 4.48Å; V899-M931 HydrophobicContact CG1-SD 3.54Å; V899-M931 VanDerWaalsContact CG1-SD 3.54Å; V899-M931 HydrophobicContact CG2-CB 4.24Å; V899-F1016 HydrophobicContact CG1-CZ 4.22Å; V899-Q1020 HydrophobicContact CG1-CG 4.29Å; V899-Q1020 HydrophobicContact CG2-CG 4.06Å
900	N	90	Very high	90.4	Very high	9 Å²	9	12.9 Å²	12.9	5%	0.048	7%	0.07	C	C	.	.	H	α-helix	trans	-54	-50.6	176.4	-80.2	30.9	0	0	0	112	A468 Q896 V902 A903 V904 M931	A468-N900 PolarHBondContact O-ND2 3.43Å; A468-N900 VanDerWaalsContact O-ND2 3.13Å; Q896-N900 PolarHBondContact O-N 3.18Å; Q896-N900 PolarHBondContact O-OD1 3.45Å; N900-V902 PolarHBondContact O-N 2.88Å; N900-A903 PolarHBondContact O-N 2.72Å; N900-V904 WeakPolarHBondContact O-CB 3.48Å; N900-V904 VanDerWaalsContact O-CG2 3.31Å; N900-V904 WeakPolarHBondContact O-CG2 3.42Å; N900-V904 PolarHBondContact O-N 2.97Å; N900-M931 WeakPolarHBondContact OD1-CE 3.35Å
901	V	92.1	Very high	89.9	Confident	49 Å²	49	12.8 Å²	12.8	30%	0.297	7%	0.069	S	C	.	.	H	α-helix	trans	-61.3	-45.4	-176.6	166.8	0	0	0	0	110.9	L897 T898 V899 I905 A973	L897-V901 WeakPolarHBondContact O-CB 3.41Å; L897-V901 WeakPolarHBondContact O-CG2 3.24Å; L897-V901 PolarHBondContact O-N 3.29Å; L897-V901 VanDerWaalsContact O-N 3.1Å; T898-V901 PolarHBondContact O-N 2.95Å; V899-V901 PolarHBondContact O-N 3.39Å; V901-I905 HydrophobicContact CG1-CD1 3.84Å; V901-I905 WeakPolarHBondContact O-CB 3.46Å; V901-I905 WeakPolarHBondContact O-CD1 3.44Å; V901-I905 WeakPolarHBondContact O-CG1 3.29Å; V901-I905 PolarHBondContact O-N 3.3Å; V901-A973 HydrophobicContact CG1-CB 4.04Å
902	V	93.7	Very high	89.5	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-69.9	-46.8	179.8	-179.2	0	0	0	0	110.9	T898 V899 N900 V904 I905 V906 A973 Q976 L977 F1016	T898-V902 WeakPolarHBondContact O-CG2 3.47Å; T898-V902 PolarHBondContact O-N 3.23Å; T898-V902 VanDerWaalsContact O-N 3.14Å; V899-V902 PolarHBondContact O-N 3.03Å; N900-V902 PolarHBondContact O-N 2.88Å; V902-V904 PolarHBondContact O-N 3.24Å; V902-I905 PolarHBondContact O-N 2.96Å; V902-V906 HydrophobicContact CG1-CG2 3.95Å; V902-V906 WeakPolarHBondContact O-CB 3.46Å; V902-V906 VanDerWaalsContact O-CG2 3.24Å; V902-V906 WeakPolarHBondContact O-CG2 3.47Å; V902-V906 PolarHBondContact O-N 3.16Å; V902-A973 VanDerWaalsContact CG2-CA 3.45Å; V902-A973 HydrophobicContact CG2-CB 3.57Å; V902-Q976 HydrophobicContact CG1-CB 3.92Å; V902-Q976 HydrophobicContact CG2-CB 4.02Å; V902-L977 HydrophobicContact CG1-CD2 4.02Å; V902-L977 HydrophobicContact CG1-CG 4.25Å; V902-L977 HydrophobicContact CG2-CG 4.4Å; V902-F1016 HydrophobicContact CB-CE2 4.32Å; V902-F1016 HydrophobicContact CG1-CE2 3.72Å
903	A	90.3	Very high	89.1	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.7	-43.3	-176.9	0	0	0	0	0	112.5	V467 V899 N900 A907 M924 F1016	V467-A903 HydrophobicContact CG1-CB 3.48Å; V467-A903 VanDerWaalsContact CG1-CB 3.48Å; V899-A903 WeakPolarHBondContact O-CB 3.46Å; V899-A903 PolarHBondContact O-N 2.88Å; N900-A903 PolarHBondContact O-N 2.72Å; A903-A907 VanDerWaalsContact O-CB 3.29Å; A903-A907 WeakPolarHBondContact O-CB 3.33Å; A903-A907 PolarHBondContact O-N 3.38Å; A903-M924 HydrophobicContact CB-CE 3.96Å; A903-F1016 HydrophobicContact CB-CZ 4.16Å
904	V	90	Very high	88.4	Confident	21 Å²	21	18.2 Å²	18.2	13%	0.127	10%	0.1	C	C	.	.	H	α-helix	trans	-65.4	-42.8	175.8	173.4	0	0	0	0	111.4	M418 V464 V467 A468 N900 V902 F908	M418-V904 HydrophobicContact CB-CG1 4.32Å; M418-V904 HydrophobicContact CG-CG1 4.42Å; V464-V904 HydrophobicContact CG1-CG1 4.48Å; V467-V904 HydrophobicContact CG1-CG2 4.44Å; A468-V904 HydrophobicContact CB-CG2 3.75Å; N900-V904 WeakPolarHBondContact O-CB 3.48Å; N900-V904 VanDerWaalsContact O-CG2 3.31Å; N900-V904 WeakPolarHBondContact O-CG2 3.42Å; N900-V904 PolarHBondContact O-N 2.97Å; V902-V904 PolarHBondContact O-N 3.24Å; V904-F908 WeakPolarHBondContact O-CB 3.49Å; V904-F908 PolarHBondContact O-N 3.09Å
905	I	91.8	Very high	87.5	Confident	62 Å²	62	21 Å²	21	32%	0.318	11%	0.114	S	C	.	.	H	α-helix	trans	-68	-42.5	178.9	-67.8	169.2	0	0	0	111.1	V901 V902 F908 T909 L977 F981	V901-I905 HydrophobicContact CG1-CD1 3.84Å; V901-I905 WeakPolarHBondContact O-CB 3.46Å; V901-I905 WeakPolarHBondContact O-CD1 3.44Å; V901-I905 WeakPolarHBondContact O-CG1 3.29Å; V901-I905 PolarHBondContact O-N 3.3Å; V902-I905 PolarHBondContact O-N 2.96Å; I905-F908 PolarHBondContact O-N 3.13Å; I905-T909 VanDerWaalsContact O-CB 3.26Å; I905-T909 WeakPolarHBondContact O-CB 3.24Å; I905-T909 PolarHBondContact O-N 3.41Å; I905-T909 PolarHBondContact O-OG1 2.98Å; I905-L977 HydrophobicContact CB-CD1 4.47Å; I905-L977 HydrophobicContact CB-CD2 3.92Å; I905-L977 HydrophobicContact CD1-CD1 3.99Å; I905-L977 HydrophobicContact CG2-CD1 4.07Å; I905-L977 HydrophobicContact CG2-CD2 3.54Å; I905-L977 HydrophobicContact CG2-CG 4.48Å; I905-F981 HydrophobicContact CG2-CE2 4.45Å; I905-F981 HydrophobicContact CG2-CZ 4.11Å
906	V	90.3	Very high	86.6	Confident	1 Å²	1	22 Å²	22	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-62	-46.6	177	167.8	0	0	0	0	111	V902 G910 P918 L919 L977 I980	V902-V906 HydrophobicContact CG1-CG2 3.95Å; V902-V906 WeakPolarHBondContact O-CB 3.46Å; V902-V906 VanDerWaalsContact O-CG2 3.24Å; V902-V906 WeakPolarHBondContact O-CG2 3.47Å; V902-V906 PolarHBondContact O-N 3.16Å; V906-G910 WeakPolarHBondContact O-CA 3.02Å; V906-G910 PolarHBondContact O-N 3.25Å; V906-P918 HydrophobicContact CG1-CG 3.64Å; V906-L919 HydrophobicContact CG1-CD1 4.39Å; V906-L977 HydrophobicContact CG2-CD2 3.79Å; V906-I980 HydrophobicContact CB-CG2 4.45Å; V906-I980 HydrophobicContact CG1-CG2 3.84Å; V906-I980 HydrophobicContact CG2-CB 4.22Å; V906-I980 HydrophobicContact CG2-CG2 3.66Å
907	A	85.3	Confident	86	Confident	4 Å²	4	22.1 Å²	22.1	3%	0.033	12%	0.12	C	C	.	.	H	α-helix	trans	-65.7	-44.4	178.3	0	0	0	0	0	111.9	V464 A903 A911	V464-A907 HydrophobicContact CG2-CB 3.74Å; A903-A907 VanDerWaalsContact O-CB 3.29Å; A903-A907 WeakPolarHBondContact O-CB 3.33Å; A903-A907 PolarHBondContact O-N 3.38Å; A907-A911 WeakPolarHBondContact O-CB 3.33Å; A907-A911 PolarHBondContact O-N 3.24Å
908	F	86.8	Confident	85.6	Confident	49 Å²	49	21.4 Å²	21.4	22%	0.215	12%	0.116	C	C	.	.	H	α-helix	trans	-62.6	-54.2	177.2	173.7	-105.5	0	0	0	112.5	M418 I421 T422 I425 V904 I905 A911 C912	M418-F908 HydrophobicContact CE-CB 4.02Å; M418-F908 HydrophobicContact CE-CD1 3.85Å; M418-F908 HydrophobicContact CE-CD2 3.51Å; M418-F908 HydrophobicContact CE-CE1 4.19Å; M418-F908 HydrophobicContact CE-CE2 3.88Å; M418-F908 HydrophobicContact CE-CG 3.5Å; M418-F908 VanDerWaalsContact CE-CG 3.5Å; M418-F908 HydrophobicContact CE-CZ 4.2Å; I421-F908 HydrophobicContact CG2-CE2 3.98Å; T422-F908 WeakPolarHBondContact OG1-CD2 3.38Å; I425-F908 HydrophobicContact CD1-CE2 4.01Å; I425-F908 HydrophobicContact CD1-CZ 4.25Å; V904-F908 WeakPolarHBondContact O-CB 3.49Å; V904-F908 PolarHBondContact O-N 3.09Å; I905-F908 PolarHBondContact O-N 3.13Å; F908-A911 PolarHBondContact O-N 2.97Å; F908-C912 WeakPolarHBondContact O-CB 3.5Å; F908-C912 PolarHBondContact O-N 2.84Å; F908-C912 PolarHBondContact O-SG 3.49Å
909	T	87.2	Confident	85.2	Confident	33 Å²	33	21.5 Å²	21.5	20%	0.202	12%	0.117	C	C	.	.	H	α-helix	trans	-68.9	-35.5	-177.7	-62.6	0	0	0	0	111.8	I905 I913 F981	I905-T909 VanDerWaalsContact O-CB 3.26Å; I905-T909 WeakPolarHBondContact O-CB 3.24Å; I905-T909 PolarHBondContact O-N 3.41Å; I905-T909 PolarHBondContact O-OG1 2.98Å; T909-I913 HydrophobicContact CG2-CD1 3.66Å; T909-I913 WeakPolarHBondContact O-CB 3.38Å; T909-I913 WeakPolarHBondContact O-CG1 3.48Å; T909-I913 PolarHBondContact O-N 2.66Å; T909-F981 HydrophobicContact CG2-CE1 3.64Å; T909-F981 HydrophobicContact CG2-CZ 3.63Å
910	G	82.5	Confident	84.6	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.1	-57.9	169.9	0	0	0	0	0	111.4	V906 C912 I913 T914 D916	V906-G910 WeakPolarHBondContact O-CA 3.02Å; V906-G910 PolarHBondContact O-N 3.25Å; G910-C912 VanDerWaalsContact C-N 3.26Å; G910-C912 PolarHBondContact O-N 2.91Å; G910-I913 PolarHBondContact O-N 2.94Å; G910-T914 PolarHBondContact O-N 2.71Å; G910-T914 PolarHBondContact O-OG1 3Å; G910-D916 CarbonylContact C-O 3.38Å
911	A	80.7	Confident	84	Confident	3 Å²	3	23.3 Å²	23.3	3%	0.025	13%	0.126	C	C	.	.	H	α-helix	trans	-53.5	-41.4	178	0	0	0	0	0	113.1	T422 L426 I460 A907 F908 I913 Q915 D916	T422-A911 HydrophobicContact CG2-CB 3.67Å; L426-A911 HydrophobicContact CD1-CB 4.15Å; L426-A911 HydrophobicContact CD2-CB 4.12Å; L426-A911 WeakPolarHBondContact CD2-O 3.41Å; L426-A911 HydrophobicContact CG-CB 4.31Å; I460-A911 HydrophobicContact CG2-CB 4.41Å; A907-A911 WeakPolarHBondContact O-CB 3.33Å; A907-A911 PolarHBondContact O-N 3.24Å; F908-A911 PolarHBondContact O-N 2.97Å; A911-I913 VanDerWaalsContact C-N 3.31Å; A911-I913 PolarHBondContact O-N 2.79Å; A911-Q915 WeakPolarHBondContact O-CA 3.18Å; A911-Q915 PolarHBondContact O-N 3.08Å; A911-D916 PolarHBondContact N-O 2.98Å
912	C	82.1	Confident	83.5	Confident	37 Å²	37	21.4 Å²	21.4	25%	0.25	12%	0.115	C	C	.	.	H	α-helix	trans	-68.8	-22.5	179.1	-67.3	0	0	0	0	114.8	F908 G910	F908-C912 WeakPolarHBondContact O-CB 3.5Å; F908-C912 PolarHBondContact O-N 2.84Å; F908-C912 PolarHBondContact O-SG 3.49Å; G910-C912 VanDerWaalsContact C-N 3.26Å; G910-C912 PolarHBondContact O-N 2.91Å
913	I	83.4	Confident	83.2	Confident	89 Å²	89	21.6 Å²	21.6	46%	0.456	12%	0.115	S	C	.	.	H	α-helix	trans	-112.5	-40.5	-172.5	-61.8	172.2	0	0	0	112.3	T909 G910 A911 F985	T909-I913 HydrophobicContact CG2-CD1 3.66Å; T909-I913 WeakPolarHBondContact O-CB 3.38Å; T909-I913 WeakPolarHBondContact O-CG1 3.48Å; T909-I913 PolarHBondContact O-N 2.66Å; G910-I913 PolarHBondContact O-N 2.94Å; A911-I913 VanDerWaalsContact C-N 3.31Å; A911-I913 PolarHBondContact O-N 2.79Å; I913-F985 HydrophobicContact CB-CZ 4.43Å; I913-F985 HydrophobicContact CD1-CZ 3.8Å; I913-F985 HydrophobicContact CG2-CE1 3.72Å; I913-F985 HydrophobicContact CG2-CZ 3.94Å
914	T	75.3	Confident	82.9	Confident	4 Å²	4	21.7 Å²	21.7	3%	0.025	12%	0.116	C	C	.	.	H	α-helix	trans	-106.9	8.8	-176.8	48.6	0	0	0	0	113.8	G910 D916 R997	G910-T914 PolarHBondContact O-N 2.71Å; G910-T914 PolarHBondContact O-OG1 3Å; T914-D916 PolarHBondContact O-N 3.46Å; T914-D916 PolarHBondContact OG1-O 3.3Å; T914-D916 VanDerWaalsContact OG1-O 3.06Å; T914-R997 HydrophobicContact CG2-CB 4.4Å; T914-R997 HydrophobicContact CG2-CG 4.16Å
915	Q	73.9	Confident	82.4	Confident	61 Å²	61	21.3 Å²	21.3	29%	0.285	11%	0.113	S	C	.	.	S	Bend	trans	56.8	7.1	-177.6	-56.2	-177.2	-101.8	0	0	115.8	Y429 A911	Y429-Q915 HydrophobicContact CD1-CG 3.89Å; Y429-Q915 HydrophobicContact CE1-CG 3.69Å; A911-Q915 WeakPolarHBondContact O-CA 3.18Å; A911-Q915 PolarHBondContact O-N 3.08Å
916	D	73.9	Confident	82.3	Confident	20 Å²	20	19.5 Å²	19.5	11%	0.107	10%	0.102	C	C	.	.	S	Bend	trans	-151.9	154.9	-176.5	-157.9	-20.4	0	0	0	108	K456 G910 A911 T914 K920	K456-D916 VanDerWaalsContact CE-OD2 3.28Å; K456-D916 WeakPolarHBondContact CE-OD2 3.33Å; K456-D916 IonicContact NZ-OD2 3.25Å; K456-D916 PolarHBondContact NZ-OD2 3.34Å; G910-D916 CarbonylContact C-O 3.38Å; A911-D916 PolarHBondContact N-O 2.98Å; T914-D916 PolarHBondContact O-N 3.46Å; T914-D916 PolarHBondContact OG1-O 3.3Å; T914-D916 VanDerWaalsContact OG1-O 3.06Å; D916-K920 IonicContact OD1-NZ 3.22Å; D916-K920 PolarHBondContact OD1-NZ 2.92Å; D916-K920 IonicContact OD2-NZ 2.91Å; D916-K920 PolarHBondContact OD2-NZ 3.39Å
917	S	80.1	Confident	82.2	Confident	6 Å²	6	19.7 Å²	19.7	4%	0.042	10%	0.103	C	C	.	.			trans	-80.4	135.7	174.8	175.4	0	0	0	0	109.8	L919	S917-L919 WeakPolarHBondContact CB-O 3.38Å; S917-L919 PolarHBondContact O-N 3.29Å; S917-L919 PolarHBondContact OG-N 3.48Å; S917-L919 PolarHBondContact OG-O 3.49Å
918	P	81.9	Confident	82.1	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.006	11%	0.105	C	C	.	.	S	Bend	trans	-69.1	-11	174.9	30.8	-37.2	0	0	0	113	V906 L984	V906-P918 HydrophobicContact CG1-CG 3.64Å; P918-L984 HydrophobicContact CB-CD1 3.89Å
919	L	84.6	Confident	81.9	Confident	3 Å²	3	18.8 Å²	18.8	2%	0.016	10%	0.1	C	C	.	.	S	Bend	trans	-119.1	125	173.2	-59.4	174.6	0	0	0	108.9	V906 S917 M924 F1013 F1016	V906-L919 HydrophobicContact CG1-CD1 4.39Å; S917-L919 WeakPolarHBondContact CB-O 3.38Å; S917-L919 PolarHBondContact O-N 3.29Å; S917-L919 PolarHBondContact OG-N 3.48Å; S917-L919 PolarHBondContact OG-O 3.49Å; L919-M924 HydrophobicContact CB-CG 3.96Å; L919-M924 HydrophobicContact CB-SD 3.35Å; L919-M924 WeakPolarHBondContact CB-SD 3.2Å; L919-M924 HydrophobicContact CD1-CE 4.32Å; L919-M924 HydrophobicContact CD1-SD 3.48Å; L919-M924 WeakPolarHBondContact CD1-SD 3.39Å; L919-M924 HydrophobicContact CG-SD 4.04Å; L919-F1013 HydrophobicContact CD2-CB 3.94Å; L919-F1013 HydrophobicContact CD2-CD2 4.21Å; L919-F1016 HydrophobicContact CD1-CD1 4.05Å; L919-F1016 HydrophobicContact CD1-CE1 4.2Å; L919-F1016 HydrophobicContact CD1-CG 4.49Å
920	K	81.4	Confident	82	Confident	38 Å²	38	17.5 Å²	17.5	17%	0.165	9%	0.092	C	C	.	.			trans	-82.5	160	-176.3	-64.6	-64.8	179.6	-179.3	0	112.4	D916 V922 Q923 M924	D916-K920 IonicContact OD1-NZ 3.22Å; D916-K920 PolarHBondContact OD1-NZ 2.92Å; D916-K920 IonicContact OD2-NZ 2.91Å; D916-K920 PolarHBondContact OD2-NZ 3.39Å; K920-V922 VanDerWaalsContact C-N 3.34Å; K920-V922 PolarHBondContact O-N 3.26Å; K920-Q923 HydrophobicContact CB-CG 4.46Å; K920-Q923 WeakPolarHBondContact O-CA 3.31Å; K920-Q923 WeakPolarHBondContact O-CB 3.49Å; K920-Q923 PolarHBondContact O-N 2.84Å; K920-M924 WeakPolarHBondContact O-CG 3.38Å; K920-M924 PolarHBondContact O-N 3.36Å
921	A	77	Confident	82.2	Confident	9 Å²	9	17.7 Å²	17.7	7%	0.074	9%	0.093	C	C	.	.	H	α-helix	trans	-52.4	-47.9	-173.5	0	0	0	0	0	113.1	I158 I459 Q923 M924 L925	I158-A921 HydrophobicContact CD1-CB 4.01Å; I158-A921 HydrophobicContact CG1-CB 4.12Å; I459-A921 HydrophobicContact CG2-CB 4.45Å; A921-Q923 PolarHBondContact O-N 3.33Å; A921-M924 PolarHBondContact O-N 3.43Å; A921-L925 WeakPolarHBondContact O-CG 3.4Å; A921-L925 PolarHBondContact O-N 3.44Å
922	V	81.7	Confident	82.3	Confident	9 Å²	9	17.7 Å²	17.7	6%	0.055	9%	0.092	C	C	.	.	H	α-helix	trans	-61.4	-40.6	177.2	178.9	0	0	0	0	112.2	A157 I158 K920 M924 L925 W926 F1068	A157-V922 HydrophobicContact CB-CG2 3.7Å; I158-V922 HydrophobicContact CG1-CG2 4.23Å; K920-V922 VanDerWaalsContact C-N 3.34Å; K920-V922 PolarHBondContact O-N 3.26Å; V922-M924 VanDerWaalsContact C-N 3.33Å; V922-M924 PolarHBondContact O-N 3.14Å; V922-L925 PolarHBondContact O-N 3.1Å; V922-W926 PolarHBondContact O-N 3Å; V922-F1068 HydrophobicContact CG1-CD1 3.71Å; V922-F1068 HydrophobicContact CG1-CE1 3.87Å; V922-F1068 HydrophobicContact CG1-CG 4.37Å
923	Q	87.2	Confident	82.4	Confident	3 Å²	3	16.5 Å²	16.5	1%	0.014	8%	0.084	C	C	.	.	H	α-helix	trans	-66	-37	176.5	-64.4	170.2	-13.7	0	0	111.5	K920 A921 W926 V927 F1013 F1068 S1069	K920-Q923 HydrophobicContact CB-CG 4.46Å; K920-Q923 WeakPolarHBondContact O-CA 3.31Å; K920-Q923 WeakPolarHBondContact O-CB 3.49Å; K920-Q923 PolarHBondContact O-N 2.84Å; A921-Q923 PolarHBondContact O-N 3.33Å; Q923-W926 PolarHBondContact O-N 2.97Å; Q923-V927 WeakPolarHBondContact O-CG2 3.48Å; Q923-V927 PolarHBondContact O-N 3.16Å; Q923-F1013 HydrophobicContact CB-CD2 3.83Å; Q923-F1013 HydrophobicContact CB-CE2 3.73Å; Q923-F1013 HydrophobicContact CB-CZ 4.37Å; Q923-F1013 HydrophobicContact CG-CD2 4.04Å; Q923-F1013 HydrophobicContact CG-CE1 4.49Å; Q923-F1013 HydrophobicContact CG-CE2 4.01Å; Q923-F1013 HydrophobicContact CG-CG 4.29Å; Q923-F1013 HydrophobicContact CG-CZ 4.24Å; Q923-F1068 WeakPolarHBondContact CG-O 3.39Å; Q923-F1068 PolarHBondContact NE2-O 3.48Å; Q923-S1069 PolarHBondContact NE2-O 3.12Å
924	M	83.1	Confident	82.6	Confident	3 Å²	3	14.5 Å²	14.5	2%	0.015	7%	0.072	C	C	.	.	H	α-helix	trans	-70.8	-35	176.5	-64.4	-59.6	-84.9	0	0	112.5	T463 V467 A903 L919 K920 A921 V922 V927 N928	T463-M924 HydrophobicContact CG2-CB 3.67Å; T463-M924 HydrophobicContact CG2-CG 3.73Å; V467-M924 HydrophobicContact CB-CE 4.15Å; V467-M924 HydrophobicContact CG1-CE 3.78Å; V467-M924 HydrophobicContact CG2-CB 3.9Å; V467-M924 HydrophobicContact CG2-CE 3.54Å; V467-M924 HydrophobicContact CG2-CG 4.45Å; A903-M924 HydrophobicContact CB-CE 3.96Å; L919-M924 HydrophobicContact CB-CG 3.96Å; L919-M924 HydrophobicContact CB-SD 3.35Å; L919-M924 WeakPolarHBondContact CB-SD 3.2Å; L919-M924 HydrophobicContact CD1-CE 4.32Å; L919-M924 HydrophobicContact CD1-SD 3.48Å; L919-M924 WeakPolarHBondContact CD1-SD 3.39Å; L919-M924 HydrophobicContact CG-SD 4.04Å; K920-M924 WeakPolarHBondContact O-CG 3.38Å; K920-M924 PolarHBondContact O-N 3.36Å; A921-M924 PolarHBondContact O-N 3.43Å; V922-M924 VanDerWaalsContact C-N 3.33Å; V922-M924 PolarHBondContact O-N 3.14Å; M924-V927 PolarHBondContact O-N 3.41Å; M924-N928 WeakPolarHBondContact O-CB 3.18Å; M924-N928 PolarHBondContact O-N 3.5Å
925	L	81.3	Confident	83.2	Confident	12 Å²	12	14.4 Å²	14.4	6%	0.063	7%	0.072	C	C	.	.	H	α-helix	trans	-65.1	-39	171	-68.3	174	0	0	0	112	L111 V466 A921 V922 N928 L929	L111-L925 HydrophobicContact CD2-CD1 4.2Å; L111-L925 HydrophobicContact CD2-CD2 3.94Å; V466-L925 HydrophobicContact CG1-CD2 4.18Å; A921-L925 WeakPolarHBondContact O-CG 3.4Å; A921-L925 PolarHBondContact O-N 3.44Å; V922-L925 PolarHBondContact O-N 3.1Å; L925-N928 WeakPolarHBondContact O-CB 3.18Å; L925-N928 PolarHBondContact O-N 2.9Å; L925-L929 PolarHBondContact O-N 3.16Å
926	W	88.4	Confident	83.8	Confident	25 Å²	25	11.5 Å²	11.5	10%	0.095	6%	0.058	C	C	.	.	H	α-helix	trans	-63.9	-43.2	172.3	170.9	-116.4	0	0	0	112.3	V922 Q923 N928 L929 I930 F934 F1013 T1053 I1056 I1060	V922-W926 PolarHBondContact O-N 3Å; Q923-W926 PolarHBondContact O-N 2.97Å; W926-N928 PolarHBondContact O-N 2.98Å; W926-L929 HydrophobicContact CE3-CD2 4.18Å; W926-L929 HydrophobicContact CZ3-CD2 4.07Å; W926-L929 PolarHBondContact O-N 3.35Å; W926-I930 HydrophobicContact CD2-CD1 4.12Å; W926-I930 HydrophobicContact CD2-CG1 4.37Å; W926-I930 HydrophobicContact CG-CD1 4.42Å; W926-I930 HydrophobicContact CH2-CG1 4.36Å; W926-I930 HydrophobicContact CZ2-CD1 3.77Å; W926-I930 HydrophobicContact CZ2-CG1 4.07Å; W926-I930 WeakPolarHBondContact O-CG1 2.76Å; W926-I930 PolarHBondContact O-N 3.1Å; W926-I930 VanDerWaalsContact O-N 3.11Å; W926-F934 HydrophobicContact CH2-CE2 4.42Å; W926-F934 HydrophobicContact CZ3-CE2 4.2Å; W926-F1013 AromaticContact CD1-CZ 3.68Å; W926-T1053 HydrophobicContact CH2-CG2 4.47Å; W926-T1053 HydrophobicContact CZ2-CG2 4.06Å; W926-I1056 HydrophobicContact CH2-CB 3.89Å; W926-I1056 HydrophobicContact CH2-CD1 4.29Å; W926-I1056 HydrophobicContact CH2-CG2 3.33Å; W926-I1056 HydrophobicContact CZ2-CB 4.16Å; W926-I1056 HydrophobicContact CZ2-CG2 3.68Å; W926-I1056 HydrophobicContact CZ3-CG2 4.02Å; W926-I1060 HydrophobicContact CD2-CD1 3.73Å; W926-I1060 HydrophobicContact CE3-CD1 4.21Å; W926-I1060 HydrophobicContact CG-CD1 4.13Å; W926-I1060 HydrophobicContact CH2-CD1 4.37Å; W926-I1060 HydrophobicContact CZ2-CD1 3.87Å
927	V	88	Confident	84.3	Confident	5 Å²	5	13.2 Å²	13.2	3%	0.03	7%	0.067	C	C	.	.	H	α-helix	trans	-59.1	-45.5	172.6	165.7	0	0	0	0	111.2	V899 Q923 M924 L929 I930 M931 F1016 V1017	V899-V927 HydrophobicContact CG1-CG1 4.04Å; Q923-V927 WeakPolarHBondContact O-CG2 3.48Å; Q923-V927 PolarHBondContact O-N 3.16Å; M924-V927 PolarHBondContact O-N 3.41Å; V927-L929 VanDerWaalsContact C-N 3.34Å; V927-L929 PolarHBondContact O-N 3.22Å; V927-I930 PolarHBondContact O-N 3.29Å; V927-M931 HydrophobicContact CG1-SD 3.74Å; V927-M931 WeakPolarHBondContact O-CB 3.24Å; V927-M931 WeakPolarHBondContact O-CG 3.46Å; V927-M931 PolarHBondContact O-N 2.94Å; V927-F1016 HydrophobicContact CG1-CE1 3.89Å; V927-F1016 HydrophobicContact CG2-CD1 4.1Å; V927-F1016 HydrophobicContact CG2-CE1 3.94Å; V927-V1017 HydrophobicContact CG2-CG2 4.32Å
928	N	83.4	Confident	84.8	Confident	12 Å²	12	12.9 Å²	12.9	6%	0.064	7%	0.065	C	C	.	.	H	α-helix	trans	-55.9	-46.5	175.8	178.7	-57.4	0	0	0	111.2	V466 M924 L925 W926 I930 M931 D932	V466-N928 PolarHBondContact O-ND2 3.14Å; M924-N928 WeakPolarHBondContact O-CB 3.18Å; M924-N928 PolarHBondContact O-N 3.5Å; L925-N928 WeakPolarHBondContact O-CB 3.18Å; L925-N928 PolarHBondContact O-N 2.9Å; W926-N928 PolarHBondContact O-N 2.98Å; N928-I930 PolarHBondContact O-N 3.49Å; N928-M931 WeakPolarHBondContact O-CG 3.32Å; N928-M931 PolarHBondContact O-N 3.37Å; N928-D932 WeakPolarHBondContact O-CB 3.35Å; N928-D932 PolarHBondContact O-N 3.13Å
929	L	83.9	Confident	85.1	Confident	21 Å²	21	12.9 Å²	12.9	11%	0.11	7%	0.065	C	C	.	.	I	π-helix	trans	-61.2	-41.1	178.3	-168.5	70.8	0	0	0	113	V168 L925 W926 V927 T933 F934	V168-L929 HydrophobicContact CB-CD1 4.27Å; V168-L929 HydrophobicContact CG1-CD1 4.03Å; L925-L929 PolarHBondContact O-N 3.16Å; W926-L929 HydrophobicContact CE3-CD2 4.18Å; W926-L929 HydrophobicContact CZ3-CD2 4.07Å; W926-L929 PolarHBondContact O-N 3.35Å; V927-L929 VanDerWaalsContact C-N 3.34Å; V927-L929 PolarHBondContact O-N 3.22Å; L929-T933 PolarHBondContact O-N 3.49Å; L929-F934 HydrophobicContact CD2-CE2 3.79Å; L929-F934 HydrophobicContact CD2-CZ 3.86Å; L929-F934 HydrophobicContact CG-CD2 4.33Å; L929-F934 HydrophobicContact CG-CE2 3.91Å; L929-F934 HydrophobicContact CG-CZ 4.1Å; L929-F934 PolarHBondContact O-N 2.84Å
930	I	88.3	Confident	85.2	Confident	7 Å²	7	12.8 Å²	12.8	4%	0.036	6%	0.064	C	C	.	.	I	π-helix	trans	-62.5	-54.9	175	-66.4	167.3	0	0	0	110.4	W926 V927 N928 A935 V1017 T1053	W926-I930 HydrophobicContact CD2-CD1 4.12Å; W926-I930 HydrophobicContact CD2-CG1 4.37Å; W926-I930 HydrophobicContact CG-CD1 4.42Å; W926-I930 HydrophobicContact CH2-CG1 4.36Å; W926-I930 HydrophobicContact CZ2-CD1 3.77Å; W926-I930 HydrophobicContact CZ2-CG1 4.07Å; W926-I930 WeakPolarHBondContact O-CG1 2.76Å; W926-I930 PolarHBondContact O-N 3.1Å; W926-I930 VanDerWaalsContact O-N 3.11Å; V927-I930 PolarHBondContact O-N 3.29Å; N928-I930 PolarHBondContact O-N 3.49Å; I930-A935 WeakPolarHBondContact O-CB 3.37Å; I930-A935 PolarHBondContact O-N 2.97Å; I930-V1017 HydrophobicContact CD1-CG1 3.98Å; I930-T1053 HydrophobicContact CD1-CG2 3.59Å; I930-T1053 HydrophobicContact CG1-CG2 3.63Å; I930-T1053 HydrophobicContact CG2-CG2 4.23Å
931	M	87.1	Confident	85.5	Confident	3 Å²	3	11 Å²	11	2%	0.015	6%	0.057	C	C	.	.	I	π-helix	trans	-72.3	-34.9	-168.6	68.2	-165.6	-81.7	0	0	113.1	F895 Q896 V899 N900 V927 N928 A935	F895-M931 HydrophobicContact CE1-CB 4.31Å; Q896-M931 VanDerWaalsContact OE1-CB 3.23Å; Q896-M931 VanDerWaalsContact OE1-CE 3.24Å; Q896-M931 VanDerWaalsContact OE1-CG 3.27Å; Q896-M931 PolarHBondContact OE1-O 2.91Å; V899-M931 HydrophobicContact CB-CB 4.27Å; V899-M931 HydrophobicContact CB-CE 3.63Å; V899-M931 HydrophobicContact CB-SD 4.2Å; V899-M931 HydrophobicContact CG1-CB 4.12Å; V899-M931 HydrophobicContact CG1-CE 3.59Å; V899-M931 HydrophobicContact CG1-CG 4.48Å; V899-M931 HydrophobicContact CG1-SD 3.54Å; V899-M931 VanDerWaalsContact CG1-SD 3.54Å; V899-M931 HydrophobicContact CG2-CB 4.24Å; N900-M931 WeakPolarHBondContact OD1-CE 3.35Å; V927-M931 HydrophobicContact CG1-SD 3.74Å; V927-M931 WeakPolarHBondContact O-CB 3.24Å; V927-M931 WeakPolarHBondContact O-CG 3.46Å; V927-M931 PolarHBondContact O-N 2.94Å; N928-M931 WeakPolarHBondContact O-CG 3.32Å; N928-M931 PolarHBondContact O-N 3.37Å; M931-A935 WeakPolarHBondContact O-CB 3.48Å
932	D	83.4	Confident	85.9	Confident	3 Å²	3	11.3 Å²	11.3	2%	0.016	6%	0.057	C	C	.	.	I	π-helix	trans	-97.9	-64.8	-173.2	-141.5	-4.4	0	0	0	111.4	E471 G472 Q896 N928 S936	E471-D932 PolarHBondContact N-OD2 2.91Å; E471-D932 VanDerWaalsContact N-OD2 3.11Å; G472-D932 WeakPolarHBondContact CA-OD1 3.34Å; G472-D932 PolarHBondContact N-OD1 3.4Å; G472-D932 VanDerWaalsContact N-OD1 3.14Å; G472-D932 PolarHBondContact N-OD2 3.28Å; Q896-D932 PolarHBondContact NE2-OD1 3.42Å; Q896-D932 VanDerWaalsContact NE2-OD1 3.16Å; Q896-D932 PolarHBondContact NE2-OD2 3.1Å; N928-D932 WeakPolarHBondContact O-CB 3.35Å; N928-D932 PolarHBondContact O-N 3.13Å; D932-S936 WeakPolarHBondContact O-CB 3.43Å; D932-S936 PolarHBondContact O-N 3.25Å; D932-S936 VanDerWaalsContact O-N 3.1Å; D932-S936 PolarHBondContact O-OG 3.27Å
933	T	83.2	Confident	86.2	Confident	13 Å²	13	12.9 Å²	12.9	8%	0.08	7%	0.067	C	C	.	.	I	π-helix	trans	-74.8	-48.7	-174.3	-69.1	0	0	0	0	113	V168 L929 S936 L937	V168-T933 HydrophobicContact CG1-CG2 3.9Å; L929-T933 PolarHBondContact O-N 3.49Å; T933-S936 PolarHBondContact O-OG 3.26Å; T933-S936 VanDerWaalsContact O-OG 3.09Å; T933-L937 PolarHBondContact O-N 2.85Å
934	F	87.9	Confident	86.3	Confident	47 Å²	47	14 Å²	14	21%	0.206	8%	0.075	C	C	.	.	I	π-helix	trans	-73	-47.3	-177.1	-67	-28.9	0	0	0	112.1	W926 L929 S936 L937 A938 I1049	W926-F934 HydrophobicContact CH2-CE2 4.42Å; W926-F934 HydrophobicContact CZ3-CE2 4.2Å; L929-F934 HydrophobicContact CD2-CE2 3.79Å; L929-F934 HydrophobicContact CD2-CZ 3.86Å; L929-F934 HydrophobicContact CG-CD2 4.33Å; L929-F934 HydrophobicContact CG-CE2 3.91Å; L929-F934 HydrophobicContact CG-CZ 4.1Å; L929-F934 PolarHBondContact O-N 2.84Å; F934-S936 PolarHBondContact O-N 3.49Å; F934-L937 PolarHBondContact O-N 3.35Å; F934-A938 WeakPolarHBondContact O-CB 3.46Å; F934-A938 PolarHBondContact O-N 3.1Å; F934-I1049 HydrophobicContact CB-CG2 3.84Å
935	A	87.9	Confident	86.5	Confident	1 Å²	1	16.9 Å²	16.9	1%	0.008	9%	0.092	C	C	.	.	H	α-helix	trans	-72.9	-27.3	-179.9	0	0	0	0	0	113.7	F895 I930 M931 A938 L939 E1024	F895-A935 HydrophobicContact CD1-CB 3.43Å; F895-A935 VanDerWaalsContact CD1-CB 3.43Å; F895-A935 HydrophobicContact CE1-CB 3.28Å; F895-A935 HydrophobicContact CZ-CB 4.43Å; I930-A935 WeakPolarHBondContact O-CB 3.37Å; I930-A935 PolarHBondContact O-N 2.97Å; M931-A935 WeakPolarHBondContact O-CB 3.48Å; A935-A938 PolarHBondContact O-N 2.93Å; A935-L939 HydrophobicContact CB-CD1 4.39Å; A935-L939 VanDerWaalsContact O-CB 3.28Å; A935-L939 WeakPolarHBondContact O-CB 3.27Å; A935-L939 WeakPolarHBondContact O-CG 3.1Å; A935-L939 PolarHBondContact O-N 2.99Å; A935-E1024 HydrophobicContact CB-CG 4.38Å
936	S	85.8	Confident	86.9	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.6	-47	167.4	64	0	0	0	0	110.6	D932 T933 F934 A938 A940	D932-S936 WeakPolarHBondContact O-CB 3.43Å; D932-S936 PolarHBondContact O-N 3.25Å; D932-S936 VanDerWaalsContact O-N 3.1Å; D932-S936 PolarHBondContact O-OG 3.27Å; T933-S936 PolarHBondContact O-OG 3.26Å; T933-S936 VanDerWaalsContact O-OG 3.09Å; F934-S936 PolarHBondContact O-N 3.49Å; S936-A938 VanDerWaalsContact C-N 3.35Å; S936-A938 PolarHBondContact O-N 3.5Å; S936-A940 WeakPolarHBondContact O-CA 3.33Å; S936-A940 WeakPolarHBondContact O-CB 3.45Å; S936-A940 PolarHBondContact O-N 3.42Å
937	L	85.5	Confident	86.9	Confident	56 Å²	56	24 Å²	24	29%	0.293	14%	0.137	S	C	.	.	H	α-helix	trans	-63.4	-37.9	176.6	-177.1	60.4	0	0	0	112.9	I479 T933 F934 T941 I1045 I1049	I479-L937 HydrophobicContact CG2-CD1 4.01Å; T933-L937 PolarHBondContact O-N 2.85Å; F934-L937 PolarHBondContact O-N 3.35Å; L937-T941 HydrophobicContact CD1-CG2 4.15Å; L937-T941 WeakPolarHBondContact O-CB 3.39Å; L937-T941 WeakPolarHBondContact O-CG2 3.42Å; L937-T941 PolarHBondContact O-OG1 3.5Å; L937-I1045 HydrophobicContact CD2-CG2 4.47Å; L937-I1045 HydrophobicContact CG-CG2 4.01Å; L937-I1049 HydrophobicContact CB-CD1 4.09Å; L937-I1049 HydrophobicContact CD2-CD1 4.04Å; L937-I1049 HydrophobicContact CG-CD1 3.98Å
938	A	89.3	Confident	87	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-71.5	-48.7	-179.5	0	0	0	0	0	113	F934 A935 S936 T941 E1024 N1043 F1046 I1049	F934-A938 WeakPolarHBondContact O-CB 3.46Å; F934-A938 PolarHBondContact O-N 3.1Å; A935-A938 PolarHBondContact O-N 2.93Å; S936-A938 VanDerWaalsContact C-N 3.35Å; S936-A938 PolarHBondContact O-N 3.5Å; A938-T941 PolarHBondContact O-OG1 3.17Å; A938-E1024 VanDerWaalsContact CB-OE1 3.24Å; A938-E1024 WeakPolarHBondContact CB-OE1 3.38Å; A938-N1043 PolarHBondContact O-ND2 3.22Å; A938-N1043 VanDerWaalsContact O-ND2 3.17Å; A938-F1046 HydrophobicContact CB-CD2 3.83Å; A938-F1046 HydrophobicContact CB-CE2 4.49Å; A938-I1049 HydrophobicContact CB-CB 4.24Å; A938-I1049 HydrophobicContact CB-CD1 3.84Å; A938-I1049 HydrophobicContact CB-CG2 4.1Å
939	L	89.8	Confident	87.4	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-85.5	-28.5	-173.9	-63.7	172.1	0	0	0	113.1	F892 F895 A935 T941 E1024 R1028 F1046	F892-L939 HydrophobicContact CB-CB 4.22Å; F895-L939 HydrophobicContact CB-CD1 3.8Å; F895-L939 HydrophobicContact CD1-CD1 4.22Å; F895-L939 HydrophobicContact CG-CD1 4.17Å; A935-L939 HydrophobicContact CB-CD1 4.39Å; A935-L939 VanDerWaalsContact O-CB 3.28Å; A935-L939 WeakPolarHBondContact O-CB 3.27Å; A935-L939 WeakPolarHBondContact O-CG 3.1Å; A935-L939 PolarHBondContact O-N 2.99Å; L939-T941 VanDerWaalsContact C-N 3.29Å; L939-T941 PolarHBondContact O-N 3.37Å; L939-E1024 HydrophobicContact CD1-CG 4.17Å; L939-E1024 HydrophobicContact CD2-CG 4.4Å; L939-E1024 HydrophobicContact CG-CG 4.35Å; L939-R1028 HydrophobicContact CD2-CG 3.79Å; L939-F1046 HydrophobicContact CD2-CD2 4.22Å; L939-F1046 HydrophobicContact CD2-CE2 3.81Å
940	A	86	Confident	87.7	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.008	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-18	177.2	0	0	0	0	0	114	I479 S480 S936	I479-A940 HydrophobicContact CG2-CB 4.49Å; S480-A940 PolarHBondContact OG-O 3.25Å; S936-A940 WeakPolarHBondContact O-CA 3.33Å; S936-A940 WeakPolarHBondContact O-CB 3.45Å; S936-A940 PolarHBondContact O-N 3.42Å
941	T	87.2	Confident	87.7	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.012	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	11.3	-170.2	56.6	0	0	0	0	114.8	Y483 L937 A938 L939 N1043 I1045	Y483-T941 HydrophobicContact CD1-CG2 4.14Å; Y483-T941 HydrophobicContact CD2-CG2 4.07Å; Y483-T941 HydrophobicContact CE1-CG2 4.44Å; Y483-T941 WeakPolarHBondContact CE1-O 3.34Å; Y483-T941 HydrophobicContact CE2-CG2 4.38Å; Y483-T941 HydrophobicContact CG-CG2 3.93Å; Y483-T941 PolarHBondContact OH-O 2.96Å; L937-T941 HydrophobicContact CD1-CG2 4.15Å; L937-T941 WeakPolarHBondContact O-CB 3.39Å; L937-T941 WeakPolarHBondContact O-CG2 3.42Å; L937-T941 PolarHBondContact O-OG1 3.5Å; A938-T941 PolarHBondContact O-OG1 3.17Å; L939-T941 VanDerWaalsContact C-N 3.29Å; L939-T941 PolarHBondContact O-N 3.37Å; T941-N1043 PolarHBondContact OG1-ND2 3.2Å; T941-I1045 HydrophobicContact CG2-CD1 4.28Å
942	E	85.1	Confident	87.7	Confident	15 Å²	15	42.6 Å²	42.6	7%	0.07	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-63.4	140.2	177.3	-76.4	-138.3	127.7	0	0	112.8	N884 K891 R1028	N884-E942 PolarHBondContact ND2-O 3.22Å; K891-E942 IonicContact NZ-OE2 4Å; K891-E942 PolarHBondContact NZ-OE2 2.98Å; E942-R1028 IonicContact OE1-CZ 3.62Å; E942-R1028 IonicContact OE1-NE 3.68Å; E942-R1028 PolarHBondContact OE1-NE 3.08Å; E942-R1028 IonicContact OE1-NH2 3.34Å; E942-R1028 PolarHBondContact OE1-NH2 3.22Å
943	P	87.4	Confident	87.8	Confident	42 Å²	42	43.7 Å²	43.7	27%	0.273	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-75.9	148.3	174.5	31.5	-34.2	0	0	0	112.1	R1042	P943-R1042 HydrophobicContact CG-CB 4.19Å
944	P	90.6	Very high	87.5	Confident	27 Å²	27	44.4 Å²	44.4	18%	0.175	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-65.8	161.9	178.4	28.1	-36.5	0	0	0	113.2	M880 W881 N884 L948	M880-P944 HydrophobicContact CG-CB 3.85Å; M880-P944 HydrophobicContact SD-CB 3.85Å; M880-P944 HydrophobicContact SD-CG 4.31Å; W881-P944 HydrophobicContact CD2-CG 3.92Å; W881-P944 HydrophobicContact CE3-CG 4.24Å; W881-P944 HydrophobicContact CG-CG 4.44Å; W881-P944 HydrophobicContact CH2-CG 4.11Å; W881-P944 HydrophobicContact CZ2-CG 3.79Å; W881-P944 HydrophobicContact CZ3-CG 4.34Å; N884-P944 HydrophobicContact CB-CB 3.88Å; P944-L948 HydrophobicContact CB-CD1 3.98Å
945	T	88.1	Confident	86.9	Confident	63 Å²	63	42.7 Å²	42.7	39%	0.387	21%	0.214	S	C	.	.			trans	-133.9	153.3	174.2	65.8	0	0	0	0	111.6	A947 L948	T945-A947 PolarHBondContact O-N 2.83Å; T945-A947 VanDerWaalsContact O-N 3.1Å; T945-L948 VanDerWaalsContact O-CB 3.29Å; T945-L948 WeakPolarHBondContact O-CB 3.39Å; T945-L948 VanDerWaalsContact O-CG 3.27Å; T945-L948 WeakPolarHBondContact O-CG 3.47Å; T945-L948 PolarHBondContact O-N 3.05Å; T945-L948 VanDerWaalsContact O-N 3.07Å
946	E	88.8	Confident	86.2	Confident	121 Å²	121	46.9 Å²	46.9	57%	0.565	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-63.2	-16.9	177.7	-63.9	-163.9	155.7	0	0	114	M880 L948 L949	M880-E946 HydrophobicContact CE-CG 4.15Å; E946-L948 PolarHBondContact O-N 2.99Å; E946-L949 PolarHBondContact O-N 3.43Å
947	A	88.7	Confident	85.7	Confident	64 Å²	64	52.8 Å²	52.8	53%	0.529	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-58.1	-30.3	172.8	0	0	0	0	0	111.9	T945 L949 R950	T945-A947 PolarHBondContact O-N 2.83Å; T945-A947 VanDerWaalsContact O-N 3.1Å; A947-L949 PolarHBondContact O-N 3.44Å; A947-R950 PolarHBondContact O-N 3.14Å
948	L	89.8	Confident	85.3	Confident	9 Å²	9	54.4 Å²	54.4	5%	0.047	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-61.1	-24.1	175.4	-59	173.8	0	0	0	113	M880 R883 N884 D887 P944 T945 E946	M880-L948 HydrophobicContact CG-CB 4.37Å; M880-L948 HydrophobicContact CG-CD1 4.2Å; R883-L948 HydrophobicContact CB-CB 4.27Å; R883-L948 WeakPolarHBondContact CD-O 3.35Å; R883-L948 PolarHBondContact NH1-O 3.09Å; N884-L948 HydrophobicContact CB-CD1 3.8Å; D887-L948 VanDerWaalsContact OD2-CD2 3.32Å; D887-L948 WeakPolarHBondContact OD2-CD2 3.26Å; P944-L948 HydrophobicContact CB-CD1 3.98Å; T945-L948 VanDerWaalsContact O-CB 3.29Å; T945-L948 WeakPolarHBondContact O-CB 3.39Å; T945-L948 VanDerWaalsContact O-CG 3.27Å; T945-L948 WeakPolarHBondContact O-CG 3.47Å; T945-L948 PolarHBondContact O-N 3.05Å; T945-L948 VanDerWaalsContact O-N 3.07Å; E946-L948 PolarHBondContact O-N 2.99Å
949	L	91.6	Very high	85	Confident	12 Å²	12	57 Å²	57	6%	0.063	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-89.4	-1.6	177.6	-59.2	-178.3	0	0	0	113.6	A737 V876 V879 M880 E946 A947	A737-L949 VanDerWaalsContact CA-O 3.25Å; A737-L949 WeakPolarHBondContact CA-O 3.35Å; A737-L949 HydrophobicContact CB-CB 4.37Å; A737-L949 HydrophobicContact CB-CD2 4.31Å; A737-L949 WeakPolarHBondContact CB-O 3.45Å; A737-L949 PolarHBondContact N-O 3.39Å; V876-L949 HydrophobicContact CG1-CD1 3.67Å; V879-L949 HydrophobicContact CG1-CD2 3.98Å; M880-L949 HydrophobicContact CB-CD2 4.32Å; M880-L949 HydrophobicContact CE-CD1 3.64Å; M880-L949 HydrophobicContact CE-CG 4.19Å; M880-L949 HydrophobicContact CG-CG 4.38Å; E946-L949 PolarHBondContact O-N 3.43Å; A947-L949 PolarHBondContact O-N 3.44Å
950	R	90.9	Very high	84.6	Confident	195 Å²	195	57.7 Å²	57.7	74%	0.736	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-92.6	-4	178.6	-60	-174.3	-178.4	-167	-0.5	114	A947	A947-R950 PolarHBondContact O-N 3.14Å
951	R	86.8	Confident	84.6	Confident	54 Å²	54	59.8 Å²	59.8	20%	0.204	30%	0.297	C	S	.	.	S	Bend	trans	-115.3	159.9	179.9	66.5	-179.2	-167.8	-142.2	-3.9	111.3	A737 R883 D887 Y954 H1031	A737-R951 VanDerWaalsContact O-O 3.1Å; R883-R951 PolarHBondContact NH1-O 3.41Å; D887-R951 IonicContact OD1-CZ 3.84Å; D887-R951 IonicContact OD1-NH1 2.71Å; D887-R951 IonicContact OD1-NH2 3.66Å; D887-R951 PolarHBondContact OD1-NH2 3.42Å; D887-R951 IonicContact OD2-CZ 2.64Å; D887-R951 IonicContact OD2-NH1 2.67Å; D887-R951 PolarHBondContact OD2-NH1 3.43Å; D887-R951 IonicContact OD2-NH2 3.34Å; D887-R951 PolarHBondContact OD2-NH2 3.4Å; R951-Y954 PolarHBondContact NH1-OH 2.86Å; R951-Y954 PolarHBondContact NH2-OH 3.17Å; R951-H1031 PolarHBondContact NH1-NE2 3.07Å
952	K	87.8	Confident	84.5	Confident	169 Å²	169	61.8 Å²	61.8	74%	0.735	31%	0.311	S	S	*	.			trans	-69.9	158.3	169.8	-67.8	-171.7	178	-172.5	0	111
953	P	85.6	Confident	84.4	Confident	27 Å²	27	63.1 Å²	63.1	18%	0.175	32%	0.322	C	S	.	.			trans	-60.2	161.8	171.7	25	-33.4	0	0	0	112.2	T508	T508-P953 HydrophobicContact CG2-CG 3.92Å
954	Y	76.7	Confident	84.4	Confident	28 Å²	28	62.8 Å²	62.8	11%	0.11	32%	0.319	C	S	.	.			trans	-79.2	-29.9	-174.1	-74.4	-69.7	0	0	0	114.1	N506 Y886 D887 R951 K958 H1031	N506-Y954 PolarHBondContact OD1-N 3.43Å; Y886-Y954 AromaticContact CD1-CD2 3.53Å; Y886-Y954 HydrophobicContact CD1-CD2 3.53Å; Y886-Y954 AromaticContact CD1-CE2 3.27Å; Y886-Y954 HydrophobicContact CD1-CE2 3.27Å; Y886-Y954 HydrophobicContact CD1-CG 4.28Å; Y886-Y954 AromaticContact CD1-CZ 3.86Å; Y886-Y954 HydrophobicContact CE1-CD1 4.23Å; Y886-Y954 AromaticContact CE1-CD2 3.7Å; Y886-Y954 HydrophobicContact CE1-CD2 3.7Å; Y886-Y954 HydrophobicContact CE1-CE1 4.2Å; Y886-Y954 AromaticContact CE1-CE2 3.63Å; Y886-Y954 HydrophobicContact CE1-CE2 3.63Å; Y886-Y954 AromaticContact CE1-CG 3.97Å; Y886-Y954 HydrophobicContact CE1-CG 3.97Å; Y886-Y954 AromaticContact CE1-CZ 3.87Å; Y886-Y954 HydrophobicContact CG-CD2 4.1Å; Y886-Y954 HydrophobicContact CG-CE2 4.12Å; D887-Y954 WeakPolarHBondContact OD1-CE2 3.34Å; D887-Y954 PolarHBondContact OD1-OH 3.4Å; R951-Y954 PolarHBondContact NH1-OH 2.86Å; R951-Y954 PolarHBondContact NH2-OH 3.17Å; Y954-K958 HydrophobicContact CD1-CD 4.17Å; Y954-K958 WeakPolarHBondContact O-CB 3.24Å; Y954-K958 VanDerWaalsContact O-CD 3.22Å; Y954-K958 WeakPolarHBondContact O-CD 3.44Å; Y954-H1031 PolarHBondContact OH-NE2 3.24Å
955	G	75.6	Confident	84.3	Confident	10 Å²	10	61.7 Å²	61.7	10%	0.103	31%	0.312	C	S	.	.			trans	87.2	142.1	-177.1	0	0	0	0	0	113	N506 N957 K958	N506-G955 PolarHBondContact OD1-N 2.82Å; G955-N957 VanDerWaalsContact C-N 3.3Å; G955-N957 PolarHBondContact O-N 3.44Å; G955-K958 PolarHBondContact O-N 3.03Å
956	R	73.8	Confident	84.4	Confident	89 Å²	89	59.6 Å²	59.6	34%	0.336	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-34.5	-172.1	-167.5	172.1	170.8	127.6	-4	113.1	V399 K403	V399-R956 HydrophobicContact CG1-CG 3.93Å; V399-R956 HydrophobicContact CG2-CG 4.38Å; K403-R956 WeakPolarHBondContact CE-O 3.27Å; K403-R956 PolarHBondContact NZ-O 3.27Å
957	N	74.4	Confident	84.4	Confident	125 Å²	125	54.6 Å²	54.6	67%	0.668	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-5	-173.2	-62.3	7	0	0	0	114	G955	G955-N957 VanDerWaalsContact C-N 3.3Å; G955-N957 PolarHBondContact O-N 3.44Å
958	K	78.3	Confident	84.5	Confident	90 Å²	90	51.8 Å²	51.8	39%	0.391	25%	0.252	S	S	.	.	S	Bend	trans	-63.3	135.7	-178.5	-168.1	174.8	-178.5	176.3	0	111.4	K403 Y954 G955	K403-K958 PolarHBondContact NZ-O 2.92Å; Y954-K958 HydrophobicContact CD1-CD 4.17Å; Y954-K958 WeakPolarHBondContact O-CB 3.24Å; Y954-K958 VanDerWaalsContact O-CD 3.22Å; Y954-K958 WeakPolarHBondContact O-CD 3.44Å; G955-K958 PolarHBondContact O-N 3.03Å
959	P	81.9	Confident	84.7	Confident	53 Å²	53	52 Å²	52	34%	0.344	25%	0.252	S	S	.	.			trans	-61.9	144.4	176.8	25.1	-35	0	0	0	111
960	L	81.6	Confident	84.7	Confident	15 Å²	15	54.8 Å²	54.8	8%	0.079	27%	0.267	C	S	.	.	S	Bend	trans	-70	-36.3	-177.9	-175.6	54.4	0	0	0	112.2	L400 L404 Y886 L893	L400-L960 HydrophobicContact CD1-CD1 3.46Å; L400-L960 VanDerWaalsContact CD1-CD1 3.46Å; L400-L960 HydrophobicContact CD1-CD2 3.68Å; L400-L960 HydrophobicContact CD1-CG 4.2Å; L404-L960 HydrophobicContact CD2-CD2 3.69Å; L404-L960 HydrophobicContact CG-CD2 3.85Å; Y886-L960 HydrophobicContact CE2-CD1 3.78Å; L893-L960 HydrophobicContact CD1-CD1 4.19Å; L893-L960 HydrophobicContact CD1-CD2 3.54Å; L893-L960 HydrophobicContact CD1-CG 3.68Å
961	I	85.6	Confident	84.8	Confident	45 Å²	45	46.4 Å²	46.4	23%	0.231	24%	0.241	C	C	.	.	S	Bend	trans	-89.7	110.4	171.8	-56	174.8	0	0	0	108.3	L407 L897 M965 T966	L407-I961 HydrophobicContact CD1-CD1 3.88Å; L897-I961 HydrophobicContact CD1-CD1 3.56Å; L897-I961 HydrophobicContact CD1-CG1 4.23Å; I961-M965 HydrophobicContact CB-SD 4.29Å; I961-M965 HydrophobicContact CG1-CE 4.27Å; I961-M965 HydrophobicContact CG1-SD 4.39Å; I961-M965 HydrophobicContact CG2-CB 4.39Å; I961-M965 HydrophobicContact CG2-CG 4.28Å; I961-M965 HydrophobicContact CG2-SD 4.09Å; I961-T966 WeakPolarHBondContact CG2-OG1 3.43Å
962	S	85.4	Confident	85.2	Confident	44 Å²	44	44.1 Å²	44.1	31%	0.308	23%	0.233	S	C	.	.			trans	-80.9	157.4	175.5	77.2	0	0	0	0	111.9	T964 M965 T966	S962-T964 PolarHBondContact O-N 2.81Å; S962-T964 VanDerWaalsContact O-N 3.16Å; S962-M965 CarbonylContact O-C 3.58Å; S962-M965 WeakPolarHBondContact O-CA 3.22Å; S962-M965 WeakPolarHBondContact O-CB 3.46Å; S962-M965 PolarHBondContact O-N 3.42Å; S962-M965 WeakPolarHBondContact OG-CB 3.26Å; S962-M965 PolarHBondContact OG-N 3.02Å; S962-T966 PolarHBondContact O-N 3.27Å; S962-T966 PolarHBondContact O-OG1 3Å
963	S	83.4	Confident	85.6	Confident	43 Å²	43	36.1 Å²	36.1	30%	0.301	20%	0.199	S	C	.	.	H	α-helix	trans	-59.2	-29.8	177.5	-45.4	0	0	0	0	113.7	K967	S963-K967 PolarHBondContact O-N 3.16Å
964	T	86.7	Confident	86	Confident	36 Å²	36	38.6 Å²	38.6	22%	0.221	21%	0.213	C	C	.	.	H	α-helix	trans	-69.1	-40.4	173.3	-53.2	0	0	0	0	111.1	S962 K967 N968 N1100	S962-T964 PolarHBondContact O-N 2.81Å; S962-T964 VanDerWaalsContact O-N 3.16Å; T964-K967 WeakPolarHBondContact O-CB 3.26Å; T964-K967 PolarHBondContact O-N 3.49Å; T964-N968 VanDerWaalsContact O-CG 3.25Å; T964-N968 PolarHBondContact O-N 3.04Å; T964-N968 PolarHBondContact O-OD1 3.16Å; T964-N1100 PolarHBondContact OG1-ND2 3.07Å
965	M	89.8	Confident	87	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-66.6	-42	175.8	-175.4	-174.9	172.7	0	0	111.3	S890 L893 Q894 I961 S962 K967 N968 I969	S890-M965 WeakPolarHBondContact O-CE 3.39Å; L893-M965 HydrophobicContact CB-CE 3.39Å; Q894-M965 HydrophobicContact CB-CE 4.08Å; Q894-M965 HydrophobicContact CB-CG 4.08Å; Q894-M965 HydrophobicContact CG-CG 4.01Å; I961-M965 HydrophobicContact CB-SD 4.29Å; I961-M965 HydrophobicContact CG1-CE 4.27Å; I961-M965 HydrophobicContact CG1-SD 4.39Å; I961-M965 HydrophobicContact CG2-CB 4.39Å; I961-M965 HydrophobicContact CG2-CG 4.28Å; I961-M965 HydrophobicContact CG2-SD 4.09Å; S962-M965 CarbonylContact O-C 3.58Å; S962-M965 WeakPolarHBondContact O-CA 3.22Å; S962-M965 WeakPolarHBondContact O-CB 3.46Å; S962-M965 PolarHBondContact O-N 3.42Å; S962-M965 WeakPolarHBondContact OG-CB 3.26Å; S962-M965 PolarHBondContact OG-N 3.02Å; M965-K967 VanDerWaalsContact C-N 3.32Å; M965-K967 PolarHBondContact O-N 3.13Å; M965-N968 PolarHBondContact O-N 3.34Å; M965-I969 HydrophobicContact CE-CD1 4.31Å; M965-I969 HydrophobicContact CG-CD1 3.98Å; M965-I969 VanDerWaalsContact O-CG1 3.29Å; M965-I969 WeakPolarHBondContact O-CG1 3.45Å; M965-I969 PolarHBondContact O-N 3.37Å
966	T	88.7	Confident	87.9	Confident	20 Å²	20	38.3 Å²	38.3	12%	0.123	21%	0.209	C	C	.	.	H	α-helix	trans	-59.3	-41.6	171.6	-47.1	0	0	0	0	111.9	I961 S962 L970	I961-T966 WeakPolarHBondContact CG2-OG1 3.43Å; S962-T966 PolarHBondContact O-N 3.27Å; S962-T966 PolarHBondContact O-OG1 3Å; T966-L970 HydrophobicContact CG2-CD1 3.92Å; T966-L970 HydrophobicContact CG2-CG 4.43Å; T966-L970 WeakPolarHBondContact O-CB 3.14Å; T966-L970 WeakPolarHBondContact O-CG 3.38Å; T966-L970 PolarHBondContact O-N 3.34Å
967	K	89.8	Confident	89	Confident	15 Å²	15	35.3 Å²	35.3	7%	0.065	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-45.7	174.1	-179.7	-168.7	63.5	153.2	0	111.2	S963 T964 M965 G971 I1095 I1098 L1103 L1106	S963-K967 PolarHBondContact O-N 3.16Å; T964-K967 WeakPolarHBondContact O-CB 3.26Å; T964-K967 PolarHBondContact O-N 3.49Å; M965-K967 VanDerWaalsContact C-N 3.32Å; M965-K967 PolarHBondContact O-N 3.13Å; K967-G971 WeakPolarHBondContact O-CA 3.36Å; K967-G971 PolarHBondContact O-N 2.66Å; K967-I1095 HydrophobicContact CD-CG2 4.27Å; K967-I1095 HydrophobicContact CG-CG2 4.08Å; K967-I1095 PolarHBondContact NZ-O 3.45Å; K967-I1098 PolarHBondContact NZ-O 2.95Å; K967-L1103 HydrophobicContact CD-CD1 3.83Å; K967-L1103 HydrophobicContact CG-CD1 3.83Å; K967-L1106 HydrophobicContact CB-CD1 4.27Å
968	N	91.3	Very high	90	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.032	19%	0.192	C	C	.	.	H	α-helix	trans	-63.8	-51.7	179.2	-65.8	-5.1	0	0	0	111	Q894 T964 M965 L970 G971 H972	Q894-N968 HydrophobicContact CG-CB 4.28Å; Q894-N968 PolarHBondContact OE1-ND2 3.41Å; T964-N968 VanDerWaalsContact O-CG 3.25Å; T964-N968 PolarHBondContact O-N 3.04Å; T964-N968 PolarHBondContact O-OD1 3.16Å; M965-N968 PolarHBondContact O-N 3.34Å; N968-L970 PolarHBondContact O-N 3.22Å; N968-G971 PolarHBondContact O-N 2.95Å; N968-H972 PolarHBondContact O-CD2 2.95Å; N968-H972 PolarHBondContact O-N 3.49Å
969	I	92.5	Very high	90.8	Very high	12 Å²	12	31.3 Å²	31.3	6%	0.062	18%	0.181	C	C	.	.	H	α-helix	trans	-53.4	-53.2	179	-68.1	162.7	0	0	0	111	Q894 L897 T898 M965 A973	Q894-I969 HydrophobicContact CG-CG1 3.94Å; L897-I969 HydrophobicContact CB-CD1 3.98Å; L897-I969 HydrophobicContact CB-CG1 4.48Å; L897-I969 HydrophobicContact CB-CG2 4.5Å; L897-I969 HydrophobicContact CD1-CD1 4.09Å; T898-I969 WeakPolarHBondContact OG1-CA 3.16Å; M965-I969 HydrophobicContact CE-CD1 4.31Å; M965-I969 HydrophobicContact CG-CD1 3.98Å; M965-I969 VanDerWaalsContact O-CG1 3.29Å; M965-I969 WeakPolarHBondContact O-CG1 3.45Å; M965-I969 PolarHBondContact O-N 3.37Å; I969-A973 WeakPolarHBondContact O-CB 3.36Å; I969-A973 PolarHBondContact O-N 3.49Å
970	L	92.5	Very high	91.3	Very high	72 Å²	72	28.9 Å²	28.9	38%	0.377	17%	0.165	S	C	.	.	H	α-helix	trans	-71.7	-33.6	-178.1	-64.8	176.1	0	0	0	112.7	T966 N968 A973 V974 L1106	T966-L970 HydrophobicContact CG2-CD1 3.92Å; T966-L970 HydrophobicContact CG2-CG 4.43Å; T966-L970 WeakPolarHBondContact O-CB 3.14Å; T966-L970 WeakPolarHBondContact O-CG 3.38Å; T966-L970 PolarHBondContact O-N 3.34Å; N968-L970 PolarHBondContact O-N 3.22Å; L970-A973 PolarHBondContact O-N 3.04Å; L970-V974 WeakPolarHBondContact O-CB 3.48Å; L970-V974 VanDerWaalsContact O-CG2 3.26Å; L970-V974 WeakPolarHBondContact O-CG2 3.16Å; L970-V974 PolarHBondContact O-N 3.5Å; L970-L1106 HydrophobicContact CD1-CD2 3.56Å
971	G	93	Very high	91.9	Very high	18 Å²	18	30.2 Å²	30.2	19%	0.186	17%	0.17	C	C	.	.	H	α-helix	trans	-67	-42.1	178.9	0	0	0	0	0	113	K967 N968 Y975 W1091	K967-G971 WeakPolarHBondContact O-CA 3.36Å; K967-G971 PolarHBondContact O-N 2.66Å; N968-G971 PolarHBondContact O-N 2.95Å; G971-Y975 PolarHBondContact O-N 2.98Å; G971-W1091 PolarHBondContact O-NE1 2.97Å; G971-W1091 VanDerWaalsContact O-NE1 3.09Å
972	H	95.2	Very high	92.2	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.028	18%	0.178	C	C	.	.	H	α-helix	trans	-70.2	-44.5	172.7	-72	-64	0	0	0	110.8	T898 N968 V974 Y975 Q976 N1026 E1088	T898-H972 HydrophobicContact CG2-CB 3.73Å; N968-H972 PolarHBondContact O-CD2 2.95Å; N968-H972 PolarHBondContact O-N 3.49Å; H972-V974 VanDerWaalsContact C-N 3.31Å; H972-V974 PolarHBondContact O-N 3.38Å; H972-Y975 PolarHBondContact O-N 3.11Å; H972-Y975 VanDerWaalsContact O-N 3.1Å; H972-Q976 WeakPolarHBondContact O-CG 3.29Å; H972-Q976 PolarHBondContact O-N 3.01Å; H972-N1026 PolarHBondContact CE1-ND2 3.37Å; H972-E1088 IonicContact CE1-OE1 3.94Å; H972-E1088 IonicContact CG-OE1 2.76Å; H972-E1088 IonicContact ND1-OE1 2.87Å; H972-E1088 PolarHBondContact ND1-OE1 3.3Å
973	A	95.6	Very high	92.5	Very high	2 Å²	2	29.4 Å²	29.4	2%	0.017	17%	0.165	C	C	.	.	H	α-helix	trans	-58.3	-40.6	178	0	0	0	0	0	113.1	V901 V902 I969 L970 Q976 L977	V901-A973 HydrophobicContact CG1-CB 4.04Å; V902-A973 VanDerWaalsContact CG2-CA 3.45Å; V902-A973 HydrophobicContact CG2-CB 3.57Å; I969-A973 WeakPolarHBondContact O-CB 3.36Å; I969-A973 PolarHBondContact O-N 3.49Å; L970-A973 PolarHBondContact O-N 3.04Å; A973-Q976 PolarHBondContact O-N 3.08Å; A973-L977 VanDerWaalsContact O-CB 3.29Å; A973-L977 WeakPolarHBondContact O-CB 3.39Å; A973-L977 WeakPolarHBondContact O-CD1 3.22Å; A973-L977 WeakPolarHBondContact O-CG 3.28Å; A973-L977 PolarHBondContact O-N 3.36Å
974	V	95.3	Very high	92.8	Very high	78 Å²	78	27.4 Å²	27.4	47%	0.473	15%	0.151	S	C	.	.	H	α-helix	trans	-62.2	-42.5	175.7	165.8	0	0	0	0	112	L970 H972 I978	L970-V974 WeakPolarHBondContact O-CB 3.48Å; L970-V974 VanDerWaalsContact O-CG2 3.26Å; L970-V974 WeakPolarHBondContact O-CG2 3.16Å; L970-V974 PolarHBondContact O-N 3.5Å; H972-V974 VanDerWaalsContact C-N 3.31Å; H972-V974 PolarHBondContact O-N 3.38Å; V974-I978 HydrophobicContact CG1-CD1 3.71Å; V974-I978 WeakPolarHBondContact O-CB 3.29Å; V974-I978 WeakPolarHBondContact O-CD1 3.03Å; V974-I978 WeakPolarHBondContact O-CG1 3.2Å; V974-I978 PolarHBondContact O-N 2.84Å
975	Y	95.9	Very high	92.9	Very high	33 Å²	33	29.2 Å²	29.2	13%	0.129	16%	0.156	C	C	.	.	H	α-helix	trans	-63.5	-49.4	177.5	173.3	-96.9	0	0	0	111.8	G971 H972 L977 I978 L979 M1019 L1084 G1087 E1088 W1091	G971-Y975 PolarHBondContact O-N 2.98Å; H972-Y975 PolarHBondContact O-N 3.11Å; H972-Y975 VanDerWaalsContact O-N 3.1Å; Y975-L977 PolarHBondContact O-N 3.05Å; Y975-I978 PolarHBondContact O-N 3.2Å; Y975-L979 HydrophobicContact CD1-CD1 4.27Å; Y975-L979 HydrophobicContact CE1-CD1 3.57Å; Y975-L979 HydrophobicContact CE2-CD1 3.97Å; Y975-L979 HydrophobicContact CE2-CG 4.47Å; Y975-L979 PolarHBondContact O-N 2.99Å; Y975-L979 WeakPolarHBondContact OH-CD1 3.35Å; Y975-M1019 HydrophobicContact CD1-SD 4.48Å; Y975-M1019 HydrophobicContact CE1-SD 4.11Å; Y975-L1084 PolarHBondContact OH-O 2.98Å; Y975-G1087 VanDerWaalsContact OH-C 3.25Å; Y975-G1087 VanDerWaalsContact OH-CA 3.27Å; Y975-G1087 WeakPolarHBondContact OH-CA 3.4Å; Y975-E1088 WeakPolarHBondContact CD1-OE2 3.24Å; Y975-E1088 HydrophobicContact CE1-CB 4.13Å; Y975-W1091 VanDerWaalsContact CB-CD1 3.43Å; Y975-W1091 HydrophobicContact CD2-CB 4.02Å; Y975-W1091 AromaticContact CD2-CD1 4Å; Y975-W1091 AromaticContact CD2-CD2 3.83Å; Y975-W1091 HydrophobicContact CD2-CD2 3.83Å; Y975-W1091 HydrophobicContact CD2-CE3 4.28Å; Y975-W1091 AromaticContact CD2-CG 3.68Å; Y975-W1091 HydrophobicContact CD2-CG 3.68Å; Y975-W1091 HydrophobicContact CE2-CB 4.21Å; Y975-W1091 HydrophobicContact CE2-CG 4.33Å; Y975-W1091 HydrophobicContact CG-CB 4.27Å; Y975-W1091 AromaticContact CG-CD1 3.77Å; Y975-W1091 HydrophobicContact CG-CD2 4.38Å; Y975-W1091 AromaticContact CG-CG 3.89Å; Y975-W1091 HydrophobicContact CG-CG 3.89Å
976	Q	95.9	Very high	92.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-42.4	178.9	-64.4	-174.5	-3.7	0	0	111.8	V902 H972 A973 L979 I980 M1019 E1088	V902-Q976 HydrophobicContact CG1-CB 3.92Å; V902-Q976 HydrophobicContact CG2-CB 4.02Å; H972-Q976 WeakPolarHBondContact O-CG 3.29Å; H972-Q976 PolarHBondContact O-N 3.01Å; A973-Q976 PolarHBondContact O-N 3.08Å; Q976-L979 PolarHBondContact O-N 3.43Å; Q976-I980 WeakPolarHBondContact O-CB 3.2Å; Q976-I980 VanDerWaalsContact O-CG1 3.24Å; Q976-I980 WeakPolarHBondContact O-CG1 3.4Å; Q976-I980 PolarHBondContact O-N 3.3Å; Q976-M1019 HydrophobicContact CB-CE 4.25Å; Q976-M1019 HydrophobicContact CB-SD 4.42Å; Q976-M1019 HydrophobicContact CG-CB 4.38Å; Q976-M1019 HydrophobicContact CG-CE 4.26Å; Q976-M1019 HydrophobicContact CG-SD 4.03Å; Q976-E1088 WeakPolarHBondContact CG-OE2 3.34Å; Q976-E1088 PolarHBondContact NE2-OE2 2.92Å
977	L	95.6	Very high	92.8	Very high	25 Å²	25	29.8 Å²	29.8	13%	0.131	16%	0.163	C	C	.	.	H	α-helix	trans	-63.9	-42.8	176.8	-72.8	170	0	0	0	112.5	V902 I905 V906 A973 Y975 L979 F981	V902-L977 HydrophobicContact CG1-CD2 4.02Å; V902-L977 HydrophobicContact CG1-CG 4.25Å; V902-L977 HydrophobicContact CG2-CG 4.4Å; I905-L977 HydrophobicContact CB-CD1 4.47Å; I905-L977 HydrophobicContact CB-CD2 3.92Å; I905-L977 HydrophobicContact CD1-CD1 3.99Å; I905-L977 HydrophobicContact CG2-CD1 4.07Å; I905-L977 HydrophobicContact CG2-CD2 3.54Å; I905-L977 HydrophobicContact CG2-CG 4.48Å; V906-L977 HydrophobicContact CG2-CD2 3.79Å; A973-L977 VanDerWaalsContact O-CB 3.29Å; A973-L977 WeakPolarHBondContact O-CB 3.39Å; A973-L977 WeakPolarHBondContact O-CD1 3.22Å; A973-L977 WeakPolarHBondContact O-CG 3.28Å; A973-L977 PolarHBondContact O-N 3.36Å; Y975-L977 PolarHBondContact O-N 3.05Å; L977-L979 PolarHBondContact O-N 2.86Å; L977-F981 HydrophobicContact CB-CD2 4.34Å; L977-F981 HydrophobicContact CB-CE2 4.19Å; L977-F981 HydrophobicContact CD2-CE2 3.86Å; L977-F981 HydrophobicContact CD2-CZ 4.04Å; L977-F981 WeakPolarHBondContact O-CB 3.31Å; L977-F981 WeakPolarHBondContact O-CD2 3.43Å; L977-F981 WeakPolarHBondContact O-CG 3.44Å; L977-F981 PolarHBondContact O-N 3.44Å
978	I	95.4	Very high	92.6	Very high	100 Å²	100	30.5 Å²	30.5	51%	0.513	17%	0.167	S	C	.	.	H	α-helix	trans	-60.3	-46.5	176.3	-72.1	166	0	0	0	110.3	V974 Y975 T982	V974-I978 HydrophobicContact CG1-CD1 3.71Å; V974-I978 WeakPolarHBondContact O-CB 3.29Å; V974-I978 WeakPolarHBondContact O-CD1 3.03Å; V974-I978 WeakPolarHBondContact O-CG1 3.2Å; V974-I978 PolarHBondContact O-N 2.84Å; Y975-I978 PolarHBondContact O-N 3.2Å; I978-T982 VanDerWaalsContact O-CB 3.27Å; I978-T982 WeakPolarHBondContact O-CB 3.34Å; I978-T982 PolarHBondContact O-N 2.9Å; I978-T982 PolarHBondContact O-OG1 3.46Å
979	L	95	Very high	92.5	Very high	31 Å²	31	38.2 Å²	38.2	16%	0.162	20%	0.2	C	C	.	.	H	α-helix	trans	-67.8	-47.5	179.2	-71.1	-173.2	0	0	0	112.7	Y975 Q976 L977 F981 T982 L983 M1019 L1084	Y975-L979 HydrophobicContact CD1-CD1 4.27Å; Y975-L979 HydrophobicContact CE1-CD1 3.57Å; Y975-L979 HydrophobicContact CE2-CD1 3.97Å; Y975-L979 HydrophobicContact CE2-CG 4.47Å; Y975-L979 PolarHBondContact O-N 2.99Å; Y975-L979 WeakPolarHBondContact OH-CD1 3.35Å; Q976-L979 PolarHBondContact O-N 3.43Å; L977-L979 PolarHBondContact O-N 2.86Å; L979-F981 PolarHBondContact O-N 2.94Å; L979-T982 PolarHBondContact O-N 2.9Å; L979-L983 WeakPolarHBondContact O-CB 3.33Å; L979-L983 WeakPolarHBondContact O-CG 3.22Å; L979-L983 PolarHBondContact O-N 3.45Å; L979-M1019 HydrophobicContact CB-SD 4.3Å; L979-M1019 HydrophobicContact CD1-SD 3.79Å; L979-L1084 HydrophobicContact CD1-CB 4.26Å; L979-L1084 HydrophobicContact CD1-CD2 4.18Å; L979-L1084 HydrophobicContact CD2-CD2 4.18Å
980	I	93.5	Very high	92.3	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-62.7	-42	180	-66.3	-65.3	0	0	0	111.3	V906 Q976 L983 L984 I1012 F1016 M1019	V906-I980 HydrophobicContact CB-CG2 4.45Å; V906-I980 HydrophobicContact CG1-CG2 3.84Å; V906-I980 HydrophobicContact CG2-CB 4.22Å; V906-I980 HydrophobicContact CG2-CG2 3.66Å; Q976-I980 WeakPolarHBondContact O-CB 3.2Å; Q976-I980 VanDerWaalsContact O-CG1 3.24Å; Q976-I980 WeakPolarHBondContact O-CG1 3.4Å; Q976-I980 PolarHBondContact O-N 3.3Å; I980-L983 PolarHBondContact O-N 2.82Å; I980-L984 VanDerWaalsContact O-CB 3.26Å; I980-L984 WeakPolarHBondContact O-CB 3.35Å; I980-L984 PolarHBondContact O-N 3.22Å; I980-I1012 HydrophobicContact CD1-CG2 3.98Å; I980-I1012 HydrophobicContact CG2-CG2 4.11Å; I980-F1016 HydrophobicContact CD1-CB 3.87Å; I980-F1016 HydrophobicContact CD1-CD2 4.13Å; I980-F1016 HydrophobicContact CD1-CG 4.45Å; I980-F1016 HydrophobicContact CG1-CD2 4.25Å; I980-M1019 HydrophobicContact CD1-CE 3.73Å; I980-M1019 HydrophobicContact CG1-CE 3.84Å
981	F	93.4	Very high	92	Very high	44 Å²	44	40.6 Å²	40.6	19%	0.193	21%	0.211	C	C	.	.	H	α-helix	trans	-71.2	-33.1	175.8	-65.8	-41	0	0	0	113	I905 T909 L977 L979 L984 F985	I905-F981 HydrophobicContact CG2-CE2 4.45Å; I905-F981 HydrophobicContact CG2-CZ 4.11Å; T909-F981 HydrophobicContact CG2-CE1 3.64Å; T909-F981 HydrophobicContact CG2-CZ 3.63Å; L977-F981 HydrophobicContact CB-CD2 4.34Å; L977-F981 HydrophobicContact CB-CE2 4.19Å; L977-F981 HydrophobicContact CD2-CE2 3.86Å; L977-F981 HydrophobicContact CD2-CZ 4.04Å; L977-F981 WeakPolarHBondContact O-CB 3.31Å; L977-F981 WeakPolarHBondContact O-CD2 3.43Å; L977-F981 WeakPolarHBondContact O-CG 3.44Å; L977-F981 PolarHBondContact O-N 3.44Å; L979-F981 PolarHBondContact O-N 2.94Å; F981-L984 HydrophobicContact CD1-CD2 4.28Å; F981-L984 PolarHBondContact O-N 2.81Å; F981-F985 HydrophobicContact CB-CD2 4.23Å; F981-F985 HydrophobicContact CB-CE2 4.26Å; F981-F985 HydrophobicContact CD1-CE2 4.21Å; F981-F985 HydrophobicContact CG-CE2 4.48Å; F981-F985 WeakPolarHBondContact O-CD2 3.44Å; F981-F985 PolarHBondContact O-N 3.28Å
982	T	93.3	Very high	91.6	Very high	63 Å²	63	47.3 Å²	47.3	39%	0.387	24%	0.242	S	C	.	.	H	α-helix	trans	-63.3	-45.3	172.5	-59	0	0	0	0	110.7	I978 L979 A986 G987 I990	I978-T982 VanDerWaalsContact O-CB 3.27Å; I978-T982 WeakPolarHBondContact O-CB 3.34Å; I978-T982 PolarHBondContact O-N 2.9Å; I978-T982 PolarHBondContact O-OG1 3.46Å; L979-T982 PolarHBondContact O-N 2.9Å; T982-A986 WeakPolarHBondContact O-CA 3.34Å; T982-A986 WeakPolarHBondContact O-CB 3.43Å; T982-A986 PolarHBondContact O-N 2.56Å; T982-G987 PolarHBondContact O-N 3.2Å; T982-I990 HydrophobicContact CG2-CD1 4.22Å
983	L	91.7	Very high	91.2	Very high	9 Å²	9	48 Å²	48	5%	0.047	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-45.3	174.2	-67.1	173.6	0	0	0	111	L979 I980 F985 G987 F991 I1011 I1012 T1015 L1084	L979-L983 WeakPolarHBondContact O-CB 3.33Å; L979-L983 WeakPolarHBondContact O-CG 3.22Å; L979-L983 PolarHBondContact O-N 3.45Å; I980-L983 PolarHBondContact O-N 2.82Å; L983-F985 PolarHBondContact O-N 3.46Å; L983-G987 WeakPolarHBondContact O-CA 3.4Å; L983-G987 PolarHBondContact O-N 2.96Å; L983-F991 HydrophobicContact CD2-CE2 3.71Å; L983-I1011 HydrophobicContact CD2-CG2 4.48Å; L983-I1012 HydrophobicContact CB-CG1 3.96Å; L983-T1015 HydrophobicContact CD1-CG2 3.9Å; L983-L1084 HydrophobicContact CD1-CD1 4.23Å; L983-L1084 HydrophobicContact CD2-CD1 4.42Å
984	L	89.1	Confident	90.6	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.8	-41.4	-179.6	-175.6	61	0	0	0	113.8	P918 I980 F981 R997 H1008 Y1009 I1012	P918-L984 HydrophobicContact CB-CD1 3.89Å; I980-L984 VanDerWaalsContact O-CB 3.26Å; I980-L984 WeakPolarHBondContact O-CB 3.35Å; I980-L984 PolarHBondContact O-N 3.22Å; F981-L984 HydrophobicContact CD1-CD2 4.28Å; F981-L984 PolarHBondContact O-N 2.81Å; L984-R997 WeakPolarHBondContact O-CD 3.2Å; L984-H1008 PolarHBondContact O-NE2 2.9Å; L984-Y1009 HydrophobicContact CD1-CE1 3.95Å; L984-I1012 HydrophobicContact CB-CD1 4.12Å; L984-I1012 HydrophobicContact CD1-CD1 3.86Å
985	F	89.3	Confident	90	Very high	75 Å²	75	53.7 Å²	53.7	33%	0.329	28%	0.278	S	S	.	.	H	α-helix	trans	-99.1	-22.7	-173.9	-65	-58	0	0	0	115.1	I913 F981 L983	I913-F985 HydrophobicContact CB-CZ 4.43Å; I913-F985 HydrophobicContact CD1-CZ 3.8Å; I913-F985 HydrophobicContact CG2-CE1 3.72Å; I913-F985 HydrophobicContact CG2-CZ 3.94Å; F981-F985 HydrophobicContact CB-CD2 4.23Å; F981-F985 HydrophobicContact CB-CE2 4.26Å; F981-F985 HydrophobicContact CD1-CE2 4.21Å; F981-F985 HydrophobicContact CG-CE2 4.48Å; F981-F985 WeakPolarHBondContact O-CD2 3.44Å; F981-F985 PolarHBondContact O-N 3.28Å; L983-F985 PolarHBondContact O-N 3.46Å
986	A	89.7	Confident	89.1	Confident	35 Å²	35	52.4 Å²	52.4	29%	0.289	27%	0.274	S	S	.	.	H	α-helix	trans	-127.2	-7.9	-177.4	0	0	0	0	0	114.2	T982 E988 K989 I990	T982-A986 WeakPolarHBondContact O-CA 3.34Å; T982-A986 WeakPolarHBondContact O-CB 3.43Å; T982-A986 PolarHBondContact O-N 2.56Å; A986-E988 VanDerWaalsContact C-N 3.31Å; A986-E988 PolarHBondContact O-N 3.45Å; A986-K989 PolarHBondContact O-N 3.21Å; A986-I990 HydrophobicContact CB-CD1 3.92Å; A986-I990 HydrophobicContact CB-CG1 4.5Å; A986-I990 WeakPolarHBondContact O-CG1 3.39Å; A986-I990 PolarHBondContact O-N 2.72Å
987	G	86.8	Confident	88.3	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-56.1	-41.3	-177.5	0	0	0	0	0	113.6	T982 L983 K989 I990 F991	T982-G987 PolarHBondContact O-N 3.2Å; L983-G987 WeakPolarHBondContact O-CA 3.4Å; L983-G987 PolarHBondContact O-N 2.96Å; G987-K989 PolarHBondContact O-N 3.28Å; G987-I990 PolarHBondContact O-N 2.96Å; G987-I990 VanDerWaalsContact O-N 3.11Å; G987-F991 PolarHBondContact O-N 3.07Å
988	E	85.8	Confident	87	Confident	29 Å²	29	60.2 Å²	60.2	14%	0.136	31%	0.31	C	S	.	.	H	α-helix	trans	-49.4	-41.1	172.9	73.7	-164.2	-157.9	0	0	112.7	A986 D992 I993 S995 R997 H1008	A986-E988 VanDerWaalsContact C-N 3.31Å; A986-E988 PolarHBondContact O-N 3.45Å; E988-D992 WeakPolarHBondContact O-CA 3.32Å; E988-D992 PolarHBondContact O-N 2.97Å; E988-I993 PolarHBondContact O-N 3.29Å; E988-I993 VanDerWaalsContact O-N 3.08Å; E988-S995 VanDerWaalsContact OE2-CB 3.24Å; E988-S995 WeakPolarHBondContact OE2-CB 3.47Å; E988-S995 PolarHBondContact OE2-OG 3.36Å; E988-R997 IonicContact OE1-CZ 2.72Å; E988-R997 IonicContact OE1-NH2 3Å; E988-R997 PolarHBondContact OE1-NH2 3.14Å; E988-R997 IonicContact OE2-CZ 2.71Å; E988-R997 IonicContact OE2-NE 3.39Å; E988-R997 PolarHBondContact OE2-NE 2.57Å; E988-R997 VanDerWaalsContact OE2-NE 3.07Å; E988-R997 IonicContact OE2-NH2 2.73Å; E988-R997 PolarHBondContact OE2-NH2 3.47Å; E988-H1008 IonicContact OE2-NE2 2.59Å
989	K	87.6	Confident	85.8	Confident	168 Å²	168	57.3 Å²	57.3	73%	0.73	30%	0.301	S	S	*	.	H	α-helix	trans	-88	-22.9	-178.6	-57	-174.9	-178	175.3	0	113.5	A986 G987	A986-K989 PolarHBondContact O-N 3.21Å; G987-K989 PolarHBondContact O-N 3.28Å
990	I	88.8	Confident	84.3	Confident	99 Å²	99	58.4 Å²	58.4	51%	0.508	31%	0.31	S	S	.	.	H	α-helix	trans	-79.5	-36.4	179.9	-69	165.6	0	0	0	110.5	T982 A986 G987	T982-I990 HydrophobicContact CG2-CD1 4.22Å; A986-I990 HydrophobicContact CB-CD1 3.92Å; A986-I990 HydrophobicContact CB-CG1 4.5Å; A986-I990 WeakPolarHBondContact O-CG1 3.39Å; A986-I990 PolarHBondContact O-N 2.72Å; G987-I990 PolarHBondContact O-N 2.96Å; G987-I990 VanDerWaalsContact O-N 3.11Å
991	F	86.5	Confident	82.5	Confident	36 Å²	36	59.9 Å²	59.9	16%	0.158	32%	0.318	C	S	.	.	H	α-helix	trans	-105.8	-0.2	-176.7	-67.6	-72.8	0	0	0	114.6	L983 G987 I993 I1011 W1080	L983-F991 HydrophobicContact CD2-CE2 3.71Å; G987-F991 PolarHBondContact O-N 3.07Å; F991-I993 HydrophobicContact CB-CD1 3.99Å; F991-I993 HydrophobicContact CB-CG1 4.15Å; F991-I993 HydrophobicContact CB-CG2 4.25Å; F991-I1011 HydrophobicContact CB-CD1 4.45Å; F991-I1011 HydrophobicContact CD2-CD1 4.23Å; F991-I1011 HydrophobicContact CE2-CG2 4.33Å; F991-I1011 HydrophobicContact CG-CD1 4.21Å; F991-W1080 HydrophobicContact CE1-CB 3.87Å; F991-W1080 AromaticContact CE1-CD1 3.72Å; F991-W1080 HydrophobicContact CE1-CD2 4.4Å; F991-W1080 AromaticContact CE1-CG 3.73Å; F991-W1080 HydrophobicContact CE1-CG 3.73Å; F991-W1080 HydrophobicContact CZ-CB 4.05Å; F991-W1080 HydrophobicContact CZ-CG 4.22Å
992	D	84.9	Confident	80.9	Confident	158 Å²	158	61 Å²	61	85%	0.845	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	58.8	-176.5	-156.2	35.1	0	0	0	111.8	E988	E988-D992 WeakPolarHBondContact O-CA 3.32Å; E988-D992 PolarHBondContact O-N 2.97Å
993	I	86.6	Confident	79.5	Confident	21 Å²	21	60 Å²	60	11%	0.108	32%	0.319	C	S	.	.			trans	-133.1	152.9	-176.1	59.9	-177.9	0	0	0	111.8	E988 F991 E1007 H1008 I1011 K1077	E988-I993 PolarHBondContact O-N 3.29Å; E988-I993 VanDerWaalsContact O-N 3.08Å; F991-I993 HydrophobicContact CB-CD1 3.99Å; F991-I993 HydrophobicContact CB-CG1 4.15Å; F991-I993 HydrophobicContact CB-CG2 4.25Å; I993-E1007 WeakPolarHBondContact CG2-OE2 3.46Å; I993-H1008 HydrophobicContact CD1-CB 3.91Å; I993-H1008 HydrophobicContact CG1-CB 4.45Å; I993-I1011 HydrophobicContact CD1-CD1 3.62Å; I993-K1077 VanDerWaalsContact CG2-NZ 3.28Å
994	D	83.5	Confident	78.4	Confident	148 Å²	148	64.2 Å²	64.2	79%	0.791	35%	0.347	S	S	*	.			trans	-60.7	139.8	177.3	-64.9	-49.2	0	0	0	112.4	G996	D994-G996 PolarHBondContact O-N 3.1Å
995	S	82	Confident	77.9	Confident	52 Å²	52	65.8 Å²	65.8	36%	0.364	36%	0.357	S	S	.	.			trans	-73.9	117.2	-178.1	-162.1	0	0	0	0	111.5	E988 R997 H1008	E988-S995 VanDerWaalsContact OE2-CB 3.24Å; E988-S995 WeakPolarHBondContact OE2-CB 3.47Å; E988-S995 PolarHBondContact OE2-OG 3.36Å; S995-R997 PolarHBondContact O-N 2.84Å; S995-R997 PolarHBondContact OG-N 2.93Å; S995-R997 PolarHBondContact OG-NE 3.39Å; S995-H1008 VanDerWaalsContact C-CE1 3.47Å
996	G	75.9	Confident	77.7	Confident	5 Å²	5	63.5 Å²	63.5	5%	0.052	35%	0.351	C	S	.	.			trans	-69.3	0	167.8	0	0	0	0	0	115.3	D994 S1006 H1008 Y1009	D994-G996 PolarHBondContact O-N 3.1Å; G996-S1006 WeakPolarHBondContact CA-OG 3.39Å; G996-H1008 WeakPolarHBondContact CA-CE1 3.4Å; G996-H1008 PolarHBondContact N-CE1 3.5Å; G996-H1008 PolarHBondContact N-ND1 3Å; G996-Y1009 WeakPolarHBondContact O-CE2 3.27Å; G996-Y1009 PolarHBondContact O-OH 3.29Å; G996-Y1009 VanDerWaalsContact O-OH 3.12Å
997	R	79.2	Confident	77.6	Confident	76 Å²	76	63.5 Å²	63.5	29%	0.287	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	142.1	-175	-63.6	-173.1	-71.2	152.7	-2.2	111.6	T914 L984 E988 S995 A999 Y1009	T914-R997 HydrophobicContact CG2-CB 4.4Å; T914-R997 HydrophobicContact CG2-CG 4.16Å; L984-R997 WeakPolarHBondContact O-CD 3.2Å; E988-R997 IonicContact OE1-CZ 2.72Å; E988-R997 IonicContact OE1-NH2 3Å; E988-R997 PolarHBondContact OE1-NH2 3.14Å; E988-R997 IonicContact OE2-CZ 2.71Å; E988-R997 IonicContact OE2-NE 3.39Å; E988-R997 PolarHBondContact OE2-NE 2.57Å; E988-R997 VanDerWaalsContact OE2-NE 3.07Å; E988-R997 IonicContact OE2-NH2 2.73Å; E988-R997 PolarHBondContact OE2-NH2 3.47Å; S995-R997 PolarHBondContact O-N 2.84Å; S995-R997 PolarHBondContact OG-N 2.93Å; S995-R997 PolarHBondContact OG-NE 3.39Å; R997-A999 PolarHBondContact O-N 3.45Å; R997-Y1009 HydrophobicContact CG-CE1 4.47Å
998	N	69.3	Low	77.7	Confident	114 Å²	114	63.6 Å²	63.6	61%	0.61	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	24.6	-179.8	-50.4	-17.1	0	0	0	114.4
999	A	69.3	Low	77.9	Confident	39 Å²	39	63.3 Å²	63.3	32%	0.322	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-63.1	140.9	178.9	0	0	0	0	0	111.4	R997 S1003	R997-A999 PolarHBondContact O-N 3.45Å; A999-S1003 WeakPolarHBondContact CB-OG 3.45Å
1000	P	64	Low	78.1	Confident	53 Å²	53	55.3 Å²	55.3	34%	0.344	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-66.2	165.7	-176.8	26.7	-34.1	0	0	0	112.7	H1002 S1003	P1000-H1002 PolarHBondContact O-N 3.15Å; P1000-S1003 VanDerWaalsContact O-CB 3.28Å; P1000-S1003 WeakPolarHBondContact O-CB 3.32Å; P1000-S1003 PolarHBondContact O-N 2.87Å; P1000-S1003 VanDerWaalsContact O-N 3.13Å; P1000-S1003 PolarHBondContact O-OG 3.44Å; P1000-S1003 VanDerWaalsContact O-OG 3.13Å
1001	L	56.9	Low	78.3	Confident	34 Å²	34	50.8 Å²	50.8	18%	0.178	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	130.6	173.7	-166.6	65.5	0	0	0	109.9	Q452 Y453 K456	Q452-L1001 HydrophobicContact CB-CD2 4.4Å; Q452-L1001 HydrophobicContact CG-CD2 3.94Å; Y453-L1001 HydrophobicContact CE1-CB 4.44Å; Y453-L1001 HydrophobicContact CE2-CD2 4.32Å; K456-L1001 HydrophobicContact CD-CD1 3.68Å
1002	H	59	Low	78.6	Confident	67 Å²	67	49.1 Å²	49.1	31%	0.31	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	10.8	-173.7	-51.9	-57.9	0	0	0	117.7	Q452 P1000	Q452-H1002 PolarHBondContact NE2-NE2 2.69Å; P1000-H1002 PolarHBondContact O-N 3.15Å
1003	S	64.8	Low	79	Confident	43 Å²	43	41.6 Å²	41.6	30%	0.301	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-54	145.4	173.1	62	0	0	0	0	113.6	A999 P1000	A999-S1003 WeakPolarHBondContact CB-OG 3.45Å; P1000-S1003 VanDerWaalsContact O-CB 3.28Å; P1000-S1003 WeakPolarHBondContact O-CB 3.32Å; P1000-S1003 PolarHBondContact O-N 2.87Å; P1000-S1003 VanDerWaalsContact O-N 3.13Å; P1000-S1003 PolarHBondContact O-OG 3.44Å; P1000-S1003 VanDerWaalsContact O-OG 3.13Å
1004	P	68.1	Low	79.4	Confident	96 Å²	96	40.6 Å²	40.6	62%	0.623	23%	0.232	S	C	*	.	P	Polyproline II helix	trans	-61.6	155.1	177.9	26	-34.9	0	0	0	112.8	S1006	P1004-S1006 PolarHBondContact O-N 3.13Å
1005	P	78.4	Confident	79.9	Confident	34 Å²	34	33.5 Å²	33.5	22%	0.221	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-62.9	124.6	-178.9	26.2	-34.4	0	0	0	111.4	S1069 Q1071	P1005-S1069 VanDerWaalsContact CB-C 3.45Å; P1005-Q1071 PolarHBondContact O-OE1 3.37Å
1006	S	84.6	Confident	80.5	Confident	27 Å²	27	31.1 Å²	31.1	19%	0.189	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-85.4	136.8	-178.3	176.4	0	0	0	0	112.4	G996 P1004 H1008 Y1009 T1010	G996-S1006 WeakPolarHBondContact CA-OG 3.39Å; P1004-S1006 PolarHBondContact O-N 3.13Å; S1006-H1008 PolarHBondContact O-N 3.3Å; S1006-H1008 WeakPolarHBondContact OG-CB 3.49Å; S1006-H1008 PolarHBondContact OG-N 2.89Å; S1006-Y1009 PolarHBondContact O-N 3.4Å; S1006-T1010 PolarHBondContact O-N 3.07Å; S1006-T1010 VanDerWaalsContact O-N 3.1Å; S1006-T1010 PolarHBondContact O-OG1 2.88Å
1007	E	87.4	Confident	81.4	Confident	34 Å²	34	31 Å²	31	16%	0.159	18%	0.176	C	C	.	.	H	α-helix	trans	-56	-36.8	170.4	-152.5	-175.6	-170.6	0	0	111.9	I993 Y1009 T1010 I1011 L1073 K1077	I993-E1007 WeakPolarHBondContact CG2-OE2 3.46Å; E1007-Y1009 PolarHBondContact O-N 2.9Å; E1007-T1010 WeakPolarHBondContact O-CB 3.5Å; E1007-T1010 PolarHBondContact O-N 3.49Å; E1007-T1010 VanDerWaalsContact O-N 3.14Å; E1007-I1011 WeakPolarHBondContact O-CG1 3.47Å; E1007-I1011 PolarHBondContact O-N 3.36Å; E1007-L1073 HydrophobicContact CG-CD2 3.54Å; E1007-K1077 WeakPolarHBondContact OE1-CD 3.37Å; E1007-K1077 WeakPolarHBondContact OE1-CE 3.39Å; E1007-K1077 IonicContact OE1-NZ 3.6Å; E1007-K1077 PolarHBondContact OE1-NZ 3.37Å; E1007-K1077 IonicContact OE2-NZ 2.71Å; E1007-K1077 PolarHBondContact OE2-NZ 2.92Å
1008	H	89.6	Confident	82.2	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.009	16%	0.162	C	C	.	.	H	α-helix	trans	-58.7	-50.6	179.9	-179.3	-149.1	0	0	0	112.2	L984 E988 I993 S995 G996 S1006 T1010 I1011 I1012	L984-H1008 PolarHBondContact O-NE2 2.9Å; E988-H1008 IonicContact OE2-NE2 2.59Å; I993-H1008 HydrophobicContact CD1-CB 3.91Å; I993-H1008 HydrophobicContact CG1-CB 4.45Å; S995-H1008 VanDerWaalsContact C-CE1 3.47Å; G996-H1008 WeakPolarHBondContact CA-CE1 3.4Å; G996-H1008 PolarHBondContact N-CE1 3.5Å; G996-H1008 PolarHBondContact N-ND1 3Å; S1006-H1008 PolarHBondContact O-N 3.3Å; S1006-H1008 WeakPolarHBondContact OG-CB 3.49Å; S1006-H1008 PolarHBondContact OG-N 2.89Å; H1008-T1010 VanDerWaalsContact C-N 3.31Å; H1008-T1010 PolarHBondContact O-N 2.99Å; H1008-I1011 PolarHBondContact O-N 3.13Å; H1008-I1012 PolarHBondContact O-N 2.73Å
1009	Y	88.8	Confident	83.5	Confident	23 Å²	23	22 Å²	22	9%	0.09	13%	0.133	C	C	.	.	H	α-helix	trans	-71.2	-27.9	176.4	-69.9	-11	0	0	0	112.4	L984 G996 R997 S1006 E1007 I1011 I1012 F1013	L984-Y1009 HydrophobicContact CD1-CE1 3.95Å; G996-Y1009 WeakPolarHBondContact O-CE2 3.27Å; G996-Y1009 PolarHBondContact O-OH 3.29Å; G996-Y1009 VanDerWaalsContact O-OH 3.12Å; R997-Y1009 HydrophobicContact CG-CE1 4.47Å; S1006-Y1009 PolarHBondContact O-N 3.4Å; E1007-Y1009 PolarHBondContact O-N 2.9Å; Y1009-I1011 PolarHBondContact O-N 3.08Å; Y1009-I1012 HydrophobicContact CD1-CD1 3.95Å; Y1009-I1012 HydrophobicContact CE1-CD1 4.45Å; Y1009-I1012 PolarHBondContact O-N 3.11Å; Y1009-F1013 WeakPolarHBondContact O-CB 3.21Å; Y1009-F1013 PolarHBondContact O-N 3.4Å
1010	T	92.1	Very high	84.7	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.9	-36.9	173.4	-49.1	0	0	0	0	112	S1006 E1007 H1008 N1014 V1061 C1070 Q1071 L1073	S1006-T1010 PolarHBondContact O-N 3.07Å; S1006-T1010 VanDerWaalsContact O-N 3.1Å; S1006-T1010 PolarHBondContact O-OG1 2.88Å; E1007-T1010 WeakPolarHBondContact O-CB 3.5Å; E1007-T1010 PolarHBondContact O-N 3.49Å; E1007-T1010 VanDerWaalsContact O-N 3.14Å; H1008-T1010 VanDerWaalsContact C-N 3.31Å; H1008-T1010 PolarHBondContact O-N 2.99Å; T1010-N1014 VanDerWaalsContact O-CB 3.25Å; T1010-N1014 WeakPolarHBondContact O-CB 3.33Å; T1010-N1014 PolarHBondContact O-N 3.4Å; T1010-V1061 HydrophobicContact CG2-CG1 3.98Å; T1010-C1070 HydrophobicContact CG2-CB 4.05Å; T1010-Q1071 WeakPolarHBondContact CG2-O 3.48Å; T1010-Q1071 PolarHBondContact OG1-N 2.83Å; T1010-L1073 HydrophobicContact CG2-CD1 4.25Å; T1010-L1073 HydrophobicContact CG2-CD2 4.17Å; T1010-L1073 HydrophobicContact CG2-CG 4.03Å
1011	I	93	Very high	86.2	Confident	4 Å²	4	18.2 Å²	18.2	2%	0.021	10%	0.104	C	C	.	.	H	α-helix	trans	-63.7	-42.4	172.2	-66.7	172.3	0	0	0	111.1	L983 F991 I993 E1007 H1008 Y1009 T1015 L1073 K1077	L983-I1011 HydrophobicContact CD2-CG2 4.48Å; F991-I1011 HydrophobicContact CB-CD1 4.45Å; F991-I1011 HydrophobicContact CD2-CD1 4.23Å; F991-I1011 HydrophobicContact CE2-CG2 4.33Å; F991-I1011 HydrophobicContact CG-CD1 4.21Å; I993-I1011 HydrophobicContact CD1-CD1 3.62Å; E1007-I1011 WeakPolarHBondContact O-CG1 3.47Å; E1007-I1011 PolarHBondContact O-N 3.36Å; H1008-I1011 PolarHBondContact O-N 3.13Å; Y1009-I1011 PolarHBondContact O-N 3.08Å; I1011-T1015 VanDerWaalsContact O-CB 3.27Å; I1011-T1015 WeakPolarHBondContact O-CB 3.35Å; I1011-T1015 PolarHBondContact O-N 3.29Å; I1011-T1015 PolarHBondContact O-OG1 3.16Å; I1011-L1073 HydrophobicContact CG1-CD1 4.32Å; I1011-L1073 HydrophobicContact CG1-CD2 3.69Å; I1011-K1077 HydrophobicContact CD1-CB 4.46Å; I1011-K1077 HydrophobicContact CD1-CD 4.13Å; I1011-K1077 HydrophobicContact CD1-CG 4.25Å
1012	I	92.6	Very high	88	Confident	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-62.1	-52.1	177.7	-63.7	174.8	0	0	0	110.4	I980 L983 L984 H1008 Y1009 N1014 T1015 F1016	I980-I1012 HydrophobicContact CD1-CG2 3.98Å; I980-I1012 HydrophobicContact CG2-CG2 4.11Å; L983-I1012 HydrophobicContact CB-CG1 3.96Å; L984-I1012 HydrophobicContact CB-CD1 4.12Å; L984-I1012 HydrophobicContact CD1-CD1 3.86Å; H1008-I1012 PolarHBondContact O-N 2.73Å; Y1009-I1012 HydrophobicContact CD1-CD1 3.95Å; Y1009-I1012 HydrophobicContact CE1-CD1 4.45Å; Y1009-I1012 PolarHBondContact O-N 3.11Å; I1012-N1014 PolarHBondContact O-N 3.41Å; I1012-T1015 PolarHBondContact O-N 3.1Å; I1012-F1016 VanDerWaalsContact O-CB 3.31Å; I1012-F1016 WeakPolarHBondContact O-CB 3.29Å; I1012-F1016 PolarHBondContact O-N 3.42Å
1013	F	93.2	Very high	89.7	Confident	0 Å²	0	15 Å²	15	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-57.2	-48.9	177.1	166.9	-116	0	0	0	111.9	L919 Q923 W926 Y1009 F1016 V1017 Q1057 I1060 V1061	L919-F1013 HydrophobicContact CD2-CB 3.94Å; L919-F1013 HydrophobicContact CD2-CD2 4.21Å; Q923-F1013 HydrophobicContact CB-CD2 3.83Å; Q923-F1013 HydrophobicContact CB-CE2 3.73Å; Q923-F1013 HydrophobicContact CB-CZ 4.37Å; Q923-F1013 HydrophobicContact CG-CD2 4.04Å; Q923-F1013 HydrophobicContact CG-CE1 4.49Å; Q923-F1013 HydrophobicContact CG-CE2 4.01Å; Q923-F1013 HydrophobicContact CG-CG 4.29Å; Q923-F1013 HydrophobicContact CG-CZ 4.24Å; W926-F1013 AromaticContact CD1-CZ 3.68Å; Y1009-F1013 WeakPolarHBondContact O-CB 3.21Å; Y1009-F1013 PolarHBondContact O-N 3.4Å; F1013-F1016 WeakPolarHBondContact O-CB 3.25Å; F1013-F1016 PolarHBondContact O-N 2.65Å; F1013-V1017 HydrophobicContact CD2-CG2 4.13Å; F1013-V1017 HydrophobicContact CE2-CG2 3.71Å; F1013-V1017 HydrophobicContact CZ-CG2 4.16Å; F1013-V1017 WeakPolarHBondContact O-CG2 3.38Å; F1013-V1017 PolarHBondContact O-N 3.45Å; F1013-Q1057 VanDerWaalsContact CE1-NE2 3.28Å; F1013-I1060 HydrophobicContact CE1-CG2 4.12Å; F1013-I1060 HydrophobicContact CZ-CG2 4.4Å; F1013-V1061 HydrophobicContact CE1-CG2 4.31Å
1014	N	94.9	Very high	91	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-67.1	-41.9	-178.2	-164.5	37.4	0	0	0	112.1	T1010 I1012 F1016 V1017 M1018 Q1057 V1061 L1073 W1078	T1010-N1014 VanDerWaalsContact O-CB 3.25Å; T1010-N1014 WeakPolarHBondContact O-CB 3.33Å; T1010-N1014 PolarHBondContact O-N 3.4Å; I1012-N1014 PolarHBondContact O-N 3.41Å; N1014-F1016 VanDerWaalsContact C-N 3.32Å; N1014-F1016 PolarHBondContact O-N 3.48Å; N1014-V1017 PolarHBondContact O-N 3.06Å; N1014-M1018 WeakPolarHBondContact O-CB 3.48Å; N1014-M1018 VanDerWaalsContact O-CG 3.26Å; N1014-M1018 WeakPolarHBondContact O-CG 3.21Å; N1014-M1018 PolarHBondContact O-N 2.95Å; N1014-Q1057 WeakPolarHBondContact OD1-CG 3.35Å; N1014-Q1057 PolarHBondContact OD1-NE2 3.23Å; N1014-Q1057 VanDerWaalsContact OD1-NE2 3.12Å; N1014-V1061 HydrophobicContact CB-CG2 4.27Å; N1014-L1073 HydrophobicContact CB-CD1 4.1Å; N1014-W1078 VanDerWaalsContact ND2-CE3 3.25Å; N1014-W1078 WeakPolarHBondContact ND2-CH2 3.45Å; N1014-W1078 WeakPolarHBondContact ND2-CZ3 3.25Å; N1014-W1078 WeakPolarHBondContact OD1-CH2 3.5Å
1015	T	95.3	Very high	92.3	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.1	-39.8	175.4	-53.8	0	0	0	0	111.1	L983 I1011 I1012 M1018 M1019 C1081 L1084	L983-T1015 HydrophobicContact CD1-CG2 3.9Å; I1011-T1015 VanDerWaalsContact O-CB 3.27Å; I1011-T1015 WeakPolarHBondContact O-CB 3.35Å; I1011-T1015 PolarHBondContact O-N 3.29Å; I1011-T1015 PolarHBondContact O-OG1 3.16Å; I1012-T1015 PolarHBondContact O-N 3.1Å; T1015-M1018 PolarHBondContact O-N 3.36Å; T1015-M1019 HydrophobicContact CG2-CE 4.17Å; T1015-M1019 HydrophobicContact CG2-CG 4.46Å; T1015-M1019 HydrophobicContact CG2-SD 4.4Å; T1015-M1019 WeakPolarHBondContact O-CG 3.37Å; T1015-M1019 PolarHBondContact O-N 2.97Å; T1015-C1081 PolarHBondContact OG1-SG 3.4Å; T1015-L1084 HydrophobicContact CG2-CB 3.79Å; T1015-L1084 HydrophobicContact CG2-CD1 3.89Å
1016	F	95.1	Very high	93	Very high	1 Å²	1	7.9 Å²	7.9	0%	0.004	4%	0.039	C	C	.	.	H	α-helix	trans	-59.7	-50.2	175.8	-175	-111.6	0	0	0	111.9	V899 V902 A903 L919 V927 I980 I1012 F1013 N1014 M1018 M1019 Q1020	V899-F1016 HydrophobicContact CG1-CZ 4.22Å; V902-F1016 HydrophobicContact CB-CE2 4.32Å; V902-F1016 HydrophobicContact CG1-CE2 3.72Å; A903-F1016 HydrophobicContact CB-CZ 4.16Å; L919-F1016 HydrophobicContact CD1-CD1 4.05Å; L919-F1016 HydrophobicContact CD1-CE1 4.2Å; L919-F1016 HydrophobicContact CD1-CG 4.49Å; V927-F1016 HydrophobicContact CG1-CE1 3.89Å; V927-F1016 HydrophobicContact CG2-CD1 4.1Å; V927-F1016 HydrophobicContact CG2-CE1 3.94Å; I980-F1016 HydrophobicContact CD1-CB 3.87Å; I980-F1016 HydrophobicContact CD1-CD2 4.13Å; I980-F1016 HydrophobicContact CD1-CG 4.45Å; I980-F1016 HydrophobicContact CG1-CD2 4.25Å; I1012-F1016 VanDerWaalsContact O-CB 3.31Å; I1012-F1016 WeakPolarHBondContact O-CB 3.29Å; I1012-F1016 PolarHBondContact O-N 3.42Å; F1013-F1016 WeakPolarHBondContact O-CB 3.25Å; F1013-F1016 PolarHBondContact O-N 2.65Å; N1014-F1016 VanDerWaalsContact C-N 3.32Å; N1014-F1016 PolarHBondContact O-N 3.48Å; F1016-M1018 PolarHBondContact O-N 2.86Å; F1016-M1019 PolarHBondContact O-N 3.46Å; F1016-Q1020 HydrophobicContact CE1-CG 4.47Å; F1016-Q1020 HydrophobicContact CZ-CG 4.41Å; F1016-Q1020 VanDerWaalsContact CZ-NE2 3.34Å; F1016-Q1020 WeakPolarHBondContact O-CG 3.28Å; F1016-Q1020 PolarHBondContact O-N 2.87Å
1017	V	94.9	Very high	93.3	Very high	3 Å²	3	6.6 Å²	6.6	2%	0.018	3%	0.03	C	C	.	.	H	α-helix	trans	-62.9	-41.7	177.4	176.5	0	0	0	0	111.7	V927 I930 F1013 N1014 M1019 Q1020 L1021 Q1057	V927-V1017 HydrophobicContact CG2-CG2 4.32Å; I930-V1017 HydrophobicContact CD1-CG1 3.98Å; F1013-V1017 HydrophobicContact CD2-CG2 4.13Å; F1013-V1017 HydrophobicContact CE2-CG2 3.71Å; F1013-V1017 HydrophobicContact CZ-CG2 4.16Å; F1013-V1017 WeakPolarHBondContact O-CG2 3.38Å; F1013-V1017 PolarHBondContact O-N 3.45Å; N1014-V1017 PolarHBondContact O-N 3.06Å; V1017-M1019 PolarHBondContact O-N 3.42Å; V1017-Q1020 PolarHBondContact O-N 3.43Å; V1017-L1021 HydrophobicContact CG1-CD1 4.35Å; V1017-L1021 PolarHBondContact O-N 3.45Å; V1017-Q1057 HydrophobicContact CB-CG 4.35Å; V1017-Q1057 HydrophobicContact CG1-CB 4.38Å; V1017-Q1057 HydrophobicContact CG1-CG 3.87Å
1018	M	95.6	Very high	93.5	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-60.8	-45	175.7	-69.5	-60.2	120.4	0	0	112	N1014 T1015 F1016 Q1020 L1021 F1022 F1054 Q1057 W1078 C1081 V1082	N1014-M1018 WeakPolarHBondContact O-CB 3.48Å; N1014-M1018 VanDerWaalsContact O-CG 3.26Å; N1014-M1018 WeakPolarHBondContact O-CG 3.21Å; N1014-M1018 PolarHBondContact O-N 2.95Å; T1015-M1018 PolarHBondContact O-N 3.36Å; F1016-M1018 PolarHBondContact O-N 2.86Å; M1018-Q1020 VanDerWaalsContact C-N 3.3Å; M1018-Q1020 PolarHBondContact O-N 3.34Å; M1018-L1021 HydrophobicContact CE-CD1 4.02Å; M1018-L1021 PolarHBondContact O-N 3.23Å; M1018-L1021 HydrophobicContact SD-CD1 4.41Å; M1018-F1022 WeakPolarHBondContact O-CD2 3.4Å; M1018-F1022 PolarHBondContact O-N 3.45Å; M1018-F1054 HydrophobicContact CE-CD2 3.78Å; M1018-F1054 HydrophobicContact CE-CE2 4.02Å; M1018-F1054 HydrophobicContact SD-CD2 3.76Å; M1018-F1054 HydrophobicContact SD-CE2 3.66Å; M1018-Q1057 HydrophobicContact CE-CB 4.16Å; M1018-Q1057 HydrophobicContact CE-CG 3.6Å; M1018-W1078 HydrophobicContact CE-CH2 4.33Å; M1018-W1078 HydrophobicContact CE-CZ3 3.9Å; M1018-W1078 HydrophobicContact SD-CZ3 4.39Å; M1018-C1081 HydrophobicContact CG-CB 4.44Å; M1018-V1082 HydrophobicContact CG-CG2 4.41Å; M1018-V1082 HydrophobicContact SD-CG2 4.04Å
1019	M	95.9	Very high	93.5	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-59.9	-38.9	175	-73.5	-175.7	-57.2	0	0	111.8	Y975 Q976 L979 I980 T1015 F1016 V1017 F1022 N1023	Y975-M1019 HydrophobicContact CD1-SD 4.48Å; Y975-M1019 HydrophobicContact CE1-SD 4.11Å; Q976-M1019 HydrophobicContact CB-CE 4.25Å; Q976-M1019 HydrophobicContact CB-SD 4.42Å; Q976-M1019 HydrophobicContact CG-CB 4.38Å; Q976-M1019 HydrophobicContact CG-CE 4.26Å; Q976-M1019 HydrophobicContact CG-SD 4.03Å; L979-M1019 HydrophobicContact CB-SD 4.3Å; L979-M1019 HydrophobicContact CD1-SD 3.79Å; I980-M1019 HydrophobicContact CD1-CE 3.73Å; I980-M1019 HydrophobicContact CG1-CE 3.84Å; T1015-M1019 HydrophobicContact CG2-CE 4.17Å; T1015-M1019 HydrophobicContact CG2-CG 4.46Å; T1015-M1019 HydrophobicContact CG2-SD 4.4Å; T1015-M1019 WeakPolarHBondContact O-CG 3.37Å; T1015-M1019 PolarHBondContact O-N 2.97Å; F1016-M1019 PolarHBondContact O-N 3.46Å; V1017-M1019 PolarHBondContact O-N 3.42Å; M1019-F1022 PolarHBondContact O-N 3.22Å; M1019-N1023 WeakPolarHBondContact O-CB 3.26Å; M1019-N1023 PolarHBondContact O-N 3.24Å
1020	Q	94.7	Very high	93.4	Very high	7 Å²	7	6 Å²	6	3%	0.033	3%	0.028	C	C	.	.	H	α-helix	trans	-67.8	-40.3	175.9	-54.4	-41.2	-16.5	0	0	113.2	F895 V899 F1016 V1017 M1018 F1022 N1023 E1024	F895-Q1020 HydrophobicContact CE2-CB 4.21Å; F895-Q1020 VanDerWaalsContact CE2-O 3.26Å; F895-Q1020 WeakPolarHBondContact CE2-O 3.24Å; F895-Q1020 HydrophobicContact CZ-CB 4.14Å; V899-Q1020 HydrophobicContact CG1-CG 4.29Å; V899-Q1020 HydrophobicContact CG2-CG 4.06Å; F1016-Q1020 HydrophobicContact CE1-CG 4.47Å; F1016-Q1020 HydrophobicContact CZ-CG 4.41Å; F1016-Q1020 VanDerWaalsContact CZ-NE2 3.34Å; F1016-Q1020 WeakPolarHBondContact O-CG 3.28Å; F1016-Q1020 PolarHBondContact O-N 2.87Å; V1017-Q1020 PolarHBondContact O-N 3.43Å; M1018-Q1020 VanDerWaalsContact C-N 3.3Å; M1018-Q1020 PolarHBondContact O-N 3.34Å; Q1020-F1022 VanDerWaalsContact C-N 3.28Å; Q1020-F1022 PolarHBondContact O-N 3.19Å; Q1020-N1023 PolarHBondContact O-N 3.38Å; Q1020-N1023 PolarHBondContact OE1-ND2 3.04Å; Q1020-E1024 PolarHBondContact O-N 3.38Å
1021	L	94.4	Very high	92.9	Very high	6 Å²	6	10.2 Å²	10.2	3%	0.031	5%	0.048	C	C	.	.	H	α-helix	trans	-59	-39	175.6	-73.6	170	0	0	0	112.7	V1017 M1018 V1050 T1053 F1054	V1017-L1021 HydrophobicContact CG1-CD1 4.35Å; V1017-L1021 PolarHBondContact O-N 3.45Å; M1018-L1021 HydrophobicContact CE-CD1 4.02Å; M1018-L1021 PolarHBondContact O-N 3.23Å; M1018-L1021 HydrophobicContact SD-CD1 4.41Å; L1021-V1050 HydrophobicContact CD2-CG1 4.47Å; L1021-T1053 HydrophobicContact CD1-CG2 4.48Å; L1021-T1053 HydrophobicContact CD2-CG2 3.75Å; L1021-T1053 HydrophobicContact CG-CG2 4.47Å; L1021-F1054 HydrophobicContact CD1-CB 4.14Å; L1021-F1054 HydrophobicContact CD1-CD2 4.32Å
1022	F	95.4	Very high	91.9	Very high	34 Å²	34	11.5 Å²	11.5	15%	0.149	6%	0.062	C	C	.	.	H	α-helix	trans	-77.9	-33.4	175.9	-68.7	-60.5	0	0	0	112.9	M1018 M1019 Q1020 E1024 I1025 N1026 G1085 L1086 E1088 L1089	M1018-F1022 WeakPolarHBondContact O-CD2 3.4Å; M1018-F1022 PolarHBondContact O-N 3.45Å; M1019-F1022 PolarHBondContact O-N 3.22Å; Q1020-F1022 VanDerWaalsContact C-N 3.28Å; Q1020-F1022 PolarHBondContact O-N 3.19Å; F1022-E1024 VanDerWaalsContact C-N 3.31Å; F1022-E1024 PolarHBondContact O-N 3.3Å; F1022-I1025 HydrophobicContact CD1-CD1 4.26Å; F1022-I1025 PolarHBondContact O-N 2.8Å; F1022-N1026 PolarHBondContact O-N 3.12Å; F1022-G1085 WeakPolarHBondContact CB-O 3.48Å; F1022-G1085 VanDerWaalsContact CD2-O 3.3Å; F1022-G1085 WeakPolarHBondContact CD2-O 3.45Å; F1022-L1086 HydrophobicContact CD1-CD2 4.14Å; F1022-L1086 HydrophobicContact CE1-CD2 3.51Å; F1022-L1086 HydrophobicContact CE1-CG 4.24Å; F1022-L1086 HydrophobicContact CE2-CD2 4.23Å; F1022-L1086 HydrophobicContact CE2-CG 4.05Å; F1022-L1086 HydrophobicContact CZ-CD2 3.55Å; F1022-L1086 HydrophobicContact CZ-CG 3.79Å; F1022-E1088 HydrophobicContact CB-CB 4.22Å; F1022-L1089 HydrophobicContact CB-CD2 3.97Å; F1022-L1089 HydrophobicContact CB-CG 3.99Å; F1022-L1089 HydrophobicContact CD1-CD1 3.75Å; F1022-L1089 HydrophobicContact CD1-CD2 4.28Å; F1022-L1089 HydrophobicContact CD1-CG 3.99Å; F1022-L1089 HydrophobicContact CE1-CD1 4.32Å; F1022-L1089 HydrophobicContact CG-CD1 4.47Å; F1022-L1089 HydrophobicContact CG-CG 4.27Å; F1022-L1089 VanDerWaalsContact O-CD2 3.26Å; F1022-L1089 WeakPolarHBondContact O-CD2 3.46Å
1023	N	94.3	Very high	91.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.6	-34.8	171.4	-172.7	26.6	0	0	0	112	F895 T898 M1019 Q1020 I1025 N1026 A1027 E1088	F895-N1023 HydrophobicContact CD2-CB 4.46Å; F895-N1023 HydrophobicContact CE2-CB 4.24Å; T898-N1023 WeakPolarHBondContact CG2-ND2 3.44Å; M1019-N1023 WeakPolarHBondContact O-CB 3.26Å; M1019-N1023 PolarHBondContact O-N 3.24Å; Q1020-N1023 PolarHBondContact O-N 3.38Å; Q1020-N1023 PolarHBondContact OE1-ND2 3.04Å; N1023-I1025 VanDerWaalsContact C-N 3.26Å; N1023-I1025 PolarHBondContact O-N 3.4Å; N1023-N1026 WeakPolarHBondContact O-CB 3.17Å; N1023-N1026 PolarHBondContact O-N 3.25Å; N1023-N1026 VanDerWaalsContact O-N 3.12Å; N1023-A1027 WeakPolarHBondContact O-CB 3.4Å; N1023-A1027 PolarHBondContact O-N 3.34Å; N1023-E1088 HydrophobicContact CB-CG 4.02Å
1024	E	93.9	Very high	91.1	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-58.8	-38.8	175.4	-159.1	-171.5	164.8	0	0	111.4	F895 A935 A938 L939 Q1020 F1022 A1027 R1028 F1046	F895-E1024 HydrophobicContact CD1-CG 4.43Å; F895-E1024 HydrophobicContact CD2-CB 4.17Å; F895-E1024 HydrophobicContact CD2-CG 4.44Å; F895-E1024 HydrophobicContact CE1-CG 4.2Å; F895-E1024 HydrophobicContact CE2-CB 3.78Å; F895-E1024 HydrophobicContact CE2-CG 4.26Å; F895-E1024 HydrophobicContact CZ-CB 3.95Å; F895-E1024 HydrophobicContact CZ-CG 4.12Å; A935-E1024 HydrophobicContact CB-CG 4.38Å; A938-E1024 VanDerWaalsContact CB-OE1 3.24Å; A938-E1024 WeakPolarHBondContact CB-OE1 3.38Å; L939-E1024 HydrophobicContact CD1-CG 4.17Å; L939-E1024 HydrophobicContact CD2-CG 4.4Å; L939-E1024 HydrophobicContact CG-CG 4.35Å; Q1020-E1024 PolarHBondContact O-N 3.38Å; F1022-E1024 VanDerWaalsContact C-N 3.31Å; F1022-E1024 PolarHBondContact O-N 3.3Å; E1024-A1027 PolarHBondContact O-N 3.44Å; E1024-R1028 PolarHBondContact O-N 3.14Å; E1024-F1046 HydrophobicContact CG-CE2 4.08Å
1025	I	93.6	Very high	90.8	Very high	14 Å²	14	27.3 Å²	27.3	7%	0.072	13%	0.132	C	C	.	.	H	α-helix	trans	-67.1	-43.3	174.7	-60.4	170.9	0	0	0	111.1	F1022 N1023 A1027 R1028 V1036 F1037 I1040 F1046 L1089	F1022-I1025 HydrophobicContact CD1-CD1 4.26Å; F1022-I1025 PolarHBondContact O-N 2.8Å; N1023-I1025 VanDerWaalsContact C-N 3.26Å; N1023-I1025 PolarHBondContact O-N 3.4Å; I1025-A1027 VanDerWaalsContact C-N 3.35Å; I1025-R1028 WeakPolarHBondContact O-CB 3.18Å; I1025-R1028 PolarHBondContact O-N 3.03Å; I1025-V1036 HydrophobicContact CG2-CB 4.27Å; I1025-V1036 HydrophobicContact CG2-CG2 4.13Å; I1025-F1037 HydrophobicContact CG2-CD1 4.48Å; I1025-F1037 HydrophobicContact CG2-CE1 4.26Å; I1025-I1040 HydrophobicContact CG2-CD1 4.5Å; I1025-F1046 HydrophobicContact CG1-CE1 4.27Å; I1025-F1046 HydrophobicContact CG1-CZ 4.02Å; I1025-L1089 HydrophobicContact CB-CD2 4.16Å; I1025-L1089 HydrophobicContact CG2-CD2 4.27Å
1026	N	93	Very high	90.4	Very high	8 Å²	8	27.7 Å²	27.7	4%	0.043	14%	0.135	C	C	.	.	H	α-helix	trans	-62	-41.7	174.3	-76.6	-30.8	0	0	0	111.8	H972 F1022 N1023 R1028 K1029 E1088	H972-N1026 PolarHBondContact CE1-ND2 3.37Å; F1022-N1026 PolarHBondContact O-N 3.12Å; N1023-N1026 WeakPolarHBondContact O-CB 3.17Å; N1023-N1026 PolarHBondContact O-N 3.25Å; N1023-N1026 VanDerWaalsContact O-N 3.12Å; N1026-R1028 PolarHBondContact O-N 3.23Å; N1026-R1028 VanDerWaalsContact O-N 3.15Å; N1026-K1029 PolarHBondContact O-N 3.09Å; N1026-E1088 PolarHBondContact ND2-O 3.16Å
1027	A	91.9	Very high	90.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.7	-17.4	-176.8	0	0	0	0	0	114.1	K891 F895 N1023 E1024 I1025 K1029	K891-A1027 WeakPolarHBondContact CB-O 3.36Å; K891-A1027 WeakPolarHBondContact CG-O 3.35Å; F895-A1027 HydrophobicContact CB-CB 3.75Å; F895-A1027 HydrophobicContact CD2-CB 4.37Å; F895-A1027 HydrophobicContact CG-CB 4.46Å; N1023-A1027 WeakPolarHBondContact O-CB 3.4Å; N1023-A1027 PolarHBondContact O-N 3.34Å; E1024-A1027 PolarHBondContact O-N 3.44Å; I1025-A1027 VanDerWaalsContact C-N 3.35Å; A1027-K1029 PolarHBondContact O-N 3.23Å; A1027-K1029 VanDerWaalsContact O-N 3.12Å
1028	R	91.4	Very high	89.7	Confident	6 Å²	6	37.2 Å²	37.2	2%	0.023	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-23.3	169	-66.9	-179.5	62.7	-126.6	-1.5	113.3	K891 L939 E942 E1024 I1025 N1026 V1036 D1038 F1046	K891-R1028 WeakPolarHBondContact CD-O 3.28Å; K891-R1028 VanDerWaalsContact CE-O 3.23Å; K891-R1028 WeakPolarHBondContact CE-O 3.38Å; L939-R1028 HydrophobicContact CD2-CG 3.79Å; E942-R1028 IonicContact OE1-CZ 3.62Å; E942-R1028 IonicContact OE1-NE 3.68Å; E942-R1028 PolarHBondContact OE1-NE 3.08Å; E942-R1028 IonicContact OE1-NH2 3.34Å; E942-R1028 PolarHBondContact OE1-NH2 3.22Å; E1024-R1028 PolarHBondContact O-N 3.14Å; I1025-R1028 WeakPolarHBondContact O-CB 3.18Å; I1025-R1028 PolarHBondContact O-N 3.03Å; N1026-R1028 PolarHBondContact O-N 3.23Å; N1026-R1028 VanDerWaalsContact O-N 3.15Å; R1028-V1036 PolarHBondContact NH1-O 3.38Å; R1028-D1038 PolarHBondContact NH1-O 2.56Å; R1028-D1038 VanDerWaalsContact NH1-O 3.16Å; R1028-D1038 PolarHBondContact NH2-O 3.47Å; R1028-F1046 HydrophobicContact CG-CE2 3.98Å; R1028-F1046 HydrophobicContact CG-CZ 4.12Å
1029	K	89.3	Confident	89.1	Confident	28 Å²	28	38.4 Å²	38.4	12%	0.122	19%	0.193	C	C	.	.			trans	-119.1	109.1	-175.4	-62	-56.4	-164.9	167.4	0	112.1	N1026 A1027 E1033 N1035 V1036	N1026-K1029 PolarHBondContact O-N 3.09Å; A1027-K1029 PolarHBondContact O-N 3.23Å; A1027-K1029 VanDerWaalsContact O-N 3.12Å; K1029-E1033 HydrophobicContact CB-CB 4.26Å; K1029-E1033 HydrophobicContact CD-CB 4.1Å; K1029-E1033 WeakPolarHBondContact CD-OE2 3.38Å; K1029-E1033 WeakPolarHBondContact CE-OE2 3.44Å; K1029-E1033 HydrophobicContact CG-CB 4.28Å; K1029-E1033 IonicContact NZ-OE2 2.66Å; K1029-E1033 PolarHBondContact NZ-OE2 2.95Å; K1029-N1035 WeakPolarHBondContact CE-O 3.39Å; K1029-V1036 HydrophobicContact CG-CG1 4.27Å
1030	I	86.4	Confident	88.7	Confident	12 Å²	12	39.5 Å²	39.5	6%	0.062	20%	0.198	C	C	.	.			trans	-104.1	-16.8	-175.8	57.5	171.6	0	0	0	114.6	D887 K891 Q894	D887-I1030 HydrophobicContact CB-CD1 4.34Å; K891-I1030 HydrophobicContact CB-CG2 4.43Å; K891-I1030 HydrophobicContact CG-CG2 3.91Å; Q894-I1030 HydrophobicContact CB-CG2 4.48Å
1031	H	81.8	Confident	88.5	Confident	89 Å²	89	48 Å²	48	41%	0.412	24%	0.235	S	C	.	.	S	Bend	trans	-94.2	13.3	-174.3	-68.6	100	0	0	0	115	D887 R951 Y954 E1033	D887-H1031 IonicContact OD1-NE2 2.7Å; D887-H1031 PolarHBondContact OD1-NE2 3.3Å; D887-H1031 IonicContact OD2-CE1 2.83Å; D887-H1031 IonicContact OD2-ND1 3.78Å; D887-H1031 IonicContact OD2-NE2 3.48Å; D887-H1031 PolarHBondContact OD2-NE2 3.22Å; R951-H1031 PolarHBondContact NH1-NE2 3.07Å; Y954-H1031 PolarHBondContact OH-NE2 3.24Å; H1031-E1033 IonicContact CE1-OE1 2.77Å
1032	G	73.3	Confident	88.1	Confident	32 Å²	32	56.1 Å²	56.1	33%	0.33	27%	0.265	S	S	.	.			trans	77.5	21.5	-174.9	0	0	0	0	0	113.9	V1096	G1032-V1096 WeakPolarHBondContact O-CG1 3.49Å
1033	E	83.1	Confident	87.7	Confident	79 Å²	79	54.6 Å²	54.6	37%	0.369	26%	0.259	S	S	.	.			trans	-67.8	131.9	170.4	-64.4	166	-111.6	0	0	110	K1029 H1031	K1029-E1033 HydrophobicContact CB-CB 4.26Å; K1029-E1033 HydrophobicContact CD-CB 4.1Å; K1029-E1033 WeakPolarHBondContact CD-OE2 3.38Å; K1029-E1033 WeakPolarHBondContact CE-OE2 3.44Å; K1029-E1033 HydrophobicContact CG-CB 4.28Å; K1029-E1033 IonicContact NZ-OE2 2.66Å; K1029-E1033 PolarHBondContact NZ-OE2 2.95Å; H1031-E1033 IonicContact CE1-OE1 2.77Å
1034	R	84.4	Confident	87.5	Confident	160 Å²	160	59 Å²	59	60%	0.604	29%	0.287	S	S	*	.	S	Bend	trans	-78.5	-37.8	-178.8	-69.3	-173.6	-178.4	-169.4	0	113.7	V1036 Q1093 V1096	R1034-V1036 PolarHBondContact O-N 2.99Å; R1034-V1036 VanDerWaalsContact O-N 3.08Å; R1034-Q1093 PolarHBondContact O-NE2 3.02Å; R1034-Q1093 PolarHBondContact O-OE1 3.42Å; R1034-V1096 HydrophobicContact CG-CG1 3.87Å
1035	N	88.4	Confident	87.3	Confident	93 Å²	93	61.6 Å²	61.6	50%	0.497	30%	0.301	S	S	.	.			trans	-81.9	93.4	-175.5	-170.7	-3.2	0	0	0	111.5	K1029 F1037 D1038	K1029-N1035 WeakPolarHBondContact CE-O 3.39Å; N1035-F1037 VanDerWaalsContact C-N 3.31Å; N1035-F1037 PolarHBondContact OD1-N 3.19Å; N1035-F1037 VanDerWaalsContact OD1-N 3.14Å; N1035-D1038 HydrophobicContact CB-CB 4.29Å; N1035-D1038 PolarHBondContact OD1-N 3.39Å
1036	V	87.8	Confident	87.2	Confident	9 Å²	9	61.1 Å²	61.1	6%	0.055	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-18.9	177.9	-61.4	0	0	0	0	113.7	I1025 R1028 K1029 R1034	I1025-V1036 HydrophobicContact CG2-CB 4.27Å; I1025-V1036 HydrophobicContact CG2-CG2 4.13Å; R1028-V1036 PolarHBondContact NH1-O 3.38Å; K1029-V1036 HydrophobicContact CG-CG1 4.27Å; R1034-V1036 PolarHBondContact O-N 2.99Å; R1034-V1036 VanDerWaalsContact O-N 3.08Å
1037	F	89.4	Confident	87.2	Confident	114 Å²	114	62.6 Å²	62.6	50%	0.5	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-10.8	178.2	-60.7	-70.4	0	0	0	113.4	I1025 N1035 G1039 I1040 L1089	I1025-F1037 HydrophobicContact CG2-CD1 4.48Å; I1025-F1037 HydrophobicContact CG2-CE1 4.26Å; N1035-F1037 VanDerWaalsContact C-N 3.31Å; N1035-F1037 PolarHBondContact OD1-N 3.19Å; N1035-F1037 VanDerWaalsContact OD1-N 3.14Å; F1037-G1039 PolarHBondContact O-N 2.76Å; F1037-I1040 HydrophobicContact CD1-CD1 4.35Å; F1037-I1040 WeakPolarHBondContact O-CB 3.41Å; F1037-I1040 VanDerWaalsContact O-CG2 3.3Å; F1037-I1040 WeakPolarHBondContact O-CG2 3.28Å; F1037-I1040 PolarHBondContact O-N 2.82Å; F1037-I1040 VanDerWaalsContact O-N 3.17Å; F1037-L1089 HydrophobicContact CZ-CD1 4.05Å
1038	D	86.6	Confident	87.3	Confident	90 Å²	90	66.5 Å²	66.5	48%	0.481	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	133.2	180	-175.3	35.4	0	0	0	111.5	R1028 N1035 I1040	R1028-D1038 PolarHBondContact NH1-O 2.56Å; R1028-D1038 VanDerWaalsContact NH1-O 3.16Å; R1028-D1038 PolarHBondContact NH2-O 3.47Å; N1035-D1038 HydrophobicContact CB-CB 4.29Å; N1035-D1038 PolarHBondContact OD1-N 3.39Å; D1038-I1040 PolarHBondContact O-N 3.35Å
1039	G	82	Confident	87.3	Confident	25 Å²	25	67.2 Å²	67.2	26%	0.258	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	8.9	-178.2	0	0	0	0	0	116.9	F1037 F1041 R1042	F1037-G1039 PolarHBondContact O-N 2.76Å; G1039-F1041 VanDerWaalsContact C-N 3.33Å; G1039-F1041 PolarHBondContact O-N 2.87Å; G1039-R1042 VanDerWaalsContact O-CB 3.22Å; G1039-R1042 WeakPolarHBondContact O-CB 3.36Å; G1039-R1042 WeakPolarHBondContact O-CG 3.28Å; G1039-R1042 PolarHBondContact O-N 3.19Å
1040	I	88.3	Confident	87.5	Confident	23 Å²	23	67.1 Å²	67.1	12%	0.118	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-54.5	-45.2	-171.1	-164.2	167.6	0	0	0	113.1	I1025 F1037 D1038 R1042 N1043 F1046	I1025-I1040 HydrophobicContact CG2-CD1 4.5Å; F1037-I1040 HydrophobicContact CD1-CD1 4.35Å; F1037-I1040 WeakPolarHBondContact O-CB 3.41Å; F1037-I1040 VanDerWaalsContact O-CG2 3.3Å; F1037-I1040 WeakPolarHBondContact O-CG2 3.28Å; F1037-I1040 PolarHBondContact O-N 2.82Å; F1037-I1040 VanDerWaalsContact O-N 3.17Å; D1038-I1040 PolarHBondContact O-N 3.35Å; I1040-R1042 PolarHBondContact O-N 2.85Å; I1040-R1042 VanDerWaalsContact O-N 3.13Å; I1040-N1043 PolarHBondContact O-N 3.07Å; I1040-F1046 HydrophobicContact CD1-CD1 4.48Å; I1040-F1046 HydrophobicContact CD1-CE1 3.98Å; I1040-F1046 HydrophobicContact CG1-CD1 4.03Å; I1040-F1046 HydrophobicContact CG1-CE1 4Å
1041	F	89.1	Confident	87.8	Confident	184 Å²	184	73.7 Å²	73.7	81%	0.807	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-70.6	-4.6	178.6	-56.5	-68.1	0	0	0	114.7	G1039 N1043	G1039-F1041 VanDerWaalsContact C-N 3.33Å; G1039-F1041 PolarHBondContact O-N 2.87Å; F1041-N1043 VanDerWaalsContact C-N 3.32Å
1042	R	86.1	Confident	88.4	Confident	177 Å²	177	70.6 Å²	70.6	67%	0.668	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-75.6	-21.6	173.2	-62.6	-176.8	175.4	-175.3	0.3	112.5	P943 G1039 I1040 P1044	P943-R1042 HydrophobicContact CG-CB 4.19Å; G1039-R1042 VanDerWaalsContact O-CB 3.22Å; G1039-R1042 WeakPolarHBondContact O-CB 3.36Å; G1039-R1042 WeakPolarHBondContact O-CG 3.28Å; G1039-R1042 PolarHBondContact O-N 3.19Å; I1040-R1042 PolarHBondContact O-N 2.85Å; I1040-R1042 VanDerWaalsContact O-N 3.13Å; R1042-P1044 WeakPolarHBondContact O-CD 3.45Å
1043	N	87.8	Confident	89.4	Confident	3 Å²	3	69.2 Å²	69.2	2%	0.016	35%	0.348	C	S	.	.			trans	-107.5	95.8	172.4	-169.5	-2	0	0	0	110.4	A938 T941 I1040 F1041 I1045 F1046 C1047	A938-N1043 PolarHBondContact O-ND2 3.22Å; A938-N1043 VanDerWaalsContact O-ND2 3.17Å; T941-N1043 PolarHBondContact OG1-ND2 3.2Å; I1040-N1043 PolarHBondContact O-N 3.07Å; F1041-N1043 VanDerWaalsContact C-N 3.32Å; N1043-I1045 PolarHBondContact O-N 3.47Å; N1043-I1045 WeakPolarHBondContact OD1-CB 3.49Å; N1043-I1045 PolarHBondContact OD1-N 3.12Å; N1043-I1045 VanDerWaalsContact OD1-N 3.08Å; N1043-F1046 HydrophobicContact CB-CB 3.93Å; N1043-F1046 PolarHBondContact O-N 3.06Å; N1043-F1046 PolarHBondContact OD1-N 3.47Å; N1043-C1047 PolarHBondContact O-N 2.91Å; N1043-C1047 PolarHBondContact O-SG 3.41Å
1044	P	89.6	Confident	89.9	Confident	92 Å²	92	68.6 Å²	68.6	60%	0.597	34%	0.344	S	S	*	.	H	α-helix	trans	-67.5	-23.6	177.5	28.5	-34.9	0	0	0	112.6	R1042 S1048	R1042-P1044 WeakPolarHBondContact O-CD 3.45Å; P1044-S1048 VanDerWaalsContact O-CB 3.28Å; P1044-S1048 WeakPolarHBondContact O-CB 3.35Å; P1044-S1048 PolarHBondContact O-N 3.37Å
1045	I	90.3	Very high	90.5	Very high	56 Å²	56	62.9 Å²	62.9	29%	0.287	33%	0.331	S	S	.	.	H	α-helix	trans	-66.6	-49.2	176.8	-56.1	174.4	0	0	0	109.1	Y483 L937 T941 N1043 C1047 S1048 I1049	Y483-I1045 HydrophobicContact CE2-CD1 4.36Å; L937-I1045 HydrophobicContact CD2-CG2 4.47Å; L937-I1045 HydrophobicContact CG-CG2 4.01Å; T941-I1045 HydrophobicContact CG2-CD1 4.28Å; N1043-I1045 PolarHBondContact O-N 3.47Å; N1043-I1045 WeakPolarHBondContact OD1-CB 3.49Å; N1043-I1045 PolarHBondContact OD1-N 3.12Å; N1043-I1045 VanDerWaalsContact OD1-N 3.08Å; I1045-C1047 PolarHBondContact O-N 2.82Å; I1045-S1048 PolarHBondContact O-N 2.98Å; I1045-I1049 HydrophobicContact CG2-CD1 3.77Å; I1045-I1049 WeakPolarHBondContact O-CG1 3.33Å; I1045-I1049 PolarHBondContact O-N 3.12Å
1046	F	92.1	Very high	90.7	Very high	3 Å²	3	62 Å²	62	1%	0.013	33%	0.326	C	S	.	.	H	α-helix	trans	-55.2	-50.9	174.8	-177.8	-88	0	0	0	111.9	A938 L939 E1024 I1025 R1028 I1040 N1043 S1048 I1049 V1050	A938-F1046 HydrophobicContact CB-CD2 3.83Å; A938-F1046 HydrophobicContact CB-CE2 4.49Å; L939-F1046 HydrophobicContact CD2-CD2 4.22Å; L939-F1046 HydrophobicContact CD2-CE2 3.81Å; E1024-F1046 HydrophobicContact CG-CE2 4.08Å; I1025-F1046 HydrophobicContact CG1-CE1 4.27Å; I1025-F1046 HydrophobicContact CG1-CZ 4.02Å; R1028-F1046 HydrophobicContact CG-CE2 3.98Å; R1028-F1046 HydrophobicContact CG-CZ 4.12Å; I1040-F1046 HydrophobicContact CD1-CD1 4.48Å; I1040-F1046 HydrophobicContact CD1-CE1 3.98Å; I1040-F1046 HydrophobicContact CG1-CD1 4.03Å; I1040-F1046 HydrophobicContact CG1-CE1 4Å; N1043-F1046 HydrophobicContact CB-CB 3.93Å; N1043-F1046 PolarHBondContact O-N 3.06Å; N1043-F1046 PolarHBondContact OD1-N 3.47Å; F1046-S1048 VanDerWaalsContact C-N 3.32Å; F1046-S1048 PolarHBondContact O-N 2.91Å; F1046-I1049 PolarHBondContact O-N 2.92Å; F1046-V1050 HydrophobicContact CD1-CG2 4.2Å; F1046-V1050 HydrophobicContact CE1-CG2 3.67Å; F1046-V1050 HydrophobicContact CE2-CG2 4.11Å; F1046-V1050 HydrophobicContact CZ-CG2 3.6Å; F1046-V1050 PolarHBondContact O-N 3.41Å
1047	C	92.8	Very high	91.1	Very high	39 Å²	39	61.6 Å²	61.6	26%	0.264	32%	0.323	S	S	.	.	H	α-helix	trans	-61.9	-39.5	179.9	-62.5	0	0	0	0	112.4	N1043 I1045 F1051	N1043-C1047 PolarHBondContact O-N 2.91Å; N1043-C1047 PolarHBondContact O-SG 3.41Å; I1045-C1047 PolarHBondContact O-N 2.82Å; C1047-F1051 WeakPolarHBondContact O-CB 3.44Å; C1047-F1051 PolarHBondContact O-N 3.38Å; C1047-F1051 VanDerWaalsContact O-N 3.15Å
1048	S	92.9	Very high	91.3	Very high	83 Å²	83	59.2 Å²	59.2	58%	0.58	32%	0.315	S	S	*	.	H	α-helix	trans	-67.9	-34.3	177.6	-170.7	0	0	0	0	112.7	P1044 I1045 F1046 G1052	P1044-S1048 VanDerWaalsContact O-CB 3.28Å; P1044-S1048 WeakPolarHBondContact O-CB 3.35Å; P1044-S1048 PolarHBondContact O-N 3.37Å; I1045-S1048 PolarHBondContact O-N 2.98Å; F1046-S1048 VanDerWaalsContact C-N 3.32Å; F1046-S1048 PolarHBondContact O-N 2.91Å; S1048-G1052 WeakPolarHBondContact O-CA 3.38Å; S1048-G1052 PolarHBondContact O-N 3.29Å
1049	I	92.1	Very high	91.6	Very high	20 Å²	20	59 Å²	59	10%	0.103	32%	0.316	C	S	.	.	H	α-helix	trans	-73.9	-51.4	179.1	-72.9	171.6	0	0	0	110.4	F934 L937 A938 I1045 F1046 F1051 G1052 T1053	F934-I1049 HydrophobicContact CB-CG2 3.84Å; L937-I1049 HydrophobicContact CB-CD1 4.09Å; L937-I1049 HydrophobicContact CD2-CD1 4.04Å; L937-I1049 HydrophobicContact CG-CD1 3.98Å; A938-I1049 HydrophobicContact CB-CB 4.24Å; A938-I1049 HydrophobicContact CB-CD1 3.84Å; A938-I1049 HydrophobicContact CB-CG2 4.1Å; I1045-I1049 HydrophobicContact CG2-CD1 3.77Å; I1045-I1049 WeakPolarHBondContact O-CG1 3.33Å; I1045-I1049 PolarHBondContact O-N 3.12Å; F1046-I1049 PolarHBondContact O-N 2.92Å; I1049-F1051 VanDerWaalsContact C-N 3.34Å; I1049-F1051 PolarHBondContact O-N 3.47Å; I1049-G1052 PolarHBondContact O-N 2.94Å; I1049-T1053 WeakPolarHBondContact O-CB 3.28Å; I1049-T1053 PolarHBondContact O-N 3.49Å; I1049-T1053 PolarHBondContact O-OG1 3.32Å; I1049-T1053 VanDerWaalsContact O-OG1 3.06Å
1050	V	92.7	Very high	92.1	Very high	27 Å²	27	58.3 Å²	58.3	16%	0.164	31%	0.307	C	S	.	.	H	α-helix	trans	-59.1	-45.1	179.7	174.9	0	0	0	0	111.4	L1021 F1046 F1054	L1021-V1050 HydrophobicContact CD2-CG1 4.47Å; F1046-V1050 HydrophobicContact CD1-CG2 4.2Å; F1046-V1050 HydrophobicContact CE1-CG2 3.67Å; F1046-V1050 HydrophobicContact CE2-CG2 4.11Å; F1046-V1050 HydrophobicContact CZ-CG2 3.6Å; F1046-V1050 PolarHBondContact O-N 3.41Å; V1050-F1054 WeakPolarHBondContact O-CB 3.22Å; V1050-F1054 PolarHBondContact O-N 3.14Å; V1050-F1054 VanDerWaalsContact O-N 3.13Å
1051	F	94.3	Very high	92.4	Very high	149 Å²	149	57.2 Å²	57.2	65%	0.654	30%	0.301	S	S	*	.	H	α-helix	trans	-69.5	-39.9	176.6	-177	-98.1	0	0	0	112.6	C1047 I1049 F1054 A1055	C1047-F1051 WeakPolarHBondContact O-CB 3.44Å; C1047-F1051 PolarHBondContact O-N 3.38Å; C1047-F1051 VanDerWaalsContact O-N 3.15Å; I1049-F1051 VanDerWaalsContact C-N 3.34Å; I1049-F1051 PolarHBondContact O-N 3.47Å; F1051-F1054 PolarHBondContact O-N 3.11Å; F1051-A1055 WeakPolarHBondContact O-CB 3.48Å; F1051-A1055 PolarHBondContact O-N 2.71Å
1052	G	94.3	Very high	92.5	Very high	24 Å²	24	51 Å²	51	25%	0.247	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-48.5	177.8	0	0	0	0	0	112.2	S1048 I1049 F1054 A1055 I1056	S1048-G1052 WeakPolarHBondContact O-CA 3.38Å; S1048-G1052 PolarHBondContact O-N 3.29Å; I1049-G1052 PolarHBondContact O-N 2.94Å; G1052-F1054 PolarHBondContact O-N 3.07Å; G1052-A1055 PolarHBondContact O-N 3.45Å; G1052-I1056 VanDerWaalsContact O-CG1 3.27Å; G1052-I1056 WeakPolarHBondContact O-CG1 3.35Å; G1052-I1056 PolarHBondContact O-N 3.44Å
1053	T	93	Very high	92.7	Very high	4 Å²	4	50.4 Å²	50.4	3%	0.025	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-40.9	176.5	-57.4	0	0	0	0	111.7	W926 I930 L1021 I1049 I1056 Q1057	W926-T1053 HydrophobicContact CH2-CG2 4.47Å; W926-T1053 HydrophobicContact CZ2-CG2 4.06Å; I930-T1053 HydrophobicContact CD1-CG2 3.59Å; I930-T1053 HydrophobicContact CG1-CG2 3.63Å; I930-T1053 HydrophobicContact CG2-CG2 4.23Å; L1021-T1053 HydrophobicContact CD1-CG2 4.48Å; L1021-T1053 HydrophobicContact CD2-CG2 3.75Å; L1021-T1053 HydrophobicContact CG-CG2 4.47Å; I1049-T1053 WeakPolarHBondContact O-CB 3.28Å; I1049-T1053 PolarHBondContact O-N 3.49Å; I1049-T1053 PolarHBondContact O-OG1 3.32Å; I1049-T1053 VanDerWaalsContact O-OG1 3.06Å; T1053-I1056 PolarHBondContact O-N 3.03Å; T1053-Q1057 VanDerWaalsContact O-CB 3.28Å; T1053-Q1057 WeakPolarHBondContact O-CB 3.47Å; T1053-Q1057 PolarHBondContact O-N 2.65Å
1054	F	95.1	Very high	92.5	Very high	66 Å²	66	50.8 Å²	50.8	29%	0.289	28%	0.281	S	S	.	.	H	α-helix	trans	-60.2	-45.1	173.8	-179.9	-102.3	0	0	0	112.1	M1018 L1021 V1050 F1051 G1052 Q1057 I1058 V1082	M1018-F1054 HydrophobicContact CE-CD2 3.78Å; M1018-F1054 HydrophobicContact CE-CE2 4.02Å; M1018-F1054 HydrophobicContact SD-CD2 3.76Å; M1018-F1054 HydrophobicContact SD-CE2 3.66Å; L1021-F1054 HydrophobicContact CD1-CB 4.14Å; L1021-F1054 HydrophobicContact CD1-CD2 4.32Å; V1050-F1054 WeakPolarHBondContact O-CB 3.22Å; V1050-F1054 PolarHBondContact O-N 3.14Å; V1050-F1054 VanDerWaalsContact O-N 3.13Å; F1051-F1054 PolarHBondContact O-N 3.11Å; G1052-F1054 PolarHBondContact O-N 3.07Å; F1054-Q1057 PolarHBondContact O-N 2.85Å; F1054-I1058 HydrophobicContact CD1-CD1 3.99Å; F1054-I1058 HydrophobicContact CE1-CD1 3.54Å; F1054-I1058 HydrophobicContact CZ-CD1 3.91Å; F1054-I1058 WeakPolarHBondContact O-CG1 3.47Å; F1054-I1058 PolarHBondContact O-N 3.36Å; F1054-I1058 VanDerWaalsContact O-N 3.11Å; F1054-V1082 HydrophobicContact CE2-CG2 4.41Å
1055	A	95.3	Very high	92.2	Very high	40 Å²	40	47.6 Å²	47.6	33%	0.331	27%	0.266	S	S	.	.	H	α-helix	trans	-65.8	-41.6	177.3	0	0	0	0	0	112.7	F1051 G1052 I1058 V1059	F1051-A1055 WeakPolarHBondContact O-CB 3.48Å; F1051-A1055 PolarHBondContact O-N 2.71Å; G1052-A1055 PolarHBondContact O-N 3.45Å; A1055-I1058 PolarHBondContact O-N 2.97Å; A1055-V1059 PolarHBondContact O-N 3.29Å
1056	I	93.6	Very high	91.7	Very high	75 Å²	75	50.4 Å²	50.4	39%	0.385	28%	0.276	S	S	.	.	H	α-helix	trans	-66.2	-39.3	176.4	-65.5	163.2	0	0	0	110.6	W926 G1052 T1053 I1058 V1059 I1060	W926-I1056 HydrophobicContact CH2-CB 3.89Å; W926-I1056 HydrophobicContact CH2-CD1 4.29Å; W926-I1056 HydrophobicContact CH2-CG2 3.33Å; W926-I1056 HydrophobicContact CZ2-CB 4.16Å; W926-I1056 HydrophobicContact CZ2-CG2 3.68Å; W926-I1056 HydrophobicContact CZ3-CG2 4.02Å; G1052-I1056 VanDerWaalsContact O-CG1 3.27Å; G1052-I1056 WeakPolarHBondContact O-CG1 3.35Å; G1052-I1056 PolarHBondContact O-N 3.44Å; T1053-I1056 PolarHBondContact O-N 3.03Å; I1056-I1058 VanDerWaalsContact C-N 3.31Å; I1056-I1058 PolarHBondContact O-N 3.43Å; I1056-V1059 WeakPolarHBondContact O-CB 3.48Å; I1056-V1059 PolarHBondContact O-N 2.85Å; I1056-I1060 HydrophobicContact CG2-CD1 3.77Å; I1056-I1060 HydrophobicContact CG2-CG1 4.21Å; I1056-I1060 WeakPolarHBondContact O-CG1 3.33Å; I1056-I1060 PolarHBondContact O-N 3.37Å
1057	Q	94.9	Very high	91.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.2	-39	175.6	-176.7	64.8	15.5	0	0	111.9	F1013 N1014 V1017 M1018 T1053 F1054 V1059 I1060 V1061 W1078	F1013-Q1057 VanDerWaalsContact CE1-NE2 3.28Å; N1014-Q1057 WeakPolarHBondContact OD1-CG 3.35Å; N1014-Q1057 PolarHBondContact OD1-NE2 3.23Å; N1014-Q1057 VanDerWaalsContact OD1-NE2 3.12Å; V1017-Q1057 HydrophobicContact CB-CG 4.35Å; V1017-Q1057 HydrophobicContact CG1-CB 4.38Å; V1017-Q1057 HydrophobicContact CG1-CG 3.87Å; M1018-Q1057 HydrophobicContact CE-CB 4.16Å; M1018-Q1057 HydrophobicContact CE-CG 3.6Å; T1053-Q1057 VanDerWaalsContact O-CB 3.28Å; T1053-Q1057 WeakPolarHBondContact O-CB 3.47Å; T1053-Q1057 PolarHBondContact O-N 2.65Å; F1054-Q1057 PolarHBondContact O-N 2.85Å; Q1057-V1059 VanDerWaalsContact C-N 3.35Å; Q1057-I1060 PolarHBondContact O-N 2.92Å; Q1057-V1061 WeakPolarHBondContact O-CG2 3.49Å; Q1057-V1061 PolarHBondContact O-N 3.13Å; Q1057-W1078 HydrophobicContact CG-CH2 4.37Å
1058	I	94.1	Very high	90.7	Very high	64 Å²	64	54.2 Å²	54.2	33%	0.328	29%	0.294	S	S	.	.	H	α-helix	trans	-59	-47.1	171.4	-68.5	165.7	0	0	0	110.4	F1054 A1055 I1056 I1060 V1061 Q1062 W1078	F1054-I1058 HydrophobicContact CD1-CD1 3.99Å; F1054-I1058 HydrophobicContact CE1-CD1 3.54Å; F1054-I1058 HydrophobicContact CZ-CD1 3.91Å; F1054-I1058 WeakPolarHBondContact O-CG1 3.47Å; F1054-I1058 PolarHBondContact O-N 3.36Å; F1054-I1058 VanDerWaalsContact O-N 3.11Å; A1055-I1058 PolarHBondContact O-N 2.97Å; I1056-I1058 VanDerWaalsContact C-N 3.31Å; I1056-I1058 PolarHBondContact O-N 3.43Å; I1058-I1060 PolarHBondContact O-N 3.42Å; I1058-V1061 PolarHBondContact O-N 3.45Å; I1058-Q1062 WeakPolarHBondContact O-CB 3.45Å; I1058-Q1062 PolarHBondContact O-N 3.49Å; I1058-W1078 HydrophobicContact CB-CH2 4.33Å; I1058-W1078 HydrophobicContact CB-CZ2 4.36Å; I1058-W1078 HydrophobicContact CG1-CH2 3.61Å; I1058-W1078 HydrophobicContact CG1-CZ2 3.98Å; I1058-W1078 HydrophobicContact CG1-CZ3 4.16Å
1059	V	94.3	Very high	90.2	Very high	84 Å²	84	51.9 Å²	51.9	51%	0.509	28%	0.278	S	S	.	.	H	α-helix	trans	-62.1	-44	178.9	175.6	0	0	0	0	111.8	A1055 I1056 Q1057 F1063	A1055-V1059 PolarHBondContact O-N 3.29Å; I1056-V1059 WeakPolarHBondContact O-CB 3.48Å; I1056-V1059 PolarHBondContact O-N 2.85Å; Q1057-V1059 VanDerWaalsContact C-N 3.35Å; V1059-F1063 HydrophobicContact CG1-CD2 4.33Å; V1059-F1063 WeakPolarHBondContact O-CB 3.46Å; V1059-F1063 PolarHBondContact O-N 3.05Å
1060	I	91.6	Very high	90	Very high	12 Å²	12	51 Å²	51	6%	0.062	27%	0.274	C	S	.	.	H	α-helix	trans	-62.4	-43.8	179.1	-71.3	170.8	0	0	0	111.6	W926 F1013 I1056 Q1057 I1058 G1064 F1068	W926-I1060 HydrophobicContact CD2-CD1 3.73Å; W926-I1060 HydrophobicContact CE3-CD1 4.21Å; W926-I1060 HydrophobicContact CG-CD1 4.13Å; W926-I1060 HydrophobicContact CH2-CD1 4.37Å; W926-I1060 HydrophobicContact CZ2-CD1 3.87Å; F1013-I1060 HydrophobicContact CE1-CG2 4.12Å; F1013-I1060 HydrophobicContact CZ-CG2 4.4Å; I1056-I1060 HydrophobicContact CG2-CD1 3.77Å; I1056-I1060 HydrophobicContact CG2-CG1 4.21Å; I1056-I1060 WeakPolarHBondContact O-CG1 3.33Å; I1056-I1060 PolarHBondContact O-N 3.37Å; Q1057-I1060 PolarHBondContact O-N 2.92Å; I1058-I1060 PolarHBondContact O-N 3.42Å; I1060-G1064 WeakPolarHBondContact O-CA 3.49Å; I1060-G1064 PolarHBondContact O-N 2.86Å; I1060-F1068 HydrophobicContact CD1-CE1 4.21Å; I1060-F1068 HydrophobicContact CG1-CE1 4.35Å; I1060-F1068 HydrophobicContact CG1-CZ 4.48Å; I1060-F1068 HydrophobicContact CG2-CB 4.03Å; I1060-F1068 HydrophobicContact CG2-CD1 3.78Å; I1060-F1068 HydrophobicContact CG2-CE1 4.4Å; I1060-F1068 HydrophobicContact CG2-CG 3.87Å
1061	V	93.8	Very high	89.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-74.7	-37.9	-177.5	172.2	0	0	0	0	112.1	T1010 F1013 N1014 Q1057 I1058 L1073 W1078	T1010-V1061 HydrophobicContact CG2-CG1 3.98Å; F1013-V1061 HydrophobicContact CE1-CG2 4.31Å; N1014-V1061 HydrophobicContact CB-CG2 4.27Å; Q1057-V1061 WeakPolarHBondContact O-CG2 3.49Å; Q1057-V1061 PolarHBondContact O-N 3.13Å; I1058-V1061 PolarHBondContact O-N 3.45Å; V1061-L1073 HydrophobicContact CG1-CB 4.23Å; V1061-L1073 HydrophobicContact CG1-CD1 3.89Å; V1061-L1073 HydrophobicContact CG1-CG 3.8Å; V1061-W1078 HydrophobicContact CB-CZ2 3.79Å; V1061-W1078 HydrophobicContact CG1-CZ2 3.88Å; V1061-W1078 HydrophobicContact CG2-CZ2 4.19Å
1062	Q	92.6	Very high	89.8	Confident	52 Å²	52	50.1 Å²	50.1	24%	0.243	28%	0.277	C	S	.	.	H	α-helix	trans	-82.4	-30	-178.6	-106	43.7	47	0	0	114.3	I1058 L1073	I1058-Q1062 WeakPolarHBondContact O-CB 3.45Å; I1058-Q1062 PolarHBondContact O-N 3.49Å; Q1062-L1073 PolarHBondContact NE2-O 3.48Å
1063	F	90.8	Very high	89.7	Confident	166 Å²	166	49.3 Å²	49.3	73%	0.728	27%	0.266	S	S	*	.	H	α-helix	trans	-127.7	-8.6	-172.4	-54.5	-76.4	0	0	0	114.3	V1059 G1065	V1059-F1063 HydrophobicContact CG1-CD2 4.33Å; V1059-F1063 WeakPolarHBondContact O-CB 3.46Å; V1059-F1063 PolarHBondContact O-N 3.05Å; F1063-G1065 PolarHBondContact O-N 3.01Å
1064	G	82.3	Confident	89.6	Confident	10 Å²	10	51.6 Å²	51.6	10%	0.103	28%	0.282	C	S	.	.			trans	-74.3	-19.2	-176.2	0	0	0	0	0	115.4	I1060 P1067 F1068	I1060-G1064 WeakPolarHBondContact O-CA 3.49Å; I1060-G1064 PolarHBondContact O-N 2.86Å; G1064-P1067 VanDerWaalsContact O-CD 3.29Å; G1064-P1067 WeakPolarHBondContact O-CD 3.33Å; G1064-F1068 PolarHBondContact O-N 2.87Å
1065	G	83.9	Confident	89.5	Confident	26 Å²	26	55 Å²	55	27%	0.268	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	-139.1	166.3	0	0	0	0	0	115.8	F1063 F1068 S1069 C1070	F1063-G1065 PolarHBondContact O-N 3.01Å; G1065-F1068 PolarHBondContact O-N 3.35Å; G1065-S1069 PolarHBondContact O-N 3.27Å; G1065-C1070 CarbonylContact C-O 3.54Å; G1065-C1070 VanDerWaalsContact CA-O 3.31Å; G1065-C1070 WeakPolarHBondContact CA-O 3.5Å; G1065-C1070 PolarHBondContact O-N 3.34Å
1066	K	80.4	Confident	89.4	Confident	114 Å²	114	59.3 Å²	59.3	50%	0.496	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-47.4	178.1	-64.5	-172.4	179.3	-171.9	0	113.1	A150 I153 F1068 S1069	A150-K1066 HydrophobicContact CB-CD 4.35Å; I153-K1066 HydrophobicContact CD1-CD 4.48Å; K1066-F1068 VanDerWaalsContact C-N 3.33Å; K1066-F1068 PolarHBondContact O-N 3.05Å; K1066-S1069 PolarHBondContact O-N 2.98Å
1067	P	80.2	Confident	89.3	Confident	61 Å²	61	57.4 Å²	57.4	40%	0.396	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-36.3	-179.3	-29.5	35.5	0	0	0	116.2	I153 G1064	I153-P1067 HydrophobicContact CG2-CB 4.37Å; I153-P1067 HydrophobicContact CG2-CG 4.08Å; G1064-P1067 VanDerWaalsContact O-CD 3.29Å; G1064-P1067 WeakPolarHBondContact O-CD 3.33Å
1068	F	82.3	Confident	89.3	Confident	61 Å²	61	58.6 Å²	58.6	27%	0.268	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	4.7	176.4	-75.7	-88.5	0	0	0	113.5	V922 Q923 I1060 G1064 G1065 K1066 C1070	V922-F1068 HydrophobicContact CG1-CD1 3.71Å; V922-F1068 HydrophobicContact CG1-CE1 3.87Å; V922-F1068 HydrophobicContact CG1-CG 4.37Å; Q923-F1068 WeakPolarHBondContact CG-O 3.39Å; Q923-F1068 PolarHBondContact NE2-O 3.48Å; I1060-F1068 HydrophobicContact CD1-CE1 4.21Å; I1060-F1068 HydrophobicContact CG1-CE1 4.35Å; I1060-F1068 HydrophobicContact CG1-CZ 4.48Å; I1060-F1068 HydrophobicContact CG2-CB 4.03Å; I1060-F1068 HydrophobicContact CG2-CD1 3.78Å; I1060-F1068 HydrophobicContact CG2-CE1 4.4Å; I1060-F1068 HydrophobicContact CG2-CG 3.87Å; G1064-F1068 PolarHBondContact O-N 2.87Å; G1065-F1068 PolarHBondContact O-N 3.35Å; K1066-F1068 VanDerWaalsContact C-N 3.33Å; K1066-F1068 PolarHBondContact O-N 3.05Å; F1068-C1070 HydrophobicContact CB-CB 4.49Å; F1068-C1070 PolarHBondContact O-N 3.41Å; F1068-C1070 PolarHBondContact O-SG 2.91Å; F1068-C1070 VanDerWaalsContact O-SG 3.35Å
1069	S	83	Confident	89.3	Confident	35 Å²	35	60.9 Å²	60.9	25%	0.245	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	40.2	-172.2	-50.2	0	0	0	0	113.5	Q923 P1005 G1065 K1066	Q923-S1069 PolarHBondContact NE2-O 3.12Å; P1005-S1069 VanDerWaalsContact CB-C 3.45Å; G1065-S1069 PolarHBondContact O-N 3.27Å; K1066-S1069 PolarHBondContact O-N 2.98Å
1070	C	88.8	Confident	89.3	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.007	32%	0.319	C	S	.	.			trans	-117	142.5	-176.7	-70.8	0	0	0	0	112	T1010 G1065 F1068	T1010-C1070 HydrophobicContact CG2-CB 4.05Å; G1065-C1070 CarbonylContact C-O 3.54Å; G1065-C1070 VanDerWaalsContact CA-O 3.31Å; G1065-C1070 WeakPolarHBondContact CA-O 3.5Å; G1065-C1070 PolarHBondContact O-N 3.34Å; F1068-C1070 HydrophobicContact CB-CB 4.49Å; F1068-C1070 PolarHBondContact O-N 3.41Å; F1068-C1070 PolarHBondContact O-SG 2.91Å; F1068-C1070 VanDerWaalsContact O-SG 3.35Å
1071	Q	89.8	Confident	89.4	Confident	80 Å²	80	61.8 Å²	61.8	37%	0.374	32%	0.316	S	S	.	.			trans	-110	137.7	170.5	-171.3	175.1	-1.6	0	0	110.6	P1005 T1010 L1073	P1005-Q1071 PolarHBondContact O-OE1 3.37Å; T1010-Q1071 WeakPolarHBondContact CG2-O 3.48Å; T1010-Q1071 PolarHBondContact OG1-N 2.83Å; Q1071-L1073 PolarHBondContact O-N 2.93Å; Q1071-L1073 VanDerWaalsContact O-N 3.1Å
1072	P	91.9	Very high	89.5	Confident	78 Å²	78	63.4 Å²	63.4	51%	0.506	33%	0.325	S	S	.	.			trans	-60.1	115	-177.9	-24.8	34.8	0	0	0	113
1073	L	92.1	Very high	89.6	Confident	6 Å²	6	67 Å²	67	3%	0.031	34%	0.341	C	S	.	.			trans	-77.9	144.8	-179.4	-63.7	-179.2	0	0	0	112.7	E1007 T1010 I1011 N1014 V1061 Q1062 Q1071 K1077	E1007-L1073 HydrophobicContact CG-CD2 3.54Å; T1010-L1073 HydrophobicContact CG2-CD1 4.25Å; T1010-L1073 HydrophobicContact CG2-CD2 4.17Å; T1010-L1073 HydrophobicContact CG2-CG 4.03Å; I1011-L1073 HydrophobicContact CG1-CD1 4.32Å; I1011-L1073 HydrophobicContact CG1-CD2 3.69Å; N1014-L1073 HydrophobicContact CB-CD1 4.1Å; V1061-L1073 HydrophobicContact CG1-CB 4.23Å; V1061-L1073 HydrophobicContact CG1-CD1 3.89Å; V1061-L1073 HydrophobicContact CG1-CG 3.8Å; Q1062-L1073 PolarHBondContact NE2-O 3.48Å; Q1071-L1073 PolarHBondContact O-N 2.93Å; Q1071-L1073 VanDerWaalsContact O-N 3.1Å; L1073-K1077 HydrophobicContact CB-CB 4.42Å
1074	S	91.9	Very high	89.8	Confident	52 Å²	52	60.5 Å²	60.5	36%	0.364	31%	0.313	S	S	.	.			trans	-66.5	159.7	169.5	78	0	0	0	0	112.4	E1076 K1077 W1078	S1074-E1076 PolarHBondContact O-N 3.37Å; S1074-K1077 PolarHBondContact O-N 3.39Å; S1074-K1077 PolarHBondContact OG-N 3.4Å; S1074-W1078 PolarHBondContact O-N 2.94Å
1075	L	92.4	Very high	90.4	Very high	137 Å²	137	60 Å²	60	72%	0.717	31%	0.308	S	S	*	.	H	α-helix	trans	-59	-35.9	178.6	-176.6	64.8	0	0	0	112.4	W1078 L1079	L1075-W1078 WeakPolarHBondContact O-CB 3.23Å; L1075-W1078 PolarHBondContact O-N 3.46Å; L1075-L1079 HydrophobicContact CG-CD1 4.44Å; L1075-L1079 WeakPolarHBondContact O-CG 3.24Å; L1075-L1079 PolarHBondContact O-N 3.41Å
1076	E	92.8	Very high	90.9	Very high	131 Å²	131	62.5 Å²	62.5	61%	0.612	32%	0.315	S	S	*	.	H	α-helix	trans	-65.2	-48.2	177.2	-178.6	175.9	-175.5	0	0	111.8	S1074 W1078 L1079 W1080	S1074-E1076 PolarHBondContact O-N 3.37Å; E1076-W1078 VanDerWaalsContact C-N 3.27Å; E1076-W1078 PolarHBondContact O-N 2.85Å; E1076-L1079 PolarHBondContact O-N 3.04Å; E1076-L1079 VanDerWaalsContact O-N 3.12Å; E1076-W1080 VanDerWaalsContact O-CD1 3.25Å; E1076-W1080 PolarHBondContact O-N 2.96Å
1077	K	92.1	Very high	91.6	Very high	36 Å²	36	58 Å²	58	16%	0.157	30%	0.301	C	S	.	.	H	α-helix	trans	-61.6	-38.3	177.2	-69.3	168.8	-177.3	173.3	0	110.8	I993 E1007 I1011 L1073 S1074 W1080 C1081	I993-K1077 VanDerWaalsContact CG2-NZ 3.28Å; E1007-K1077 WeakPolarHBondContact OE1-CD 3.37Å; E1007-K1077 WeakPolarHBondContact OE1-CE 3.39Å; E1007-K1077 IonicContact OE1-NZ 3.6Å; E1007-K1077 PolarHBondContact OE1-NZ 3.37Å; E1007-K1077 IonicContact OE2-NZ 2.71Å; E1007-K1077 PolarHBondContact OE2-NZ 2.92Å; I1011-K1077 HydrophobicContact CD1-CB 4.46Å; I1011-K1077 HydrophobicContact CD1-CD 4.13Å; I1011-K1077 HydrophobicContact CD1-CG 4.25Å; L1073-K1077 HydrophobicContact CB-CB 4.42Å; S1074-K1077 PolarHBondContact O-N 3.39Å; S1074-K1077 PolarHBondContact OG-N 3.4Å; K1077-W1080 PolarHBondContact O-N 2.95Å; K1077-C1081 PolarHBondContact O-N 2.94Å; K1077-C1081 PolarHBondContact O-SG 2.91Å
1078	W	94	Very high	92.3	Very high	25 Å²	25	55 Å²	55	10%	0.095	28%	0.282	C	S	.	.	H	α-helix	trans	-58.9	-46.7	170.4	-99.3	107.9	0	0	0	114	N1014 M1018 Q1057 I1058 V1061 S1074 L1075 E1076 W1080 C1081 V1082	N1014-W1078 VanDerWaalsContact ND2-CE3 3.25Å; N1014-W1078 WeakPolarHBondContact ND2-CH2 3.45Å; N1014-W1078 WeakPolarHBondContact ND2-CZ3 3.25Å; N1014-W1078 WeakPolarHBondContact OD1-CH2 3.5Å; M1018-W1078 HydrophobicContact CE-CH2 4.33Å; M1018-W1078 HydrophobicContact CE-CZ3 3.9Å; M1018-W1078 HydrophobicContact SD-CZ3 4.39Å; Q1057-W1078 HydrophobicContact CG-CH2 4.37Å; I1058-W1078 HydrophobicContact CB-CH2 4.33Å; I1058-W1078 HydrophobicContact CB-CZ2 4.36Å; I1058-W1078 HydrophobicContact CG1-CH2 3.61Å; I1058-W1078 HydrophobicContact CG1-CZ2 3.98Å; I1058-W1078 HydrophobicContact CG1-CZ3 4.16Å; V1061-W1078 HydrophobicContact CB-CZ2 3.79Å; V1061-W1078 HydrophobicContact CG1-CZ2 3.88Å; V1061-W1078 HydrophobicContact CG2-CZ2 4.19Å; S1074-W1078 PolarHBondContact O-N 2.94Å; L1075-W1078 WeakPolarHBondContact O-CB 3.23Å; L1075-W1078 PolarHBondContact O-N 3.46Å; E1076-W1078 VanDerWaalsContact C-N 3.27Å; E1076-W1078 PolarHBondContact O-N 2.85Å; W1078-W1080 VanDerWaalsContact C-N 3.28Å; W1078-W1080 PolarHBondContact O-N 3.46Å; W1078-C1081 PolarHBondContact O-N 2.95Å; W1078-V1082 HydrophobicContact CE3-CG2 4.3Å; W1078-V1082 WeakPolarHBondContact O-CG2 3.39Å; W1078-V1082 PolarHBondContact O-N 3.06Å
1079	L	94.8	Very high	92.8	Very high	112 Å²	112	53.1 Å²	53.1	59%	0.586	27%	0.274	S	S	*	.	H	α-helix	trans	-62.3	-36.9	177.7	-73.3	169.9	0	0	0	111.6	L1075 E1076 V1082 F1083	L1075-L1079 HydrophobicContact CG-CD1 4.44Å; L1075-L1079 WeakPolarHBondContact O-CG 3.24Å; L1075-L1079 PolarHBondContact O-N 3.41Å; E1076-L1079 PolarHBondContact O-N 3.04Å; E1076-L1079 VanDerWaalsContact O-N 3.12Å; L1079-V1082 PolarHBondContact O-N 3.43Å; L1079-F1083 VanDerWaalsContact O-CB 3.23Å; L1079-F1083 WeakPolarHBondContact O-CB 3.4Å; L1079-F1083 PolarHBondContact O-N 3.37Å
1080	W	94.1	Very high	93.3	Very high	114 Å²	114	56.2 Å²	56.2	43%	0.432	29%	0.291	S	S	.	.	H	α-helix	trans	-64.8	-45.5	172.7	-77.9	112.2	0	0	0	113	F991 E1076 K1077 W1078 V1082 F1083 L1084	F991-W1080 HydrophobicContact CE1-CB 3.87Å; F991-W1080 AromaticContact CE1-CD1 3.72Å; F991-W1080 HydrophobicContact CE1-CD2 4.4Å; F991-W1080 AromaticContact CE1-CG 3.73Å; F991-W1080 HydrophobicContact CE1-CG 3.73Å; F991-W1080 HydrophobicContact CZ-CB 4.05Å; F991-W1080 HydrophobicContact CZ-CG 4.22Å; E1076-W1080 VanDerWaalsContact O-CD1 3.25Å; E1076-W1080 PolarHBondContact O-N 2.96Å; K1077-W1080 PolarHBondContact O-N 2.95Å; W1078-W1080 VanDerWaalsContact C-N 3.28Å; W1078-W1080 PolarHBondContact O-N 3.46Å; W1080-V1082 VanDerWaalsContact C-N 3.32Å; W1080-V1082 PolarHBondContact O-N 2.92Å; W1080-F1083 AromaticContact CE3-CD1 3.96Å; W1080-F1083 HydrophobicContact CE3-CD1 3.96Å; W1080-F1083 AromaticContact CZ3-CD1 3.9Å; W1080-F1083 HydrophobicContact CZ3-CD1 3.9Å; W1080-F1083 HydrophobicContact CZ3-CE1 4.11Å; W1080-F1083 PolarHBondContact O-N 3.23Å; W1080-L1084 WeakPolarHBondContact O-CG 3.37Å; W1080-L1084 PolarHBondContact O-N 3.24Å
1081	C	94.3	Very high	93.5	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.007	31%	0.308	C	S	.	.	H	α-helix	trans	-57.7	-44.2	174.7	-62.8	0	0	0	0	112	T1015 M1018 K1077 W1078 G1085	T1015-C1081 PolarHBondContact OG1-SG 3.4Å; M1018-C1081 HydrophobicContact CG-CB 4.44Å; K1077-C1081 PolarHBondContact O-N 2.94Å; K1077-C1081 PolarHBondContact O-SG 2.91Å; W1078-C1081 PolarHBondContact O-N 2.95Å; C1081-G1085 PolarHBondContact O-N 3.01Å; C1081-G1085 VanDerWaalsContact O-N 3.08Å
1082	V	95	Very high	93.6	Very high	33 Å²	33	57.1 Å²	57.1	20%	0.2	29%	0.292	C	S	.	.	H	α-helix	trans	-68.5	-39.1	177.9	173.8	0	0	0	0	111.6	M1018 F1054 W1078 L1079 W1080 G1085 L1086	M1018-V1082 HydrophobicContact CG-CG2 4.41Å; M1018-V1082 HydrophobicContact SD-CG2 4.04Å; F1054-V1082 HydrophobicContact CE2-CG2 4.41Å; W1078-V1082 HydrophobicContact CE3-CG2 4.3Å; W1078-V1082 WeakPolarHBondContact O-CG2 3.39Å; W1078-V1082 PolarHBondContact O-N 3.06Å; L1079-V1082 PolarHBondContact O-N 3.43Å; W1080-V1082 VanDerWaalsContact C-N 3.32Å; W1080-V1082 PolarHBondContact O-N 2.92Å; V1082-G1085 PolarHBondContact O-N 2.92Å; V1082-L1086 HydrophobicContact CG1-CD1 4.1Å; V1082-L1086 HydrophobicContact CG1-CG 4.4Å; V1082-L1086 WeakPolarHBondContact O-CG 3.39Å; V1082-L1086 PolarHBondContact O-N 3.44Å
1083	F	95.6	Very high	93.6	Very high	129 Å²	129	56.3 Å²	56.3	57%	0.566	28%	0.282	S	S	*	.	H	α-helix	trans	-63.1	-46.1	177.2	174.8	-100.6	0	0	0	112.3	L1079 W1080 G1085 L1086 G1087	L1079-F1083 VanDerWaalsContact O-CB 3.23Å; L1079-F1083 WeakPolarHBondContact O-CB 3.4Å; L1079-F1083 PolarHBondContact O-N 3.37Å; W1080-F1083 AromaticContact CE3-CD1 3.96Å; W1080-F1083 HydrophobicContact CE3-CD1 3.96Å; W1080-F1083 AromaticContact CZ3-CD1 3.9Å; W1080-F1083 HydrophobicContact CZ3-CD1 3.9Å; W1080-F1083 HydrophobicContact CZ3-CE1 4.11Å; W1080-F1083 PolarHBondContact O-N 3.23Å; F1083-G1085 VanDerWaalsContact C-N 3.3Å; F1083-G1085 PolarHBondContact O-N 3.32Å; F1083-L1086 PolarHBondContact O-N 2.99Å; F1083-G1087 PolarHBondContact O-N 3.49Å
1084	L	94.5	Very high	93.6	Very high	29 Å²	29	58.8 Å²	58.8	15%	0.152	30%	0.297	C	S	.	.	H	α-helix	trans	-62.9	-38.1	175.2	-68.2	177.1	0	0	0	111.7	Y975 L979 L983 T1015 W1080 G1087	Y975-L1084 PolarHBondContact OH-O 2.98Å; L979-L1084 HydrophobicContact CD1-CB 4.26Å; L979-L1084 HydrophobicContact CD1-CD2 4.18Å; L979-L1084 HydrophobicContact CD2-CD2 4.18Å; L983-L1084 HydrophobicContact CD1-CD1 4.23Å; L983-L1084 HydrophobicContact CD2-CD1 4.42Å; T1015-L1084 HydrophobicContact CG2-CB 3.79Å; T1015-L1084 HydrophobicContact CG2-CD1 3.89Å; W1080-L1084 WeakPolarHBondContact O-CG 3.37Å; W1080-L1084 PolarHBondContact O-N 3.24Å; L1084-G1087 PolarHBondContact O-N 3Å
1085	G	94.1	Very high	93.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-48.2	170.5	0	0	0	0	0	113.4	F1022 C1081 V1082 F1083 G1087 E1088	F1022-G1085 WeakPolarHBondContact CB-O 3.48Å; F1022-G1085 VanDerWaalsContact CD2-O 3.3Å; F1022-G1085 WeakPolarHBondContact CD2-O 3.45Å; C1081-G1085 PolarHBondContact O-N 3.01Å; C1081-G1085 VanDerWaalsContact O-N 3.08Å; V1082-G1085 PolarHBondContact O-N 2.92Å; F1083-G1085 VanDerWaalsContact C-N 3.3Å; F1083-G1085 PolarHBondContact O-N 3.32Å; G1085-G1087 PolarHBondContact O-N 3.24Å; G1085-E1088 WeakPolarHBondContact O-CB 3.43Å; G1085-E1088 PolarHBondContact O-N 2.98Å
1086	L	95.3	Very high	93.3	Very high	77 Å²	77	51.9 Å²	51.9	40%	0.403	26%	0.258	S	S	.	.	H	α-helix	trans	-60.9	-29.8	176.3	-76.5	168.9	0	0	0	112.3	F1022 V1082 F1083 E1088 L1089	F1022-L1086 HydrophobicContact CD1-CD2 4.14Å; F1022-L1086 HydrophobicContact CE1-CD2 3.51Å; F1022-L1086 HydrophobicContact CE1-CG 4.24Å; F1022-L1086 HydrophobicContact CE2-CD2 4.23Å; F1022-L1086 HydrophobicContact CE2-CG 4.05Å; F1022-L1086 HydrophobicContact CZ-CD2 3.55Å; F1022-L1086 HydrophobicContact CZ-CG 3.79Å; V1082-L1086 HydrophobicContact CG1-CD1 4.1Å; V1082-L1086 HydrophobicContact CG1-CG 4.4Å; V1082-L1086 WeakPolarHBondContact O-CG 3.39Å; V1082-L1086 PolarHBondContact O-N 3.44Å; F1083-L1086 PolarHBondContact O-N 2.99Å; L1086-E1088 PolarHBondContact O-N 2.91Å; L1086-L1089 HydrophobicContact CD2-CD1 4.05Å; L1086-L1089 WeakPolarHBondContact O-CB 3.17Å; L1086-L1089 PolarHBondContact O-N 3.43Å; L1086-L1089 VanDerWaalsContact O-N 3.11Å
1087	G	95.1	Very high	93	Very high	19 Å²	19	49.4 Å²	49.4	20%	0.196	25%	0.252	C	S	.	.	H	α-helix	trans	-58.3	-27.6	171.9	0	0	0	0	0	113.7	Y975 F1083 L1084 G1085 L1089 V1090 W1091	Y975-G1087 VanDerWaalsContact OH-C 3.25Å; Y975-G1087 VanDerWaalsContact OH-CA 3.27Å; Y975-G1087 WeakPolarHBondContact OH-CA 3.4Å; F1083-G1087 PolarHBondContact O-N 3.49Å; L1084-G1087 PolarHBondContact O-N 3Å; G1085-G1087 PolarHBondContact O-N 3.24Å; G1087-L1089 VanDerWaalsContact C-N 3.33Å; G1087-L1089 PolarHBondContact O-N 2.81Å; G1087-V1090 PolarHBondContact O-N 3Å; G1087-W1091 WeakPolarHBondContact O-CB 3.35Å; G1087-W1091 PolarHBondContact O-N 3.39Å
1088	E	93.8	Very high	92.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.8	-38.2	173.7	-168.5	72.1	-99.8	0	0	112.1	H972 Y975 Q976 F1022 N1023 N1026 G1085 L1086 V1090 W1091 G1092	H972-E1088 IonicContact CE1-OE1 3.94Å; H972-E1088 IonicContact CG-OE1 2.76Å; H972-E1088 IonicContact ND1-OE1 2.87Å; H972-E1088 PolarHBondContact ND1-OE1 3.3Å; Y975-E1088 WeakPolarHBondContact CD1-OE2 3.24Å; Y975-E1088 HydrophobicContact CE1-CB 4.13Å; Q976-E1088 WeakPolarHBondContact CG-OE2 3.34Å; Q976-E1088 PolarHBondContact NE2-OE2 2.92Å; F1022-E1088 HydrophobicContact CB-CB 4.22Å; N1023-E1088 HydrophobicContact CB-CG 4.02Å; N1026-E1088 PolarHBondContact ND2-O 3.16Å; G1085-E1088 WeakPolarHBondContact O-CB 3.43Å; G1085-E1088 PolarHBondContact O-N 2.98Å; L1086-E1088 PolarHBondContact O-N 2.91Å; E1088-V1090 VanDerWaalsContact C-N 3.34Å; E1088-W1091 PolarHBondContact O-N 3.19Å; E1088-G1092 PolarHBondContact O-N 2.69Å
1089	L	92.9	Very high	91.9	Very high	21 Å²	21	53.1 Å²	53.1	11%	0.11	28%	0.278	C	S	.	.	H	α-helix	trans	-64.8	-40.9	175.8	-60.6	179.9	0	0	0	111.3	F1022 I1025 F1037 L1086 G1087 Q1093	F1022-L1089 HydrophobicContact CB-CD2 3.97Å; F1022-L1089 HydrophobicContact CB-CG 3.99Å; F1022-L1089 HydrophobicContact CD1-CD1 3.75Å; F1022-L1089 HydrophobicContact CD1-CD2 4.28Å; F1022-L1089 HydrophobicContact CD1-CG 3.99Å; F1022-L1089 HydrophobicContact CE1-CD1 4.32Å; F1022-L1089 HydrophobicContact CG-CD1 4.47Å; F1022-L1089 HydrophobicContact CG-CG 4.27Å; F1022-L1089 VanDerWaalsContact O-CD2 3.26Å; F1022-L1089 WeakPolarHBondContact O-CD2 3.46Å; I1025-L1089 HydrophobicContact CB-CD2 4.16Å; I1025-L1089 HydrophobicContact CG2-CD2 4.27Å; F1037-L1089 HydrophobicContact CZ-CD1 4.05Å; L1086-L1089 HydrophobicContact CD2-CD1 4.05Å; L1086-L1089 WeakPolarHBondContact O-CB 3.17Å; L1086-L1089 PolarHBondContact O-N 3.43Å; L1086-L1089 VanDerWaalsContact O-N 3.11Å; G1087-L1089 VanDerWaalsContact C-N 3.33Å; G1087-L1089 PolarHBondContact O-N 2.81Å; L1089-Q1093 PolarHBondContact O-N 2.93Å
1090	V	93.1	Very high	90.9	Very high	99 Å²	99	50.7 Å²	50.7	60%	0.6	27%	0.266	S	S	*	.	H	α-helix	trans	-70.2	-43.4	178.5	-177.8	0	0	0	0	110.3	G1087 E1088 G1092 Q1093 V1094	G1087-V1090 PolarHBondContact O-N 3Å; E1088-V1090 VanDerWaalsContact C-N 3.34Å; V1090-G1092 VanDerWaalsContact C-N 3.33Å; V1090-G1092 PolarHBondContact O-N 3.44Å; V1090-Q1093 WeakPolarHBondContact O-CB 3.25Å; V1090-Q1093 PolarHBondContact O-N 3.31Å; V1090-Q1093 VanDerWaalsContact O-N 3.11Å; V1090-V1094 PolarHBondContact O-N 3.16Å
1091	W	94.3	Very high	89.5	Confident	96 Å²	96	49.1 Å²	49.1	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-64	-37.2	177.7	-167.6	-107.2	0	0	0	112.3	G971 Y975 G1087 E1088 Q1093 V1094 I1095	G971-W1091 PolarHBondContact O-NE1 2.97Å; G971-W1091 VanDerWaalsContact O-NE1 3.09Å; Y975-W1091 VanDerWaalsContact CB-CD1 3.43Å; Y975-W1091 HydrophobicContact CD2-CB 4.02Å; Y975-W1091 AromaticContact CD2-CD1 4Å; Y975-W1091 AromaticContact CD2-CD2 3.83Å; Y975-W1091 HydrophobicContact CD2-CD2 3.83Å; Y975-W1091 HydrophobicContact CD2-CE3 4.28Å; Y975-W1091 AromaticContact CD2-CG 3.68Å; Y975-W1091 HydrophobicContact CD2-CG 3.68Å; Y975-W1091 HydrophobicContact CE2-CB 4.21Å; Y975-W1091 HydrophobicContact CE2-CG 4.33Å; Y975-W1091 HydrophobicContact CG-CB 4.27Å; Y975-W1091 AromaticContact CG-CD1 3.77Å; Y975-W1091 HydrophobicContact CG-CD2 4.38Å; Y975-W1091 AromaticContact CG-CG 3.89Å; Y975-W1091 HydrophobicContact CG-CG 3.89Å; G1087-W1091 WeakPolarHBondContact O-CB 3.35Å; G1087-W1091 PolarHBondContact O-N 3.39Å; E1088-W1091 PolarHBondContact O-N 3.19Å; W1091-Q1093 VanDerWaalsContact C-N 3.27Å; W1091-Q1093 PolarHBondContact O-N 2.99Å; W1091-V1094 HydrophobicContact CE3-CB 4.46Å; W1091-V1094 HydrophobicContact CE3-CG2 4.39Å; W1091-V1094 WeakPolarHBondContact O-CA 3.48Å; W1091-V1094 WeakPolarHBondContact O-CB 3.3Å; W1091-V1094 PolarHBondContact O-N 3.39Å; W1091-I1095 WeakPolarHBondContact O-CG1 3.33Å; W1091-I1095 PolarHBondContact O-N 3.12Å
1092	G	91.6	Very high	88.1	Confident	4 Å²	4	56.2 Å²	56.2	4%	0.041	31%	0.305	C	S	.	.	H	α-helix	trans	-53	-41.7	169.9	0	0	0	0	0	113.2	E1088 V1090 V1094 I1095 V1096	E1088-G1092 PolarHBondContact O-N 2.69Å; V1090-G1092 VanDerWaalsContact C-N 3.33Å; V1090-G1092 PolarHBondContact O-N 3.44Å; G1092-V1094 PolarHBondContact O-N 3.03Å; G1092-I1095 PolarHBondContact O-N 3.01Å; G1092-V1096 WeakPolarHBondContact O-CG2 3.22Å; G1092-V1096 PolarHBondContact O-N 3.11Å
1093	Q	91.8	Very high	86.7	Confident	61 Å²	61	57.6 Å²	57.6	29%	0.285	31%	0.311	S	S	.	.	H	α-helix	trans	-64.5	-40.2	174.8	-59.6	-58.3	-49.1	0	0	112	R1034 L1089 V1090 W1091 V1096 T1097	R1034-Q1093 PolarHBondContact O-NE2 3.02Å; R1034-Q1093 PolarHBondContact O-OE1 3.42Å; L1089-Q1093 PolarHBondContact O-N 2.93Å; V1090-Q1093 WeakPolarHBondContact O-CB 3.25Å; V1090-Q1093 PolarHBondContact O-N 3.31Å; V1090-Q1093 VanDerWaalsContact O-N 3.11Å; W1091-Q1093 VanDerWaalsContact C-N 3.27Å; W1091-Q1093 PolarHBondContact O-N 2.99Å; Q1093-V1096 PolarHBondContact O-N 3.43Å; Q1093-T1097 WeakPolarHBondContact O-CG2 3.31Å; Q1093-T1097 PolarHBondContact O-N 2.99Å; Q1093-T1097 VanDerWaalsContact O-N 3.08Å
1094	V	91.3	Very high	84.8	Confident	59 Å²	59	61.6 Å²	61.6	36%	0.358	32%	0.322	S	S	.	.	H	α-helix	trans	-60.1	-48.9	175.1	-177.6	0	0	0	0	110.2	V1090 W1091 G1092 V1096 T1097 I1098	V1090-V1094 PolarHBondContact O-N 3.16Å; W1091-V1094 HydrophobicContact CE3-CB 4.46Å; W1091-V1094 HydrophobicContact CE3-CG2 4.39Å; W1091-V1094 WeakPolarHBondContact O-CA 3.48Å; W1091-V1094 WeakPolarHBondContact O-CB 3.3Å; W1091-V1094 PolarHBondContact O-N 3.39Å; G1092-V1094 PolarHBondContact O-N 3.03Å; V1094-V1096 VanDerWaalsContact C-N 3.28Å; V1094-V1096 PolarHBondContact O-N 3.36Å; V1094-T1097 PolarHBondContact O-N 3.41Å; V1094-T1097 PolarHBondContact O-OG1 3.25Å; V1094-I1098 PolarHBondContact O-N 3.32Å
1095	I	90.5	Very high	83.1	Confident	9 Å²	9	68.5 Å²	68.5	5%	0.046	35%	0.351	C	S	.	.	H	α-helix	trans	-57.2	-42.1	177.2	-62	162.5	0	0	0	110.9	K967 W1091 G1092 T1097 I1098	K967-I1095 HydrophobicContact CD-CG2 4.27Å; K967-I1095 HydrophobicContact CG-CG2 4.08Å; K967-I1095 PolarHBondContact NZ-O 3.45Å; W1091-I1095 WeakPolarHBondContact O-CG1 3.33Å; W1091-I1095 PolarHBondContact O-N 3.12Å; G1092-I1095 PolarHBondContact O-N 3.01Å; I1095-T1097 VanDerWaalsContact C-N 3.32Å; I1095-T1097 PolarHBondContact O-N 2.72Å; I1095-I1098 PolarHBondContact O-N 2.96Å
1096	V	87.6	Confident	81.2	Confident	34 Å²	34	69.5 Å²	69.5	21%	0.206	36%	0.357	C	S	.	.	H	α-helix	trans	-62.9	-35	177.2	170.5	0	0	0	0	112.3	G1032 R1034 G1092 Q1093 V1094 I1098	G1032-V1096 WeakPolarHBondContact O-CG1 3.49Å; R1034-V1096 HydrophobicContact CG-CG1 3.87Å; G1092-V1096 WeakPolarHBondContact O-CG2 3.22Å; G1092-V1096 PolarHBondContact O-N 3.11Å; Q1093-V1096 PolarHBondContact O-N 3.43Å; V1094-V1096 VanDerWaalsContact C-N 3.28Å; V1094-V1096 PolarHBondContact O-N 3.36Å; V1096-I1098 VanDerWaalsContact C-N 3.31Å; V1096-I1098 PolarHBondContact O-N 3.22Å
1097	T	87.6	Confident	79.1	Confident	79 Å²	79	74 Å²	74	49%	0.485	37%	0.368	S	S	.	.	H	α-helix	trans	-67.4	-26.1	177.5	64.4	0	0	0	0	114.6	Q1093 V1094 I1095 P1099	Q1093-T1097 WeakPolarHBondContact O-CG2 3.31Å; Q1093-T1097 PolarHBondContact O-N 2.99Å; Q1093-T1097 VanDerWaalsContact O-N 3.08Å; V1094-T1097 PolarHBondContact O-N 3.41Å; V1094-T1097 PolarHBondContact O-OG1 3.25Å; I1095-T1097 VanDerWaalsContact C-N 3.32Å; I1095-T1097 PolarHBondContact O-N 2.72Å; T1097-P1099 VanDerWaalsContact O-CD 3.29Å; T1097-P1099 WeakPolarHBondContact O-CD 3.24Å
1098	I	84.6	Confident	76.6	Confident	74 Å²	74	82.2 Å²	82.2	38%	0.379	39%	0.393	S	S	.	.	S	Bend	trans	-79	114.6	-178.3	-58.6	170.1	0	0	0	109.6	K967 V1094 I1095 V1096 L1103	K967-I1098 PolarHBondContact NZ-O 2.95Å; V1094-I1098 PolarHBondContact O-N 3.32Å; I1095-I1098 PolarHBondContact O-N 2.96Å; V1096-I1098 VanDerWaalsContact C-N 3.31Å; V1096-I1098 PolarHBondContact O-N 3.22Å; I1098-L1103 HydrophobicContact CG2-CD1 3.98Å; I1098-L1103 HydrophobicContact CG2-CG 4.45Å
1099	P	78.4	Confident	74.2	Confident	65 Å²	65	84.1 Å²	84.1	42%	0.422	41%	0.409	S	S	.	.			trans	-80.3	147.5	-178.7	33	-33.8	0	0	0	111.4	T1097 S1101 H1102	T1097-P1099 VanDerWaalsContact O-CD 3.29Å; T1097-P1099 WeakPolarHBondContact O-CD 3.24Å; P1099-S1101 PolarHBondContact O-N 3.35Å; P1099-H1102 PolarHBondContact O-N 3.46Å
1100	N	73	Confident	71.7	Confident	62 Å²	62	83.9 Å²	83.9	33%	0.332	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-14.7	-176	-63.2	-9.6	0	0	0	114.1	T964 H1102 L1103	T964-N1100 PolarHBondContact OG1-ND2 3.07Å; N1100-H1102 PolarHBondContact O-N 3.24Å; N1100-L1103 PolarHBondContact O-N 3.32Å
1101	S	65.9	Low	69.2	Low	81 Å²	81	84.3 Å²	84.3	57%	0.566	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-32.6	178.1	48.4	0	0	0	0	114	P1099	P1099-S1101 PolarHBondContact O-N 3.35Å
1102	H	63.5	Low	66.4	Low	150 Å²	150	85.2 Å²	85.2	69%	0.694	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-24.4	178.6	-65.8	-67.4	0	0	0	112.6	P1099 N1100 R1104	P1099-H1102 PolarHBondContact O-N 3.46Å; N1100-H1102 PolarHBondContact O-N 3.24Å; H1102-R1104 VanDerWaalsContact C-N 3.35Å; H1102-R1104 PolarHBondContact O-N 3.47Å; H1102-R1104 VanDerWaalsContact O-N 3.16Å
1103	L	66.2	Low	63.9	Low	61 Å²	61	89.2 Å²	89.2	32%	0.319	44%	0.442	S	S	.	.			trans	-93	57.1	-175.5	-65	166.2	0	0	0	112	K967 I1098 N1100 F1105 L1106 R1107	K967-L1103 HydrophobicContact CD-CD1 3.83Å; K967-L1103 HydrophobicContact CG-CD1 3.83Å; I1098-L1103 HydrophobicContact CG2-CD1 3.98Å; I1098-L1103 HydrophobicContact CG2-CG 4.45Å; N1100-L1103 PolarHBondContact O-N 3.32Å; L1103-F1105 PolarHBondContact O-N 3.12Å; L1103-F1105 VanDerWaalsContact O-N 3.13Å; L1103-L1106 HydrophobicContact CB-CB 4.31Å; L1103-L1106 HydrophobicContact CB-CD1 4.04Å; L1103-L1106 HydrophobicContact CB-CG 4.2Å; L1103-L1106 HydrophobicContact CD1-CD1 3.94Å; L1103-L1106 HydrophobicContact CD2-CD1 4.45Å; L1103-L1106 HydrophobicContact CG-CD1 4.36Å; L1103-L1106 PolarHBondContact O-N 3.43Å; L1103-R1107 PolarHBondContact O-N 2.96Å
1104	R	56.1	Low	61.2	Low	213 Å²	213	92.6 Å²	92.6	80%	0.804	46%	0.457	S	S	*	.	H	α-helix	trans	-55.4	-31.9	-177.1	-66.4	-173	-175.1	-177.2	3.2	113.7	H1102 R1107	H1102-R1104 VanDerWaalsContact C-N 3.35Å; H1102-R1104 PolarHBondContact O-N 3.47Å; H1102-R1104 VanDerWaalsContact O-N 3.16Å; R1104-R1107 WeakPolarHBondContact O-CB 3.24Å; R1104-R1107 PolarHBondContact O-N 3.43Å
1105	F	58.1	Low	58.4	Low	174 Å²	174	98.1 Å²	98.1	76%	0.763	48%	0.476	S	S	*	.	H	α-helix	trans	-63.3	-44.4	175.8	-179.7	-103.5	0	0	0	112.4	L1103 R1107 R1108 A1109	L1103-F1105 PolarHBondContact O-N 3.12Å; L1103-F1105 VanDerWaalsContact O-N 3.13Å; F1105-R1107 VanDerWaalsContact C-N 3.29Å; F1105-R1107 PolarHBondContact O-N 3.14Å; F1105-R1108 WeakPolarHBondContact O-CB 3.31Å; F1105-R1108 PolarHBondContact O-N 3.09Å; F1105-R1108 VanDerWaalsContact O-N 3.08Å; F1105-A1109 PolarHBondContact O-N 3.47Å
1106	L	55.3	Low	55.6	Low	22 Å²	22	104.7 Å²	104.7	12%	0.115	51%	0.512	C	S	.	.	H	α-helix	trans	-68.5	-27.8	179.1	-61.2	-174.8	0	0	0	113	K967 L970 L1103 R1108 A1109 G1110	K967-L1106 HydrophobicContact CB-CD1 4.27Å; L970-L1106 HydrophobicContact CD1-CD2 3.56Å; L1103-L1106 HydrophobicContact CB-CB 4.31Å; L1103-L1106 HydrophobicContact CB-CD1 4.04Å; L1103-L1106 HydrophobicContact CB-CG 4.2Å; L1103-L1106 HydrophobicContact CD1-CD1 3.94Å; L1103-L1106 HydrophobicContact CD2-CD1 4.45Å; L1103-L1106 HydrophobicContact CG-CD1 4.36Å; L1103-L1106 PolarHBondContact O-N 3.43Å; L1106-R1108 PolarHBondContact O-N 3.18Å; L1106-A1109 PolarHBondContact O-N 2.94Å; L1106-G1110 PolarHBondContact O-N 2.9Å
1107	R	50.6	Low	53.1	Low	172 Å²	172	109.4 Å²	109.4	65%	0.649	53%	0.532	S	S	*	.	H	α-helix	trans	-60.3	-33.4	172.2	-159.1	176.6	-172.1	-179.8	2.1	111.5	L1103 R1104 F1105 Q1111	L1103-R1107 PolarHBondContact O-N 2.96Å; R1104-R1107 WeakPolarHBondContact O-CB 3.24Å; R1104-R1107 PolarHBondContact O-N 3.43Å; F1105-R1107 VanDerWaalsContact C-N 3.29Å; F1105-R1107 PolarHBondContact O-N 3.14Å; R1107-Q1111 VanDerWaalsContact O-CG 3.25Å; R1107-Q1111 WeakPolarHBondContact O-CG 3.34Å; R1107-Q1111 PolarHBondContact O-OE1 3.42Å
1108	R	42.5	Very low	50.3	Low	191 Å²	191	113.1 Å²	113.1	72%	0.721	55%	0.548	S	S	*	.	H	α-helix	trans	-76.3	-39.6	174.7	-136.4	177.2	-160.5	173.8	4.6	112	F1105 L1106 G1110 Q1111 L1112	F1105-R1108 WeakPolarHBondContact O-CB 3.31Å; F1105-R1108 PolarHBondContact O-N 3.09Å; F1105-R1108 VanDerWaalsContact O-N 3.08Å; L1106-R1108 PolarHBondContact O-N 3.18Å; R1108-G1110 PolarHBondContact O-N 3.38Å; R1108-Q1111 CarbonylContact O-C 3.34Å; R1108-Q1111 WeakPolarHBondContact O-CA 3.47Å; R1108-Q1111 PolarHBondContact O-N 3.31Å; R1108-L1112 PolarHBondContact O-N 2.83Å
1109	A	43.3	Very low	47.7	Very low	40 Å²	40	114.9 Å²	114.9	33%	0.331	56%	0.564	S	S	.	*	H	α-helix	trans	-60.3	-45.4	176.9	0	0	0	0	0	112.3	F1105 L1106 Q1111 L1112	F1105-A1109 PolarHBondContact O-N 3.47Å; L1106-A1109 PolarHBondContact O-N 2.94Å; A1109-Q1111 PolarHBondContact O-N 2.86Å; A1109-L1112 PolarHBondContact O-N 3.27Å
1110	G	40.9	Very low	45.6	Very low	15 Å²	15	120.9 Å²	120.9	16%	0.155	59%	0.586	C	S	.	*	T	Hydrogen-bonded Turn	trans	-72.7	-1.7	173.4	0	0	0	0	0	115.3	L1106 R1108	L1106-G1110 PolarHBondContact O-N 2.9Å; R1108-G1110 PolarHBondContact O-N 3.38Å
1111	Q	39.3	Very low	43.6	Very low	108 Å²	108	125.9 Å²	125.9	51%	0.505	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.3	-4	174.4	-76.6	-180	-42.9	0	0	112.9	R1107 R1108 A1109 T1113 H1114	R1107-Q1111 VanDerWaalsContact O-CG 3.25Å; R1107-Q1111 WeakPolarHBondContact O-CG 3.34Å; R1107-Q1111 PolarHBondContact O-OE1 3.42Å; R1108-Q1111 CarbonylContact O-C 3.34Å; R1108-Q1111 WeakPolarHBondContact O-CA 3.47Å; R1108-Q1111 PolarHBondContact O-N 3.31Å; A1109-Q1111 PolarHBondContact O-N 2.86Å; Q1111-T1113 PolarHBondContact O-N 2.85Å; Q1111-H1114 VanDerWaalsContact O-CB 3.28Å; Q1111-H1114 WeakPolarHBondContact O-CB 3.21Å; Q1111-H1114 PolarHBondContact O-N 3.46Å
1112	L	36.1	Very low	41.8	Very low	116 Å²	116	129.4 Å²	129.4	61%	0.607	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-62.3	-27.8	179.2	-84.7	166.4	0	0	0	112.4	R1108 A1109 H1114 K1115	R1108-L1112 PolarHBondContact O-N 2.83Å; A1109-L1112 PolarHBondContact O-N 3.27Å; L1112-H1114 PolarHBondContact O-N 3.49Å; L1112-K1115 PolarHBondContact O-N 3.07Å
1113	T	38.5	Very low	40.2	Very low	87 Å²	87	127.2 Å²	127.2	53%	0.534	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-66.8	-10.4	172.1	49.6	0	0	0	0	114.7	Q1111	Q1111-T1113 PolarHBondContact O-N 2.85Å
1114	H	37	Very low	38.5	Very low	133 Å²	133	132.1 Å²	132.1	62%	0.616	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-99.6	-2.8	-176.7	-150.2	-41.4	0	0	0	112.9	Q1111 L1112	Q1111-H1114 VanDerWaalsContact O-CB 3.28Å; Q1111-H1114 WeakPolarHBondContact O-CB 3.21Å; Q1111-H1114 PolarHBondContact O-N 3.46Å; L1112-H1114 PolarHBondContact O-N 3.49Å
1115	K	30.5	Very low	37.3	Very low	174 Å²	174	131 Å²	131	76%	0.757	65%	0.647	S	S	*	*	S	Bend	trans	-102.3	-7.5	-175	-103.1	-162.5	167.2	-145.3	0	115.4	L1112	L1112-K1115 PolarHBondContact O-N 3.07Å
1116	D	33.4	Very low	35.7	Very low	147 Å²	147	131.2 Å²	131.2	79%	0.786	65%	0.651	S	S	*	*	S	Bend	trans	-99.6	9.4	172.2	-61.8	-22.7	0	0	0	111.9
1117	E	34.2	Very low	34.6	Very low	134 Å²	134	137 Å²	137	63%	0.626	68%	0.682	S	S	*	*			trans	-94.8	107.1	166	-75.8	171	177	0	0	107.5
1118	L	29.9	Very low	33.9	Very low	157 Å²	157	138.2 Å²	138.2	82%	0.822	70%	0.695	S	S	*	*			trans	-61	154.3	167.5	-73.8	157.7	0	0	0	109.5	E1120	L1118-E1120 PolarHBondContact O-N 2.82Å
1119	P	29.3	Very low	33.5	Very low	110 Å²	110	137.6 Å²	137.6	71%	0.714	70%	0.7	S	S	*	*			trans	-59.2	134	177	-20.1	32.4	0	0	0	111.6	E1121	P1119-E1121 PolarHBondContact O-N 3.42Å
1120	E	35.1	Very low	33.2	Very low	191 Å²	191	143.7 Å²	143.7	89%	0.893	73%	0.726	S	S	*	*	S	Bend	trans	-79.1	38.4	177.5	-66.8	-172	135.2	0	0	113.2	L1118	L1118-E1120 PolarHBondContact O-N 2.82Å
1121	E	30.9	Very low	33.1	Very low	168 Å²	168	146 Å²	146	79%	0.785	74%	0.735	S	S	*	*	S	Bend	trans	-119.7	101.6	170.3	-69.7	-175.3	160	0	0	107.5	P1119	P1119-E1121 PolarHBondContact O-N 3.42Å
1122	D	27.5	Very low	33	Very low	155 Å²	155	148 Å²	148	83%	0.829	74%	0.743	S	S	*	*	S	Bend	trans	140.2	-1.2	166.8	-74.2	-17.9	0	0	0	114.6	N1124	D1122-N1124 PolarHBondContact O-N 3.2Å
1123	V	30.1	Very low	33.1	Very low	104 Å²	104	146.4 Å²	146.4	63%	0.63	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	9.7	-171.6	-158.1	0	0	0	0	115.4
1124	N	30.9	Very low	33.1	Very low	163 Å²	163	147.4 Å²	147.4	87%	0.872	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	-5.3	-170.1	-99.6	-4.2	0	0	0	117.4	D1122	D1122-N1124 PolarHBondContact O-N 3.2Å
1125	E	29.1	Very low	33.4	Very low	190 Å²	190	148.4 Å²	148.4	89%	0.888	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.1	-10.6	-179.9	-68.6	-166.5	152	0	0	117.2
1126	E	25.6	Very low	34	Very low	179 Å²	179	145.5 Å²	145.5	84%	0.836	73%	0.733	S	S	*	*			trans	-107.9	31.4	-176.1	-66.1	-163.1	153.3	0	0	116.1
1127	N	32.4	Very low	34.3	Very low	144 Å²	144	144.3 Å²	144.3	77%	0.77	73%	0.726	S	S	*	*			trans	-92.9	13.8	-175.1	-110.8	-36.8	0	0	0	116.3
1128	E	35.5	Very low	34.7	Very low	196 Å²	196	144.8 Å²	144.8	92%	0.916	72%	0.722	S	S	*	*	S	Bend	trans	-112.3	-17.8	177.5	-70	-157	139	0	0	116.1
1129	E	33.3	Very low	35.2	Very low	179 Å²	179	145 Å²	145	84%	0.836	71%	0.712	S	S	*	*	S	Bend	trans	-137.8	60.9	-174.2	-65.9	-164.1	153.9	0	0	116.1
1130	I	38.1	Very low	35.7	Very low	168 Å²	168	141.6 Å²	141.6	86%	0.862	70%	0.697	S	S	*	*			trans	-160.5	88.4	146.3	-80.2	122.8	0	0	0	108.2
1131	D	38	Very low	36	Very low	64 Å²	64	138 Å²	138	34%	0.342	68%	0.68	S	S	.	*			trans	-161	56.5	161.8	-172.4	18.1	0	0	0	112.2	R1135	D1131-R1135 VanDerWaalsContact O-CD 3.32Å; D1131-R1135 WeakPolarHBondContact O-CD 3.44Å; D1131-R1135 WeakPolarHBondContact OD1-CG 3.43Å; D1131-R1135 PolarHBondContact OD1-N 2.9Å; D1131-R1135 IonicContact OD1-NE 3.96Å; D1131-R1135 IonicContact OD2-CZ 3.25Å; D1131-R1135 VanDerWaalsContact OD2-CZ 3.25Å; D1131-R1135 IonicContact OD2-NE 2.7Å; D1131-R1135 PolarHBondContact OD2-NE 3.39Å; D1131-R1135 IonicContact OD2-NH2 3.03Å; D1131-R1135 PolarHBondContact OD2-NH2 2.97Å
1132	H	37	Very low	36.6	Very low	149 Å²	149	134.5 Å²	134.5	69%	0.69	67%	0.665	S	S	*	*	S	Bend	trans	-106.9	-39	166.3	-135.9	-68.5	0	0	0	112	E1136	H1132-E1136 WeakPolarHBondContact O-CG 3.46Å; H1132-E1136 PolarHBondContact O-N 3.26Å; H1132-E1136 VanDerWaalsContact O-N 3.13Å
1133	A	38.4	Very low	37.3	Very low	83 Å²	83	132.8 Å²	132.8	69%	0.686	66%	0.656	S	S	*	*	H	α-helix	trans	-75.1	-37.1	178.7	0	0	0	0	0	113.5	E1136 L1137	A1133-E1136 PolarHBondContact O-N 3.42Å; A1133-L1137 PolarHBondContact O-N 2.93Å
1134	E	39.7	Very low	37.8	Very low	107 Å²	107	136.3 Å²	136.3	50%	0.5	66%	0.658	S	S	.	*	H	α-helix	trans	-75.4	-36	178.6	-150	-171	134.8	0	0	111.6	E1136 L1137 R1138	E1134-E1136 VanDerWaalsContact C-N 3.35Å; E1134-E1136 PolarHBondContact O-N 2.9Å; E1134-L1137 PolarHBondContact O-N 2.98Å; E1134-R1138 WeakPolarHBondContact O-CB 3.39Å; E1134-R1138 WeakPolarHBondContact O-CG 3.28Å; E1134-R1138 PolarHBondContact O-N 2.84Å; E1134-R1138 IonicContact OE1-CZ 2.77Å; E1134-R1138 IonicContact OE1-NE 3.98Å; E1134-R1138 PolarHBondContact OE1-NE 3.43Å; E1134-R1138 IonicContact OE1-NH2 3.12Å; E1134-R1138 PolarHBondContact OE1-NH2 2.92Å
1135	R	43.1	Very low	38.3	Very low	155 Å²	155	134.6 Å²	134.6	59%	0.585	64%	0.643	S	S	*	*	H	α-helix	trans	-55.9	-40.9	163.6	-91.9	176.5	-151.3	173.7	12.3	114.4	D1131 R1139	D1131-R1135 VanDerWaalsContact O-CD 3.32Å; D1131-R1135 WeakPolarHBondContact O-CD 3.44Å; D1131-R1135 WeakPolarHBondContact OD1-CG 3.43Å; D1131-R1135 PolarHBondContact OD1-N 2.9Å; D1131-R1135 IonicContact OD1-NE 3.96Å; D1131-R1135 IonicContact OD2-CZ 3.25Å; D1131-R1135 VanDerWaalsContact OD2-CZ 3.25Å; D1131-R1135 IonicContact OD2-NE 2.7Å; D1131-R1135 PolarHBondContact OD2-NE 3.39Å; D1131-R1135 IonicContact OD2-NH2 3.03Å; D1131-R1135 PolarHBondContact OD2-NH2 2.97Å; R1135-R1139 VanDerWaalsContact O-CB 3.28Å; R1135-R1139 WeakPolarHBondContact O-CB 3.44Å; R1135-R1139 WeakPolarHBondContact O-CG 3.43Å; R1135-R1139 PolarHBondContact O-N 2.89Å
1136	E	42.1	Very low	38.9	Very low	113 Å²	113	134.2 Å²	134.2	53%	0.528	63%	0.633	S	S	.	*	H	α-helix	trans	-64.8	-43.8	175.2	-73.2	-93.6	115.9	0	0	111	H1132 A1133 E1134 R1138 R1139 G1140	H1132-E1136 WeakPolarHBondContact O-CG 3.46Å; H1132-E1136 PolarHBondContact O-N 3.26Å; H1132-E1136 VanDerWaalsContact O-N 3.13Å; A1133-E1136 PolarHBondContact O-N 3.42Å; E1134-E1136 VanDerWaalsContact C-N 3.35Å; E1134-E1136 PolarHBondContact O-N 2.9Å; E1136-R1138 PolarHBondContact O-N 3.42Å; E1136-R1139 WeakPolarHBondContact O-CB 3.4Å; E1136-R1139 PolarHBondContact O-N 2.94Å; E1136-G1140 PolarHBondContact O-N 2.97Å
1137	L	39.8	Very low	39.7	Very low	121 Å²	121	127.2 Å²	127.2	63%	0.634	61%	0.609	S	S	*	*	H	α-helix	trans	-64	-42.4	177	-148.2	84.5	0	0	0	112.1	A1133 E1134 G1140 Q1141	A1133-L1137 PolarHBondContact O-N 2.93Å; E1134-L1137 PolarHBondContact O-N 2.98Å; L1137-G1140 PolarHBondContact O-N 3.49Å; L1137-Q1141 PolarHBondContact O-N 3.34Å
1138	R	43	Very low	40.3	Very low	144 Å²	144	124 Å²	124	54%	0.543	59%	0.591	S	S	.	*	H	α-helix	trans	-68.2	-34.6	173.7	-69.8	-176.3	-169.5	-163.3	7.9	112	E1134 E1136 Q1141 I1142	E1134-R1138 WeakPolarHBondContact O-CB 3.39Å; E1134-R1138 WeakPolarHBondContact O-CG 3.28Å; E1134-R1138 PolarHBondContact O-N 2.84Å; E1134-R1138 IonicContact OE1-CZ 2.77Å; E1134-R1138 IonicContact OE1-NE 3.98Å; E1134-R1138 PolarHBondContact OE1-NE 3.43Å; E1134-R1138 IonicContact OE1-NH2 3.12Å; E1134-R1138 PolarHBondContact OE1-NH2 2.92Å; E1136-R1138 PolarHBondContact O-N 3.42Å; R1138-Q1141 PolarHBondContact O-N 2.93Å; R1138-I1142 WeakPolarHBondContact O-CB 3.5Å; R1138-I1142 WeakPolarHBondContact O-CD1 3.32Å; R1138-I1142 WeakPolarHBondContact O-CG1 3.33Å; R1138-I1142 PolarHBondContact O-N 3.37Å
1139	R	39.6	Very low	40.6	Very low	163 Å²	163	118.9 Å²	118.9	62%	0.615	57%	0.57	S	S	*	*	H	α-helix	trans	-62.6	-41.7	170	-88.6	-179.3	166.3	-172	-3.7	111.4	R1135 E1136 I1142 L1143	R1135-R1139 VanDerWaalsContact O-CB 3.28Å; R1135-R1139 WeakPolarHBondContact O-CB 3.44Å; R1135-R1139 WeakPolarHBondContact O-CG 3.43Å; R1135-R1139 PolarHBondContact O-N 2.89Å; E1136-R1139 WeakPolarHBondContact O-CB 3.4Å; E1136-R1139 PolarHBondContact O-N 2.94Å; R1139-I1142 PolarHBondContact O-N 2.99Å; R1139-L1143 VanDerWaalsContact O-CB 3.3Å; R1139-L1143 WeakPolarHBondContact O-CB 3.32Å; R1139-L1143 WeakPolarHBondContact O-CG 3.06Å; R1139-L1143 PolarHBondContact O-N 2.7Å
1140	G	40.3	Very low	41	Very low	38 Å²	38	119.1 Å²	119.1	39%	0.392	56%	0.564	S	S	.	*	H	α-helix	trans	-59.5	-45.6	173.1	0	0	0	0	0	112.4	E1136 L1137 L1143 W1144	E1136-G1140 PolarHBondContact O-N 2.97Å; L1137-G1140 PolarHBondContact O-N 3.49Å; G1140-L1143 PolarHBondContact O-N 3.03Å; G1140-W1144 WeakPolarHBondContact O-CB 3.3Å; G1140-W1144 PolarHBondContact O-N 3.06Å
1141	Q	41	Very low	41.5	Very low	115 Å²	115	115.8 Å²	115.8	54%	0.537	55%	0.546	S	S	.	.	H	α-helix	trans	-66	-39.5	175	-71.5	177.6	-14.3	0	0	112.8	L1137 R1138 W1144 F1145	L1137-Q1141 PolarHBondContact O-N 3.34Å; R1138-Q1141 PolarHBondContact O-N 2.93Å; Q1141-W1144 PolarHBondContact O-N 3.12Å; Q1141-F1145 WeakPolarHBondContact O-CD2 3.39Å; Q1141-F1145 PolarHBondContact O-N 3.11Å
1142	I	44.9	Very low	41.6	Very low	94 Å²	94	118.3 Å²	118.3	48%	0.482	56%	0.556	S	S	.	*	H	α-helix	trans	-69.6	-33.3	176.2	-70.1	162.7	0	0	0	111.4	R1138 R1139 R1146	R1138-I1142 WeakPolarHBondContact O-CB 3.5Å; R1138-I1142 WeakPolarHBondContact O-CD1 3.32Å; R1138-I1142 WeakPolarHBondContact O-CG1 3.33Å; R1138-I1142 PolarHBondContact O-N 3.37Å; R1139-I1142 PolarHBondContact O-N 2.99Å; I1142-R1146 VanDerWaalsContact O-CB 3.26Å; I1142-R1146 WeakPolarHBondContact O-CB 3.26Å; I1142-R1146 WeakPolarHBondContact O-CG 3.45Å; I1142-R1146 PolarHBondContact O-N 3.29Å
1143	L	41.6	Very low	41.9	Very low	119 Å²	119	114.5 Å²	114.5	62%	0.623	54%	0.544	S	S	*	.	H	α-helix	trans	-67.8	-36.9	170.9	-81	162.1	0	0	0	111.5	R1139 G1140 R1146 G1147	R1139-L1143 VanDerWaalsContact O-CB 3.3Å; R1139-L1143 WeakPolarHBondContact O-CB 3.32Å; R1139-L1143 WeakPolarHBondContact O-CG 3.06Å; R1139-L1143 PolarHBondContact O-N 2.7Å; G1140-L1143 PolarHBondContact O-N 3.03Å; L1143-R1146 PolarHBondContact O-N 3Å; L1143-G1147 PolarHBondContact O-N 3.49Å
1144	W	40.4	Very low	42	Very low	178 Å²	178	115.7 Å²	115.7	67%	0.674	54%	0.535	S	S	*	.	H	α-helix	trans	-68.8	-43.9	174.4	-162.9	75.5	0	0	0	112.1	G1140 Q1141 R1146 G1147 L1148	G1140-W1144 WeakPolarHBondContact O-CB 3.3Å; G1140-W1144 PolarHBondContact O-N 3.06Å; Q1141-W1144 PolarHBondContact O-N 3.12Å; W1144-R1146 VanDerWaalsContact C-N 3.35Å; W1144-R1146 PolarHBondContact O-N 2.86Å; W1144-G1147 PolarHBondContact O-N 2.78Å; W1144-G1147 VanDerWaalsContact O-N 3.17Å; W1144-L1148 HydrophobicContact CD2-CD1 4.08Å; W1144-L1148 HydrophobicContact CE3-CD1 3.6Å; W1144-L1148 HydrophobicContact CH2-CD1 3.67Å; W1144-L1148 HydrophobicContact CZ2-CD1 4.13Å; W1144-L1148 HydrophobicContact CZ3-CD1 3.38Å; W1144-L1148 PolarHBondContact O-N 3.28Å
1145	F	41.3	Very low	42.3	Very low	128 Å²	128	116.7 Å²	116.7	56%	0.561	54%	0.541	S	S	*	.	H	α-helix	trans	-63.2	-36.7	170.8	-93.6	-78.2	0	0	0	112.7	Q1141 L1148 N1149	Q1141-F1145 WeakPolarHBondContact O-CD2 3.39Å; Q1141-F1145 PolarHBondContact O-N 3.11Å; F1145-L1148 PolarHBondContact O-N 2.96Å; F1145-N1149 WeakPolarHBondContact O-CB 3.36Å; F1145-N1149 PolarHBondContact O-N 3.47Å; F1145-N1149 PolarHBondContact O-OD1 3.03Å
1146	R	42.8	Very low	42.3	Very low	181 Å²	181	114 Å²	114	68%	0.683	54%	0.538	S	S	*	.	H	α-helix	trans	-68.5	-33.5	171.6	-83	178.5	150	162	-6.7	112.6	I1142 L1143 W1144 R1150	I1142-R1146 VanDerWaalsContact O-CB 3.26Å; I1142-R1146 WeakPolarHBondContact O-CB 3.26Å; I1142-R1146 WeakPolarHBondContact O-CG 3.45Å; I1142-R1146 PolarHBondContact O-N 3.29Å; L1143-R1146 PolarHBondContact O-N 3Å; W1144-R1146 VanDerWaalsContact C-N 3.35Å; W1144-R1146 PolarHBondContact O-N 2.86Å; R1146-R1150 VanDerWaalsContact O-CB 3.25Å; R1146-R1150 WeakPolarHBondContact O-CB 3.36Å; R1146-R1150 PolarHBondContact O-N 3.36Å
1147	G	42.3	Very low	42.5	Very low	32 Å²	32	113.5 Å²	113.5	33%	0.33	54%	0.536	S	S	.	.	H	α-helix	trans	-64.4	-46	171.6	0	0	0	0	0	112	L1143 W1144 R1150 I1151	L1143-G1147 PolarHBondContact O-N 3.49Å; W1144-G1147 PolarHBondContact O-N 2.78Å; W1144-G1147 VanDerWaalsContact O-N 3.17Å; G1147-R1150 PolarHBondContact O-N 3.28Å; G1147-I1151 WeakPolarHBondContact O-CG1 3.18Å; G1147-I1151 PolarHBondContact O-N 2.86Å
1148	L	43.3	Very low	42.7	Very low	76 Å²	76	114 Å²	114	40%	0.398	54%	0.535	S	S	.	.	H	α-helix	trans	-61.1	-47.5	173.1	-89.1	159.8	0	0	0	112.3	W1144 F1145 R1150 I1151 Q1152	W1144-L1148 HydrophobicContact CD2-CD1 4.08Å; W1144-L1148 HydrophobicContact CE3-CD1 3.6Å; W1144-L1148 HydrophobicContact CH2-CD1 3.67Å; W1144-L1148 HydrophobicContact CZ2-CD1 4.13Å; W1144-L1148 HydrophobicContact CZ3-CD1 3.38Å; W1144-L1148 PolarHBondContact O-N 3.28Å; F1145-L1148 PolarHBondContact O-N 2.96Å; L1148-R1150 VanDerWaalsContact C-N 3.28Å; L1148-R1150 PolarHBondContact O-N 3.48Å; L1148-I1151 PolarHBondContact O-N 2.96Å; L1148-Q1152 WeakPolarHBondContact O-CB 3.43Å; L1148-Q1152 PolarHBondContact O-N 3.07Å
1149	N	41.6	Very low	42.8	Very low	89 Å²	89	110.4 Å²	110.4	48%	0.476	53%	0.532	S	S	.	.	H	α-helix	trans	-61.6	-36.8	175	-79	25.1	0	0	0	111.6	F1145 Q1152 T1153	F1145-N1149 WeakPolarHBondContact O-CB 3.36Å; F1145-N1149 PolarHBondContact O-N 3.47Å; F1145-N1149 PolarHBondContact O-OD1 3.03Å; N1149-Q1152 CarbonylContact O-C 3.55Å; N1149-Q1152 WeakPolarHBondContact O-CB 3.29Å; N1149-Q1152 PolarHBondContact O-N 3.38Å; N1149-T1153 PolarHBondContact O-N 3.32Å; N1149-T1153 PolarHBondContact O-OG1 3.36Å
1150	R	41.8	Very low	43.1	Very low	185 Å²	185	108.3 Å²	108.3	70%	0.698	53%	0.529	S	S	*	.	H	α-helix	trans	-68.6	-37.1	177.9	-160.4	175.6	-164.6	177.5	4.7	112.4	R1146 G1147 L1148 Q1152 T1153 Q1154	R1146-R1150 VanDerWaalsContact O-CB 3.25Å; R1146-R1150 WeakPolarHBondContact O-CB 3.36Å; R1146-R1150 PolarHBondContact O-N 3.36Å; G1147-R1150 PolarHBondContact O-N 3.28Å; L1148-R1150 VanDerWaalsContact C-N 3.28Å; L1148-R1150 PolarHBondContact O-N 3.48Å; R1150-Q1152 VanDerWaalsContact C-N 3.33Å; R1150-T1153 PolarHBondContact O-N 2.82Å; R1150-Q1154 WeakPolarHBondContact O-CG 3.45Å; R1150-Q1154 PolarHBondContact O-N 3.37Å
1151	I	48.6	Very low	43.3	Very low	97 Å²	97	112 Å²	112	50%	0.497	54%	0.539	S	S	.	.	H	α-helix	trans	-65.7	-38.7	170.2	-67.4	165	0	0	0	110.4	G1147 L1148 Q1154 M1155	G1147-I1151 WeakPolarHBondContact O-CG1 3.18Å; G1147-I1151 PolarHBondContact O-N 2.86Å; L1148-I1151 PolarHBondContact O-N 2.96Å; I1151-Q1154 PolarHBondContact O-N 3.26Å; I1151-M1155 WeakPolarHBondContact O-CB 3.32Å; I1151-M1155 PolarHBondContact O-N 2.94Å
1152	Q	40.1	Very low	43.6	Very low	117 Å²	117	111.7 Å²	111.7	55%	0.547	54%	0.541	S	S	.	.	H	α-helix	trans	-64.4	-40.2	174.9	-174.3	-178.6	-6.2	0	0	112	L1148 N1149 R1150 L1156	L1148-Q1152 WeakPolarHBondContact O-CB 3.43Å; L1148-Q1152 PolarHBondContact O-N 3.07Å; N1149-Q1152 CarbonylContact O-C 3.55Å; N1149-Q1152 WeakPolarHBondContact O-CB 3.29Å; N1149-Q1152 PolarHBondContact O-N 3.38Å; R1150-Q1152 VanDerWaalsContact C-N 3.33Å; Q1152-L1156 HydrophobicContact CG-CD1 4.46Å; Q1152-L1156 WeakPolarHBondContact O-CB 3.48Å; Q1152-L1156 PolarHBondContact O-N 2.78Å
1153	T	45.3	Very low	43.5	Very low	70 Å²	70	113 Å²	113	43%	0.429	54%	0.544	S	S	.	.	H	α-helix	trans	-65	-45.9	173.2	-43.5	0	0	0	0	111.1	N1149 R1150 M1155 L1156 E1157	N1149-T1153 PolarHBondContact O-N 3.32Å; N1149-T1153 PolarHBondContact O-OG1 3.36Å; R1150-T1153 PolarHBondContact O-N 2.82Å; T1153-M1155 PolarHBondContact O-N 3.35Å; T1153-L1156 WeakPolarHBondContact O-CA 3.44Å; T1153-L1156 WeakPolarHBondContact O-CB 3.15Å; T1153-L1156 PolarHBondContact O-N 3.49Å; T1153-E1157 WeakPolarHBondContact O-CG 3.43Å; T1153-E1157 PolarHBondContact O-N 3.33Å
1154	Q	40.1	Very low	43.8	Very low	108 Å²	108	110.9 Å²	110.9	51%	0.505	54%	0.539	S	S	.	.	H	α-helix	trans	-63.2	-37.8	178.1	-73.5	-180	-50	0	0	112.8	R1150 I1151 L1156 E1157 E1158	R1150-Q1154 WeakPolarHBondContact O-CG 3.45Å; R1150-Q1154 PolarHBondContact O-N 3.37Å; I1151-Q1154 PolarHBondContact O-N 3.26Å; Q1154-L1156 VanDerWaalsContact C-N 3.34Å; Q1154-E1157 PolarHBondContact O-N 2.9Å; Q1154-E1158 PolarHBondContact O-N 3.28Å
1155	M	44.6	Very low	43.9	Very low	127 Å²	127	106 Å²	106	63%	0.626	53%	0.532	S	S	*	.	H	α-helix	trans	-68.8	-30.5	172.3	-81.1	-172.4	69.2	0	0	113.2	I1151 T1153 S1159	I1151-M1155 WeakPolarHBondContact O-CB 3.32Å; I1151-M1155 PolarHBondContact O-N 2.94Å; T1153-M1155 PolarHBondContact O-N 3.35Å; M1155-S1159 WeakPolarHBondContact O-CB 3.28Å; M1155-S1159 PolarHBondContact O-N 3.17Å
1156	L	43.6	Very low	44	Very low	100 Å²	100	106 Å²	106	52%	0.524	54%	0.535	S	S	.	.	H	α-helix	trans	-69	-39.3	172.2	-95.5	153.7	0	0	0	111.6	Q1152 T1153 Q1154 S1159 Q1160	Q1152-L1156 HydrophobicContact CG-CD1 4.46Å; Q1152-L1156 WeakPolarHBondContact O-CB 3.48Å; Q1152-L1156 PolarHBondContact O-N 2.78Å; T1153-L1156 WeakPolarHBondContact O-CA 3.44Å; T1153-L1156 WeakPolarHBondContact O-CB 3.15Å; T1153-L1156 PolarHBondContact O-N 3.49Å; Q1154-L1156 VanDerWaalsContact C-N 3.34Å; L1156-S1159 PolarHBondContact O-N 2.82Å; L1156-Q1160 WeakPolarHBondContact O-CG 3.48Å; L1156-Q1160 PolarHBondContact O-N 3.08Å
1157	E	45.7	Very low	44.1	Very low	101 Å²	101	104.4 Å²	104.4	47%	0.472	53%	0.533	S	S	.	.	H	α-helix	trans	-64.8	-47.7	173.4	-71	170.2	159.2	0	0	111.8	T1153 Q1154 S1159 Q1160 L1161	T1153-E1157 WeakPolarHBondContact O-CG 3.43Å; T1153-E1157 PolarHBondContact O-N 3.33Å; Q1154-E1157 PolarHBondContact O-N 2.9Å; E1157-S1159 VanDerWaalsContact C-N 3.29Å; E1157-S1159 PolarHBondContact O-N 2.88Å; E1157-Q1160 PolarHBondContact O-N 2.71Å; E1157-L1161 WeakPolarHBondContact O-CB 3.28Å; E1157-L1161 PolarHBondContact O-N 3.11Å
1158	E	44.5	Very low	44.1	Very low	132 Å²	132	110.1 Å²	110.1	62%	0.617	55%	0.553	S	S	*	*	H	α-helix	trans	-61	-37.7	174.1	-75.6	-169.4	148.8	0	0	112	Q1154 L1161 L1162	Q1154-E1158 PolarHBondContact O-N 3.28Å; E1158-L1161 PolarHBondContact O-N 2.92Å; E1158-L1162 WeakPolarHBondContact O-CB 3.35Å; E1158-L1162 PolarHBondContact O-N 2.93Å
1159	S	45	Very low	44.1	Very low	68 Å²	68	110.7 Å²	110.7	48%	0.476	56%	0.56	S	S	.	*	H	α-helix	trans	-66.5	-39.1	175.9	-169.6	0	0	0	0	112.5	M1155 L1156 E1157 L1162 Q1163	M1155-S1159 WeakPolarHBondContact O-CB 3.28Å; M1155-S1159 PolarHBondContact O-N 3.17Å; L1156-S1159 PolarHBondContact O-N 2.82Å; E1157-S1159 VanDerWaalsContact C-N 3.29Å; E1157-S1159 PolarHBondContact O-N 2.88Å; S1159-L1162 PolarHBondContact O-N 3.46Å; S1159-Q1163 WeakPolarHBondContact O-CB 3.45Å; S1159-Q1163 PolarHBondContact O-N 2.87Å
1160	Q	47.2	Very low	44.3	Very low	120 Å²	120	111.6 Å²	111.6	56%	0.561	57%	0.569	S	S	*	*	H	α-helix	trans	-70.8	-33.4	174.2	-76.9	-174	-12.8	0	0	113.2	L1156 E1157 Q1163 S1164	L1156-Q1160 WeakPolarHBondContact O-CG 3.48Å; L1156-Q1160 PolarHBondContact O-N 3.08Å; E1157-Q1160 PolarHBondContact O-N 2.71Å; Q1160-Q1163 PolarHBondContact O-N 3.46Å; Q1160-S1164 WeakPolarHBondContact O-CB 3.42Å; Q1160-S1164 PolarHBondContact O-N 2.77Å; Q1160-S1164 PolarHBondContact O-OG 2.78Å
1161	L	44.3	Very low	44.4	Very low	114 Å²	114	110.6 Å²	110.6	60%	0.597	57%	0.574	S	S	*	*	H	α-helix	trans	-63.9	-46	171	-92.3	156.1	0	0	0	111.4	E1157 E1158 Q1163 S1164 C1165	E1157-L1161 WeakPolarHBondContact O-CB 3.28Å; E1157-L1161 PolarHBondContact O-N 3.11Å; E1158-L1161 PolarHBondContact O-N 2.92Å; L1161-Q1163 VanDerWaalsContact C-N 3.32Å; L1161-Q1163 PolarHBondContact O-N 3.41Å; L1161-S1164 PolarHBondContact O-N 2.88Å; L1161-C1165 PolarHBondContact O-N 3.07Å; L1161-C1165 PolarHBondContact O-SG 3.2Å
1162	L	47.4	Very low	44	Very low	110 Å²	110	111.4 Å²	111.4	58%	0.576	58%	0.584	S	S	*	*	H	α-helix	trans	-59.8	-40.5	172.4	-85.6	159.4	0	0	0	112.3	E1158 S1159 C1165 M1166	E1158-L1162 WeakPolarHBondContact O-CB 3.35Å; E1158-L1162 PolarHBondContact O-N 2.93Å; S1159-L1162 PolarHBondContact O-N 3.46Å; L1162-C1165 PolarHBondContact O-N 3.22Å; L1162-M1166 PolarHBondContact O-N 3.1Å
1163	Q	42.5	Very low	43.7	Very low	121 Å²	121	116.2 Å²	116.2	57%	0.565	61%	0.613	S	S	*	*	H	α-helix	trans	-66.3	-37	177.6	-154.1	170.1	23.4	0	0	112.1	S1159 Q1160 L1161 F1167	S1159-Q1163 WeakPolarHBondContact O-CB 3.45Å; S1159-Q1163 PolarHBondContact O-N 2.87Å; Q1160-Q1163 PolarHBondContact O-N 3.46Å; L1161-Q1163 VanDerWaalsContact C-N 3.32Å; L1161-Q1163 PolarHBondContact O-N 3.41Å; Q1163-F1167 PolarHBondContact O-N 2.73Å; Q1163-F1167 VanDerWaalsContact O-N 3.14Å
1164	S	47.5	Very low	43.7	Very low	74 Å²	74	118.5 Å²	118.5	52%	0.517	62%	0.622	S	S	.	*	H	α-helix	trans	-72	-39	175.4	-59.8	0	0	0	0	112.6	Q1160 L1161 F1167 M1168	Q1160-S1164 WeakPolarHBondContact O-CB 3.42Å; Q1160-S1164 PolarHBondContact O-N 2.77Å; Q1160-S1164 PolarHBondContact O-OG 2.78Å; L1161-S1164 PolarHBondContact O-N 2.88Å; S1164-F1167 PolarHBondContact O-N 3.49Å; S1164-M1168 PolarHBondContact O-N 3.01Å
1165	C	42.1	Very low	43.9	Very low	76 Å²	76	119.1 Å²	119.1	51%	0.514	63%	0.628	S	S	.	*	H	α-helix	trans	-62.9	-45.7	173.1	-74.9	0	0	0	0	111.8	L1161 L1162 F1167 M1168 T1169	L1161-C1165 PolarHBondContact O-N 3.07Å; L1161-C1165 PolarHBondContact O-SG 3.2Å; L1162-C1165 PolarHBondContact O-N 3.22Å; C1165-F1167 VanDerWaalsContact C-N 3.32Å; C1165-F1167 PolarHBondContact O-N 2.92Å; C1165-M1168 PolarHBondContact O-N 2.86Å; C1165-T1169 PolarHBondContact O-N 3.34Å; C1165-T1169 PolarHBondContact O-OG1 3.13Å
1166	M	44.8	Very low	43.8	Very low	128 Å²	128	118.6 Å²	118.6	63%	0.631	63%	0.629	S	S	*	*	H	α-helix	trans	-59.2	-41.7	175.1	-95.3	-177.2	-84.1	0	0	112.3	L1162 T1169 T1170	L1162-M1166 PolarHBondContact O-N 3.1Å; M1166-T1169 PolarHBondContact O-N 3.35Å; M1166-T1170 PolarHBondContact O-N 3.3Å; M1166-T1170 PolarHBondContact O-OG1 3.41Å; M1166-T1170 VanDerWaalsContact O-OG1 3.04Å
1167	F	44.8	Very low	43.8	Very low	148 Å²	148	119.7 Å²	119.7	65%	0.649	64%	0.635	S	S	*	*	H	α-helix	trans	-65.5	-36.5	177.3	-112.6	-86.2	0	0	0	113.4	Q1163 S1164 C1165 T1170	Q1163-F1167 PolarHBondContact O-N 2.73Å; Q1163-F1167 VanDerWaalsContact O-N 3.14Å; S1164-F1167 PolarHBondContact O-N 3.49Å; C1165-F1167 VanDerWaalsContact C-N 3.32Å; C1165-F1167 PolarHBondContact O-N 2.92Å; F1167-T1170 PolarHBondContact O-OG1 3.4Å
1168	M	42.3	Very low	43.7	Very low	152 Å²	152	120.9 Å²	120.9	75%	0.749	65%	0.645	S	S	*	*	H	α-helix	trans	-68.6	-41.4	174.1	-87.9	-169	166.9	0	0	112.4	S1164 C1165 T1170 M1171	S1164-M1168 PolarHBondContact O-N 3.01Å; C1165-M1168 PolarHBondContact O-N 2.86Å; M1168-T1170 VanDerWaalsContact C-N 3.29Å; M1168-T1170 PolarHBondContact O-N 3.07Å; M1168-M1171 PolarHBondContact O-N 3.01Å; M1168-M1171 VanDerWaalsContact O-N 3.09Å
1169	T	43.1	Very low	43.7	Very low	88 Å²	88	120.1 Å²	120.1	54%	0.54	65%	0.647	S	S	.	*	H	α-helix	trans	-62.8	-36.5	-180	-47.1	0	0	0	0	111.8	C1165 M1166 M1171 T1172	C1165-T1169 PolarHBondContact O-N 3.34Å; C1165-T1169 PolarHBondContact O-OG1 3.13Å; M1166-T1169 PolarHBondContact O-N 3.35Å; T1169-M1171 PolarHBondContact O-N 3.04Å; T1169-T1172 PolarHBondContact O-N 3.08Å; T1169-T1172 PolarHBondContact O-OG1 3.18Å
1170	T	45.2	Very low	43.6	Very low	107 Å²	107	123.9 Å²	123.9	66%	0.656	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	2.3	175	44.1	0	0	0	0	115.8	M1166 F1167 M1168	M1166-T1170 PolarHBondContact O-N 3.3Å; M1166-T1170 PolarHBondContact O-OG1 3.41Å; M1166-T1170 VanDerWaalsContact O-OG1 3.04Å; F1167-T1170 PolarHBondContact O-OG1 3.4Å; M1168-T1170 VanDerWaalsContact C-N 3.29Å; M1168-T1170 PolarHBondContact O-N 3.07Å
1171	M	43.1	Very low	43.3	Very low	164 Å²	164	124.2 Å²	124.2	81%	0.808	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	7.2	172.2	-79	-161.6	160.9	0	0	113.6	M1168 T1169	M1168-M1171 PolarHBondContact O-N 3.01Å; M1168-M1171 VanDerWaalsContact O-N 3.09Å; T1169-M1171 PolarHBondContact O-N 3.04Å
1172	T	40.8	Very low	43.2	Very low	114 Å²	114	125 Å²	125	70%	0.699	67%	0.673	S	S	*	*			trans	-122.5	9	-178.5	41.8	0	0	0	0	115.4	T1169	T1169-T1172 PolarHBondContact O-N 3.08Å; T1169-T1172 PolarHBondContact O-OG1 3.18Å
1173	D	34.9	Very low	42.8	Very low	218 Å²	218	126.4 Å²	126.4	100%	1.166	68%	0.681	S	S	*	*			trans	-120.3	0	167.1	-81.2	-41.7	0	0	0	110.5

Retrieved 1,173 of 1,173 residues in 3791.7 ms (Link to these results)

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