A0A087XKB3_POEFO Loading...

Zinc finger protein 512B

AlphaFold DB , UniProt , Accession A0A087XKB3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 834 aa.

						>A0A087XKB3_POEFO|A0A087XKB3
MESSSGLRLGKLSSPGLPRGKTPKHGHPQEFVRSTPCPENNNKHSLMCDDQADGKRKGRPKTDGQELRSIPAHLIIQWKEEFKRRSRVKCPCTGCWLEFPSIYGVKYHYQRCPGPTVAEKLNHGCPYCEAAFATKVRLEKHKLWNHPERVSKEAKEQQLLKIPVKSNIKKRPMENSPPSPVFFKVKKTYEVSAPSQNGELTHLKSERKVHSHIPASQQIHPSSHTVQPQSQSQSTSSDAGGSESEGGSLPSSYPDEDPERMRHRRKQKTPKKFTGEQPSISGTFGLKGMTKVEEKLKAGRVKRSEGCGFNDEPQRRPASAQSSKKEPVTTSSGGVSDTQWQRTISERGEVVCPTCSIVTRKTIHGLKKHMEICQKLQDALKCQQCQKQFRSKAGLNYHTMAEHSTKPSGSEGQTGNEHEERERLRRVLKQMGRIKCPTEGCSAHFSSLMGYQYHQQRCGREFSDDEKPVFLCQHCGKSYRSKAGRDYHIRTEHPPTITTVTTATNANNYKNSLTDTNNNTGKERGISDDSPLVGKKKEQNLLERKDWQEKPPTSQPKERDLEREEERKQSKEKAAQIKSQGEDFERTPSGRVRRQSAQVAVFHLQEIAEDELAKDWGTKRRIKDDLVPDSKRLNYTRPGLPNFSPELLETWKNQVKEKGFICCTNANCEAVYSSVSGLKAHLANCSQGGGEMGKYTCLICQKEFSSESGVKYHISKTHSQNWFRASTSQGVSGSKSKGLENNGFKAEVRNGATSGKKRGRKPKERPLMDESLQTKTDALTTAQNSPPAMTPPSRSAQSPALIPDQTDSDDPGQERQIPPPASRRNKTKKIFLSE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.4	Very low	35.9	Very low	218 Å²	218	141.7 Å²	141.7	100%	1.074	80%	0.799	S	S	*	*				0	60.6	0	-63.3	170.5	176.4	0	0	108
2	E	32.8	Very low	35.6	Very low	162 Å²	162	143.1 Å²	143.1	76%	0.757	80%	0.801	S	S	*	*				86.2	116.5	64.3	-73.3	149.5	101.3	0	0	111.1
3	S	39	Very low	35.1	Very low	113 Å²	113	139.9 Å²	139.9	79%	0.79	79%	0.794	S	S	*	*				78	137.6	73.9	-57.8	0	0	0	0	111.3
4	S	36.9	Very low	35	Very low	100 Å²	100	137.6 Å²	137.6	70%	0.699	79%	0.791	S	S	*	*			cis	-143.7	148.6	17.1	-112.4	0	0	0	0	111.1
5	S	40.7	Very low	35.7	Very low	116 Å²	116	137.3 Å²	137.3	81%	0.811	80%	0.796	S	S	*	*				62.5	124.1	84.6	-41.6	0	0	0	0	113.9
6	G	35.5	Very low	35.2	Very low	76 Å²	76	133.5 Å²	133.5	78%	0.784	80%	0.796	S	S	*	*			cis	-154.9	-151.6	0.7	0	0	0	0	0	110.6
7	L	33.4	Very low	35.3	Very low	162 Å²	162	135.5 Å²	135.5	85%	0.848	80%	0.801	S	S	*	*			cis	-152.9	-148.7	-4.1	-136.2	177.3	0	0	0	109.5
8	R	40.6	Very low	35.9	Very low	221 Å²	221	135.3 Å²	135.3	83%	0.834	80%	0.803	S	S	*	*			trans	-162.3	163.1	-171.3	-66.2	-179.9	176.4	-113.2	7.7	112.8
9	L	39.1	Very low	36	Very low	147 Å²	147	141.6 Å²	141.6	77%	0.77	81%	0.812	S	S	*	*				155	150.3	124.6	-84.4	154	0	0	0	110.9	K11	L9-K11 HydrophobicContact CD2-CD 4.33Å
10	G	29.8	Very low	35.7	Very low	60 Å²	60	138 Å²	138	62%	0.619	81%	0.806	S	S	*	*			cis	-152.1	158.2	-6.3	0	0	0	0	0	109.8
11	K	36.5	Very low	35.5	Very low	184 Å²	184	141.8 Å²	141.8	80%	0.8	81%	0.813	S	S	*	*				56.1	138.6	83.7	-60.3	178.2	179.2	-179.8	0	113.6	L9	L9-K11 HydrophobicContact CD2-CD 4.33Å
12	L	32.7	Very low	35.7	Very low	158 Å²	158	137.9 Å²	137.9	83%	0.827	80%	0.802	S	S	*	*			cis	-164.4	-177.4	-8.6	-105.2	171.1	0	0	0	106
13	S	28.4	Very low	36.1	Very low	102 Å²	102	135.8 Å²	135.8	71%	0.713	80%	0.802	S	S	*	*			cis	-159.2	-177.7	11.1	-158.1	0	0	0	0	111.8
14	S	34.1	Very low	35.7	Very low	107 Å²	107	139.1 Å²	139.1	75%	0.748	80%	0.802	S	S	*	*			trans	-105.5	-173.8	158.8	-55.2	0	0	0	0	109.7
15	P	45.2	Very low	35.5	Very low	133 Å²	133	143.1 Å²	143.1	86%	0.864	81%	0.81	S	S	*	*			cis	-141	-171.2	3.5	44.8	-25.9	0	0	0	116.3
16	G	28	Very low	34.8	Very low	77 Å²	77	141.3 Å²	141.3	79%	0.794	81%	0.809	S	S	*	*			trans	164.6	131	159.6	0	0	0	0	0	117.4
17	L	36.2	Very low	34.5	Very low	168 Å²	168	145.2 Å²	145.2	88%	0.88	81%	0.807	S	S	*	*			trans	-138.7	149.2	167.7	-94.8	173.2	0	0	0	109.2
18	P	47.1	Very low	35	Very low	131 Å²	131	143.3 Å²	143.3	85%	0.851	80%	0.804	S	S	*	*				-144.8	-172.9	121	34.4	-16.7	0	0	0	115.2
19	R	38.2	Very low	34.5	Very low	256 Å²	256	139.7 Å²	139.7	97%	0.966	80%	0.797	S	S	*	*			trans	-115.2	148.6	-169.3	-99.2	173.8	153.1	-171.2	-4	113.8
20	G	28.9	Very low	33.9	Very low	68 Å²	68	139.7 Å²	139.7	70%	0.701	79%	0.793	S	S	*	*			trans	-174.8	111.6	155.8	0	0	0	0	0	110.3
21	K	32.6	Very low	33.8	Very low	218 Å²	218	145.1 Å²	145.1	95%	0.948	80%	0.799	S	S	*	*				73.8	128.8	81.6	-78.9	-169.5	174.6	-177.9	0	114.8
22	T	33.2	Very low	33.4	Very low	137 Å²	137	141.7 Å²	141.7	84%	0.84	79%	0.794	S	S	*	*			trans	-97.3	165.5	-172.2	55.4	0	0	0	0	113
23	P	41.3	Very low	33.3	Very low	117 Å²	117	144.7 Å²	144.7	76%	0.76	79%	0.794	S	S	*	*				-155.8	143.5	102.6	37.7	-18.5	0	0	0	119.4
24	K	31.8	Very low	33.2	Very low	183 Å²	183	145.7 Å²	145.7	80%	0.796	80%	0.801	S	S	*	*			trans	50.1	150.9	139	-65.2	-170.5	174.1	-175	0	125.8
25	H	31.4	Very low	33	Very low	185 Å²	185	146.1 Å²	146.1	86%	0.856	80%	0.8	S	S	*	*			trans	88.5	136.7	149.8	-82.4	-73.7	0	0	0	121.6
26	G	26	Very low	32.4	Very low	77 Å²	77	146 Å²	146	79%	0.794	80%	0.799	S	S	*	*			trans	130.9	118.8	151.3	0	0	0	0	0	117.2
27	H	29.6	Very low	32.4	Very low	159 Å²	159	147.7 Å²	147.7	74%	0.736	80%	0.797	S	S	*	*			trans	-148.1	123.9	160.5	171.9	-75	0	0	0	109.8
28	P	44.3	Very low	32.9	Very low	122 Å²	122	144.7 Å²	144.7	79%	0.792	79%	0.788	S	S	*	*			trans	-132.8	-168.6	147.8	29.6	-10.2	0	0	0	112.4
29	Q	29.3	Very low	32.1	Very low	145 Å²	145	146.3 Å²	146.3	68%	0.678	78%	0.784	S	S	*	*			trans	-137.3	151.8	-147.3	-147	-172.3	-62.1	0	0	113.2
30	E	27.8	Very low	31.7	Very low	146 Å²	146	139.3 Å²	139.3	68%	0.682	77%	0.766	S	S	*	*			trans	80.2	166.2	153.5	-51.2	-151.1	158.5	0	0	124.1
31	F	27.5	Very low	31.8	Very low	174 Å²	174	141.7 Å²	141.7	76%	0.763	76%	0.762	S	S	*	*			trans	102.9	87.6	160.2	-80.2	-93.5	0	0	0	123.1
32	V	28.6	Very low	31.5	Very low	113 Å²	113	137.8 Å²	137.8	69%	0.685	75%	0.752	S	S	*	*				80.8	107	115.6	165.5	0	0	0	0	122.4
33	R	30.4	Very low	31.6	Very low	221 Å²	221	139.3 Å²	139.3	83%	0.834	75%	0.747	S	S	*	*				65.8	133.3	120.5	-160.7	-173.1	-157.9	163.1	6.2	122.1
34	S	25.4	Very low	31.1	Very low	122 Å²	122	141.5 Å²	141.5	85%	0.853	75%	0.746	S	S	*	*			trans	-157.3	157.8	137.8	-85.6	0	0	0	0	111.6
35	T	30.2	Very low	30.8	Very low	117 Å²	117	137.6 Å²	137.6	72%	0.718	74%	0.742	S	S	*	*			trans	-151.9	149.9	178.5	-42.3	0	0	0	0	108.3
36	P	33.2	Very low	30.6	Very low	130 Å²	130	136.3 Å²	136.3	84%	0.844	74%	0.741	S	S	*	*			trans	-140.5	167	132.6	35.9	-22.2	0	0	0	114.3
37	C	28.3	Very low	30.7	Very low	113 Å²	113	140.2 Å²	140.2	76%	0.764	74%	0.74	S	S	*	*			trans	-150	145.2	173.4	174.9	0	0	0	0	108.8
38	P	46.9	Very low	30.7	Very low	105 Å²	105	137.9 Å²	137.9	68%	0.682	74%	0.741	S	S	*	*			trans	-132.9	142.7	148.6	38.7	-25.8	0	0	0	109.4
39	E	28.8	Very low	29.8	Very low	164 Å²	164	140.1 Å²	140.1	77%	0.766	75%	0.746	S	S	*	*			cis	132.4	160	49.1	-98.8	-155.9	90.9	0	0	106.9
40	N	30.1	Very low	29.8	Very low	110 Å²	110	139.1 Å²	139.1	59%	0.588	75%	0.745	S	S	*	*			cis	-167.4	167.8	-18.8	-160.9	-9.4	0	0	0	110.8
41	N	31.6	Very low	29.9	Very low	118 Å²	118	140 Å²	140	63%	0.631	75%	0.75	S	S	*	*			trans	70.6	149.8	158	-69.4	-48.8	0	0	0	120.3
42	N	26.9	Very low	30	Very low	135 Å²	135	136.7 Å²	136.7	72%	0.722	75%	0.754	S	S	*	*			cis	-147.2	180	0.7	-144.3	-19.5	0	0	0	115.2
43	K	34.7	Very low	30.1	Very low	169 Å²	169	137.6 Å²	137.6	74%	0.735	76%	0.755	S	S	*	*			trans	-94.4	-173.2	-173.5	-54.3	141.3	-172.2	167.5	0	112.5
44	H	29.6	Very low	30.1	Very low	163 Å²	163	130.3 Å²	130.3	76%	0.755	75%	0.749	S	S	*	*			cis	-145.4	164.7	13.9	-111.9	-96.9	0	0	0	108.7
45	S	25.7	Very low	30.6	Very low	102 Å²	102	132.1 Å²	132.1	71%	0.713	74%	0.742	S	S	*	*			cis	93.9	93.2	7.8	-161	0	0	0	0	118.9
46	L	28.2	Very low	30.9	Very low	158 Å²	158	138.7 Å²	138.7	83%	0.827	75%	0.753	S	S	*	*			trans	-158.3	146.5	170.3	-78.7	175.8	0	0	0	107.3
47	M	28.3	Very low	30.9	Very low	158 Å²	158	142.3 Å²	142.3	78%	0.778	76%	0.756	S	S	*	*			cis	-144	178.1	-1.1	-91.8	-95.3	70	0	0	110.6
48	C	28.5	Very low	31	Very low	111 Å²	111	140.2 Å²	140.2	75%	0.75	75%	0.754	S	S	*	*			trans	-101.2	166.6	-172.5	-50.1	0	0	0	0	114.4
49	D	26.3	Very low	30.2	Very low	168 Å²	168	145.1 Å²	145.1	90%	0.898	76%	0.758	S	S	*	*				-161.4	178.4	124.8	-135.5	-62.3	0	0	0	111.8
50	D	29.3	Very low	30.4	Very low	124 Å²	124	142.8 Å²	142.8	66%	0.663	76%	0.757	S	S	*	*			trans	-108.4	152.6	-154.2	-162.7	-139.8	0	0	0	118.5
51	Q	29.9	Very low	31	Very low	166 Å²	166	145.7 Å²	145.7	78%	0.776	77%	0.765	S	S	*	*			trans	46.9	113.2	145.8	-168.1	167.7	147.3	0	0	124.2
52	A	29.3	Very low	30.8	Very low	104 Å²	104	146.5 Å²	146.5	86%	0.86	77%	0.774	S	S	*	*			trans	-158.1	149.4	141.5	0	0	0	0	0	113.3
53	D	31.1	Very low	31	Very low	131 Å²	131	147 Å²	147	70%	0.701	78%	0.777	S	S	*	*			trans	-79	159.9	179.2	-161.4	-49.8	0	0	0	112.4	K55	D53-K55 IonicContact OD1-NZ 3.19Å; D53-K55 PolarHBondContact OD1-NZ 3.17Å; D53-K55 IonicContact OD2-NZ 2.62Å; D53-K55 PolarHBondContact OD2-NZ 3.14Å; D53-K55 VanDerWaalsContact OD2-NZ 3.09Å
54	G	29.3	Very low	31.1	Very low	69 Å²	69	141.8 Å²	141.8	71%	0.711	77%	0.771	S	S	*	*			trans	-174.9	-10.5	-177.6	0	0	0	0	0	121.3
55	K	37.3	Very low	31.4	Very low	159 Å²	159	143 Å²	143	69%	0.691	78%	0.777	S	S	*	*			trans	40.2	97.8	166.9	-63.1	171.2	-175.9	67.8	0	118.8	D53	D53-K55 IonicContact OD1-NZ 3.19Å; D53-K55 PolarHBondContact OD1-NZ 3.17Å; D53-K55 IonicContact OD2-NZ 2.62Å; D53-K55 PolarHBondContact OD2-NZ 3.14Å; D53-K55 VanDerWaalsContact OD2-NZ 3.09Å
56	R	35.8	Very low	32.2	Very low	256 Å²	256	146.9 Å²	146.9	97%	0.966	78%	0.784	S	S	*	*			trans	-129.4	117.8	136.5	-72.4	-165	177.8	-164.8	0.5	110.2
57	K	32.8	Very low	33.2	Very low	205 Å²	205	143.9 Å²	143.9	89%	0.891	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-77.3	146.1	-175.9	-71.5	-168.9	175.1	-171.8	0	111.7
58	G	30.3	Very low	34.8	Very low	70 Å²	70	141.6 Å²	141.6	72%	0.722	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-66.8	159	177.3	0	0	0	0	0	114.4	P60	G58-P60 WeakPolarHBondContact O-CD 3.24Å
59	R	29.8	Very low	36.2	Very low	207 Å²	207	141.7 Å²	141.7	78%	0.781	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-56.6	123.7	175.5	169.2	-172.8	-179.2	-169.1	3.6	113
60	P	34.3	Very low	38.7	Very low	115 Å²	115	134.9 Å²	134.9	75%	0.747	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-69.6	128.3	147.2	-10.8	28.1	0	0	0	108.6	G58 T62	G58-P60 WeakPolarHBondContact O-CD 3.24Å; P60-T62 PolarHBondContact O-N 3.26Å
61	K	41.7	Very low	41.2	Very low	172 Å²	172	131.4 Å²	131.4	75%	0.748	70%	0.701	S	S	*	*			trans	-73.6	104.2	168.6	-71.8	175.7	179.8	174.8	0	107.8	D63	K61-D63 PolarHBondContact O-N 2.95Å; K61-D63 VanDerWaalsContact O-N 3.14Å
62	T	27.9	Very low	43.4	Very low	134 Å²	134	126.9 Å²	126.9	82%	0.822	69%	0.692	S	S	*	*			trans	-69.5	106.6	158.7	50.8	0	0	0	0	107.3	P60	P60-T62 PolarHBondContact O-N 3.26Å
63	D	30.2	Very low	45.9	Very low	146 Å²	146	127.9 Å²	127.9	78%	0.781	68%	0.678	S	S	*	*			trans	-57.6	156.3	171.7	-171.6	-140.2	0	0	0	111.2	K61 Q65	K61-D63 PolarHBondContact O-N 2.95Å; K61-D63 VanDerWaalsContact O-N 3.14Å; D63-Q65 PolarHBondContact O-N 3.3Å
64	G	37.6	Very low	48.4	Very low	60 Å²	60	122.5 Å²	122.5	62%	0.619	65%	0.649	S	S	*	*			trans	-66.7	104.6	-176.6	0	0	0	0	0	110.6	E66	G64-E66 PolarHBondContact O-N 3.15Å
65	Q	36.6	Very low	51	Low	187 Å²	187	121.4 Å²	121.4	87%	0.874	63%	0.627	S	S	*	*			trans	-56.8	105.8	-179	-79.1	-155.8	-39.2	0	0	111.4	D63 L67	D63-Q65 PolarHBondContact O-N 3.3Å; Q65-L67 PolarHBondContact O-N 3.16Å; Q65-L67 VanDerWaalsContact O-N 3.11Å
66	E	41.2	Very low	53.4	Low	185 Å²	185	118.8 Å²	118.8	86%	0.864	62%	0.619	S	S	*	*			trans	-53.1	119.4	166.3	-78.7	-159.2	110.8	0	0	109.1	G64 R68	G64-E66 PolarHBondContact O-N 3.15Å; E66-R68 PolarHBondContact O-N 2.64Å
67	L	49.6	Very low	55.8	Low	95 Å²	95	112.1 Å²	112.1	50%	0.497	60%	0.599	S	S	.	*			trans	-64.7	94.5	178.9	-72.1	174.8	0	0	0	109.4	Q65 S69 Q110	Q65-L67 PolarHBondContact O-N 3.16Å; Q65-L67 VanDerWaalsContact O-N 3.11Å; L67-S69 PolarHBondContact O-N 3.12Å; L67-Q110 HydrophobicContact CB-CG 3.74Å; L67-Q110 HydrophobicContact CD2-CG 4.1Å; L67-Q110 HydrophobicContact CG-CG 4.45Å
68	R	62.2	Low	58.5	Low	110 Å²	110	102.6 Å²	102.6	42%	0.415	56%	0.557	S	S	.	*			trans	-26.8	109.7	-170.7	-66.2	-162.6	-151.6	-118.5	5.6	112	E66 I70 C112 P113	E66-R68 PolarHBondContact O-N 2.64Å; R68-I70 WeakPolarHBondContact O-CG1 2.97Å; R68-I70 PolarHBondContact O-N 3.48Å; R68-C112 PolarHBondContact NE-O 2.87Å; R68-C112 PolarHBondContact NH2-O 3.09Å; R68-P113 PolarHBondContact NH2-O 2.74Å
69	S	57	Low	61.2	Low	113 Å²	113	104.5 Å²	104.5	79%	0.79	55%	0.546	S	S	*	.			trans	-59	127.7	174.4	55.7	0	0	0	0	108.3	L67 P71	L67-S69 PolarHBondContact O-N 3.12Å; S69-P71 VanDerWaalsContact O-CD 3.32Å; S69-P71 WeakPolarHBondContact O-CD 3.34Å
70	I	79.4	Confident	64	Low	25 Å²	25	98.8 Å²	98.8	13%	0.128	53%	0.528	C	S	.	.			trans	-94.9	112.5	-170.6	-53.5	-179.7	0	0	0	107.7	R68 A72 L74 I75 W78 K106 Y109 Q110	R68-I70 WeakPolarHBondContact O-CG1 2.97Å; R68-I70 PolarHBondContact O-N 3.48Å; I70-A72 PolarHBondContact O-N 3.49Å; I70-L74 HydrophobicContact CG2-CB 4.44Å; I70-I75 HydrophobicContact CB-CD1 4.31Å; I70-I75 HydrophobicContact CB-CG1 4.44Å; I70-I75 HydrophobicContact CG2-CD1 4.1Å; I70-I75 HydrophobicContact CG2-CG1 3.69Å; I70-W78 HydrophobicContact CD1-CH2 4.22Å; I70-W78 HydrophobicContact CD1-CZ3 4.22Å; I70-W78 HydrophobicContact CG2-CH2 3.55Å; I70-W78 HydrophobicContact CG2-CZ2 4.42Å; I70-W78 HydrophobicContact CG2-CZ3 3.72Å; I70-K106 HydrophobicContact CD1-CB 4.42Å; I70-K106 HydrophobicContact CD1-CD 4.47Å; I70-K106 HydrophobicContact CD1-CG 3.43Å; I70-K106 VanDerWaalsContact CD1-CG 3.43Å; I70-Y109 HydrophobicContact CD1-CD1 4.07Å; I70-Y109 HydrophobicContact CG1-CD1 3.84Å; I70-Y109 HydrophobicContact CG1-CE1 4.09Å; I70-Y109 HydrophobicContact CG2-CD1 4.32Å; I70-Y109 HydrophobicContact CG2-CE1 4.26Å; I70-Q110 HydrophobicContact CD1-CB 4.45Å
71	P	82.8	Confident	66.4	Low	51 Å²	51	94.4 Å²	94.4	33%	0.331	50%	0.498	S	S	.	.			trans	-57.3	137.4	-178.8	-25.7	35.6	0	0	0	111.5	S69 H73 L74 I75	S69-P71 VanDerWaalsContact O-CD 3.32Å; S69-P71 WeakPolarHBondContact O-CD 3.34Å; P71-H73 WeakPolarHBondContact CB-CE1 3.23Å; P71-H73 PolarHBondContact O-N 3.26Å; P71-H73 VanDerWaalsContact O-N 3.1Å; P71-L74 HydrophobicContact CB-CG 4.49Å; P71-L74 HydrophobicContact CG-CD1 4.47Å; P71-L74 PolarHBondContact O-N 2.83Å; P71-I75 PolarHBondContact O-N 3.23Å
72	A	74.6	Confident	68.7	Low	71 Å²	71	89.7 Å²	89.7	59%	0.587	48%	0.477	S	S	*	.	H	α-helix	trans	-56.5	-32.6	-176.7	0	0	0	0	0	112.8	I70 L74 I75 I76	I70-A72 PolarHBondContact O-N 3.49Å; A72-L74 PolarHBondContact O-N 2.93Å; A72-I75 PolarHBondContact O-N 3.29Å; A72-I76 WeakPolarHBondContact O-CG1 3.38Å; A72-I76 PolarHBondContact O-N 2.82Å
73	H	81.9	Confident	71.5	Confident	124 Å²	124	90.3 Å²	90.3	57%	0.574	47%	0.469	S	S	*	.	H	α-helix	trans	-62.9	-38.5	176.1	71	-106.2	0	0	0	112.8	P71 I75 I76 Q77	P71-H73 WeakPolarHBondContact CB-CE1 3.23Å; P71-H73 PolarHBondContact O-N 3.26Å; P71-H73 VanDerWaalsContact O-N 3.1Å; H73-I75 VanDerWaalsContact C-N 3.34Å; H73-I75 PolarHBondContact O-N 2.69Å; H73-I76 PolarHBondContact O-N 3.09Å; H73-Q77 WeakPolarHBondContact O-CB 3.47Å; H73-Q77 PolarHBondContact O-N 2.82Å
74	L	83.8	Confident	74.1	Confident	18 Å²	18	92.1 Å²	92.1	9%	0.094	47%	0.465	C	S	.	.	H	α-helix	trans	-66.4	-38.2	175	-65.3	-172.4	0	0	0	111	I70 P71 A72 I76 Q77 W78 Y109	I70-L74 HydrophobicContact CG2-CB 4.44Å; P71-L74 HydrophobicContact CB-CG 4.49Å; P71-L74 HydrophobicContact CG-CD1 4.47Å; P71-L74 PolarHBondContact O-N 2.83Å; A72-L74 PolarHBondContact O-N 2.93Å; L74-I76 VanDerWaalsContact C-N 3.3Å; L74-I76 PolarHBondContact O-N 3.27Å; L74-Q77 PolarHBondContact O-N 2.81Å; L74-W78 HydrophobicContact CB-CZ2 4.24Å; L74-W78 WeakPolarHBondContact O-CB 3.49Å; L74-W78 VanDerWaalsContact O-CD1 3.27Å; L74-W78 PolarHBondContact O-N 2.78Å; L74-Y109 HydrophobicContact CD1-CE1 4.4Å; L74-Y109 HydrophobicContact CD1-CE2 4.09Å; L74-Y109 WeakPolarHBondContact CD1-OH 3.48Å
75	I	83.8	Confident	75.9	Confident	47 Å²	47	96.9 Å²	96.9	24%	0.241	46%	0.464	C	S	.	.	H	α-helix	trans	-65.3	-35.9	176.5	-55.8	177.6	0	0	0	111	I70 P71 A72 H73 K79	I70-I75 HydrophobicContact CB-CD1 4.31Å; I70-I75 HydrophobicContact CB-CG1 4.44Å; I70-I75 HydrophobicContact CG2-CD1 4.1Å; I70-I75 HydrophobicContact CG2-CG1 3.69Å; P71-I75 PolarHBondContact O-N 3.23Å; A72-I75 PolarHBondContact O-N 3.29Å; H73-I75 VanDerWaalsContact C-N 3.34Å; H73-I75 PolarHBondContact O-N 2.69Å; I75-K79 VanDerWaalsContact O-CG 3.29Å; I75-K79 WeakPolarHBondContact O-CG 3.4Å; I75-K79 PolarHBondContact O-N 2.85Å
76	I	87.7	Confident	78.1	Confident	104 Å²	104	91.7 Å²	91.7	53%	0.533	45%	0.448	S	S	.	.	H	α-helix	trans	-68.8	-46	174	-66.4	163.4	0	0	0	110.6	A72 H73 L74 W78 K79 E80	A72-I76 WeakPolarHBondContact O-CG1 3.38Å; A72-I76 PolarHBondContact O-N 2.82Å; H73-I76 PolarHBondContact O-N 3.09Å; L74-I76 VanDerWaalsContact C-N 3.3Å; L74-I76 PolarHBondContact O-N 3.27Å; I76-W78 VanDerWaalsContact C-N 3.32Å; I76-W78 PolarHBondContact O-N 3.14Å; I76-K79 WeakPolarHBondContact O-CB 3.27Å; I76-K79 PolarHBondContact O-N 2.86Å; I76-K79 VanDerWaalsContact O-N 3.13Å; I76-E80 PolarHBondContact O-N 3.48Å
77	Q	86.4	Confident	80.1	Confident	115 Å²	115	88.4 Å²	88.4	54%	0.537	43%	0.428	S	S	.	.	H	α-helix	trans	-58.5	-43.1	175.2	-173.9	179.4	-3	0	0	111.6	H73 L74 K79 E80 E81	H73-Q77 WeakPolarHBondContact O-CB 3.47Å; H73-Q77 PolarHBondContact O-N 2.82Å; L74-Q77 PolarHBondContact O-N 2.81Å; Q77-K79 PolarHBondContact O-N 3.28Å; Q77-E80 PolarHBondContact O-N 2.98Å; Q77-E81 WeakPolarHBondContact O-CB 3.27Å; Q77-E81 PolarHBondContact O-N 3.46Å
78	W	90.8	Very high	82	Confident	5 Å²	5	83.9 Å²	83.9	2%	0.019	40%	0.404	C	S	.	.	H	α-helix	trans	-65.2	-35	175.3	-63.6	-12.3	0	0	0	113.1	I70 L74 I76 F82 V88 P91 I102 V105 K106 Y109	I70-W78 HydrophobicContact CD1-CH2 4.22Å; I70-W78 HydrophobicContact CD1-CZ3 4.22Å; I70-W78 HydrophobicContact CG2-CH2 3.55Å; I70-W78 HydrophobicContact CG2-CZ2 4.42Å; I70-W78 HydrophobicContact CG2-CZ3 3.72Å; L74-W78 HydrophobicContact CB-CZ2 4.24Å; L74-W78 WeakPolarHBondContact O-CB 3.49Å; L74-W78 VanDerWaalsContact O-CD1 3.27Å; L74-W78 PolarHBondContact O-N 2.78Å; I76-W78 VanDerWaalsContact C-N 3.32Å; I76-W78 PolarHBondContact O-N 3.14Å; W78-F82 WeakPolarHBondContact O-CB 3.36Å; W78-F82 PolarHBondContact O-N 3.44Å; W78-V88 HydrophobicContact CB-CG1 3.79Å; W78-V88 HydrophobicContact CB-CG2 4.4Å; W78-V88 VanDerWaalsContact CD1-CG1 3.41Å; W78-V88 HydrophobicContact CD2-CG1 4.49Å; W78-V88 HydrophobicContact CG-CG1 3.62Å; W78-V88 WeakPolarHBondContact O-CG2 3.48Å; W78-P91 HydrophobicContact CZ2-CG 3.93Å; W78-I102 HydrophobicContact CB-CG2 4.43Å; W78-V105 HydrophobicContact CD2-CG1 3.9Å; W78-V105 HydrophobicContact CD2-CG2 4.19Å; W78-V105 HydrophobicContact CE3-CG1 3.79Å; W78-V105 HydrophobicContact CE3-CG2 4.48Å; W78-V105 HydrophobicContact CG-CG1 4.25Å; W78-V105 HydrophobicContact CH2-CG2 4.38Å; W78-V105 HydrophobicContact CZ2-CG2 4.07Å; W78-V105 HydrophobicContact CZ3-CG1 4.32Å; W78-K106 HydrophobicContact CZ3-CB 4.24Å; W78-K106 HydrophobicContact CZ3-CG 4.49Å; W78-Y109 AromaticContact CH2-CD1 3.85Å; W78-Y109 HydrophobicContact CH2-CD1 3.85Å; W78-Y109 HydrophobicContact CH2-CD2 4.21Å; W78-Y109 AromaticContact CH2-CG 3.65Å; W78-Y109 HydrophobicContact CH2-CG 3.65Å; W78-Y109 HydrophobicContact CZ2-CD1 4.3Å; W78-Y109 AromaticContact CZ2-CD2 3.9Å; W78-Y109 HydrophobicContact CZ2-CD2 3.9Å; W78-Y109 HydrophobicContact CZ2-CE2 4.4Å; W78-Y109 AromaticContact CZ2-CG 3.83Å; W78-Y109 HydrophobicContact CZ2-CG 3.83Å
79	K	85.5	Confident	83.1	Confident	110 Å²	110	84.1 Å²	84.1	48%	0.478	41%	0.408	S	S	.	.	H	α-helix	trans	-63.8	-50.4	174	-78.3	167.7	177.5	-179.6	0	111.5	I75 I76 Q77 K83 I102	I75-K79 VanDerWaalsContact O-CG 3.29Å; I75-K79 WeakPolarHBondContact O-CG 3.4Å; I75-K79 PolarHBondContact O-N 2.85Å; I76-K79 WeakPolarHBondContact O-CB 3.27Å; I76-K79 PolarHBondContact O-N 2.86Å; I76-K79 VanDerWaalsContact O-N 3.13Å; Q77-K79 PolarHBondContact O-N 3.28Å; K79-K83 WeakPolarHBondContact O-CB 3.09Å; K79-K83 PolarHBondContact O-N 3.46Å; K79-K83 VanDerWaalsContact O-N 3.07Å; K79-I102 HydrophobicContact CB-CD1 4.31Å; K79-I102 HydrophobicContact CG-CD1 3.74Å
80	E	89	Confident	84.4	Confident	87 Å²	87	79.2 Å²	79.2	41%	0.407	37%	0.374	S	S	.	.	H	α-helix	trans	-71.3	-32.1	179.9	-64.6	-56.8	115.1	0	0	112.2	I76 Q77 K83 R84	I76-E80 PolarHBondContact O-N 3.48Å; Q77-E80 PolarHBondContact O-N 2.98Å; E80-K83 PolarHBondContact O-N 2.87Å; E80-K83 VanDerWaalsContact OE1-CD 3.32Å; E80-K83 WeakPolarHBondContact OE1-CD 3.43Å; E80-K83 IonicContact OE1-NZ 2.63Å; E80-K83 PolarHBondContact OE1-NZ 3.42Å; E80-K83 WeakPolarHBondContact OE2-CD 3.49Å; E80-K83 IonicContact OE2-NZ 3.12Å; E80-K83 PolarHBondContact OE2-NZ 3.47Å; E80-R84 WeakPolarHBondContact O-CG 3.43Å; E80-R84 PolarHBondContact O-N 3.02Å
81	E	84.7	Confident	84.4	Confident	24 Å²	24	80.9 Å²	80.9	11%	0.112	39%	0.386	C	S	.	.	H	α-helix	trans	-69.9	-43.4	175.4	-169.5	60.3	-168.9	0	0	112.3	Q77 K83 R84 R85	Q77-E81 WeakPolarHBondContact O-CB 3.27Å; Q77-E81 PolarHBondContact O-N 3.46Å; E81-K83 PolarHBondContact O-N 3.05Å; E81-R84 PolarHBondContact O-N 3.04Å; E81-R84 VanDerWaalsContact O-N 3.17Å; E81-R84 IonicContact OE2-CZ 2.8Å; E81-R84 IonicContact OE2-NE 3.18Å; E81-R84 PolarHBondContact OE2-NE 2.96Å; E81-R84 IonicContact OE2-NH2 2.75Å; E81-R84 PolarHBondContact OE2-NH2 3.44Å; E81-R85 PolarHBondContact O-N 3.2Å; E81-R85 WeakPolarHBondContact OE1-CD 3.41Å; E81-R85 IonicContact OE1-CZ 2.71Å; E81-R85 IonicContact OE1-NE 3.3Å; E81-R85 IonicContact OE1-NH1 2.85Å; E81-R85 PolarHBondContact OE1-NH1 3.06Å; E81-R85 IonicContact OE2-NH1 3.28Å
82	F	89.3	Confident	84	Confident	73 Å²	73	79.2 Å²	79.2	32%	0.32	38%	0.375	S	S	.	.	H	α-helix	trans	-57.9	-40.4	171.4	-175.7	-111.3	0	0	0	111.7	W78 R84 S86 V88 P100 I102	W78-F82 WeakPolarHBondContact O-CB 3.36Å; W78-F82 PolarHBondContact O-N 3.44Å; F82-R84 VanDerWaalsContact C-N 3.34Å; F82-R84 PolarHBondContact O-N 2.96Å; F82-S86 WeakPolarHBondContact CD2-O 3.48Å; F82-S86 WeakPolarHBondContact CE2-O 3.49Å; F82-S86 WeakPolarHBondContact O-CA 3.22Å; F82-S86 PolarHBondContact O-N 3.33Å; F82-V88 HydrophobicContact CB-CG2 3.6Å; F82-V88 HydrophobicContact CD2-CG2 4.2Å; F82-V88 HydrophobicContact CG-CG2 4.36Å; F82-P100 WeakPolarHBondContact CE2-O 3.27Å; F82-I102 HydrophobicContact CB-CD1 4.13Å; F82-I102 HydrophobicContact CB-CG1 3.93Å; F82-I102 HydrophobicContact CD1-CD1 4.1Å; F82-I102 HydrophobicContact CD1-CG1 4.21Å; F82-I102 HydrophobicContact CG-CD1 4.27Å; F82-I102 HydrophobicContact CG-CG1 3.98Å
83	K	88.5	Confident	83.6	Confident	147 Å²	147	80.8 Å²	80.8	64%	0.639	38%	0.378	S	S	*	.	H	α-helix	trans	-71.1	-23.4	179.6	-175.1	-170.8	-177.2	-168.1	0	113.6	K79 E80 E81	K79-K83 WeakPolarHBondContact O-CB 3.09Å; K79-K83 PolarHBondContact O-N 3.46Å; K79-K83 VanDerWaalsContact O-N 3.07Å; E80-K83 PolarHBondContact O-N 2.87Å; E80-K83 VanDerWaalsContact OE1-CD 3.32Å; E80-K83 WeakPolarHBondContact OE1-CD 3.43Å; E80-K83 IonicContact OE1-NZ 2.63Å; E80-K83 PolarHBondContact OE1-NZ 3.42Å; E80-K83 WeakPolarHBondContact OE2-CD 3.49Å; E80-K83 IonicContact OE2-NZ 3.12Å; E80-K83 PolarHBondContact OE2-NZ 3.47Å; E81-K83 PolarHBondContact O-N 3.05Å
84	R	83.9	Confident	82.6	Confident	184 Å²	184	78.3 Å²	78.3	69%	0.694	39%	0.386	S	S	*	.	H	α-helix	trans	-92	-37.3	173.7	-70.7	-170.6	-55.6	-167	3.6	114	E80 E81 F82	E80-R84 WeakPolarHBondContact O-CG 3.43Å; E80-R84 PolarHBondContact O-N 3.02Å; E81-R84 PolarHBondContact O-N 3.04Å; E81-R84 VanDerWaalsContact O-N 3.17Å; E81-R84 IonicContact OE2-CZ 2.8Å; E81-R84 IonicContact OE2-NE 3.18Å; E81-R84 PolarHBondContact OE2-NE 2.96Å; E81-R84 IonicContact OE2-NH2 2.75Å; E81-R84 PolarHBondContact OE2-NH2 3.44Å; F82-R84 VanDerWaalsContact C-N 3.34Å; F82-R84 PolarHBondContact O-N 2.96Å
85	R	75.1	Confident	82.3	Confident	159 Å²	159	78.6 Å²	78.6	60%	0.6	39%	0.389	S	S	*	.	H	α-helix	trans	-121.5	0.6	-169.7	-62.2	-160.4	174.1	127.4	-10.2	115.3	E81 R87	E81-R85 PolarHBondContact O-N 3.2Å; E81-R85 WeakPolarHBondContact OE1-CD 3.41Å; E81-R85 IonicContact OE1-CZ 2.71Å; E81-R85 IonicContact OE1-NE 3.3Å; E81-R85 IonicContact OE1-NH1 2.85Å; E81-R85 PolarHBondContact OE1-NH1 3.06Å; E81-R85 IonicContact OE2-NH1 3.28Å; R85-R87 PolarHBondContact O-N 3.21Å
86	S	82.6	Confident	81.7	Confident	78 Å²	78	83.7 Å²	83.7	55%	0.545	41%	0.406	S	S	.	.	S	Bend	trans	58.7	3.1	-172.5	75.2	0	0	0	0	115.8	F82	F82-S86 WeakPolarHBondContact CD2-O 3.48Å; F82-S86 WeakPolarHBondContact CE2-O 3.49Å; F82-S86 WeakPolarHBondContact O-CA 3.22Å; F82-S86 PolarHBondContact O-N 3.33Å
87	R	83.4	Confident	81.3	Confident	116 Å²	116	83.1 Å²	83.1	44%	0.438	40%	0.403	S	S	.	.	S	Bend	trans	-144.1	149.1	-176.4	-69.5	179.7	175.6	-99.3	-1.6	109.1	R85 E98 F99	R85-R87 PolarHBondContact O-N 3.21Å; R87-E98 HydrophobicContact CB-CB 4.35Å; R87-E98 WeakPolarHBondContact CD-OE2 3.43Å; R87-F99 WeakPolarHBondContact CA-O 3.41Å
88	V	88.9	Confident	81.2	Confident	1 Å²	1	81.2 Å²	81.2	1%	0.006	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	125.7	176.6	-169.6	0	0	0	0	109.7	W78 F82 E98 F99 V105	W78-V88 HydrophobicContact CB-CG1 3.79Å; W78-V88 HydrophobicContact CB-CG2 4.4Å; W78-V88 VanDerWaalsContact CD1-CG1 3.41Å; W78-V88 HydrophobicContact CD2-CG1 4.49Å; W78-V88 HydrophobicContact CG-CG1 3.62Å; W78-V88 WeakPolarHBondContact O-CG2 3.48Å; F82-V88 HydrophobicContact CB-CG2 3.6Å; F82-V88 HydrophobicContact CD2-CG2 4.2Å; F82-V88 HydrophobicContact CG-CG2 4.36Å; V88-E98 WeakPolarHBondContact O-CA 3.44Å; V88-F99 PolarHBondContact N-O 3.06Å; V88-F99 PolarHBondContact O-N 3.5Å; V88-V105 HydrophobicContact CB-CB 4.33Å; V88-V105 HydrophobicContact CB-CG1 3.96Å; V88-V105 HydrophobicContact CG1-CB 4.39Å; V88-V105 HydrophobicContact CG1-CG1 3.98Å; V88-V105 HydrophobicContact CG1-CG2 4.2Å; V88-V105 HydrophobicContact CG2-CG1 4.44Å
89	K	85.2	Confident	81	Confident	115 Å²	115	82.8 Å²	82.8	50%	0.5	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	147.9	173.6	-41.4	-151.6	-172.3	-138.6	0	110.4	P91 E98	K89-P91 WeakPolarHBondContact O-CD 3.41Å; K89-E98 HydrophobicContact CD-CG 4.31Å; K89-E98 WeakPolarHBondContact CD-OE1 3.28Å; K89-E98 WeakPolarHBondContact CE-OE1 3.39Å; K89-E98 HydrophobicContact CG-CG 4.04Å; K89-E98 IonicContact NZ-OE1 3.95Å; K89-E98 PolarHBondContact NZ-OE1 2.96Å
90	C	86	Confident	81	Confident	10 Å²	10	81.9 Å²	81.9	7%	0.068	41%	0.406	C	S	.	.			trans	-67.7	130.4	171.5	-167.6	0	0	0	0	111.1	C92 C95 L97	C90-C92 PolarHBondContact O-N 3.37Å; C90-C95 HydrophobicContact CB-CB 3.85Å; C90-C95 VanDerWaalsContact CB-SG 3.55Å; C90-L97 PolarHBondContact N-O 3.46Å; C90-L97 VanDerWaalsContact N-O 3.14Å
91	P	79.1	Confident	80.8	Confident	59 Å²	59	79.9 Å²	79.9	38%	0.383	40%	0.402	S	S	.	.			trans	-72.1	-5.9	174.8	-21.4	34	0	0	0	115.5	W78 K89 T93 Y109	W78-P91 HydrophobicContact CZ2-CG 3.93Å; K89-P91 WeakPolarHBondContact O-CD 3.41Å; P91-T93 PolarHBondContact O-N 3.14Å; P91-Y109 HydrophobicContact CB-CE2 4.34Å; P91-Y109 HydrophobicContact CG-CE2 4.43Å
92	C	73.4	Confident	80.8	Confident	16 Å²	16	80.7 Å²	80.7	11%	0.108	41%	0.407	C	S	.	.	S	Bend	trans	-72.1	122.9	178	-63.5	0	0	0	0	110.2	C90 G94 C95 Y109 C112	C90-C92 PolarHBondContact O-N 3.37Å; C92-G94 PolarHBondContact O-N 3.37Å; C92-C95 HydrophobicContact CB-CB 4.13Å; C92-C95 WeakPolarHBondContact O-CB 3.44Å; C92-C95 PolarHBondContact O-N 2.81Å; C92-Y109 VanDerWaalsContact SG-CD2 3.58Å; C92-C112 HydrophobicContact CB-CB 4.45Å
93	T	66	Low	80.6	Confident	105 Å²	105	86.4 Å²	86.4	64%	0.644	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	132	173.3	35.3	0	0	0	0	110.8	P91 P115	P91-T93 PolarHBondContact O-N 3.14Å; T93-P115 WeakPolarHBondContact OG1-CG 3.37Å
94	G	60.7	Low	80.5	Confident	71 Å²	71	80.6 Å²	80.6	73%	0.732	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	-4.3	-171.8	0	0	0	0	0	115.9	C92 W96	C92-G94 PolarHBondContact O-N 3.37Å; G94-W96 VanDerWaalsContact O-CD1 3.26Å
95	C	78.9	Confident	80.6	Confident	25 Å²	25	71.9 Å²	71.9	17%	0.169	38%	0.377	C	S	.	.			trans	-100.7	111.9	175.6	-171.4	0	0	0	0	113	C90 C92 H108	C90-C95 HydrophobicContact CB-CB 3.85Å; C90-C95 VanDerWaalsContact CB-SG 3.55Å; C92-C95 HydrophobicContact CB-CB 4.13Å; C92-C95 WeakPolarHBondContact O-CB 3.44Å; C92-C95 PolarHBondContact O-N 2.81Å; C95-H108 PolarHBondContact SG-NE2 3.29Å
96	W	70.8	Confident	81	Confident	154 Å²	154	69.1 Å²	69.1	58%	0.583	37%	0.369	S	S	*	.			trans	-93.8	6.9	-176.1	-57.9	77.5	0	0	0	113.8	G94 E129	G94-W96 VanDerWaalsContact O-CD1 3.26Å; W96-E129 HydrophobicContact CH2-CB 4.49Å; W96-E129 HydrophobicContact CZ2-CB 3.84Å; W96-E129 WeakPolarHBondContact CZ2-OE2 3.46Å
97	L	80	Confident	81.1	Confident	92 Å²	92	72.3 Å²	72.3	48%	0.482	37%	0.37	S	S	.	.			trans	-78.3	128.5	-172.7	-68.4	172	0	0	0	112.6	C90 F99	C90-L97 PolarHBondContact N-O 3.46Å; C90-L97 VanDerWaalsContact N-O 3.14Å; L97-F99 HydrophobicContact CB-CE2 3.58Å; L97-F99 HydrophobicContact CB-CZ 3.64Å; L97-F99 HydrophobicContact CD1-CZ 4.08Å; L97-F99 HydrophobicContact CG-CZ 4.47Å
98	E	83.9	Confident	81.1	Confident	75 Å²	75	68.6 Å²	68.6	35%	0.35	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.9	175.9	-56.9	-162.7	172.5	0	0	112.2	R87 V88 K89	R87-E98 HydrophobicContact CB-CB 4.35Å; R87-E98 WeakPolarHBondContact CD-OE2 3.43Å; V88-E98 WeakPolarHBondContact O-CA 3.44Å; K89-E98 HydrophobicContact CD-CG 4.31Å; K89-E98 WeakPolarHBondContact CD-OE1 3.28Å; K89-E98 WeakPolarHBondContact CE-OE1 3.39Å; K89-E98 HydrophobicContact CG-CG 4.04Å; K89-E98 IonicContact NZ-OE1 3.95Å; K89-E98 PolarHBondContact NZ-OE1 2.96Å
99	F	86.9	Confident	80.8	Confident	38 Å²	38	70.1 Å²	70.1	17%	0.167	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	127.8	-174.6	-61.6	-87.5	0	0	0	111.6	R87 V88 L97 S101 V105 H108	R87-F99 WeakPolarHBondContact CA-O 3.41Å; V88-F99 PolarHBondContact N-O 3.06Å; V88-F99 PolarHBondContact O-N 3.5Å; L97-F99 HydrophobicContact CB-CE2 3.58Å; L97-F99 HydrophobicContact CB-CZ 3.64Å; L97-F99 HydrophobicContact CD1-CZ 4.08Å; L97-F99 HydrophobicContact CG-CZ 4.47Å; F99-S101 PolarHBondContact O-N 3.23Å; F99-V105 HydrophobicContact CB-CB 4.05Å; F99-V105 HydrophobicContact CD2-CB 3.65Å; F99-V105 HydrophobicContact CD2-CG2 4.1Å; F99-V105 HydrophobicContact CE2-CB 4.46Å; F99-V105 HydrophobicContact CG-CB 4Å; F99-H108 HydrophobicContact CE1-CB 3.82Å; F99-H108 HydrophobicContact CE2-CB 3.84Å; F99-H108 AromaticContact CE2-CD2 3.67Å; F99-H108 AromaticContact CE2-CG 3.78Å; F99-H108 HydrophobicContact CZ-CB 3.32Å; F99-H108 AromaticContact CZ-CD2 3.65Å; F99-H108 AromaticContact CZ-CG 3.29Å; F99-H108 AromaticContact CZ-ND1 3.96Å
100	P	83.8	Confident	80.8	Confident	90 Å²	90	67 Å²	67	58%	0.584	35%	0.351	S	S	*	.	S	Bend	trans	-77.4	23.3	173.9	35.3	-37.3	0	0	0	112.6	F82	F82-P100 WeakPolarHBondContact CE2-O 3.27Å
101	S	86.3	Confident	80.2	Confident	45 Å²	45	72.2 Å²	72.2	32%	0.315	37%	0.369	S	S	.	.	S	Bend	trans	-162.1	138.6	177.3	175.2	0	0	0	0	110.3	F99 Y103 G104 V105	F99-S101 PolarHBondContact O-N 3.23Å; S101-Y103 PolarHBondContact O-N 2.92Å; S101-Y103 PolarHBondContact OG-N 3.18Å; S101-G104 PolarHBondContact O-N 2.85Å; S101-V105 PolarHBondContact O-N 2.79Å
102	I	84.7	Confident	80.2	Confident	42 Å²	42	69.8 Å²	69.8	22%	0.215	35%	0.353	C	S	.	.	H	α-helix	trans	-61	-31.4	175.9	-57.1	170.2	0	0	0	110.8	W78 K79 F82 G104 V105 K106	W78-I102 HydrophobicContact CB-CG2 4.43Å; K79-I102 HydrophobicContact CB-CD1 4.31Å; K79-I102 HydrophobicContact CG-CD1 3.74Å; F82-I102 HydrophobicContact CB-CD1 4.13Å; F82-I102 HydrophobicContact CB-CG1 3.93Å; F82-I102 HydrophobicContact CD1-CD1 4.1Å; F82-I102 HydrophobicContact CD1-CG1 4.21Å; F82-I102 HydrophobicContact CG-CD1 4.27Å; F82-I102 HydrophobicContact CG-CG1 3.98Å; I102-G104 VanDerWaalsContact C-N 3.35Å; I102-V105 VanDerWaalsContact O-CG1 3.26Å; I102-V105 WeakPolarHBondContact O-CG1 3.44Å; I102-K106 VanDerWaalsContact O-CB 3.27Å; I102-K106 WeakPolarHBondContact O-CB 3.49Å; I102-K106 PolarHBondContact O-N 2.81Å
103	Y	85.6	Confident	79.6	Confident	192 Å²	192	73.3 Å²	73.3	75%	0.753	38%	0.376	S	S	*	.	H	α-helix	trans	-67.9	-33.7	174.4	-66.9	-82.1	0	0	0	112.7	S101 K106 Y107	S101-Y103 PolarHBondContact O-N 2.92Å; S101-Y103 PolarHBondContact OG-N 3.18Å; Y103-K106 PolarHBondContact O-N 3.25Å; Y103-Y107 WeakPolarHBondContact O-CB 3.5Å; Y103-Y107 PolarHBondContact O-N 2.86Å
104	G	84.4	Confident	79.5	Confident	26 Å²	26	69.2 Å²	69.2	27%	0.268	36%	0.355	S	S	.	.	H	α-helix	trans	-65.8	-51.5	177.1	0	0	0	0	0	111.9	S101 I102 K106 Y107 H108	S101-G104 PolarHBondContact O-N 2.85Å; I102-G104 VanDerWaalsContact C-N 3.35Å; G104-K106 VanDerWaalsContact C-N 3.32Å; G104-K106 PolarHBondContact O-N 3.38Å; G104-Y107 PolarHBondContact O-N 3.35Å; G104-H108 WeakPolarHBondContact O-CB 3.29Å; G104-H108 PolarHBondContact O-N 3.4Å
105	V	86.5	Confident	79	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-64.4	-35.9	175.4	62.8	0	0	0	0	111.5	W78 V88 F99 S101 I102 H108 Y109	W78-V105 HydrophobicContact CD2-CG1 3.9Å; W78-V105 HydrophobicContact CD2-CG2 4.19Å; W78-V105 HydrophobicContact CE3-CG1 3.79Å; W78-V105 HydrophobicContact CE3-CG2 4.48Å; W78-V105 HydrophobicContact CG-CG1 4.25Å; W78-V105 HydrophobicContact CH2-CG2 4.38Å; W78-V105 HydrophobicContact CZ2-CG2 4.07Å; W78-V105 HydrophobicContact CZ3-CG1 4.32Å; V88-V105 HydrophobicContact CB-CB 4.33Å; V88-V105 HydrophobicContact CB-CG1 3.96Å; V88-V105 HydrophobicContact CG1-CB 4.39Å; V88-V105 HydrophobicContact CG1-CG1 3.98Å; V88-V105 HydrophobicContact CG1-CG2 4.2Å; V88-V105 HydrophobicContact CG2-CG1 4.44Å; F99-V105 HydrophobicContact CB-CB 4.05Å; F99-V105 HydrophobicContact CD2-CB 3.65Å; F99-V105 HydrophobicContact CD2-CG2 4.1Å; F99-V105 HydrophobicContact CE2-CB 4.46Å; F99-V105 HydrophobicContact CG-CB 4Å; S101-V105 PolarHBondContact O-N 2.79Å; I102-V105 VanDerWaalsContact O-CG1 3.26Å; I102-V105 WeakPolarHBondContact O-CG1 3.44Å; V105-H108 PolarHBondContact O-N 2.75Å; V105-Y109 WeakPolarHBondContact O-CB 3.48Å; V105-Y109 PolarHBondContact O-N 2.91Å
106	K	84.9	Confident	77	Confident	101 Å²	101	74.3 Å²	74.3	44%	0.439	37%	0.373	S	S	.	.	H	α-helix	trans	-59.4	-51.7	174.7	-166.5	-167.4	178.9	-175.9	0	111.8	I70 W78 I102 Y103 G104 H108 Q110	I70-K106 HydrophobicContact CD1-CB 4.42Å; I70-K106 HydrophobicContact CD1-CD 4.47Å; I70-K106 HydrophobicContact CD1-CG 3.43Å; I70-K106 VanDerWaalsContact CD1-CG 3.43Å; W78-K106 HydrophobicContact CZ3-CB 4.24Å; W78-K106 HydrophobicContact CZ3-CG 4.49Å; I102-K106 VanDerWaalsContact O-CB 3.27Å; I102-K106 WeakPolarHBondContact O-CB 3.49Å; I102-K106 PolarHBondContact O-N 2.81Å; Y103-K106 PolarHBondContact O-N 3.25Å; G104-K106 VanDerWaalsContact C-N 3.32Å; G104-K106 PolarHBondContact O-N 3.38Å; K106-H108 VanDerWaalsContact C-N 3.34Å; K106-Q110 WeakPolarHBondContact O-CB 3.16Å; K106-Q110 PolarHBondContact O-N 3.16Å
107	Y	83.5	Confident	75.7	Confident	146 Å²	146	73.4 Å²	73.4	57%	0.573	38%	0.384	S	S	*	.	H	α-helix	trans	-64.9	-39.3	-179.6	-175.7	-94.5	0	0	0	112.1	Y103 G104 R111	Y103-Y107 WeakPolarHBondContact O-CB 3.5Å; Y103-Y107 PolarHBondContact O-N 2.86Å; G104-Y107 PolarHBondContact O-N 3.35Å; Y107-R111 VanDerWaalsContact CE2-CZ 3.45Å; Y107-R111 PolarHBondContact OH-NE 3.44Å
108	H	83.7	Confident	74.2	Confident	38 Å²	38	73.7 Å²	73.7	18%	0.176	40%	0.4	C	S	.	.	H	α-helix	trans	-69.6	-51	178.3	175.8	69.5	0	0	0	112.6	C95 F99 G104 V105 K106 Q110 R111 C112	C95-H108 PolarHBondContact SG-NE2 3.29Å; F99-H108 HydrophobicContact CE1-CB 3.82Å; F99-H108 HydrophobicContact CE2-CB 3.84Å; F99-H108 AromaticContact CE2-CD2 3.67Å; F99-H108 AromaticContact CE2-CG 3.78Å; F99-H108 HydrophobicContact CZ-CB 3.32Å; F99-H108 AromaticContact CZ-CD2 3.65Å; F99-H108 AromaticContact CZ-CG 3.29Å; F99-H108 AromaticContact CZ-ND1 3.96Å; G104-H108 WeakPolarHBondContact O-CB 3.29Å; G104-H108 PolarHBondContact O-N 3.4Å; V105-H108 PolarHBondContact O-N 2.75Å; K106-H108 VanDerWaalsContact C-N 3.34Å; H108-Q110 VanDerWaalsContact C-N 3.28Å; H108-Q110 PolarHBondContact O-N 3.02Å; H108-R111 CarbonylContact O-C 3.58Å; H108-R111 VanDerWaalsContact O-C 3.24Å; H108-R111 WeakPolarHBondContact O-CA 3.21Å; H108-R111 PolarHBondContact O-N 3.15Å; H108-C112 PolarHBondContact NE2-SG 3.05Å; H108-C112 VanDerWaalsContact NE2-SG 3.35Å; H108-C112 WeakPolarHBondContact O-CB 3.4Å; H108-C112 PolarHBondContact O-N 3.05Å
109	Y	82.7	Confident	72.5	Confident	32 Å²	32	78.1 Å²	78.1	13%	0.125	42%	0.42	C	S	.	.	H	α-helix	trans	-57.2	-41.7	-179.2	177.5	-90.8	0	0	0	111.9	I70 L74 W78 P91 C92 V105 R111 C112	I70-Y109 HydrophobicContact CD1-CD1 4.07Å; I70-Y109 HydrophobicContact CG1-CD1 3.84Å; I70-Y109 HydrophobicContact CG1-CE1 4.09Å; I70-Y109 HydrophobicContact CG2-CD1 4.32Å; I70-Y109 HydrophobicContact CG2-CE1 4.26Å; L74-Y109 HydrophobicContact CD1-CE1 4.4Å; L74-Y109 HydrophobicContact CD1-CE2 4.09Å; L74-Y109 WeakPolarHBondContact CD1-OH 3.48Å; W78-Y109 AromaticContact CH2-CD1 3.85Å; W78-Y109 HydrophobicContact CH2-CD1 3.85Å; W78-Y109 HydrophobicContact CH2-CD2 4.21Å; W78-Y109 AromaticContact CH2-CG 3.65Å; W78-Y109 HydrophobicContact CH2-CG 3.65Å; W78-Y109 HydrophobicContact CZ2-CD1 4.3Å; W78-Y109 AromaticContact CZ2-CD2 3.9Å; W78-Y109 HydrophobicContact CZ2-CD2 3.9Å; W78-Y109 HydrophobicContact CZ2-CE2 4.4Å; W78-Y109 AromaticContact CZ2-CG 3.83Å; W78-Y109 HydrophobicContact CZ2-CG 3.83Å; P91-Y109 HydrophobicContact CB-CE2 4.34Å; P91-Y109 HydrophobicContact CG-CE2 4.43Å; C92-Y109 VanDerWaalsContact SG-CD2 3.58Å; V105-Y109 WeakPolarHBondContact O-CB 3.48Å; V105-Y109 PolarHBondContact O-N 2.91Å; Y109-R111 PolarHBondContact O-N 3.35Å; Y109-R111 VanDerWaalsContact O-N 3.1Å; Y109-C112 PolarHBondContact O-N 3.47Å; Y109-C112 VanDerWaalsContact O-N 3.15Å
110	Q	84.1	Confident	70.8	Confident	51 Å²	51	83.9 Å²	83.9	24%	0.238	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.6	175.5	-163.5	-178.8	51.9	0	0	113.8	L67 I70 K106 H108	L67-Q110 HydrophobicContact CB-CG 3.74Å; L67-Q110 HydrophobicContact CD2-CG 4.1Å; L67-Q110 HydrophobicContact CG-CG 4.45Å; I70-Q110 HydrophobicContact CD1-CB 4.45Å; K106-Q110 WeakPolarHBondContact O-CB 3.16Å; K106-Q110 PolarHBondContact O-N 3.16Å; H108-Q110 VanDerWaalsContact C-N 3.28Å; H108-Q110 PolarHBondContact O-N 3.02Å
111	R	75.1	Confident	69.4	Low	118 Å²	118	84.4 Å²	84.4	45%	0.445	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	10.5	179.3	-70.6	167.5	178.9	66.1	9.1	112.6	Y107 H108 Y109	Y107-R111 VanDerWaalsContact CE2-CZ 3.45Å; Y107-R111 PolarHBondContact OH-NE 3.44Å; H108-R111 CarbonylContact O-C 3.58Å; H108-R111 VanDerWaalsContact O-C 3.24Å; H108-R111 WeakPolarHBondContact O-CA 3.21Å; H108-R111 PolarHBondContact O-N 3.15Å; Y109-R111 PolarHBondContact O-N 3.35Å; Y109-R111 VanDerWaalsContact O-N 3.1Å
112	C	78.4	Confident	68.2	Low	8 Å²	8	88 Å²	88	5%	0.054	46%	0.458	C	S	.	.			trans	-83.7	121.3	-178.8	-164.6	0	0	0	0	107.8	R68 C92 H108 Y109 G114	R68-C112 PolarHBondContact NE-O 2.87Å; R68-C112 PolarHBondContact NH2-O 3.09Å; C92-C112 HydrophobicContact CB-CB 4.45Å; H108-C112 PolarHBondContact NE2-SG 3.05Å; H108-C112 VanDerWaalsContact NE2-SG 3.35Å; H108-C112 WeakPolarHBondContact O-CB 3.4Å; H108-C112 PolarHBondContact O-N 3.05Å; Y109-C112 PolarHBondContact O-N 3.47Å; Y109-C112 VanDerWaalsContact O-N 3.15Å; C112-G114 PolarHBondContact O-N 2.84Å
113	P	61.4	Low	67.6	Low	91 Å²	91	89.2 Å²	89.2	59%	0.591	46%	0.463	S	S	*	.			trans	-64.4	-28.7	-180	25.2	-33.3	0	0	0	111.8	R68	R68-P113 PolarHBondContact NH2-O 2.74Å
114	G	63.2	Low	67.1	Low	19 Å²	19	82.3 Å²	82.3	20%	0.196	45%	0.45	C	S	.	.			trans	62.8	-161.8	-169.7	0	0	0	0	0	111.1	C112 T116	C112-G114 PolarHBondContact O-N 2.84Å; G114-T116 VanDerWaalsContact C-N 3.3Å; G114-T116 PolarHBondContact O-N 3.13Å
115	P	49.5	Very low	66.9	Low	91 Å²	91	81.8 Å²	81.8	59%	0.591	44%	0.442	S	S	*	.			trans	-79.8	76.2	176.2	34.4	-36.2	0	0	0	111.1	T93 V117	T93-P115 WeakPolarHBondContact OG1-CG 3.37Å; P115-V117 PolarHBondContact O-N 3.5Å
116	T	38.5	Very low	66.3	Low	112 Å²	112	86.1 Å²	86.1	69%	0.687	47%	0.47	S	S	*	.			trans	-66.1	122.5	156.6	48.1	0	0	0	0	108.1	G114 A118	G114-T116 VanDerWaalsContact C-N 3.3Å; G114-T116 PolarHBondContact O-N 3.13Å; T116-A118 PolarHBondContact O-N 2.91Å
117	V	41.8	Very low	65.5	Low	134 Å²	134	84.8 Å²	84.8	81%	0.812	46%	0.463	S	S	*	.			trans	-62.7	125	-161.5	178.4	0	0	0	0	113.1	P115 E119	P115-V117 PolarHBondContact O-N 3.5Å; V117-E119 PolarHBondContact O-N 3.44Å
118	A	48.3	Very low	65.2	Low	98 Å²	98	79.9 Å²	79.9	81%	0.81	45%	0.45	S	S	*	.			trans	51.5	23.9	152.4	0	0	0	0	0	120.9	T116 K120	T116-A118 PolarHBondContact O-N 2.91Å; A118-K120 PolarHBondContact O-N 2.85Å
119	E	48.9	Very low	64.7	Low	169 Å²	169	86 Å²	86	79%	0.79	48%	0.478	S	S	*	.	S	Bend	trans	-96.1	83.8	171.7	-153.7	166.5	-160.8	0	0	114	V117 L121	V117-E119 PolarHBondContact O-N 3.44Å; E119-L121 PolarHBondContact O-N 2.91Å
120	K	51.5	Low	64.3	Low	158 Å²	158	85.1 Å²	85.1	69%	0.687	48%	0.478	S	S	*	.			trans	55.1	50.3	154.1	-62.5	176.7	-177.4	169.8	0	117.7	A118 N122	A118-K120 PolarHBondContact O-N 2.85Å; K120-N122 WeakPolarHBondContact CA-OD1 3.34Å; K120-N122 PolarHBondContact O-N 3.16Å; K120-N122 PolarHBondContact O-OD1 3.39Å
121	L	54.2	Low	64.2	Low	102 Å²	102	85.1 Å²	85.1	53%	0.534	49%	0.486	S	S	.	.			trans	-72.3	66.4	161.3	-69.7	171.7	0	0	0	111.6	E119 H123 A131 A133	E119-L121 PolarHBondContact O-N 2.91Å; L121-H123 PolarHBondContact O-N 3.34Å; L121-A131 HydrophobicContact CB-CB 4.09Å; L121-A131 HydrophobicContact CD1-CB 4.18Å; L121-A133 HydrophobicContact CD2-CB 3.89Å
122	N	61.5	Low	64.5	Low	120 Å²	120	81.5 Å²	81.5	64%	0.642	47%	0.474	S	S	*	.			trans	-67.4	4.7	-167.7	-65.4	-10.6	0	0	0	116.2	K120	K120-N122 WeakPolarHBondContact CA-OD1 3.34Å; K120-N122 PolarHBondContact O-N 3.16Å; K120-N122 PolarHBondContact O-OD1 3.39Å
123	H	71.9	Confident	64.2	Low	68 Å²	68	84 Å²	84	32%	0.315	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	83.3	-175.6	-55.8	-50.4	0	0	0	112.1	L121 F132 K135 L138	L121-H123 PolarHBondContact O-N 3.34Å; H123-F132 PolarHBondContact O-N 3.16Å; H123-K135 PolarHBondContact CD2-N 3.35Å; H123-L138 HydrophobicContact CB-CB 4.44Å; H123-L138 HydrophobicContact CB-CD2 3.95Å
124	G	74.3	Confident	64.9	Low	46 Å²	46	82.3 Å²	82.3	47%	0.474	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	151.9	168.5	0	0	0	0	0	113.2	L138	G124-L138 VanDerWaalsContact O-CD2 3.29Å; G124-L138 WeakPolarHBondContact O-CD2 3.27Å
125	C	81.7	Confident	65.6	Low	15 Å²	15	88.1 Å²	88.1	10%	0.101	50%	0.503	C	S	.	.			trans	-81.7	132.9	168.8	-167.7	0	0	0	0	110.5	Y127 C128 A130 F132 L138 H141	C125-Y127 VanDerWaalsContact C-N 3.26Å; C125-Y127 PolarHBondContact O-N 3.01Å; C125-C128 WeakPolarHBondContact CB-O 3.38Å; C125-A130 WeakPolarHBondContact CB-O 3.45Å; C125-A130 PolarHBondContact N-O 3.49Å; C125-F132 HydrophobicContact CB-CE2 4.47Å; C125-L138 HydrophobicContact CB-CD1 3.55Å; C125-H141 PolarHBondContact SG-NE2 3.06Å; C125-H141 VanDerWaalsContact SG-NE2 3.42Å
126	P	73.8	Confident	67.1	Low	92 Å²	92	88.1 Å²	88.1	60%	0.597	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	1.2	177.4	31	-34.2	0	0	0	114.2
127	Y	66.9	Low	68.8	Low	73 Å²	73	90.4 Å²	90.4	29%	0.286	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-0.1	177.7	-25.1	-70.8	0	0	0	114.3	C125 K142 H146 E153	C125-Y127 VanDerWaalsContact C-N 3.26Å; C125-Y127 PolarHBondContact O-N 3.01Å; Y127-K142 HydrophobicContact CE2-CD 3.83Å; Y127-K142 HydrophobicContact CE2-CG 3.97Å; Y127-K142 WeakPolarHBondContact OH-CE 3.35Å; Y127-K142 PolarHBondContact OH-NZ 3.11Å; Y127-H146 HydrophobicContact CD2-CB 4.24Å; Y127-H146 AromaticContact CD2-CD2 3.73Å; Y127-H146 AromaticContact CD2-CG 3.92Å; Y127-E153 PolarHBondContact OH-OE1 3.37Å; Y127-E153 PolarHBondContact OH-OE2 2.88Å
128	C	77	Confident	70.8	Confident	43 Å²	43	85 Å²	85	29%	0.291	46%	0.463	S	S	.	.	S	Bend	trans	-164	163.1	168	65.3	0	0	0	0	110.3	C125 A130 H141 H146	C125-C128 WeakPolarHBondContact CB-O 3.38Å; C128-A130 PolarHBondContact O-N 2.8Å; C128-H141 VanDerWaalsContact SG-CE1 3.56Å; C128-H141 PolarHBondContact SG-NE2 2.86Å; C128-H146 PolarHBondContact SG-NE2 3.47Å
129	E	73.4	Confident	72.1	Confident	166 Å²	166	85.9 Å²	85.9	78%	0.776	45%	0.451	S	S	*	.	S	Bend	trans	-71.2	16.5	-174.3	-60.3	168.4	-177.2	0	0	114.9	W96 A131	W96-E129 HydrophobicContact CH2-CB 4.49Å; W96-E129 HydrophobicContact CZ2-CB 3.84Å; W96-E129 WeakPolarHBondContact CZ2-OE2 3.46Å; E129-A131 PolarHBondContact O-N 3.34Å
130	A	75.9	Confident	73.8	Confident	14 Å²	14	84.3 Å²	84.3	12%	0.116	44%	0.442	C	S	.	.			trans	-79.6	117.8	-179.8	0	0	0	0	0	111.7	C125 C128 F132	C125-A130 WeakPolarHBondContact CB-O 3.45Å; C125-A130 PolarHBondContact N-O 3.49Å; C128-A130 PolarHBondContact O-N 2.8Å; A130-F132 HydrophobicContact CB-CE2 3.59Å; A130-F132 HydrophobicContact CB-CZ 3.69Å; A130-F132 VanDerWaalsContact O-CE2 3.3Å; A130-F132 WeakPolarHBondContact O-CE2 3.19Å
131	A	81.2	Confident	75.3	Confident	50 Å²	50	78.1 Å²	78.1	41%	0.413	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	139.4	176.6	0	0	0	0	0	112.4	L121 E129	L121-A131 HydrophobicContact CB-CB 4.09Å; L121-A131 HydrophobicContact CD1-CB 4.18Å; E129-A131 PolarHBondContact O-N 3.34Å
132	F	81	Confident	76.6	Confident	43 Å²	43	75.5 Å²	75.5	19%	0.189	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.6	-172.4	-59.4	-87.4	0	0	0	112.3	H123 C125 A130 T134 R137 L138 H141	H123-F132 PolarHBondContact O-N 3.16Å; C125-F132 HydrophobicContact CB-CE2 4.47Å; A130-F132 HydrophobicContact CB-CE2 3.59Å; A130-F132 HydrophobicContact CB-CZ 3.69Å; A130-F132 VanDerWaalsContact O-CE2 3.3Å; A130-F132 WeakPolarHBondContact O-CE2 3.19Å; F132-T134 PolarHBondContact O-N 3.47Å; F132-T134 VanDerWaalsContact O-N 3.16Å; F132-R137 HydrophobicContact CB-CB 4.26Å; F132-R137 HydrophobicContact CD1-CB 3.96Å; F132-R137 HydrophobicContact CG-CB 4.4Å; F132-L138 HydrophobicContact CB-CB 4.09Å; F132-L138 HydrophobicContact CD2-CB 3.69Å; F132-L138 HydrophobicContact CD2-CD1 3.82Å; F132-L138 HydrophobicContact CD2-CG 4.35Å; F132-L138 HydrophobicContact CE2-CB 4.47Å; F132-L138 HydrophobicContact CE2-CD1 3.97Å; F132-L138 HydrophobicContact CG-CB 4.04Å; F132-H141 HydrophobicContact CE1-CB 3.88Å; F132-H141 HydrophobicContact CE2-CB 3.88Å; F132-H141 AromaticContact CE2-CD2 3.51Å; F132-H141 AromaticContact CE2-CG 3.66Å; F132-H141 HydrophobicContact CZ-CB 3.37Å; F132-H141 AromaticContact CZ-CD2 3.62Å; F132-H141 AromaticContact CZ-CG 3.26Å; F132-H141 AromaticContact CZ-ND1 3.77Å
133	A	72.9	Confident	77.6	Confident	61 Å²	61	74.7 Å²	74.7	50%	0.504	40%	0.395	S	S	.	.	S	Bend	trans	-68.5	-8.6	177.5	0	0	0	0	0	114.7	L121	L121-A133 HydrophobicContact CD2-CB 3.89Å
134	T	76.2	Confident	77.4	Confident	55 Å²	55	81.1 Å²	81.1	34%	0.337	42%	0.416	S	S	.	.	S	Bend	trans	-151.8	136.4	-176.7	58.5	0	0	0	0	110.5	F132 V136 R137 L138	F132-T134 PolarHBondContact O-N 3.47Å; F132-T134 VanDerWaalsContact O-N 3.16Å; T134-V136 VanDerWaalsContact C-N 3.25Å; T134-V136 PolarHBondContact O-N 2.98Å; T134-R137 PolarHBondContact O-N 2.88Å; T134-R137 WeakPolarHBondContact OG1-CB 3.34Å; T134-R137 VanDerWaalsContact OG1-CD 3.28Å; T134-R137 WeakPolarHBondContact OG1-CD 3.31Å; T134-R137 WeakPolarHBondContact OG1-CG 3.44Å; T134-L138 PolarHBondContact O-N 3.26Å
135	K	76.4	Confident	77.3	Confident	140 Å²	140	83.8 Å²	83.8	61%	0.609	42%	0.419	S	S	*	.	H	α-helix	trans	-54.2	-38.7	179.9	-169.1	178.1	177.7	-175.4	0	113	H123 R137 L138 E139	H123-K135 PolarHBondContact CD2-N 3.35Å; K135-R137 VanDerWaalsContact C-N 3.29Å; K135-R137 PolarHBondContact O-N 2.63Å; K135-L138 WeakPolarHBondContact O-CB 3.42Å; K135-L138 PolarHBondContact O-N 2.91Å; K135-L138 VanDerWaalsContact O-N 3.17Å; K135-E139 WeakPolarHBondContact O-CB 3.22Å; K135-E139 PolarHBondContact O-N 3.01Å
136	V	81.1	Confident	77.1	Confident	92 Å²	92	84.8 Å²	84.8	56%	0.558	42%	0.423	S	S	*	.	H	α-helix	trans	-61.5	-32.3	177.5	-177.4	0	0	0	0	113.2	T134 K140	T134-V136 VanDerWaalsContact C-N 3.25Å; T134-V136 PolarHBondContact O-N 2.98Å; V136-K140 WeakPolarHBondContact O-CG 3.33Å; V136-K140 PolarHBondContact O-N 2.78Å
137	R	75.6	Confident	76.4	Confident	159 Å²	159	84 Å²	84	60%	0.6	42%	0.417	S	S	*	.	H	α-helix	trans	-76	-39.1	175.4	-71.8	175.2	-173.9	165.5	2.3	111.4	F132 T134 K135 E139 H141	F132-R137 HydrophobicContact CB-CB 4.26Å; F132-R137 HydrophobicContact CD1-CB 3.96Å; F132-R137 HydrophobicContact CG-CB 4.4Å; T134-R137 PolarHBondContact O-N 2.88Å; T134-R137 WeakPolarHBondContact OG1-CB 3.34Å; T134-R137 VanDerWaalsContact OG1-CD 3.28Å; T134-R137 WeakPolarHBondContact OG1-CD 3.31Å; T134-R137 WeakPolarHBondContact OG1-CG 3.44Å; K135-R137 VanDerWaalsContact C-N 3.29Å; K135-R137 PolarHBondContact O-N 2.63Å; R137-E139 VanDerWaalsContact C-N 3.34Å; R137-H141 WeakPolarHBondContact O-CB 3.32Å; R137-H141 PolarHBondContact O-N 2.68Å
138	L	84.1	Confident	75.9	Confident	20 Å²	20	87 Å²	87	11%	0.105	43%	0.434	C	S	.	.	H	α-helix	trans	-60.4	-43.9	170.2	167.3	60.9	0	0	0	111.3	H123 G124 C125 F132 T134 K135 H141 K142	H123-L138 HydrophobicContact CB-CB 4.44Å; H123-L138 HydrophobicContact CB-CD2 3.95Å; G124-L138 VanDerWaalsContact O-CD2 3.29Å; G124-L138 WeakPolarHBondContact O-CD2 3.27Å; C125-L138 HydrophobicContact CB-CD1 3.55Å; F132-L138 HydrophobicContact CB-CB 4.09Å; F132-L138 HydrophobicContact CD2-CB 3.69Å; F132-L138 HydrophobicContact CD2-CD1 3.82Å; F132-L138 HydrophobicContact CD2-CG 4.35Å; F132-L138 HydrophobicContact CE2-CB 4.47Å; F132-L138 HydrophobicContact CE2-CD1 3.97Å; F132-L138 HydrophobicContact CG-CB 4.04Å; T134-L138 PolarHBondContact O-N 3.26Å; K135-L138 WeakPolarHBondContact O-CB 3.42Å; K135-L138 PolarHBondContact O-N 2.91Å; K135-L138 VanDerWaalsContact O-N 3.17Å; L138-H141 CarbonylContact O-C 3.56Å; L138-H141 WeakPolarHBondContact O-CA 3.38Å; L138-H141 WeakPolarHBondContact O-CB 3.44Å; L138-H141 PolarHBondContact O-N 2.89Å; L138-H141 VanDerWaalsContact O-N 3.14Å; L138-K142 HydrophobicContact CD1-CG 4.24Å; L138-K142 PolarHBondContact O-N 2.82Å
139	E	75.6	Confident	75.1	Confident	118 Å²	118	91.7 Å²	91.7	55%	0.551	45%	0.446	S	S	*	.	H	α-helix	trans	-66.2	-43.3	-178.6	-172.7	164	-142.3	0	0	112.1	K135 R137 H141 K142 L143	K135-E139 WeakPolarHBondContact O-CB 3.22Å; K135-E139 PolarHBondContact O-N 3.01Å; R137-E139 VanDerWaalsContact C-N 3.34Å; E139-H141 VanDerWaalsContact C-N 3.34Å; E139-H141 PolarHBondContact O-N 3.26Å; E139-K142 PolarHBondContact O-N 2.88Å; E139-L143 WeakPolarHBondContact O-CB 3.27Å; E139-L143 PolarHBondContact O-N 3.24Å
140	K	83.1	Confident	74.2	Confident	136 Å²	136	86.1 Å²	86.1	59%	0.591	42%	0.423	S	S	*	.	H	α-helix	trans	-61.4	-41	167.8	-75.8	-174.8	175.8	-176	0	111.9	V136 L143 W144	V136-K140 WeakPolarHBondContact O-CG 3.33Å; V136-K140 PolarHBondContact O-N 2.78Å; K140-L143 PolarHBondContact O-N 3.44Å; K140-W144 WeakPolarHBondContact O-CB 3.14Å; K140-W144 PolarHBondContact O-N 2.6Å
141	H	84.3	Confident	73.1	Confident	28 Å²	28	89.4 Å²	89.4	13%	0.13	45%	0.445	C	S	.	.	H	α-helix	trans	-61.5	-46.1	175.6	161.6	76.4	0	0	0	112.2	C125 C128 F132 R137 L138 E139 L143 W144 N145 H146	C125-H141 PolarHBondContact SG-NE2 3.06Å; C125-H141 VanDerWaalsContact SG-NE2 3.42Å; C128-H141 VanDerWaalsContact SG-CE1 3.56Å; C128-H141 PolarHBondContact SG-NE2 2.86Å; F132-H141 HydrophobicContact CE1-CB 3.88Å; F132-H141 HydrophobicContact CE2-CB 3.88Å; F132-H141 AromaticContact CE2-CD2 3.51Å; F132-H141 AromaticContact CE2-CG 3.66Å; F132-H141 HydrophobicContact CZ-CB 3.37Å; F132-H141 AromaticContact CZ-CD2 3.62Å; F132-H141 AromaticContact CZ-CG 3.26Å; F132-H141 AromaticContact CZ-ND1 3.77Å; R137-H141 WeakPolarHBondContact O-CB 3.32Å; R137-H141 PolarHBondContact O-N 2.68Å; L138-H141 CarbonylContact O-C 3.56Å; L138-H141 WeakPolarHBondContact O-CA 3.38Å; L138-H141 WeakPolarHBondContact O-CB 3.44Å; L138-H141 PolarHBondContact O-N 2.89Å; L138-H141 VanDerWaalsContact O-N 3.14Å; E139-H141 VanDerWaalsContact C-N 3.34Å; E139-H141 PolarHBondContact O-N 3.26Å; H141-L143 PolarHBondContact O-N 3.45Å; H141-W144 PolarHBondContact O-N 3.43Å; H141-N145 PolarHBondContact ND1-ND2 3.38Å; H141-N145 VanDerWaalsContact ND1-ND2 3.17Å; H141-N145 WeakPolarHBondContact O-CB 3.4Å; H141-N145 PolarHBondContact O-N 3.06Å; H141-N145 PolarHBondContact O-ND2 2.92Å; H141-H146 AromaticContact CE1-NE2 3.91Å; H141-H146 AromaticContact NE2-CD2 3.8Å; H141-H146 AromaticContact NE2-NE2 3.48Å; H141-H146 PolarHBondContact NE2-NE2 3.4Å
142	K	81.5	Confident	71.7	Confident	46 Å²	46	92 Å²	92	20%	0.2	45%	0.447	C	S	.	.	H	α-helix	trans	-54.5	-52.9	173.5	-76	-166.8	173.3	-161.3	0	111.4	Y127 L138 E139 W144 H146 V150 E153	Y127-K142 HydrophobicContact CE2-CD 3.83Å; Y127-K142 HydrophobicContact CE2-CG 3.97Å; Y127-K142 WeakPolarHBondContact OH-CE 3.35Å; Y127-K142 PolarHBondContact OH-NZ 3.11Å; L138-K142 HydrophobicContact CD1-CG 4.24Å; L138-K142 PolarHBondContact O-N 2.82Å; E139-K142 PolarHBondContact O-N 2.88Å; K142-W144 VanDerWaalsContact C-N 3.32Å; K142-W144 PolarHBondContact O-N 3.29Å; K142-H146 CarbonylContact O-C 3.4Å; K142-H146 WeakPolarHBondContact O-CA 3.42Å; K142-H146 WeakPolarHBondContact O-CB 3.43Å; K142-H146 PolarHBondContact O-N 3.38Å; K142-V150 HydrophobicContact CB-CG2 4.1Å; K142-E153 IonicContact NZ-OE2 3.69Å
143	L	80.7	Confident	70.1	Confident	104 Å²	104	92.8 Å²	92.8	55%	0.545	45%	0.451	S	S	.	.	H	α-helix	trans	-61.1	-38.3	-177.1	-178.4	64.1	0	0	0	112.9	E139 K140 H141	E139-L143 WeakPolarHBondContact O-CB 3.27Å; E139-L143 PolarHBondContact O-N 3.24Å; K140-L143 PolarHBondContact O-N 3.44Å; H141-L143 PolarHBondContact O-N 3.45Å
144	W	69.1	Low	68.9	Low	202 Å²	202	92.9 Å²	92.9	77%	0.765	45%	0.452	S	S	*	.	H	α-helix	trans	-92.8	-21.2	-174.4	-73.7	72.6	0	0	0	114.7	K140 H141 K142	K140-W144 WeakPolarHBondContact O-CB 3.14Å; K140-W144 PolarHBondContact O-N 2.6Å; H141-W144 PolarHBondContact O-N 3.43Å; K142-W144 VanDerWaalsContact C-N 3.32Å; K142-W144 PolarHBondContact O-N 3.29Å
145	N	71.4	Confident	67.3	Low	102 Å²	102	98.2 Å²	98.2	55%	0.545	47%	0.471	S	S	.	.	H	α-helix	trans	-116.5	-17.4	-176.3	-56.2	-93.5	0	0	0	113.5	H141	H141-N145 PolarHBondContact ND1-ND2 3.38Å; H141-N145 VanDerWaalsContact ND1-ND2 3.17Å; H141-N145 WeakPolarHBondContact O-CB 3.4Å; H141-N145 PolarHBondContact O-N 3.06Å; H141-N145 PolarHBondContact O-ND2 2.92Å
146	H	77.4	Confident	65.5	Low	37 Å²	37	98.6 Å²	98.6	17%	0.171	48%	0.475	C	S	.	.			trans	-127.8	42.1	176.7	-54.9	-68.8	0	0	0	113.3	Y127 C128 H141 K142 E148 R149 V150	Y127-H146 HydrophobicContact CD2-CB 4.24Å; Y127-H146 AromaticContact CD2-CD2 3.73Å; Y127-H146 AromaticContact CD2-CG 3.92Å; C128-H146 PolarHBondContact SG-NE2 3.47Å; H141-H146 AromaticContact CE1-NE2 3.91Å; H141-H146 AromaticContact NE2-CD2 3.8Å; H141-H146 AromaticContact NE2-NE2 3.48Å; H141-H146 PolarHBondContact NE2-NE2 3.4Å; K142-H146 CarbonylContact O-C 3.4Å; K142-H146 WeakPolarHBondContact O-CA 3.42Å; K142-H146 WeakPolarHBondContact O-CB 3.43Å; K142-H146 PolarHBondContact O-N 3.38Å; H146-E148 VanDerWaalsContact C-N 3.34Å; H146-E148 PolarHBondContact O-N 3.34Å; H146-R149 PolarHBondContact O-N 3.15Å; H146-V150 PolarHBondContact O-N 3.17Å
147	P	58.8	Low	63.5	Low	74 Å²	74	101.1 Å²	101.1	48%	0.481	48%	0.48	S	S	.	.	H	α-helix	trans	-58.6	-38.9	-170.3	24.2	-34.9	0	0	0	113.8	R149	P147-R149 PolarHBondContact O-N 3.45Å
148	E	56.4	Low	61.9	Low	137 Å²	137	102 Å²	102	64%	0.64	49%	0.491	S	S	*	.	H	α-helix	trans	-63.7	-20.6	176.8	-69.5	-159	148.4	0	0	114.7	H146 K152	H146-E148 VanDerWaalsContact C-N 3.34Å; H146-E148 PolarHBondContact O-N 3.34Å; E148-K152 WeakPolarHBondContact O-CD 3.35Å; E148-K152 WeakPolarHBondContact O-CE 3.49Å; E148-K152 WeakPolarHBondContact O-CG 3.32Å
149	R	60.1	Low	59.9	Low	142 Å²	142	108.1 Å²	108.1	54%	0.536	52%	0.524	S	S	.	.	H	α-helix	trans	-99	-33.2	-174.7	-60.8	-59.3	-179.6	147.8	-1.6	112.1	H146 P147 S151 K152 E153	H146-R149 PolarHBondContact O-N 3.15Å; P147-R149 PolarHBondContact O-N 3.45Å; R149-S151 PolarHBondContact O-N 3.43Å; R149-K152 PolarHBondContact O-N 3.05Å; R149-E153 PolarHBondContact O-N 2.86Å; R149-E153 VanDerWaalsContact O-N 3.13Å
150	V	55.8	Low	58.5	Low	48 Å²	48	109.4 Å²	109.4	29%	0.291	53%	0.533	S	S	.	.	H	α-helix	trans	-56.6	-39.9	168.9	178.5	0	0	0	0	110.9	K142 H146 K152 A154	K142-V150 HydrophobicContact CB-CG2 4.1Å; H146-V150 PolarHBondContact O-N 3.17Å; V150-K152 PolarHBondContact O-N 3.43Å; V150-A154 PolarHBondContact O-N 3.01Å
151	S	51.4	Low	56.1	Low	84 Å²	84	112.3 Å²	112.3	59%	0.587	55%	0.546	S	S	*	.	H	α-helix	trans	-69.4	-11.7	174.3	-66	0	0	0	0	115.4	R149	R149-S151 PolarHBondContact O-N 3.43Å
152	K	53.3	Low	53.9	Low	103 Å²	103	118.5 Å²	118.5	45%	0.448	58%	0.578	S	S	.	*	H	α-helix	trans	-95.5	-44.1	178.6	-67.8	176.7	-170.1	177.9	0	111.1	E148 R149 V150 A154 K155 E156	E148-K152 WeakPolarHBondContact O-CD 3.35Å; E148-K152 WeakPolarHBondContact O-CE 3.49Å; E148-K152 WeakPolarHBondContact O-CG 3.32Å; R149-K152 PolarHBondContact O-N 3.05Å; V150-K152 PolarHBondContact O-N 3.43Å; K152-A154 PolarHBondContact O-N 3.44Å; K152-K155 PolarHBondContact O-N 2.91Å; K152-E156 PolarHBondContact O-N 3.03Å
153	E	45.9	Very low	51.5	Low	60 Å²	60	122 Å²	122	28%	0.28	61%	0.606	S	S	.	*	H	α-helix	trans	-58	-35.8	172.3	-63.9	-169.7	142.4	0	0	112.1	Y127 K142 R149 K155 E156 Q157	Y127-E153 PolarHBondContact OH-OE1 3.37Å; Y127-E153 PolarHBondContact OH-OE2 2.88Å; K142-E153 IonicContact NZ-OE2 3.69Å; R149-E153 PolarHBondContact O-N 2.86Å; R149-E153 VanDerWaalsContact O-N 3.13Å; E153-K155 PolarHBondContact O-N 3.16Å; E153-E156 PolarHBondContact O-N 3.24Å; E153-Q157 WeakPolarHBondContact O-CG 3.34Å; E153-Q157 PolarHBondContact O-N 2.9Å
154	A	49	Very low	49.1	Very low	64 Å²	64	123.6 Å²	123.6	53%	0.529	62%	0.619	S	S	.	*	H	α-helix	trans	-64.2	-20.3	175.6	0	0	0	0	0	114.2	V150 K152	V150-A154 PolarHBondContact O-N 3.01Å; K152-A154 PolarHBondContact O-N 3.44Å
155	K	41.9	Very low	47.6	Very low	166 Å²	166	123.8 Å²	123.8	72%	0.722	63%	0.626	S	S	*	*	H	α-helix	trans	-90.9	-41.8	174	-77	-165.3	170.3	-168.8	0	112.6	K152 E153 Q157 Q158	K152-K155 PolarHBondContact O-N 2.91Å; E153-K155 PolarHBondContact O-N 3.16Å; K155-Q157 VanDerWaalsContact C-N 3.3Å; K155-Q157 PolarHBondContact O-N 3.35Å; K155-Q158 PolarHBondContact O-N 3.42Å
156	E	39.1	Very low	45.5	Very low	148 Å²	148	124.9 Å²	124.9	69%	0.692	64%	0.641	S	S	*	*	H	α-helix	trans	-64.2	-34.7	179.7	-71.7	178	115.9	0	0	112.4	K152 E153 Q158 L159	K152-E156 PolarHBondContact O-N 3.03Å; E153-E156 PolarHBondContact O-N 3.24Å; E156-Q158 PolarHBondContact O-N 2.88Å; E156-Q158 VanDerWaalsContact O-N 3.15Å; E156-L159 PolarHBondContact O-N 3.42Å
157	Q	39.3	Very low	43.2	Very low	145 Å²	145	130.4 Å²	130.4	68%	0.678	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-8.3	-178	-70.3	-179.8	31.1	0	0	115	E153 K155	E153-Q157 WeakPolarHBondContact O-CG 3.34Å; E153-Q157 PolarHBondContact O-N 2.9Å; K155-Q157 VanDerWaalsContact C-N 3.3Å; K155-Q157 PolarHBondContact O-N 3.35Å
158	Q	41.8	Very low	41.8	Very low	177 Å²	177	135 Å²	135	83%	0.827	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-14.6	175.3	-74.4	-168.5	-38.9	0	0	114.6	K155 E156	K155-Q158 PolarHBondContact O-N 3.42Å; E156-Q158 PolarHBondContact O-N 2.88Å; E156-Q158 VanDerWaalsContact O-N 3.15Å
159	L	42.6	Very low	41	Very low	150 Å²	150	137.4 Å²	137.4	79%	0.785	70%	0.699	S	S	*	*	S	Bend	trans	-104.1	-8.1	-168	-131.6	154.9	0	0	0	114.7	E156	E156-L159 PolarHBondContact O-N 3.42Å
160	L	46.3	Very low	40	Very low	145 Å²	145	139.4 Å²	139.4	76%	0.759	71%	0.712	S	S	*	*			trans	-138.5	93.9	-177.7	-70.7	175.4	0	0	0	113.5
161	K	32.9	Very low	39.1	Very low	196 Å²	196	147.8 Å²	147.8	85%	0.852	74%	0.738	S	S	*	*			trans	-170.4	98.8	150.4	-100.6	138.6	-165.9	165.7	0	112.5
162	I	37	Very low	38.8	Very low	158 Å²	158	149.1 Å²	149.1	81%	0.81	75%	0.745	S	S	*	*			trans	-93.6	128.2	155.2	-61.3	173.6	0	0	0	107
163	P	32.1	Very low	37.6	Very low	121 Å²	121	152.2 Å²	152.2	79%	0.786	76%	0.763	S	S	*	*			trans	-94.4	111.1	-179.6	33.5	-30.3	0	0	0	112.2
164	V	29.3	Very low	36.7	Very low	136 Å²	136	156.3 Å²	156.3	82%	0.824	78%	0.782	S	S	*	*			trans	-108	127.3	163	178.9	0	0	0	0	108.7
165	K	38.3	Very low	35.6	Very low	207 Å²	207	160.4 Å²	160.4	90%	0.9	80%	0.795	S	S	*	*			trans	-99.3	136.5	172.9	-68.7	177.7	178.4	175.7	0	109.6
166	S	27.3	Very low	35.1	Very low	124 Å²	124	157.8 Å²	157.8	87%	0.867	80%	0.798	S	S	*	*			trans	-135	161.9	157.7	62.8	0	0	0	0	109.2
167	N	29	Very low	36	Very low	154 Å²	154	156.1 Å²	156.1	82%	0.824	80%	0.8	S	S	*	*			trans	-136.7	148.7	-156.6	-153.2	-5.6	0	0	0	111.3
168	I	30.1	Very low	36.4	Very low	171 Å²	171	155.3 Å²	155.3	88%	0.877	81%	0.807	S	S	*	*			trans	-115	148.1	172	-70.7	-179.5	0	0	0	108.9
169	K	37.9	Very low	35.6	Very low	186 Å²	186	152 Å²	152	81%	0.809	80%	0.803	S	S	*	*			trans	-133.6	161.9	-138.3	-171.6	175.9	-176.8	177.2	0	112.6
170	K	40.6	Very low	35.8	Very low	184 Å²	184	150.2 Å²	150.2	80%	0.8	80%	0.801	S	S	*	*			trans	117.2	143	161.9	-66.4	167	-173.8	-177.4	0	112.3
171	R	35.7	Very low	35	Very low	225 Å²	225	148.2 Å²	148.2	85%	0.849	80%	0.795	S	S	*	*			cis	-142.3	-167.6	9.6	-132.3	-173	-64.1	-174.8	1.8	111.2
172	P	45.5	Very low	34.9	Very low	111 Å²	111	146.9 Å²	146.9	72%	0.721	79%	0.789	S	S	*	*				-131.6	-156	-124.2	46.4	-26.6	0	0	0	115.8
173	M	27.5	Very low	34.5	Very low	168 Å²	168	147.5 Å²	147.5	83%	0.828	79%	0.786	S	S	*	*			trans	90.9	137.8	165.6	-166.5	178.1	-93.5	0	0	115.9
174	E	27.7	Very low	34.4	Very low	147 Å²	147	150.3 Å²	150.3	69%	0.687	79%	0.786	S	S	*	*			cis	-171.9	133.9	-27.4	174.4	-178	131.5	0	0	109.2
175	N	25.9	Very low	34.6	Very low	149 Å²	149	149.7 Å²	149.7	80%	0.797	78%	0.782	S	S	*	*			trans	173.2	171.4	133.5	-104.3	-80.7	0	0	0	114.5
176	S	30.8	Very low	34.5	Very low	112 Å²	112	149.1 Å²	149.1	78%	0.783	78%	0.78	S	S	*	*			trans	-103.9	168.7	-166.4	-79.6	0	0	0	0	115.1
177	P	58.6	Low	34.6	Very low	113 Å²	113	152.5 Å²	152.5	73%	0.734	78%	0.779	S	S	*	*			trans	-97.5	-169.9	-169.7	41.7	-37.7	0	0	0	113.6
178	P	46.8	Very low	34.8	Very low	127 Å²	127	151.1 Å²	151.1	83%	0.825	78%	0.776	S	S	*	*				-143.9	176.3	89.4	36.8	-19	0	0	0	116.9
179	S	25.7	Very low	34.7	Very low	108 Å²	108	153.1 Å²	153.1	76%	0.755	77%	0.774	S	S	*	*			trans	-69.7	-168.9	175.3	-37.6	0	0	0	0	112.8
180	P	46.4	Very low	34.3	Very low	113 Å²	113	151.3 Å²	151.3	73%	0.734	77%	0.768	S	S	*	*			cis	-146.1	-157.2	17.5	38.6	-11.7	0	0	0	114.6
181	V	30.7	Very low	33.8	Very low	103 Å²	103	147.6 Å²	147.6	62%	0.624	76%	0.761	S	S	*	*			cis	-157.6	163.2	-8.6	-132	0	0	0	0	112.6
182	F	29.7	Very low	33.5	Very low	168 Å²	168	142.1 Å²	142.1	74%	0.737	76%	0.757	S	S	*	*			trans	84.4	153.3	135.3	-75.8	-38.5	0	0	0	127.7
183	F	29.4	Very low	32.8	Very low	170 Å²	170	140.8 Å²	140.8	75%	0.746	76%	0.756	S	S	*	*			trans	51.2	129.3	169.6	-58.4	-71.9	0	0	0	120.5
184	K	29.6	Very low	33.9	Very low	180 Å²	180	138.8 Å²	138.8	78%	0.783	76%	0.755	S	S	*	*			cis	104.3	122.1	11.6	-176	-176.6	-177.5	175.7	0	114.7
185	V	32.8	Very low	34	Very low	123 Å²	123	136.6 Å²	136.6	75%	0.745	76%	0.756	S	S	*	*			trans	168.2	130.8	138.3	149.3	0	0	0	0	113.1
186	K	37.3	Very low	34.3	Very low	195 Å²	195	137.4 Å²	137.4	85%	0.848	76%	0.755	S	S	*	*			trans	32	159.6	146.4	-54.2	179.3	179.5	177.3	0	121
187	K	29.4	Very low	34.3	Very low	196 Å²	196	139.3 Å²	139.3	85%	0.852	76%	0.756	S	S	*	*			cis	-152.5	164.3	28.1	-164.6	174.7	175.1	-174.1	0	113.8
188	T	32.7	Very low	33.1	Very low	125 Å²	125	137.4 Å²	137.4	77%	0.767	76%	0.758	S	S	*	*			trans	-83.4	154.6	-168	49	0	0	0	0	118.2
189	Y	27.9	Very low	32.3	Very low	212 Å²	212	139.6 Å²	139.6	83%	0.831	76%	0.757	S	S	*	*			trans	172.7	111	137.1	-176.9	-117.5	0	0	0	107.5
190	E	29.4	Very low	32.5	Very low	148 Å²	148	141.2 Å²	141.2	69%	0.692	76%	0.756	S	S	*	*				55.6	136.2	78	-75.4	-80.5	95.2	0	0	112.9
191	V	31.1	Very low	31.6	Very low	107 Å²	107	140.9 Å²	140.9	65%	0.648	75%	0.752	S	S	*	*			cis	-162.1	169	-5.1	75.1	0	0	0	0	105.7
192	S	28.2	Very low	31.6	Very low	110 Å²	110	143.7 Å²	143.7	77%	0.769	76%	0.758	S	S	*	*			cis	-155.2	-158.6	15.5	-163.5	0	0	0	0	111.3
193	A	31.2	Very low	31.5	Very low	83 Å²	83	141.3 Å²	141.3	69%	0.686	75%	0.752	S	S	*	*			trans	-144.2	-151.8	173.5	0	0	0	0	0	109.9
194	P	51	Low	31.4	Very low	125 Å²	125	141.7 Å²	141.7	81%	0.812	75%	0.754	S	S	*	*			cis	-130.2	-146.5	-34.6	40	-21.5	0	0	0	111.8
195	S	29.3	Very low	31.4	Very low	101 Å²	101	137.7 Å²	137.7	71%	0.706	75%	0.749	S	S	*	*			trans	100.1	139.4	160.9	-145	0	0	0	0	117.5
196	Q	32.6	Very low	31.3	Very low	167 Å²	167	138.6 Å²	138.6	78%	0.78	75%	0.745	S	S	*	*			cis	-156.5	165.8	-16.9	-121.4	177.9	1.2	0	0	112.6
197	N	30.1	Very low	31	Very low	151 Å²	151	138.9 Å²	138.9	81%	0.807	74%	0.74	S	S	*	*			trans	-25.6	134	166.9	-42.1	-19.5	0	0	0	116.5
198	G	33.9	Very low	31.2	Very low	74 Å²	74	138 Å²	138	76%	0.763	74%	0.737	S	S	*	*				123.2	170.4	81	0	0	0	0	0	109.5
199	E	30.9	Very low	31	Very low	173 Å²	173	139 Å²	139	81%	0.808	74%	0.742	S	S	*	*			cis	-153.5	-153.8	-18.4	-131.8	-176.3	112.5	0	0	107.6
200	L	28.6	Very low	31	Very low	141 Å²	141	136.6 Å²	136.6	74%	0.738	74%	0.738	S	S	*	*			cis	-143.7	-135.2	12.4	-169.7	53.5	0	0	0	109.9
201	T	28.4	Very low	30.9	Very low	106 Å²	106	133.8 Å²	133.8	65%	0.65	74%	0.735	S	S	*	*			trans	-150.2	-178.3	-163	68.1	0	0	0	0	116.9
202	H	29.6	Very low	30.7	Very low	162 Å²	162	137.5 Å²	137.5	75%	0.75	75%	0.745	S	S	*	*			trans	79.9	151.1	161.6	-88.9	-138.1	0	0	0	120.2
203	L	28.5	Very low	30.8	Very low	118 Å²	118	139.6 Å²	139.6	62%	0.618	75%	0.746	S	S	*	*			cis	-171.3	163.8	-33.2	-149.8	73.5	0	0	0	111
204	K	27.9	Very low	31.3	Very low	178 Å²	178	141.9 Å²	141.9	77%	0.774	75%	0.754	S	S	*	*			trans	67.2	124.4	159.1	-81.2	177.4	-179.9	179	0	117.7
205	S	29.6	Very low	30.2	Very low	97 Å²	97	140.7 Å²	140.7	68%	0.678	76%	0.755	S	S	*	*				75.1	141.7	73.6	80.8	0	0	0	0	114.1
206	E	29	Very low	30.2	Very low	141 Å²	141	141.7 Å²	141.7	66%	0.659	76%	0.762	S	S	*	*			cis	-165.7	169.8	17.8	-142.5	-166.1	132.8	0	0	115.1
207	R	31.5	Very low	30.3	Very low	201 Å²	201	141.6 Å²	141.6	76%	0.758	76%	0.761	S	S	*	*			trans	61.3	85	141.4	-154.9	175.8	-66.2	-161	4	124.7
208	K	34	Very low	30.3	Very low	179 Å²	179	142.1 Å²	142.1	78%	0.778	76%	0.759	S	S	*	*				19.4	127.7	125.4	-177.2	-176.3	-177.2	179	0	122.4
209	V	27.7	Very low	30.1	Very low	144 Å²	144	144.3 Å²	144.3	87%	0.873	75%	0.752	S	S	*	*			trans	-142.1	176.8	148.5	175	0	0	0	0	110.6
210	H	29.3	Very low	29.9	Very low	162 Å²	162	143.8 Å²	143.8	75%	0.75	75%	0.749	S	S	*	*			trans	-97.3	164.3	-159.6	-89.8	91.5	0	0	0	119
211	S	26.1	Very low	30.5	Very low	90 Å²	90	143 Å²	143	63%	0.629	75%	0.752	S	S	*	*			trans	-38.1	153.1	169.9	53	0	0	0	0	121.3
212	H	27.5	Very low	30.6	Very low	185 Å²	185	142.6 Å²	142.6	86%	0.856	75%	0.753	S	S	*	*				-162.8	176.2	116.8	-117.8	-93.6	0	0	0	113.5
213	I	30.5	Very low	30.6	Very low	154 Å²	154	140.1 Å²	140.1	79%	0.79	75%	0.754	S	S	*	*			trans	-122.2	135.4	-172	-70	167.6	0	0	0	108.5
214	P	40.6	Very low	30.7	Very low	131 Å²	131	141.5 Å²	141.5	85%	0.851	76%	0.758	S	S	*	*				-153.9	-165	93.7	41	-19.3	0	0	0	116.1
215	A	28.8	Very low	30.6	Very low	100 Å²	100	135.2 Å²	135.2	83%	0.826	73%	0.734	S	S	*	*			trans	-130.8	159.5	-171.4	0	0	0	0	0	114.3
216	S	29.2	Very low	30.6	Very low	122 Å²	122	135.9 Å²	135.9	85%	0.853	73%	0.734	S	S	*	*			trans	-162.6	-165.3	156.3	-156.7	0	0	0	0	112.9
217	Q	33.8	Very low	30.6	Very low	164 Å²	164	135.3 Å²	135.3	77%	0.766	73%	0.731	S	S	*	*			trans	-120.6	-170.1	-155.7	-53.1	171.4	15.1	0	0	115.2
218	Q	30.9	Very low	31.1	Very low	163 Å²	163	131 Å²	131	76%	0.762	73%	0.729	S	S	*	*			trans	88	152.2	156.6	-66.3	-161.7	16.5	0	0	120
219	I	29.1	Very low	30.9	Very low	120 Å²	120	130 Å²	130	62%	0.615	73%	0.727	S	S	*	*			cis	-169.7	155.8	-28.4	-130.8	170	0	0	0	113.6
220	H	27.9	Very low	30.8	Very low	161 Å²	161	128.7 Å²	128.7	75%	0.745	73%	0.725	S	S	*	*			trans	61.9	172.9	157.9	-70.7	-14.1	0	0	0	122
221	P	41.4	Very low	30.9	Very low	125 Å²	125	129.4 Å²	129.4	81%	0.812	73%	0.728	S	S	*	*			cis	-123.9	-145.3	5.4	40.5	-21.3	0	0	0	117.8
222	S	30.4	Very low	30.8	Very low	97 Å²	97	131 Å²	131	68%	0.678	74%	0.74	S	S	*	*			trans	-164.3	170.8	-162	-59	0	0	0	0	116.9
223	S	29.6	Very low	30.9	Very low	110 Å²	110	130.4 Å²	130.4	77%	0.769	74%	0.737	S	S	*	*			trans	-163.1	140.5	163.3	47.9	0	0	0	0	118.8
224	H	30.4	Very low	30.7	Very low	148 Å²	148	127.8 Å²	127.8	69%	0.685	73%	0.733	S	S	*	*			trans	29.5	129.3	154.8	-61.9	-72	0	0	0	124.7	N825	H224-N825 PolarHBondContact O-ND2 3.32Å
225	T	25.5	Very low	30	Very low	46 Å²	46	128.5 Å²	128.5	28%	0.282	74%	0.735	S	S	.	*				70.1	148.8	58.5	70.3	0	0	0	0	115.9	N825	T225-N825 PolarHBondContact N-ND2 2.91Å; T225-N825 PolarHBondContact O-ND2 2.86Å
226	V	29.7	Very low	30	Very low	110 Å²	110	128.5 Å²	128.5	67%	0.667	73%	0.729	S	S	*	*			cis	-145.7	171.9	34.4	178.3	0	0	0	0	111.4
227	Q	28.7	Very low	29.9	Very low	130 Å²	130	127.8 Å²	127.8	61%	0.607	72%	0.723	S	S	*	*			trans	-147.7	161	-178.9	-154.1	-157.1	-68.4	0	0	111.7
228	P	41.9	Very low	29.5	Very low	109 Å²	109	127.7 Å²	127.7	71%	0.708	73%	0.728	S	S	*	*			trans	-128.5	-165	153.3	37.6	-23.2	0	0	0	113.5
229	Q	30.1	Very low	29.4	Very low	158 Å²	158	124.4 Å²	124.4	74%	0.738	73%	0.729	S	S	*	*			trans	-149.2	151.9	-172.7	-42.6	75.2	-129.7	0	0	115.2
230	S	26.4	Very low	29.3	Very low	118 Å²	118	122.5 Å²	122.5	83%	0.825	74%	0.739	S	S	*	*			trans	-137	109.7	145.1	53.7	0	0	0	0	108.1
231	Q	29.9	Very low	29.1	Very low	177 Å²	177	118.3 Å²	118.3	83%	0.827	74%	0.739	S	S	*	*				76	99.7	71.1	-82.3	-159.7	-8.5	0	0	116.4
232	S	23.9	Very low	28.7	Very low	124 Å²	124	118.5 Å²	118.5	87%	0.867	74%	0.744	S	S	*	*			trans	-155	163.4	132.5	55.9	0	0	0	0	108.4
233	Q	29.3	Very low	29	Very low	171 Å²	171	122.7 Å²	122.7	80%	0.799	75%	0.752	S	S	*	*			trans	-133.4	138.9	-168	-69.4	-175.8	-5.8	0	0	113.6
234	S	26.3	Very low	29.2	Very low	100 Å²	100	121.7 Å²	121.7	70%	0.699	75%	0.746	S	S	*	*				41.8	159.1	129.4	-50.6	0	0	0	0	124
235	T	26.7	Very low	29.3	Very low	146 Å²	146	123.4 Å²	123.4	90%	0.896	75%	0.754	S	S	*	*			trans	90	-178.6	159.2	76.8	0	0	0	0	118.1
236	S	28.2	Very low	29.5	Very low	100 Å²	100	124.2 Å²	124.2	70%	0.699	77%	0.772	S	S	*	*			trans	-157.8	176.7	-145.5	61.1	0	0	0	0	112.8
237	S	27.6	Very low	29.3	Very low	106 Å²	106	122.3 Å²	122.3	74%	0.741	77%	0.774	S	S	*	*			trans	93.3	118.9	157.2	-15.4	0	0	0	0	118.7
238	D	25.2	Very low	29.4	Very low	162 Å²	162	122 Å²	122	87%	0.866	79%	0.786	S	S	*	*			trans	72.1	149.8	139.3	-111.2	-54.5	0	0	0	125.8
239	A	29	Very low	28.8	Very low	94 Å²	94	124.9 Å²	124.9	78%	0.777	80%	0.795	S	S	*	*			trans	25.4	146.6	163.1	0	0	0	0	0	124.3
240	G	26.6	Very low	29.5	Very low	80 Å²	80	123.1 Å²	123.1	83%	0.825	80%	0.797	S	S	*	*			trans	-173.2	-6.5	167.9	0	0	0	0	0	125.5
241	G	25.1	Very low	29.4	Very low	73 Å²	73	123 Å²	123	75%	0.753	80%	0.796	S	S	*	*			trans	63.4	-168.8	172.1	0	0	0	0	0	117.9
242	S	32.7	Very low	29.3	Very low	130 Å²	130	119.8 Å²	119.8	91%	0.909	79%	0.793	S	S	*	*			cis	-170	107.2	-31.7	-97.2	0	0	0	0	113.1
243	E	36	Very low	29.5	Very low	184 Å²	184	124.2 Å²	124.2	86%	0.86	79%	0.792	S	S	*	*			trans	-167.7	172.3	160.6	75.1	162.9	115.5	0	0	108
244	S	34	Very low	30.1	Very low	90 Å²	90	121 Å²	121	63%	0.629	79%	0.787	S	S	*	*			cis	-165.5	156.7	-15.9	40.4	0	0	0	0	106.5
245	E	33.2	Very low	30.1	Very low	184 Å²	184	123 Å²	123	86%	0.86	79%	0.79	S	S	*	*			cis	-150.9	156.6	-23.7	-137	-57.9	83.3	0	0	108.2
246	G	28.7	Very low	30.2	Very low	63 Å²	63	124.7 Å²	124.7	65%	0.649	79%	0.787	S	S	*	*			trans	83.4	130.3	171.4	0	0	0	0	0	115.4
247	G	27	Very low	30.6	Very low	70 Å²	70	125.8 Å²	125.8	72%	0.722	79%	0.785	S	S	*	*			cis	164.5	141.5	-7.1	0	0	0	0	0	112
248	S	29.4	Very low	31.4	Very low	123 Å²	123	127.1 Å²	127.1	86%	0.86	79%	0.791	S	S	*	*			trans	102.9	109	173.1	-43.7	0	0	0	0	118.2
249	L	28.6	Very low	32	Very low	170 Å²	170	125.4 Å²	125.4	89%	0.89	78%	0.778	S	S	*	*			trans	-125.3	-170.8	150.2	-63.6	177.2	0	0	0	105.5
250	P	46.4	Very low	32	Very low	120 Å²	120	129.8 Å²	129.8	78%	0.779	78%	0.775	S	S	*	*			cis	-139.2	-155.8	-0.8	44.3	-24.9	0	0	0	114.2
251	S	23.5	Very low	32.1	Very low	117 Å²	117	131.6 Å²	131.6	82%	0.818	76%	0.763	S	S	*	*			trans	103.8	129.5	162.3	-152	0	0	0	0	115.2
252	S	29	Very low	32.6	Very low	109 Å²	109	138.1 Å²	138.1	76%	0.762	77%	0.765	S	S	*	*			cis	-144	159.8	4.2	-166.4	0	0	0	0	112.6
253	Y	27	Very low	33.1	Very low	216 Å²	216	140.8 Å²	140.8	85%	0.847	76%	0.763	S	S	*	*			trans	-82.5	171.2	162.4	-103.9	-110.9	0	0	0	110.6
254	P	42	Very low	32.9	Very low	104 Å²	104	142 Å²	142	68%	0.675	76%	0.759	S	S	*	*			cis	-131	-172.5	5.9	34.8	-13.7	0	0	0	115.8
255	D	26.5	Very low	33.7	Very low	143 Å²	143	149.6 Å²	149.6	77%	0.765	77%	0.774	S	S	*	*				122.7	146.8	123.6	-133.1	3.6	0	0	0	121.3
256	E	29.6	Very low	34.1	Very low	181 Å²	181	148.2 Å²	148.2	85%	0.846	77%	0.765	S	S	*	*			trans	63.3	152.7	163	-61.1	-124.9	101.9	0	0	124.5
257	D	36.3	Very low	34.6	Very low	123 Å²	123	153.2 Å²	153.2	66%	0.658	77%	0.772	S	S	*	*			trans	-94.5	150.9	-164.2	169.7	37.2	0	0	0	114.6	E259	D257-E259 PolarHBondContact OD1-N 3.24Å
258	P	43.7	Very low	34.7	Very low	133 Å²	133	159.3 Å²	159.3	86%	0.864	78%	0.778	S	S	*	*			trans	-119.8	25.2	166.7	40.8	-30.3	0	0	0	116.7
259	E	37.6	Very low	35	Very low	126 Å²	126	159.8 Å²	159.8	59%	0.589	78%	0.776	S	S	*	*			trans	-77.4	140.8	158.6	-115.9	-101.3	128.3	0	0	110.6	D257	D257-E259 PolarHBondContact OD1-N 3.24Å
260	R	29	Very low	36.1	Very low	187 Å²	187	157 Å²	157	71%	0.706	77%	0.768	S	S	*	*			trans	71	109.9	156.8	-140.1	-174	-70.3	-148.6	-10.7	118.3
261	M	29	Very low	35.9	Very low	118 Å²	118	160.9 Å²	160.9	58%	0.581	77%	0.773	S	S	*	*				138.5	133.5	100.1	-151.2	39.3	97	0	0	119.2
262	R	34.7	Very low	36.6	Very low	209 Å²	209	163.9 Å²	163.9	79%	0.789	77%	0.771	S	S	*	*			trans	67.4	138.7	149.2	-86.3	168	-125.6	-61.9	3.6	123.3
263	H	43.4	Very low	36.6	Very low	187 Å²	187	167.7 Å²	167.7	87%	0.866	77%	0.774	S	S	*	*			trans	-62.7	144.9	162	-61.6	170.3	0	0	0	113.9
264	R	33.3	Very low	37	Very low	210 Å²	210	162.7 Å²	162.7	79%	0.792	77%	0.767	S	S	*	*				179.6	147.8	111.8	-103.2	-178.3	-175.5	-111.6	10.1	112.9
265	R	49.4	Very low	36.6	Very low	249 Å²	249	161.3 Å²	161.3	94%	0.94	77%	0.771	S	S	*	*			trans	-124.5	146.8	142.1	-152.6	169.7	-169	170.4	5.2	109.2
266	K	41.5	Very low	37	Very low	154 Å²	154	163.5 Å²	163.5	67%	0.67	78%	0.777	S	S	*	*			trans	-110.6	178.9	177.6	-50.4	174.6	-176.5	171.4	0	108
267	Q	38.8	Very low	37.6	Very low	169 Å²	169	162.9 Å²	162.9	79%	0.79	77%	0.774	S	S	*	*			cis	-151.5	159.6	11.3	-53	174.8	2.5	0	0	110.5
268	K	31	Very low	38.6	Very low	198 Å²	198	161.6 Å²	161.6	86%	0.861	77%	0.772	S	S	*	*				-171.6	151.5	110.1	-103.4	176.2	178.7	179.2	0	111
269	T	33.7	Very low	38.2	Very low	132 Å²	132	160.2 Å²	160.2	81%	0.81	77%	0.766	S	S	*	*			trans	-142.2	168.4	171.6	60.8	0	0	0	0	107.5
270	P	52.5	Low	38.1	Very low	112 Å²	112	161.9 Å²	161.9	73%	0.727	78%	0.777	S	S	*	*				-158.6	146.4	89.4	39.1	-18.7	0	0	0	118.8
271	K	42.4	Very low	38.3	Very low	201 Å²	201	158.7 Å²	158.7	87%	0.874	78%	0.783	S	S	*	*			trans	65.2	156.6	146.6	-105.4	168.5	-179.6	174.1	0	118.3
272	K	37.6	Very low	38.6	Very low	181 Å²	181	155.9 Å²	155.9	79%	0.787	79%	0.785	S	S	*	*			cis	-144.1	160.2	13.5	-54.2	174	-177.8	179.2	0	112.4
273	F	29.5	Very low	38.8	Very low	188 Å²	188	152.3 Å²	152.3	83%	0.825	79%	0.786	S	S	*	*			trans	61.1	146.6	142.3	-93.3	-136.3	0	0	0	120.7
274	T	35.9	Very low	38.4	Very low	112 Å²	112	153.9 Å²	153.9	69%	0.687	79%	0.791	S	S	*	*			cis	-168.3	150.4	-14.4	9.7	0	0	0	0	110.9
275	G	33.1	Very low	38.7	Very low	75 Å²	75	147 Å²	147	77%	0.773	79%	0.785	S	S	*	*			trans	69.3	161.3	161.2	0	0	0	0	0	117.2
276	E	34.9	Very low	38.8	Very low	189 Å²	189	144 Å²	144	88%	0.883	79%	0.786	S	S	*	*			cis	-153.2	-174.9	-20.9	-152	171.2	151.9	0	0	108.7
277	Q	41.9	Very low	38.7	Very low	168 Å²	168	146.9 Å²	146.9	79%	0.785	80%	0.799	S	S	*	*			trans	-132.8	174.3	-175.2	-75.4	-79.8	-70.4	0	0	109.3
278	P	57.9	Low	38.8	Very low	95 Å²	95	142.1 Å²	142.1	62%	0.617	80%	0.795	S	S	*	*			cis	-137.3	-170.3	-44	38.4	-21.2	0	0	0	113.3
279	S	35.3	Very low	39.1	Very low	104 Å²	104	140.8 Å²	140.8	73%	0.727	79%	0.794	S	S	*	*			trans	82	168	147.1	-63.5	0	0	0	0	122
280	I	34.6	Very low	39.4	Very low	162 Å²	162	140.2 Å²	140.2	83%	0.831	79%	0.791	S	S	*	*			trans	78.4	122.3	165	75.9	161.6	0	0	0	122.8
281	S	34.7	Very low	38.9	Very low	120 Å²	120	142.5 Å²	142.5	84%	0.839	79%	0.789	S	S	*	*				22.1	136.9	126.4	-155.3	0	0	0	0	122.2
282	G	33.8	Very low	38.5	Very low	59 Å²	59	139.3 Å²	139.3	61%	0.608	79%	0.786	S	S	*	*			trans	147.7	108.2	167.7	0	0	0	0	0	109.2
283	T	40	Very low	38.4	Very low	134 Å²	134	136.8 Å²	136.8	82%	0.822	78%	0.777	S	S	*	*				64.7	154.5	62	75.9	0	0	0	0	114.7
284	F	34.8	Very low	38.4	Very low	220 Å²	220	134.5 Å²	134.5	97%	0.965	77%	0.769	S	S	*	*			trans	71.5	132.1	179.3	-119.6	-108.1	0	0	0	116.7
285	G	39.9	Very low	38.5	Very low	64 Å²	64	136.4 Å²	136.4	66%	0.66	77%	0.768	S	S	*	*			cis	-173.6	138.5	-9.8	0	0	0	0	0	113.2
286	L	49.9	Very low	38.7	Very low	186 Å²	186	140 Å²	140	97%	0.974	77%	0.768	S	S	*	*			trans	-99.8	119.8	169.6	-76.9	169.4	0	0	0	109.8
287	K	41.2	Very low	38.7	Very low	216 Å²	216	140.5 Å²	140.5	94%	0.939	77%	0.768	S	S	*	*			trans	-165.3	130.8	173.4	-171.6	179.5	-177	-177.3	0	109.2
288	G	40.5	Very low	38.5	Very low	69 Å²	69	137.5 Å²	137.5	71%	0.711	77%	0.772	S	S	*	*			cis	-143.3	-152.2	-19.8	0	0	0	0	0	106.8
289	M	36	Very low	37.2	Very low	170 Å²	170	136.3 Å²	136.3	84%	0.837	78%	0.777	S	S	*	*			cis	-146.5	-176.2	-3.5	-63.2	174.2	51.6	0	0	105.5
290	T	40.7	Very low	37.1	Very low	120 Å²	120	143.2 Å²	143.2	74%	0.736	79%	0.787	S	S	*	*			cis	-150	177.9	9.8	-36.9	0	0	0	0	108.1
291	K	41.9	Very low	37.2	Very low	160 Å²	160	141 Å²	141	70%	0.696	78%	0.781	S	S	*	*			trans	-135	141.2	170.2	176.8	-172.4	170.9	-160.4	0	109.4	E293	K291-E293 IonicContact NZ-OE2 2.72Å
292	V	34.7	Very low	37.2	Very low	133 Å²	133	144.7 Å²	144.7	81%	0.806	78%	0.782	S	S	*	*			trans	-140.2	130.4	162.4	169.2	0	0	0	0	108
293	E	35.1	Very low	37.3	Very low	128 Å²	128	152.6 Å²	152.6	60%	0.598	79%	0.793	S	S	*	*			trans	-88.5	167.9	169	50.6	-94	88.4	0	0	112.5	K291	K291-E293 IonicContact NZ-OE2 2.72Å
294	E	30.2	Very low	36.6	Very low	141 Å²	141	150.9 Å²	150.9	66%	0.659	79%	0.787	S	S	*	*				-171.9	141.3	110.4	-172.8	153.2	136.2	0	0	112.6
295	K	37.2	Very low	36.3	Very low	152 Å²	152	149.3 Å²	149.3	66%	0.661	78%	0.782	S	S	*	*			trans	9.7	148.1	156.1	-54.8	157.4	-150.4	151.7	0	119
296	L	38.2	Very low	36	Very low	149 Å²	149	149.6 Å²	149.6	78%	0.78	79%	0.785	S	S	*	*				-171.6	143.1	72.3	-96.2	174.6	0	0	0	116.5
297	K	34.9	Very low	34.9	Very low	200 Å²	200	147.7 Å²	147.7	87%	0.87	79%	0.786	S	S	*	*			trans	66.1	151.4	145.5	-132.5	80.2	175.7	-169.8	0	120.6
298	A	37.8	Very low	34.3	Very low	106 Å²	106	140.7 Å²	140.7	88%	0.876	78%	0.775	S	S	*	*			trans	-145	157.9	175.5	0	0	0	0	0	111.9
299	G	30.7	Very low	33.5	Very low	69 Å²	69	146.4 Å²	146.4	71%	0.711	78%	0.781	S	S	*	*			trans	-167.1	137.8	167	0	0	0	0	0	108.7
300	R	31.7	Very low	33.1	Very low	249 Å²	249	143.8 Å²	143.8	94%	0.94	77%	0.77	S	S	*	*			cis	75.8	120.4	40.2	-163.5	166.3	-169.4	-175.7	3.7	110.7
301	V	37.1	Very low	32.4	Very low	116 Å²	116	144.6 Å²	144.6	70%	0.703	77%	0.77	S	S	*	*			cis	-158.2	158.9	7.2	80.1	0	0	0	0	113.4
302	K	35	Very low	31.8	Very low	198 Å²	198	145.7 Å²	145.7	86%	0.861	78%	0.777	S	S	*	*			trans	-160.4	159.8	131.5	-154.9	73.3	178.1	-173.6	0	109.2
303	R	36	Very low	32	Very low	224 Å²	224	143.6 Å²	143.6	85%	0.845	77%	0.766	S	S	*	*			trans	-147.6	151.1	-174.9	-120.7	-159.3	-170.8	-157.6	5.6	111.9
304	S	26.2	Very low	31.6	Very low	99 Å²	99	145.2 Å²	145.2	69%	0.692	77%	0.774	S	S	*	*			trans	-163.9	110.7	147	45.1	0	0	0	0	105.6
305	E	28.7	Very low	31.5	Very low	187 Å²	187	149.9 Å²	149.9	87%	0.874	79%	0.786	S	S	*	*				76.7	129.4	87	-72.9	166.2	177.4	0	0	113.2
306	G	33.6	Very low	31.1	Very low	70 Å²	70	154 Å²	154	72%	0.722	80%	0.797	S	S	*	*			cis	173.7	165.9	-6.5	0	0	0	0	0	113.6
307	C	25.1	Very low	31.1	Very low	146 Å²	146	153 Å²	153	99%	0.986	80%	0.8	S	S	*	*			trans	66.3	148.1	177.5	-146.5	0	0	0	0	115.6
308	G	28.7	Very low	30.8	Very low	69 Å²	69	148.3 Å²	148.3	71%	0.711	80%	0.798	S	S	*	*			cis	167	164.2	-4.8	0	0	0	0	0	108.2
309	F	25.3	Very low	30.3	Very low	189 Å²	189	149.4 Å²	149.4	83%	0.829	80%	0.799	S	S	*	*			cis	-159.7	170.4	-2.3	174.7	-100	0	0	0	108.8
310	N	26	Very low	30.4	Very low	115 Å²	115	150.4 Å²	150.4	62%	0.615	80%	0.801	S	S	*	*			trans	-32.1	143.2	-178.5	-70.4	-41.9	0	0	0	119.4
311	D	25.8	Very low	30.6	Very low	137 Å²	137	147.1 Å²	147.1	73%	0.733	80%	0.796	S	S	*	*				78.8	126.3	80	-143.9	-95.6	0	0	0	112.4
312	E	29.4	Very low	30.1	Very low	182 Å²	182	147.4 Å²	147.4	85%	0.85	80%	0.803	S	S	*	*				-164.5	174.3	98.2	-108	-140.9	14.1	0	0	112.7
313	P	40.2	Very low	29.9	Very low	89 Å²	89	143.5 Å²	143.5	58%	0.578	80%	0.801	S	S	*	*			trans	-137.3	-157.7	-136.7	41.4	-20.5	0	0	0	117.1
314	Q	26.5	Very low	30.1	Very low	163 Å²	163	142.4 Å²	142.4	76%	0.762	80%	0.802	S	S	*	*			trans	81	101.7	141	175.5	165.6	-105.3	0	0	120.9
315	R	28.6	Very low	30.3	Very low	239 Å²	239	147.5 Å²	147.5	90%	0.902	81%	0.812	S	S	*	*				-175.7	157.8	114.9	-101.8	168.3	-166.4	176.6	6.5	115
316	R	28.5	Very low	30.6	Very low	237 Å²	237	147.5 Å²	147.5	89%	0.894	81%	0.812	S	S	*	*			trans	-111.9	168.5	161.4	-101.4	-171.8	-172.3	-170.8	5.4	107.3
317	P	37.4	Very low	30.6	Very low	130 Å²	130	149.6 Å²	149.6	84%	0.844	81%	0.813	S	S	*	*			cis	-140.9	-148.8	39.3	42.3	-20.7	0	0	0	114.4
318	A	29.7	Very low	30.7	Very low	100 Å²	100	148 Å²	148	83%	0.826	80%	0.798	S	S	*	*			trans	-122.4	154.9	-172.6	0	0	0	0	0	113.4
319	S	26.1	Very low	31	Very low	129 Å²	129	152.1 Å²	152.1	90%	0.902	81%	0.81	S	S	*	*			trans	-158	-175.5	163.3	63.6	0	0	0	0	109.4
320	A	32.7	Very low	31.7	Very low	90 Å²	90	148.8 Å²	148.8	74%	0.744	81%	0.805	S	S	*	*			trans	-144.1	171.5	-167	0	0	0	0	0	115
321	Q	35.7	Very low	32.4	Very low	181 Å²	181	148.2 Å²	148.2	85%	0.846	81%	0.81	S	S	*	*			trans	93.4	123.1	163.5	-58.1	-168.3	-20.3	0	0	120.7
322	S	28.2	Very low	32.9	Very low	122 Å²	122	147.7 Å²	147.7	85%	0.853	82%	0.817	S	S	*	*			trans	70	158.5	158.4	87.7	0	0	0	0	117.2
323	S	29.7	Very low	33.6	Very low	115 Å²	115	141 Å²	141	80%	0.804	80%	0.796	S	S	*	*			cis	-145.4	-163.8	6.2	73.5	0	0	0	0	113.1
324	K	40.3	Very low	33.9	Very low	201 Å²	201	138.8 Å²	138.8	87%	0.874	79%	0.79	S	S	*	*			trans	-65.8	139.7	-166.7	-59.8	170.3	178.8	173.9	0	115.4
325	K	30.8	Very low	35.2	Very low	206 Å²	206	136.2 Å²	136.2	90%	0.896	79%	0.785	S	S	*	*				-174	150.4	123.2	-102.9	167.5	-177.2	179.6	0	111.1
326	E	35.4	Very low	37.3	Very low	187 Å²	187	126.7 Å²	126.7	87%	0.874	76%	0.755	S	S	*	*			trans	-73.5	156	168.2	-65.2	-166	136	0	0	111
327	P	31.7	Very low	39.6	Very low	114 Å²	114	117.2 Å²	117.2	74%	0.74	72%	0.722	S	S	*	*				-145.5	150.7	113.9	36.2	-21.7	0	0	0	116.2
328	V	28.4	Very low	41.8	Very low	112 Å²	112	114.7 Å²	114.7	68%	0.679	71%	0.705	S	S	*	*			trans	56.4	101.1	144.4	-178.1	0	0	0	0	118.1	T330	V328-T330 HydrophobicContact CG1-CG2 3.56Å; V328-T330 WeakPolarHBondContact CG1-OG1 3.45Å; V328-T330 PolarHBondContact O-N 3.43Å
329	T	33.9	Very low	44.4	Very low	157 Å²	157	115.3 Å²	115.3	96%	0.963	69%	0.69	S	S	*	*			trans	-77.8	73.9	168.9	22.8	0	0	0	0	113.3
330	T	40.8	Very low	47.3	Very low	119 Å²	119	110.9 Å²	110.9	73%	0.73	65%	0.654	S	S	*	*			trans	-116.9	64.8	173.2	56.1	0	0	0	0	114.1	V328	V328-T330 HydrophobicContact CG1-CG2 3.56Å; V328-T330 WeakPolarHBondContact CG1-OG1 3.45Å; V328-T330 PolarHBondContact O-N 3.43Å
331	S	41.6	Very low	49.8	Very low	103 Å²	103	110.9 Å²	110.9	72%	0.72	64%	0.639	S	S	*	*			trans	-172	90	149.2	-172	0	0	0	0	112.5	G333	S331-G333 VanDerWaalsContact C-N 3.26Å; S331-G333 PolarHBondContact O-N 2.84Å
332	S	35.6	Very low	52.1	Low	126 Å²	126	109.2 Å²	109.2	88%	0.881	63%	0.625	S	S	*	*			trans	-93.5	40.6	172.4	-154.2	0	0	0	0	112.2
333	G	44.5	Very low	54.8	Low	40 Å²	40	105.2 Å²	105.2	41%	0.412	60%	0.595	S	S	.	*	S	Bend	trans	-105.4	-28.9	-171.2	0	0	0	0	0	116.4	S331	S331-G333 VanDerWaalsContact C-N 3.26Å; S331-G333 PolarHBondContact O-N 2.84Å
334	G	46.8	Very low	57.5	Low	43 Å²	43	100.6 Å²	100.6	44%	0.443	56%	0.561	S	S	.	*	S	Bend	trans	-101.8	-27.6	-169.9	0	0	0	0	0	116.3	T338	G334-T338 WeakPolarHBondContact O-CG2 3.37Å; G334-T338 PolarHBondContact O-N 2.89Å; G334-T338 PolarHBondContact O-OG1 3.05Å
335	V	53.5	Low	59.5	Low	109 Å²	109	95.4 Å²	95.4	66%	0.661	55%	0.55	S	S	*	*	H	α-helix	trans	-70.1	-40.1	-171.5	-172.6	0	0	0	0	111.7	T338 Q339	V335-T338 PolarHBondContact O-OG1 2.94Å; V335-Q339 PolarHBondContact O-N 3.01Å
336	S	70.9	Confident	62.1	Low	39 Å²	39	92.2 Å²	92.2	27%	0.273	54%	0.538	S	S	.	.	H	α-helix	trans	-67.3	-48	178.1	46	0	0	0	0	112.9	T338 Q339 W340	S336-T338 VanDerWaalsContact C-N 3.31Å; S336-T338 PolarHBondContact O-N 3.4Å; S336-Q339 PolarHBondContact O-N 2.62Å; S336-Q339 VanDerWaalsContact O-N 3.17Å; S336-W340 VanDerWaalsContact O-CD2 3.29Å; S336-W340 VanDerWaalsContact O-CG 3.28Å; S336-W340 PolarHBondContact O-N 3.31Å
337	D	78.6	Confident	64.2	Low	38 Å²	38	92.7 Å²	92.7	20%	0.203	53%	0.532	C	S	.	.	H	α-helix	trans	-57.9	-40.8	177.9	-86.3	8.8	0	0	0	111.6	W340 Q341 I363 K367	D337-W340 PolarHBondContact O-N 3.32Å; D337-W340 WeakPolarHBondContact OD1-CZ3 3.46Å; D337-Q341 PolarHBondContact O-N 3.36Å; D337-I363 WeakPolarHBondContact O-CD1 3.49Å; D337-K367 IonicContact OD1-NZ 3.64Å; D337-K367 PolarHBondContact OD1-NZ 3.12Å; D337-K367 VanDerWaalsContact OD1-NZ 3.14Å; D337-K367 IonicContact OD2-NZ 2.66Å; D337-K367 PolarHBondContact OD2-NZ 3.49Å
338	T	83.6	Confident	66.5	Low	78 Å²	78	89.2 Å²	89.2	48%	0.479	52%	0.517	S	S	.	.	H	α-helix	trans	-73.5	-27.6	178.2	60.3	0	0	0	0	114	G334 V335 S336 R342	G334-T338 WeakPolarHBondContact O-CG2 3.37Å; G334-T338 PolarHBondContact O-N 2.89Å; G334-T338 PolarHBondContact O-OG1 3.05Å; V335-T338 PolarHBondContact O-OG1 2.94Å; S336-T338 VanDerWaalsContact C-N 3.31Å; S336-T338 PolarHBondContact O-N 3.4Å; T338-R342 PolarHBondContact O-N 3.48Å; T338-R342 PolarHBondContact O-NE 3.05Å
339	Q	84	Confident	69.1	Low	112 Å²	112	87.1 Å²	87.1	52%	0.523	50%	0.5	S	S	.	.	H	α-helix	trans	-71.2	-40.7	170.2	-176.9	176.1	-11.4	0	0	111.2	V335 S336 R342 T343	V335-Q339 PolarHBondContact O-N 3.01Å; S336-Q339 PolarHBondContact O-N 2.62Å; S336-Q339 VanDerWaalsContact O-N 3.17Å; Q339-R342 PolarHBondContact O-N 2.85Å; Q339-T343 PolarHBondContact O-N 3.35Å; Q339-T343 PolarHBondContact O-OG1 2.99Å
340	W	86.8	Confident	71.7	Confident	37 Å²	37	80 Å²	80	14%	0.14	46%	0.456	C	S	.	.	H	α-helix	trans	-67.3	-35.3	173.4	-59.2	-30.5	0	0	0	112.1	S336 D337 T343 I344 V350 P353 I363 L366 M370	S336-W340 VanDerWaalsContact O-CD2 3.29Å; S336-W340 VanDerWaalsContact O-CG 3.28Å; S336-W340 PolarHBondContact O-N 3.31Å; D337-W340 PolarHBondContact O-N 3.32Å; D337-W340 WeakPolarHBondContact OD1-CZ3 3.46Å; W340-T343 PolarHBondContact O-N 3.07Å; W340-I344 WeakPolarHBondContact O-CB 3.46Å; W340-I344 WeakPolarHBondContact O-CD1 3.49Å; W340-I344 VanDerWaalsContact O-CG1 3.24Å; W340-I344 WeakPolarHBondContact O-CG1 3.48Å; W340-I344 PolarHBondContact O-N 3.11Å; W340-V350 HydrophobicContact CB-CG2 4.47Å; W340-V350 HydrophobicContact CG-CG2 4.28Å; W340-P353 HydrophobicContact CZ2-CG 4.47Å; W340-I363 HydrophobicContact CB-CG1 4.43Å; W340-L366 HydrophobicContact CB-CD2 4.27Å; W340-L366 HydrophobicContact CD2-CD2 3.45Å; W340-L366 VanDerWaalsContact CD2-CD2 3.45Å; W340-L366 HydrophobicContact CE3-CD2 3.7Å; W340-L366 HydrophobicContact CG-CD2 3.71Å; W340-L366 HydrophobicContact CZ2-CD2 4.38Å; W340-L366 HydrophobicContact CZ3-CD2 4.27Å; W340-M370 HydrophobicContact CH2-CE 3.72Å; W340-M370 HydrophobicContact CH2-SD 3.39Å; W340-M370 WeakPolarHBondContact CH2-SD 3.44Å; W340-M370 HydrophobicContact CZ2-CE 4.01Å; W340-M370 HydrophobicContact CZ2-SD 3.74Å; W340-M370 HydrophobicContact CZ3-SD 4.01Å
341	Q	84.7	Confident	74	Confident	90 Å²	90	77.9 Å²	77.9	42%	0.421	44%	0.443	S	S	.	.	H	α-helix	trans	-58.3	-50.2	174.1	-169	49	71.9	0	0	111.5	D337 I344 S345 I363	D337-Q341 PolarHBondContact O-N 3.36Å; Q341-I344 PolarHBondContact O-N 3.25Å; Q341-S345 PolarHBondContact NE2-OG 2.91Å; Q341-S345 WeakPolarHBondContact O-CB 3.46Å; Q341-S345 PolarHBondContact O-N 3.36Å; Q341-S345 PolarHBondContact O-OG 2.92Å; Q341-S345 VanDerWaalsContact O-OG 3.08Å; Q341-I363 HydrophobicContact CB-CD1 3.73Å; Q341-I363 HydrophobicContact CG-CD1 4.31Å; Q341-I363 VanDerWaalsContact OE1-CD1 3.22Å
342	R	84.5	Confident	76.3	Confident	145 Å²	145	73 Å²	73	55%	0.547	41%	0.409	S	S	.	.	H	α-helix	trans	-61	-47.8	176.7	-77.1	178.8	-74	157.2	-6.5	111.6	T338 Q339 I344 S345 E346	T338-R342 PolarHBondContact O-N 3.48Å; T338-R342 PolarHBondContact O-NE 3.05Å; Q339-R342 PolarHBondContact O-N 2.85Å; R342-I344 VanDerWaalsContact C-N 3.3Å; R342-I344 PolarHBondContact O-N 3.42Å; R342-S345 PolarHBondContact O-N 3.19Å; R342-S345 VanDerWaalsContact O-N 3.11Å; R342-E346 WeakPolarHBondContact O-CB 3.27Å; R342-E346 VanDerWaalsContact O-CG 3.27Å; R342-E346 WeakPolarHBondContact O-CG 3.4Å; R342-E346 PolarHBondContact O-N 2.84Å
343	T	84.5	Confident	78.6	Confident	38 Å²	38	71 Å²	71	23%	0.233	39%	0.393	C	S	.	.	H	α-helix	trans	-57.2	-41.5	177.7	-49.9	0	0	0	0	112.3	Q339 W340 R347 V350	Q339-T343 PolarHBondContact O-N 3.35Å; Q339-T343 PolarHBondContact O-OG1 2.99Å; W340-T343 PolarHBondContact O-N 3.07Å; T343-R347 VanDerWaalsContact O-CB 3.32Å; T343-R347 WeakPolarHBondContact O-CB 3.3Å; T343-R347 PolarHBondContact O-N 2.96Å; T343-V350 HydrophobicContact CG2-CB 4.22Å; T343-V350 HydrophobicContact CG2-CG2 4.17Å
344	I	85.8	Confident	80.2	Confident	19 Å²	19	70.7 Å²	70.7	10%	0.097	38%	0.383	C	S	.	.	H	α-helix	trans	-68.6	-44.5	175.9	-69.2	162.1	0	0	0	111.1	W340 Q341 R342 E346 G348 V350 K361 I363	W340-I344 WeakPolarHBondContact O-CB 3.46Å; W340-I344 WeakPolarHBondContact O-CD1 3.49Å; W340-I344 VanDerWaalsContact O-CG1 3.24Å; W340-I344 WeakPolarHBondContact O-CG1 3.48Å; W340-I344 PolarHBondContact O-N 3.11Å; Q341-I344 PolarHBondContact O-N 3.25Å; R342-I344 VanDerWaalsContact C-N 3.3Å; R342-I344 PolarHBondContact O-N 3.42Å; I344-E346 VanDerWaalsContact C-N 3.31Å; I344-E346 PolarHBondContact O-N 2.95Å; I344-G348 WeakPolarHBondContact O-CA 3.33Å; I344-G348 PolarHBondContact O-N 3.38Å; I344-V350 HydrophobicContact CD1-CB 4.47Å; I344-V350 HydrophobicContact CD1-CG1 3.65Å; I344-V350 HydrophobicContact CG1-CB 3.89Å; I344-V350 HydrophobicContact CG1-CG1 3.54Å; I344-K361 VanDerWaalsContact CG2-O 3.27Å; I344-K361 WeakPolarHBondContact CG2-O 3Å; I344-I363 HydrophobicContact CD1-CG1 3.69Å
345	S	82.8	Confident	81.9	Confident	92 Å²	92	70.4 Å²	70.4	64%	0.643	37%	0.374	S	S	*	.	H	α-helix	trans	-65.1	-33.6	179.1	-64	0	0	0	0	112.8	Q341 R342	Q341-S345 PolarHBondContact NE2-OG 2.91Å; Q341-S345 WeakPolarHBondContact O-CB 3.46Å; Q341-S345 PolarHBondContact O-N 3.36Å; Q341-S345 PolarHBondContact O-OG 2.92Å; Q341-S345 VanDerWaalsContact O-OG 3.08Å; R342-S345 PolarHBondContact O-N 3.19Å; R342-S345 VanDerWaalsContact O-N 3.11Å
346	E	85.3	Confident	83.2	Confident	138 Å²	138	69.6 Å²	69.6	65%	0.645	37%	0.373	S	S	*	.	H	α-helix	trans	-85	-33.6	-179	-69.9	163.3	-154.8	0	0	113.5	R342 I344	R342-E346 WeakPolarHBondContact O-CB 3.27Å; R342-E346 VanDerWaalsContact O-CG 3.27Å; R342-E346 WeakPolarHBondContact O-CG 3.4Å; R342-E346 PolarHBondContact O-N 2.84Å; I344-E346 VanDerWaalsContact C-N 3.31Å; I344-E346 PolarHBondContact O-N 2.95Å
347	R	79.4	Confident	83.8	Confident	198 Å²	198	74.7 Å²	74.7	75%	0.747	40%	0.396	S	S	*	.	H	α-helix	trans	-122.4	0.1	-170.3	-53.6	-172.6	178.8	-152.1	-3.3	114.7	T343 E349	T343-R347 VanDerWaalsContact O-CB 3.32Å; T343-R347 WeakPolarHBondContact O-CB 3.3Å; T343-R347 PolarHBondContact O-N 2.96Å; R347-E349 PolarHBondContact O-N 2.84Å
348	G	79.8	Confident	84.1	Confident	41 Å²	41	74.5 Å²	74.5	42%	0.423	40%	0.396	S	S	.	.	S	Bend	trans	70.8	-26.2	-174.6	0	0	0	0	0	115.1	I344 K361	I344-G348 WeakPolarHBondContact O-CA 3.33Å; I344-G348 PolarHBondContact O-N 3.38Å; G348-K361 WeakPolarHBondContact O-CA 3.23Å
349	E	82.8	Confident	84.3	Confident	68 Å²	68	73.5 Å²	73.5	32%	0.318	39%	0.389	S	S	.	.			trans	-140.5	146.4	-178.1	-58.6	-161.8	-141.5	0	0	113	R347 T359 R360 K361	R347-E349 PolarHBondContact O-N 2.84Å; E349-T359 WeakPolarHBondContact OE2-CB 3.25Å; E349-T359 PolarHBondContact OE2-OG1 3.4Å; E349-R360 WeakPolarHBondContact CA-O 3.48Å; E349-K361 HydrophobicContact CG-CD 3.85Å; E349-K361 HydrophobicContact CG-CG 4.03Å; E349-K361 WeakPolarHBondContact OE1-CE 3.37Å; E349-K361 IonicContact OE1-NZ 2.68Å; E349-K361 PolarHBondContact OE1-NZ 3.5Å; E349-K361 WeakPolarHBondContact OE2-CE 3.32Å; E349-K361 IonicContact OE2-NZ 2.6Å; E349-K361 PolarHBondContact OE2-NZ 2.86Å
350	V	89.8	Confident	84.5	Confident	7 Å²	7	73 Å²	73	4%	0.042	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	138.7	169.4	61	0	0	0	0	110.3	W340 T343 I344 T359 R360 L366	W340-V350 HydrophobicContact CB-CG2 4.47Å; W340-V350 HydrophobicContact CG-CG2 4.28Å; T343-V350 HydrophobicContact CG2-CB 4.22Å; T343-V350 HydrophobicContact CG2-CG2 4.17Å; I344-V350 HydrophobicContact CD1-CB 4.47Å; I344-V350 HydrophobicContact CD1-CG1 3.65Å; I344-V350 HydrophobicContact CG1-CB 3.89Å; I344-V350 HydrophobicContact CG1-CG1 3.54Å; V350-T359 CarbonylContact O-C 3.24Å; V350-T359 WeakPolarHBondContact O-CA 3.14Å; V350-R360 PolarHBondContact N-O 3.07Å; V350-R360 PolarHBondContact O-N 2.84Å; V350-L366 HydrophobicContact CG1-CB 4.28Å; V350-L366 HydrophobicContact CG1-CD1 4.29Å; V350-L366 HydrophobicContact CG1-CD2 3.76Å; V350-L366 HydrophobicContact CG1-CG 4.32Å; V350-L366 HydrophobicContact CG2-CD2 4.19Å
351	V	89.5	Confident	84.4	Confident	74 Å²	74	77.3 Å²	77.3	45%	0.448	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	140	176.2	-167.4	0	0	0	0	109.5	P353 S356 T359	V351-P353 WeakPolarHBondContact O-CD 3.43Å; V351-S356 VanDerWaalsContact CG1-O 3.3Å; V351-S356 WeakPolarHBondContact CG1-O 3.31Å; V351-T359 HydrophobicContact CG2-CG2 4.19Å
352	C	88.8	Confident	84.5	Confident	1 Å²	1	76.7 Å²	76.7	1%	0.007	41%	0.405	C	S	.	.			trans	-65.8	121.7	172.4	-177	0	0	0	0	112.1	T354 S356 V358 L366 H369	C352-T354 PolarHBondContact O-N 3.18Å; C352-T354 PolarHBondContact SG-N 2.86Å; C352-S356 VanDerWaalsContact O-CA 3.27Å; C352-S356 WeakPolarHBondContact O-CA 2.96Å; C352-S356 PolarHBondContact O-N 3.39Å; C352-V358 WeakPolarHBondContact CB-O 3.47Å; C352-V358 PolarHBondContact N-O 3.4Å; C352-L366 HydrophobicContact CB-CD1 4.08Å; C352-H369 VanDerWaalsContact CB-CD2 3.44Å; C352-H369 WeakPolarHBondContact CB-CD2 3.36Å; C352-H369 WeakPolarHBondContact CB-NE2 3.28Å; C352-H369 PolarHBondContact SG-CD2 3.29Å; C352-H369 PolarHBondContact SG-NE2 3.25Å
353	P	84.1	Confident	84.7	Confident	84 Å²	84	71.2 Å²	71.2	55%	0.545	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.9	178.6	28.8	-35.5	0	0	0	112.8	W340 V351 M370	W340-P353 HydrophobicContact CZ2-CG 4.47Å; V351-P353 WeakPolarHBondContact O-CD 3.43Å; P353-M370 HydrophobicContact CG-CE 4.1Å
354	T	78.9	Confident	84.9	Confident	34 Å²	34	76.2 Å²	76.2	21%	0.209	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-24.1	-173.6	-44.2	0	0	0	0	113.4	C352 C373 Q377	C352-T354 PolarHBondContact O-N 3.18Å; C352-T354 PolarHBondContact SG-N 2.86Å; T354-C373 HydrophobicContact CG2-CB 4.3Å; T354-C373 VanDerWaalsContact CG2-SG 3.58Å; T354-Q377 VanDerWaalsContact CG2-CD 3.48Å; T354-Q377 HydrophobicContact CG2-CG 4.33Å; T354-Q377 VanDerWaalsContact CG2-NE2 3.31Å; T354-Q377 PolarHBondContact O-NE2 3.4Å
355	C	82.7	Confident	85	Confident	37 Å²	37	76.3 Å²	76.3	25%	0.25	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.1	-14.4	175.4	69.7	0	0	0	0	115.6	I357 H369	C355-I357 WeakPolarHBondContact O-CG1 3.37Å; C355-I357 PolarHBondContact O-N 3.25Å; C355-H369 PolarHBondContact SG-NE2 3.38Å
356	S	80.3	Confident	85.3	Confident	91 Å²	91	71.9 Å²	71.9	64%	0.636	38%	0.382	S	S	*	.	S	Bend	trans	57.5	-3.7	-174.8	-50.4	0	0	0	0	116.9	V351 C352	V351-S356 VanDerWaalsContact CG1-O 3.3Å; V351-S356 WeakPolarHBondContact CG1-O 3.31Å; C352-S356 VanDerWaalsContact O-CA 3.27Å; C352-S356 WeakPolarHBondContact O-CA 2.96Å; C352-S356 PolarHBondContact O-N 3.39Å
357	I	82.4	Confident	85.4	Confident	147 Å²	147	69.9 Å²	69.9	75%	0.754	37%	0.37	S	S	*	.	S	Bend	trans	-98.4	-32.8	-172.3	-68.8	156.5	0	0	0	112.3	C355	C355-I357 WeakPolarHBondContact O-CG1 3.37Å; C355-I357 PolarHBondContact O-N 3.25Å
358	V	85.4	Confident	85.9	Confident	33 Å²	33	65.7 Å²	65.7	20%	0.2	36%	0.358	C	S	.	.			trans	-100.5	116.1	-173.1	179.5	0	0	0	0	110.6	C352 R360	C352-V358 WeakPolarHBondContact CB-O 3.47Å; C352-V358 PolarHBondContact N-O 3.4Å; V358-R360 HydrophobicContact CG1-CG 4.33Å
359	T	87.9	Confident	86.2	Confident	57 Å²	57	64.7 Å²	64.7	35%	0.35	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	150.6	169.8	69.6	0	0	0	0	111.5	E349 V350 V351	E349-T359 WeakPolarHBondContact OE2-CB 3.25Å; E349-T359 PolarHBondContact OE2-OG1 3.4Å; V350-T359 CarbonylContact O-C 3.24Å; V350-T359 WeakPolarHBondContact O-CA 3.14Å; V351-T359 HydrophobicContact CG2-CG2 4.19Å
360	R	87.4	Confident	86.5	Confident	102 Å²	102	63.5 Å²	63.5	39%	0.385	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	138.1	179.5	-67.9	-66.6	178.9	-114.3	10.7	111.4	E349 V350 V358 T362 L366	E349-R360 WeakPolarHBondContact CA-O 3.48Å; V350-R360 PolarHBondContact N-O 3.07Å; V350-R360 PolarHBondContact O-N 2.84Å; V358-R360 HydrophobicContact CG1-CG 4.33Å; R360-T362 VanDerWaalsContact C-N 3.33Å; R360-L366 HydrophobicContact CB-CB 4.15Å; R360-L366 HydrophobicContact CG-CB 4.47Å
361	K	86.7	Confident	86.5	Confident	127 Å²	127	68.1 Å²	68.1	55%	0.552	36%	0.358	S	S	*	.	S	Bend	trans	-81.1	-6	178	-72.2	69.8	171.2	161.7	0	113.8	I344 G348 E349	I344-K361 VanDerWaalsContact CG2-O 3.27Å; I344-K361 WeakPolarHBondContact CG2-O 3Å; G348-K361 WeakPolarHBondContact O-CA 3.23Å; E349-K361 HydrophobicContact CG-CD 3.85Å; E349-K361 HydrophobicContact CG-CG 4.03Å; E349-K361 WeakPolarHBondContact OE1-CE 3.37Å; E349-K361 IonicContact OE1-NZ 2.68Å; E349-K361 PolarHBondContact OE1-NZ 3.5Å; E349-K361 WeakPolarHBondContact OE2-CE 3.32Å; E349-K361 IonicContact OE2-NZ 2.6Å; E349-K361 PolarHBondContact OE2-NZ 2.86Å
362	T	86.4	Confident	86.3	Confident	78 Å²	78	69.1 Å²	69.1	48%	0.479	36%	0.36	S	S	.	.	S	Bend	trans	-147.2	144.6	-172.8	61.8	0	0	0	0	111.2	R360 H364 G365 L366	R360-T362 VanDerWaalsContact C-N 3.33Å; T362-H364 VanDerWaalsContact C-N 3.32Å; T362-H364 PolarHBondContact O-N 3.15Å; T362-G365 PolarHBondContact O-N 2.96Å; T362-G365 VanDerWaalsContact O-N 3.15Å; T362-G365 PolarHBondContact OG1-N 3.1Å; T362-L366 PolarHBondContact O-N 3.11Å
363	I	88.3	Confident	86.1	Confident	30 Å²	30	69.4 Å²	69.4	15%	0.154	36%	0.362	C	S	.	.	H	α-helix	trans	-58.5	-45.8	176.6	-60.2	176.6	0	0	0	110.3	D337 W340 Q341 I344 G365 L366 K367	D337-I363 WeakPolarHBondContact O-CD1 3.49Å; W340-I363 HydrophobicContact CB-CG1 4.43Å; Q341-I363 HydrophobicContact CB-CD1 3.73Å; Q341-I363 HydrophobicContact CG-CD1 4.31Å; Q341-I363 VanDerWaalsContact OE1-CD1 3.22Å; I344-I363 HydrophobicContact CD1-CG1 3.69Å; I363-G365 PolarHBondContact O-N 3.25Å; I363-L366 CarbonylContact O-C 3.56Å; I363-L366 WeakPolarHBondContact O-CA 3.32Å; I363-L366 WeakPolarHBondContact O-CB 3.27Å; I363-L366 PolarHBondContact O-N 3.07Å; I363-K367 WeakPolarHBondContact O-CB 3.45Å; I363-K367 PolarHBondContact O-N 2.84Å
364	H	88.5	Confident	86.2	Confident	143 Å²	143	69.3 Å²	69.3	66%	0.662	35%	0.354	S	S	*	.	H	α-helix	trans	-61.2	-35	179.9	-169	68.8	0	0	0	112.4	T362 K368	T362-H364 VanDerWaalsContact C-N 3.32Å; T362-H364 PolarHBondContact O-N 3.15Å; H364-K368 WeakPolarHBondContact O-CB 3.45Å; H364-K368 WeakPolarHBondContact O-CG 3.16Å; H364-K368 PolarHBondContact O-N 3.22Å
365	G	88	Confident	86.4	Confident	20 Å²	20	73.9 Å²	73.9	21%	0.206	37%	0.371	C	S	.	.	H	α-helix	trans	-71.2	-34.1	172.6	0	0	0	0	0	113.7	T362 I363 H369	T362-G365 PolarHBondContact O-N 2.96Å; T362-G365 VanDerWaalsContact O-N 3.15Å; T362-G365 PolarHBondContact OG1-N 3.1Å; I363-G365 PolarHBondContact O-N 3.25Å; G365-H369 WeakPolarHBondContact O-CB 3.36Å; G365-H369 PolarHBondContact O-N 2.77Å
366	L	88.4	Confident	86.4	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-68.5	-51.4	171.8	-176.7	70.6	0	0	0	111.2	W340 V350 C352 R360 T362 I363 K368 H369 M370	W340-L366 HydrophobicContact CB-CD2 4.27Å; W340-L366 HydrophobicContact CD2-CD2 3.45Å; W340-L366 VanDerWaalsContact CD2-CD2 3.45Å; W340-L366 HydrophobicContact CE3-CD2 3.7Å; W340-L366 HydrophobicContact CG-CD2 3.71Å; W340-L366 HydrophobicContact CZ2-CD2 4.38Å; W340-L366 HydrophobicContact CZ3-CD2 4.27Å; V350-L366 HydrophobicContact CG1-CB 4.28Å; V350-L366 HydrophobicContact CG1-CD1 4.29Å; V350-L366 HydrophobicContact CG1-CD2 3.76Å; V350-L366 HydrophobicContact CG1-CG 4.32Å; V350-L366 HydrophobicContact CG2-CD2 4.19Å; C352-L366 HydrophobicContact CB-CD1 4.08Å; R360-L366 HydrophobicContact CB-CB 4.15Å; R360-L366 HydrophobicContact CG-CB 4.47Å; T362-L366 PolarHBondContact O-N 3.11Å; I363-L366 CarbonylContact O-C 3.56Å; I363-L366 WeakPolarHBondContact O-CA 3.32Å; I363-L366 WeakPolarHBondContact O-CB 3.27Å; I363-L366 PolarHBondContact O-N 3.07Å; L366-K368 PolarHBondContact O-N 3.25Å; L366-H369 CarbonylContact O-C 3.57Å; L366-H369 WeakPolarHBondContact O-CA 3.35Å; L366-H369 WeakPolarHBondContact O-CB 3.48Å; L366-H369 PolarHBondContact O-N 3.48Å; L366-M370 HydrophobicContact CD1-CG 4.42Å; L366-M370 HydrophobicContact CD2-SD 4.21Å; L366-M370 HydrophobicContact CG-CG 4.27Å; L366-M370 HydrophobicContact CG-SD 4.05Å; L366-M370 WeakPolarHBondContact O-CG 3.47Å; L366-M370 PolarHBondContact O-N 2.91Å
367	K	88.7	Confident	86.3	Confident	95 Å²	95	75.2 Å²	75.2	41%	0.413	37%	0.366	S	S	.	.	H	α-helix	trans	-60.7	-43.8	-175.5	-155.2	159.4	-168.6	159.7	0	111.7	D337 I363 H369 M370 E371	D337-K367 IonicContact OD1-NZ 3.64Å; D337-K367 PolarHBondContact OD1-NZ 3.12Å; D337-K367 VanDerWaalsContact OD1-NZ 3.14Å; D337-K367 IonicContact OD2-NZ 2.66Å; D337-K367 PolarHBondContact OD2-NZ 3.49Å; I363-K367 WeakPolarHBondContact O-CB 3.45Å; I363-K367 PolarHBondContact O-N 2.84Å; K367-H369 PolarHBondContact O-N 3.1Å; K367-M370 PolarHBondContact O-N 3.36Å; K367-E371 PolarHBondContact O-N 3.28Å
368	K	89.3	Confident	86.1	Confident	111 Å²	111	71.4 Å²	71.4	48%	0.483	35%	0.348	S	S	.	.	H	α-helix	trans	-62.4	-38	169.6	-80	176.9	164.5	167.6	0	113.2	H364 L366 I372	H364-K368 WeakPolarHBondContact O-CB 3.45Å; H364-K368 WeakPolarHBondContact O-CG 3.16Å; H364-K368 PolarHBondContact O-N 3.22Å; L366-K368 PolarHBondContact O-N 3.25Å; K368-I372 WeakPolarHBondContact O-CD1 3.48Å; K368-I372 WeakPolarHBondContact O-CG1 3.44Å; K368-I372 PolarHBondContact O-N 2.63Å
369	H	86.6	Confident	85.9	Confident	20 Å²	20	72.4 Å²	72.4	9%	0.093	36%	0.36	C	S	.	.	H	α-helix	trans	-69.2	-38.2	174.1	168.1	60.1	0	0	0	112.1	C352 C355 G365 L366 K367 I372 C373	C352-H369 VanDerWaalsContact CB-CD2 3.44Å; C352-H369 WeakPolarHBondContact CB-CD2 3.36Å; C352-H369 WeakPolarHBondContact CB-NE2 3.28Å; C352-H369 PolarHBondContact SG-CD2 3.29Å; C352-H369 PolarHBondContact SG-NE2 3.25Å; C355-H369 PolarHBondContact SG-NE2 3.38Å; G365-H369 WeakPolarHBondContact O-CB 3.36Å; G365-H369 PolarHBondContact O-N 2.77Å; L366-H369 CarbonylContact O-C 3.57Å; L366-H369 WeakPolarHBondContact O-CA 3.35Å; L366-H369 WeakPolarHBondContact O-CB 3.48Å; L366-H369 PolarHBondContact O-N 3.48Å; K367-H369 PolarHBondContact O-N 3.1Å; H369-I372 CarbonylContact O-C 3.57Å; H369-I372 PolarHBondContact O-N 2.63Å; H369-C373 VanDerWaalsContact O-CB 3.22Å; H369-C373 WeakPolarHBondContact O-CB 3.36Å; H369-C373 PolarHBondContact O-N 2.88Å
370	M	88.8	Confident	85.8	Confident	42 Å²	42	71.1 Å²	71.1	21%	0.207	35%	0.35	C	S	.	.	H	α-helix	trans	-64.8	-40	177.2	-73.7	-177.8	69.5	0	0	111.8	W340 P353 L366 K367 I372 C373 Q374	W340-M370 HydrophobicContact CH2-CE 3.72Å; W340-M370 HydrophobicContact CH2-SD 3.39Å; W340-M370 WeakPolarHBondContact CH2-SD 3.44Å; W340-M370 HydrophobicContact CZ2-CE 4.01Å; W340-M370 HydrophobicContact CZ2-SD 3.74Å; W340-M370 HydrophobicContact CZ3-SD 4.01Å; P353-M370 HydrophobicContact CG-CE 4.1Å; L366-M370 HydrophobicContact CD1-CG 4.42Å; L366-M370 HydrophobicContact CD2-SD 4.21Å; L366-M370 HydrophobicContact CG-CG 4.27Å; L366-M370 HydrophobicContact CG-SD 4.05Å; L366-M370 WeakPolarHBondContact O-CG 3.47Å; L366-M370 PolarHBondContact O-N 2.91Å; K367-M370 PolarHBondContact O-N 3.36Å; M370-I372 VanDerWaalsContact C-N 3.33Å; M370-I372 PolarHBondContact O-N 2.8Å; M370-C373 PolarHBondContact O-N 3.28Å; M370-Q374 WeakPolarHBondContact O-CB 3.02Å; M370-Q374 PolarHBondContact O-N 3.11Å
371	E	89	Confident	85.7	Confident	104 Å²	104	68.6 Å²	68.6	49%	0.486	34%	0.342	S	S	.	.	H	α-helix	trans	-58.5	-44.6	172.6	-166	-155.8	141.2	0	0	111.9	K367 K375	K367-E371 PolarHBondContact O-N 3.28Å; E371-K375 WeakPolarHBondContact O-CB 3.22Å; E371-K375 WeakPolarHBondContact O-CG 3.45Å; E371-K375 PolarHBondContact O-N 3.36Å; E371-K375 VanDerWaalsContact O-N 3.09Å; E371-K375 IonicContact OE1-NZ 3.53Å; E371-K375 PolarHBondContact OE1-NZ 3.04Å
372	I	84.9	Confident	85.7	Confident	95 Å²	95	62.7 Å²	62.7	49%	0.487	32%	0.316	S	S	.	.	H	α-helix	trans	-67.9	-39.1	175.2	-65.2	166.1	0	0	0	110.9	K368 H369 M370 K375 L376	K368-I372 WeakPolarHBondContact O-CD1 3.48Å; K368-I372 WeakPolarHBondContact O-CG1 3.44Å; K368-I372 PolarHBondContact O-N 2.63Å; H369-I372 CarbonylContact O-C 3.57Å; H369-I372 PolarHBondContact O-N 2.63Å; M370-I372 VanDerWaalsContact C-N 3.33Å; M370-I372 PolarHBondContact O-N 2.8Å; I372-K375 PolarHBondContact O-N 3Å; I372-L376 HydrophobicContact CG2-CD1 3.97Å; I372-L376 HydrophobicContact CG2-CG 4.4Å; I372-L376 WeakPolarHBondContact O-CB 3.45Å; I372-L376 VanDerWaalsContact O-CG 3.27Å; I372-L376 WeakPolarHBondContact O-CG 3.44Å; I372-L376 PolarHBondContact O-N 3.08Å
373	C	84.9	Confident	85.5	Confident	8 Å²	8	66.7 Å²	66.7	5%	0.054	33%	0.33	C	S	.	.	H	α-helix	trans	-67.9	-38.1	-179.6	-166.8	0	0	0	0	111.8	T354 H369 M370 L376 Q377	T354-C373 HydrophobicContact CG2-CB 4.3Å; T354-C373 VanDerWaalsContact CG2-SG 3.58Å; H369-C373 VanDerWaalsContact O-CB 3.22Å; H369-C373 WeakPolarHBondContact O-CB 3.36Å; H369-C373 PolarHBondContact O-N 2.88Å; M370-C373 PolarHBondContact O-N 3.28Å; C373-L376 PolarHBondContact O-N 3.36Å; C373-Q377 WeakPolarHBondContact O-CG 3.47Å; C373-Q377 PolarHBondContact O-N 2.91Å
374	Q	85.8	Confident	85	Confident	82 Å²	82	71.4 Å²	71.4	38%	0.383	35%	0.351	S	S	.	.	H	α-helix	trans	-63.8	-53.3	173.1	-174.9	57.4	54.8	0	0	109.9	M370 L376 Q377 D378	M370-Q374 WeakPolarHBondContact O-CB 3.02Å; M370-Q374 PolarHBondContact O-N 3.11Å; Q374-L376 PolarHBondContact O-N 3.29Å; Q374-Q377 PolarHBondContact O-N 3.27Å; Q374-D378 VanDerWaalsContact NE2-CG 3.35Å; Q374-D378 PolarHBondContact NE2-OD1 3.44Å; Q374-D378 PolarHBondContact NE2-OD2 2.75Å; Q374-D378 PolarHBondContact O-N 3.05Å; Q374-D378 VanDerWaalsContact O-OD2 3.06Å
375	K	83.4	Confident	84.7	Confident	129 Å²	129	66.8 Å²	66.8	56%	0.561	34%	0.335	S	S	*	.	H	α-helix	trans	-56.4	-35	175.7	-73.4	170.8	175.9	176.5	0	112.9	E371 I372 A379	E371-K375 WeakPolarHBondContact O-CB 3.22Å; E371-K375 WeakPolarHBondContact O-CG 3.45Å; E371-K375 PolarHBondContact O-N 3.36Å; E371-K375 VanDerWaalsContact O-N 3.09Å; E371-K375 IonicContact OE1-NZ 3.53Å; E371-K375 PolarHBondContact OE1-NZ 3.04Å; I372-K375 PolarHBondContact O-N 3Å; K375-A379 VanDerWaalsContact O-CB 3.23Å; K375-A379 WeakPolarHBondContact O-CB 3.35Å; K375-A379 PolarHBondContact O-N 3.23Å
376	L	82.6	Confident	84.3	Confident	101 Å²	101	70.7 Å²	70.7	53%	0.529	35%	0.347	S	S	.	.	H	α-helix	trans	-72.1	-43	172.7	-75.1	172	0	0	0	112.6	I372 C373 Q374 D378 A379 L380	I372-L376 HydrophobicContact CG2-CD1 3.97Å; I372-L376 HydrophobicContact CG2-CG 4.4Å; I372-L376 WeakPolarHBondContact O-CB 3.45Å; I372-L376 VanDerWaalsContact O-CG 3.27Å; I372-L376 WeakPolarHBondContact O-CG 3.44Å; I372-L376 PolarHBondContact O-N 3.08Å; C373-L376 PolarHBondContact O-N 3.36Å; Q374-L376 PolarHBondContact O-N 3.29Å; L376-D378 VanDerWaalsContact C-N 3.34Å; L376-D378 PolarHBondContact O-N 2.86Å; L376-A379 PolarHBondContact O-N 3.48Å; L376-L380 WeakPolarHBondContact O-CB 3.45Å; L376-L380 WeakPolarHBondContact O-CG 3.45Å; L376-L380 PolarHBondContact O-N 3.17Å; L376-L380 VanDerWaalsContact O-N 3.12Å
377	Q	78.4	Confident	83.9	Confident	55 Å²	55	75.2 Å²	75.2	26%	0.257	37%	0.367	S	S	.	.	H	α-helix	trans	-59.1	-46.1	173.5	-80	-168.8	-12.8	0	0	111.1	T354 C373 Q374 L380 K381	T354-Q377 VanDerWaalsContact CG2-CD 3.48Å; T354-Q377 HydrophobicContact CG2-CG 4.33Å; T354-Q377 VanDerWaalsContact CG2-NE2 3.31Å; T354-Q377 PolarHBondContact O-NE2 3.4Å; C373-Q377 WeakPolarHBondContact O-CG 3.47Å; C373-Q377 PolarHBondContact O-N 2.91Å; Q374-Q377 PolarHBondContact O-N 3.27Å; Q377-L380 CarbonylContact O-C 3.56Å; Q377-L380 WeakPolarHBondContact O-CA 3.07Å; Q377-L380 PolarHBondContact O-N 3.41Å; Q377-K381 PolarHBondContact O-N 2.86Å; Q377-K381 VanDerWaalsContact O-N 3.11Å
378	D	78.5	Confident	83.6	Confident	68 Å²	68	76 Å²	76	36%	0.364	37%	0.372	S	S	.	.	H	α-helix	trans	-63.9	-43.7	178.9	-64.8	-43.7	0	0	0	112	Q374 L376 L380 K381	Q374-D378 VanDerWaalsContact NE2-CG 3.35Å; Q374-D378 PolarHBondContact NE2-OD1 3.44Å; Q374-D378 PolarHBondContact NE2-OD2 2.75Å; Q374-D378 PolarHBondContact O-N 3.05Å; Q374-D378 VanDerWaalsContact O-OD2 3.06Å; L376-D378 VanDerWaalsContact C-N 3.34Å; L376-D378 PolarHBondContact O-N 2.86Å; D378-L380 PolarHBondContact O-N 3.19Å; D378-L380 VanDerWaalsContact O-N 3.09Å; D378-K381 PolarHBondContact O-N 3.23Å; D378-K381 VanDerWaalsContact O-N 3.09Å; D378-K381 VanDerWaalsContact OD1-CE 3.25Å; D378-K381 WeakPolarHBondContact OD1-CE 3.47Å; D378-K381 IonicContact OD1-NZ 2.65Å; D378-K381 PolarHBondContact OD1-NZ 2.89Å
379	A	81.4	Confident	83.2	Confident	54 Å²	54	73 Å²	73	45%	0.446	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-6.3	173.3	0	0	0	0	0	114.4	K375 L376 K392	K375-A379 VanDerWaalsContact O-CB 3.23Å; K375-A379 WeakPolarHBondContact O-CB 3.35Å; K375-A379 PolarHBondContact O-N 3.23Å; L376-A379 PolarHBondContact O-N 3.48Å; A379-K392 PolarHBondContact O-NZ 3.41Å
380	L	84.9	Confident	82.9	Confident	29 Å²	29	83.7 Å²	83.7	15%	0.152	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	6.7	175.2	-65.2	-179.8	0	0	0	113.7	L376 Q377 D378 F389 S391 K392	L376-L380 WeakPolarHBondContact O-CB 3.45Å; L376-L380 WeakPolarHBondContact O-CG 3.45Å; L376-L380 PolarHBondContact O-N 3.17Å; L376-L380 VanDerWaalsContact O-N 3.12Å; Q377-L380 CarbonylContact O-C 3.56Å; Q377-L380 WeakPolarHBondContact O-CA 3.07Å; Q377-L380 PolarHBondContact O-N 3.41Å; D378-L380 PolarHBondContact O-N 3.19Å; D378-L380 VanDerWaalsContact O-N 3.09Å; L380-F389 WeakPolarHBondContact CB-O 3.19Å; L380-F389 PolarHBondContact O-N 3.25Å; L380-S391 VanDerWaalsContact CD2-C 3.41Å; L380-K392 HydrophobicContact CD2-CB 3.75Å; L380-K392 HydrophobicContact CD2-CD 3.8Å; L380-K392 HydrophobicContact CD2-CG 4.4Å
381	K	86.7	Confident	82.5	Confident	50 Å²	50	84.4 Å²	84.4	22%	0.217	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-78.6	145.2	165.2	-67.6	175.4	-174.8	169.9	0	110.3	Q377 D378 Q383 K387 Q388 L395	Q377-K381 PolarHBondContact O-N 2.86Å; Q377-K381 VanDerWaalsContact O-N 3.11Å; D378-K381 PolarHBondContact O-N 3.23Å; D378-K381 VanDerWaalsContact O-N 3.09Å; D378-K381 VanDerWaalsContact OD1-CE 3.25Å; D378-K381 WeakPolarHBondContact OD1-CE 3.47Å; D378-K381 IonicContact OD1-NZ 2.65Å; D378-K381 PolarHBondContact OD1-NZ 2.89Å; K381-Q383 PolarHBondContact O-N 3.49Å; K381-K387 WeakPolarHBondContact CA-O 3.24Å; K381-Q388 HydrophobicContact CG-CG 4.13Å; K381-L395 WeakPolarHBondContact O-CD2 3.31Å
382	C	85.9	Confident	82.3	Confident	2 Å²	2	85.7 Å²	85.7	1%	0.014	41%	0.412	C	S	.	.			trans	-74.3	122.1	164.8	-177.1	0	0	0	0	109.8	Q384 C385 Q386 K387 F389 L395 H398 H403	C382-Q384 PolarHBondContact O-N 2.97Å; C382-Q384 VanDerWaalsContact O-N 3.16Å; C382-Q384 PolarHBondContact SG-N 2.87Å; C382-C385 PolarHBondContact O-N 2.85Å; C382-Q386 WeakPolarHBondContact O-CA 3.27Å; C382-Q386 PolarHBondContact O-N 2.75Å; C382-K387 PolarHBondContact N-O 2.97Å; C382-F389 HydrophobicContact CB-CE2 4.11Å; C382-L395 HydrophobicContact CB-CD1 3.81Å; C382-H398 VanDerWaalsContact CB-NE2 3.27Å; C382-H398 WeakPolarHBondContact CB-NE2 3.43Å; C382-H398 PolarHBondContact SG-NE2 3.22Å; C382-H403 VanDerWaalsContact SG-CD2 3.52Å
383	Q	81.6	Confident	82.2	Confident	163 Å²	163	83.9 Å²	83.9	76%	0.762	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.2	179.3	-167.4	60.4	43.2	0	0	113	K381 Q386	K381-Q383 PolarHBondContact O-N 3.49Å; Q383-Q386 PolarHBondContact O-NE2 3.18Å
384	Q	78.1	Confident	82.3	Confident	128 Å²	128	84.7 Å²	84.7	60%	0.598	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-31.3	-174.1	-58.4	-173.6	30.3	0	0	113.9	C382 H403	C382-Q384 PolarHBondContact O-N 2.97Å; C382-Q384 VanDerWaalsContact O-N 3.16Å; C382-Q384 PolarHBondContact SG-N 2.87Å; Q384-H403 PolarHBondContact OE1-ND1 2.91Å
385	C	83	Confident	82.4	Confident	47 Å²	47	81.2 Å²	81.2	32%	0.318	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134	7.3	-177.7	68.9	0	0	0	0	115	C382 K387 H398 H403	C382-C385 PolarHBondContact O-N 2.85Å; C385-K387 PolarHBondContact O-N 3.49Å; C385-H398 PolarHBondContact SG-CE1 2.83Å; C385-H398 PolarHBondContact SG-NE2 2.71Å; C385-H403 PolarHBondContact SG-NE2 3.3Å
386	Q	79.1	Confident	82.5	Confident	101 Å²	101	79.2 Å²	79.2	47%	0.472	40%	0.401	S	S	.	.			trans	56.7	4.6	175.4	-58.2	-60.1	-32	0	0	117.4	C382 Q383 Q388	C382-Q386 WeakPolarHBondContact O-CA 3.27Å; C382-Q386 PolarHBondContact O-N 2.75Å; Q383-Q386 PolarHBondContact O-NE2 3.18Å; Q386-Q388 PolarHBondContact O-N 3.21Å
387	K	80.3	Confident	82.8	Confident	96 Å²	96	82.3 Å²	82.3	42%	0.417	41%	0.406	S	S	.	.			trans	-51.6	130.3	168.6	-67.9	177.1	-174.3	175.7	0	110.3	K381 C382 C385 F389 E402	K381-K387 WeakPolarHBondContact CA-O 3.24Å; C382-K387 PolarHBondContact N-O 2.97Å; C385-K387 PolarHBondContact O-N 3.49Å; K387-F389 HydrophobicContact CB-CE2 3.58Å; K387-F389 HydrophobicContact CB-CZ 3.75Å; K387-F389 HydrophobicContact CD-CZ 4.33Å; K387-F389 WeakPolarHBondContact O-CD2 3.43Å; K387-F389 VanDerWaalsContact O-CE2 3.25Å; K387-F389 WeakPolarHBondContact O-CE2 3.34Å; K387-E402 VanDerWaalsContact NZ-CD 3.33Å; K387-E402 IonicContact NZ-OE1 2.87Å; K387-E402 PolarHBondContact NZ-OE1 2.91Å; K387-E402 IonicContact NZ-OE2 3.97Å; K387-E402 PolarHBondContact NZ-OE2 3.15Å
388	Q	81.5	Confident	83.2	Confident	112 Å²	112	80.2 Å²	80.2	52%	0.523	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-91.8	127	179.5	-51.5	-166.5	2.4	0	0	111.2	K381 Q386	K381-Q388 HydrophobicContact CG-CG 4.13Å; Q386-Q388 PolarHBondContact O-N 3.21Å
389	F	82.3	Confident	83.6	Confident	48 Å²	48	79 Å²	79	21%	0.211	39%	0.392	C	S	.	.			trans	-106.8	149.9	179.2	-64.8	-86.4	0	0	0	112.2	L380 C382 K387 S391 L395 H398	L380-F389 WeakPolarHBondContact CB-O 3.19Å; L380-F389 PolarHBondContact O-N 3.25Å; C382-F389 HydrophobicContact CB-CE2 4.11Å; K387-F389 HydrophobicContact CB-CE2 3.58Å; K387-F389 HydrophobicContact CB-CZ 3.75Å; K387-F389 HydrophobicContact CD-CZ 4.33Å; K387-F389 WeakPolarHBondContact O-CD2 3.43Å; K387-F389 VanDerWaalsContact O-CE2 3.25Å; K387-F389 WeakPolarHBondContact O-CE2 3.34Å; F389-S391 VanDerWaalsContact C-N 3.34Å; F389-L395 HydrophobicContact CB-CB 3.93Å; F389-L395 HydrophobicContact CD2-CB 3.92Å; F389-L395 HydrophobicContact CD2-CD1 3.84Å; F389-L395 HydrophobicContact CD2-CG 4.45Å; F389-L395 HydrophobicContact CE2-CD1 4.15Å; F389-L395 HydrophobicContact CG-CB 3.99Å; F389-H398 HydrophobicContact CD1-CB 4.36Å; F389-H398 HydrophobicContact CE1-CB 3.54Å; F389-H398 AromaticContact CE1-CG 3.81Å; F389-H398 HydrophobicContact CE2-CB 4.11Å; F389-H398 AromaticContact CE2-CD2 3.31Å; F389-H398 WeakPolarHBondContact CE2-CD2 3.33Å; F389-H398 AromaticContact CE2-CG 3.68Å; F389-H398 AromaticContact CE2-NE2 3.89Å; F389-H398 HydrophobicContact CZ-CB 3.41Å; F389-H398 VanDerWaalsContact CZ-CB 3.41Å; F389-H398 AromaticContact CZ-CD2 3.29Å; F389-H398 WeakPolarHBondContact CZ-CD2 3.47Å; F389-H398 AromaticContact CZ-CG 3.12Å; F389-H398 AromaticContact CZ-ND1 3.66Å; F389-H398 AromaticContact CZ-NE2 3.9Å
390	R	79.6	Confident	83.7	Confident	243 Å²	243	82.1 Å²	82.1	92%	0.917	40%	0.398	S	S	*	.	S	Bend	trans	-84	-6	179.6	-59.9	-65.7	169.1	117.4	-5.2	113.7
391	S	80.6	Confident	83.5	Confident	58 Å²	58	84.9 Å²	84.9	41%	0.406	43%	0.425	S	S	.	.	S	Bend	trans	-154.8	156.4	175.9	73.8	0	0	0	0	111.8	L380 F389 A393 G394 L395	L380-S391 VanDerWaalsContact CD2-C 3.41Å; F389-S391 VanDerWaalsContact C-N 3.34Å; S391-A393 VanDerWaalsContact C-N 3.26Å; S391-A393 PolarHBondContact O-N 2.96Å; S391-G394 PolarHBondContact O-N 2.93Å; S391-G394 VanDerWaalsContact O-N 3.1Å; S391-G394 PolarHBondContact OG-N 3.24Å; S391-L395 PolarHBondContact O-N 3.09Å
392	K	84.2	Confident	83	Confident	130 Å²	130	87.5 Å²	87.5	57%	0.565	44%	0.438	S	S	*	.	H	α-helix	trans	-67.5	-29.8	-179.9	-166.6	59.3	169.7	-178.8	0	112.1	A379 L380 L395 N396	A379-K392 PolarHBondContact O-NZ 3.41Å; L380-K392 HydrophobicContact CD2-CB 3.75Å; L380-K392 HydrophobicContact CD2-CD 3.8Å; L380-K392 HydrophobicContact CD2-CG 4.4Å; K392-L395 HydrophobicContact CD-CD2 4.07Å; K392-N396 VanDerWaalsContact O-CB 3.25Å; K392-N396 WeakPolarHBondContact O-CB 3.47Å; K392-N396 PolarHBondContact O-N 3.33Å
393	A	83.8	Confident	82.6	Confident	57 Å²	57	89.2 Å²	89.2	47%	0.471	45%	0.446	S	S	.	.	H	α-helix	trans	-64.1	-45.6	169.3	0	0	0	0	0	111.5	S391 L395 N396 Y397	S391-A393 VanDerWaalsContact C-N 3.26Å; S391-A393 PolarHBondContact O-N 2.96Å; A393-L395 PolarHBondContact O-N 3.42Å; A393-N396 PolarHBondContact O-N 3.12Å; A393-N396 VanDerWaalsContact O-N 3.15Å; A393-Y397 HydrophobicContact CB-CD2 4.46Å; A393-Y397 HydrophobicContact CB-CE2 4.4Å; A393-Y397 WeakPolarHBondContact O-CD2 3.45Å; A393-Y397 PolarHBondContact O-N 2.8Å
394	G	85.9	Confident	81.5	Confident	25 Å²	25	84.9 Å²	84.9	26%	0.258	43%	0.434	S	S	.	.	H	α-helix	trans	-59.5	-45.4	176.8	0	0	0	0	0	112.8	S391 H398	S391-G394 PolarHBondContact O-N 2.93Å; S391-G394 VanDerWaalsContact O-N 3.1Å; S391-G394 PolarHBondContact OG-N 3.24Å; G394-H398 WeakPolarHBondContact O-CB 3.13Å; G394-H398 PolarHBondContact O-N 2.74Å
395	L	87.9	Confident	80.4	Confident	10 Å²	10	84.6 Å²	84.6	5%	0.052	44%	0.441	C	S	.	.	H	α-helix	trans	-59	-48.9	171.4	169.5	56.8	0	0	0	111.3	K381 C382 F389 S391 K392 A393 Y397 H398 T399	K381-L395 WeakPolarHBondContact O-CD2 3.31Å; C382-L395 HydrophobicContact CB-CD1 3.81Å; F389-L395 HydrophobicContact CB-CB 3.93Å; F389-L395 HydrophobicContact CD2-CB 3.92Å; F389-L395 HydrophobicContact CD2-CD1 3.84Å; F389-L395 HydrophobicContact CD2-CG 4.45Å; F389-L395 HydrophobicContact CE2-CD1 4.15Å; F389-L395 HydrophobicContact CG-CB 3.99Å; S391-L395 PolarHBondContact O-N 3.09Å; K392-L395 HydrophobicContact CD-CD2 4.07Å; A393-L395 PolarHBondContact O-N 3.42Å; L395-Y397 PolarHBondContact O-N 2.85Å; L395-H398 PolarHBondContact O-N 3.35Å; L395-T399 PolarHBondContact O-N 2.82Å; L395-T399 PolarHBondContact O-OG1 3.35Å
396	N	85.8	Confident	78.8	Confident	87 Å²	87	91.1 Å²	91.1	47%	0.465	46%	0.464	S	S	.	.	H	α-helix	trans	-62.2	-43.7	-178.1	-177.4	-105.2	0	0	0	112.4	K392 A393 H398 T399 M400	K392-N396 VanDerWaalsContact O-CB 3.25Å; K392-N396 WeakPolarHBondContact O-CB 3.47Å; K392-N396 PolarHBondContact O-N 3.33Å; A393-N396 PolarHBondContact O-N 3.12Å; A393-N396 VanDerWaalsContact O-N 3.15Å; N396-H398 PolarHBondContact O-N 3.41Å; N396-T399 PolarHBondContact O-N 2.89Å; N396-M400 WeakPolarHBondContact O-CB 2.83Å; N396-M400 WeakPolarHBondContact O-CG 3.3Å; N396-M400 PolarHBondContact O-N 3.2Å
397	Y	89.3	Confident	77.3	Confident	166 Å²	166	93 Å²	93	65%	0.651	49%	0.485	S	S	*	.	H	α-helix	trans	-61.4	-42.2	173.9	-79.2	-61.6	0	0	0	112.4	A393 L395 M400 A401	A393-Y397 HydrophobicContact CB-CD2 4.46Å; A393-Y397 HydrophobicContact CB-CE2 4.4Å; A393-Y397 WeakPolarHBondContact O-CD2 3.45Å; A393-Y397 PolarHBondContact O-N 2.8Å; L395-Y397 PolarHBondContact O-N 2.85Å; Y397-M400 CarbonylContact O-C 3.54Å; Y397-M400 PolarHBondContact O-N 2.88Å; Y397-A401 VanDerWaalsContact O-CB 3.3Å; Y397-A401 WeakPolarHBondContact O-CB 3.5Å; Y397-A401 PolarHBondContact O-N 3.44Å
398	H	87.9	Confident	75.7	Confident	11 Å²	11	93 Å²	93	5%	0.051	50%	0.497	C	S	.	.	H	α-helix	trans	-63.4	-43.9	173.7	155.4	75.9	0	0	0	111.7	C382 C385 F389 G394 L395 N396 M400 A401 E402 H403	C382-H398 VanDerWaalsContact CB-NE2 3.27Å; C382-H398 WeakPolarHBondContact CB-NE2 3.43Å; C382-H398 PolarHBondContact SG-NE2 3.22Å; C385-H398 PolarHBondContact SG-CE1 2.83Å; C385-H398 PolarHBondContact SG-NE2 2.71Å; F389-H398 HydrophobicContact CD1-CB 4.36Å; F389-H398 HydrophobicContact CE1-CB 3.54Å; F389-H398 AromaticContact CE1-CG 3.81Å; F389-H398 HydrophobicContact CE2-CB 4.11Å; F389-H398 AromaticContact CE2-CD2 3.31Å; F389-H398 WeakPolarHBondContact CE2-CD2 3.33Å; F389-H398 AromaticContact CE2-CG 3.68Å; F389-H398 AromaticContact CE2-NE2 3.89Å; F389-H398 HydrophobicContact CZ-CB 3.41Å; F389-H398 VanDerWaalsContact CZ-CB 3.41Å; F389-H398 AromaticContact CZ-CD2 3.29Å; F389-H398 WeakPolarHBondContact CZ-CD2 3.47Å; F389-H398 AromaticContact CZ-CG 3.12Å; F389-H398 AromaticContact CZ-ND1 3.66Å; F389-H398 AromaticContact CZ-NE2 3.9Å; G394-H398 WeakPolarHBondContact O-CB 3.13Å; G394-H398 PolarHBondContact O-N 2.74Å; L395-H398 PolarHBondContact O-N 3.35Å; N396-H398 PolarHBondContact O-N 3.41Å; H398-M400 PolarHBondContact O-N 2.79Å; H398-A401 PolarHBondContact O-N 2.87Å; H398-A401 VanDerWaalsContact O-N 3.17Å; H398-E402 IonicContact CE1-OE1 3.23Å; H398-E402 PolarHBondContact CE1-OE1 3.17Å; H398-E402 IonicContact CE1-OE2 3.36Å; H398-E402 PolarHBondContact CE1-OE2 3.41Å; H398-E402 VanDerWaalsContact CE1-OE2 3.28Å; H398-E402 IonicContact CG-OE1 2.64Å; H398-E402 IonicContact ND1-OE1 2.65Å; H398-E402 PolarHBondContact ND1-OE1 2.95Å; H398-E402 IonicContact ND1-OE2 2.75Å; H398-E402 PolarHBondContact O-N 2.97Å; H398-H403 AromaticContact CE1-CD2 3.63Å; H398-H403 AromaticContact CE1-NE2 3.5Å; H398-H403 PolarHBondContact CE1-NE2 3.37Å; H398-H403 AromaticContact NE2-CD2 3.4Å; H398-H403 PolarHBondContact NE2-CD2 2.85Å; H398-H403 AromaticContact NE2-NE2 3.44Å; H398-H403 PolarHBondContact NE2-NE2 3.3Å
399	T	87.1	Confident	73.9	Confident	42 Å²	42	91.9 Å²	91.9	26%	0.258	52%	0.515	S	S	.	.	H	α-helix	trans	-61.5	-33.9	173.3	-53.3	0	0	0	0	111.7	L395 N396 H403 S404	L395-T399 PolarHBondContact O-N 2.82Å; L395-T399 PolarHBondContact O-OG1 3.35Å; N396-T399 PolarHBondContact O-N 2.89Å; T399-H403 HydrophobicContact CG2-CB 4.24Å; T399-H403 CarbonylContact O-C 3.18Å; T399-H403 WeakPolarHBondContact O-CA 3.14Å; T399-H403 WeakPolarHBondContact O-CB 3.39Å; T399-H403 PolarHBondContact O-N 2.91Å; T399-S404 WeakPolarHBondContact O-CB 3.17Å; T399-S404 PolarHBondContact O-N 3.38Å; T399-S404 VanDerWaalsContact O-N 3.07Å; T399-S404 PolarHBondContact O-OG 3.17Å
400	M	82.4	Confident	71.7	Confident	119 Å²	119	94.2 Å²	94.2	59%	0.586	54%	0.538	S	S	*	.	H	α-helix	trans	-74.4	-29.5	174.7	-72.7	-173.3	73.1	0	0	114.1	N396 Y397 H398 S404	N396-M400 WeakPolarHBondContact O-CB 2.83Å; N396-M400 WeakPolarHBondContact O-CG 3.3Å; N396-M400 PolarHBondContact O-N 3.2Å; Y397-M400 CarbonylContact O-C 3.54Å; Y397-M400 PolarHBondContact O-N 2.88Å; H398-M400 PolarHBondContact O-N 2.79Å; M400-S404 WeakPolarHBondContact CA-OG 3.43Å
401	A	80.3	Confident	70	Confident	87 Å²	87	92.4 Å²	92.4	72%	0.719	54%	0.54	S	S	*	.	H	α-helix	trans	-91	-38.3	-177.2	0	0	0	0	0	113.9	Y397 H398	Y397-A401 VanDerWaalsContact O-CB 3.3Å; Y397-A401 WeakPolarHBondContact O-CB 3.5Å; Y397-A401 PolarHBondContact O-N 3.44Å; H398-A401 PolarHBondContact O-N 2.87Å; H398-A401 VanDerWaalsContact O-N 3.17Å
402	E	77	Confident	68.5	Low	105 Å²	105	93.5 Å²	93.5	49%	0.491	56%	0.56	S	S	.	*	H	α-helix	trans	-106.8	-16.9	-174.6	-65.4	-179.7	-129.6	0	0	113.6	K387 H398	K387-E402 VanDerWaalsContact NZ-CD 3.33Å; K387-E402 IonicContact NZ-OE1 2.87Å; K387-E402 PolarHBondContact NZ-OE1 2.91Å; K387-E402 IonicContact NZ-OE2 3.97Å; K387-E402 PolarHBondContact NZ-OE2 3.15Å; H398-E402 IonicContact CE1-OE1 3.23Å; H398-E402 PolarHBondContact CE1-OE1 3.17Å; H398-E402 IonicContact CE1-OE2 3.36Å; H398-E402 PolarHBondContact CE1-OE2 3.41Å; H398-E402 VanDerWaalsContact CE1-OE2 3.28Å; H398-E402 IonicContact CG-OE1 2.64Å; H398-E402 IonicContact ND1-OE1 2.65Å; H398-E402 PolarHBondContact ND1-OE1 2.95Å; H398-E402 IonicContact ND1-OE2 2.75Å; H398-E402 PolarHBondContact O-N 2.97Å
403	H	77.4	Confident	66.8	Low	38 Å²	38	95.3 Å²	95.3	18%	0.176	57%	0.571	C	S	.	*	S	Bend	trans	-140	12.1	-165.1	-62.9	-58.2	0	0	0	116.3	C382 Q384 C385 H398 T399	C382-H403 VanDerWaalsContact SG-CD2 3.52Å; Q384-H403 PolarHBondContact OE1-ND1 2.91Å; C385-H403 PolarHBondContact SG-NE2 3.3Å; H398-H403 AromaticContact CE1-CD2 3.63Å; H398-H403 AromaticContact CE1-NE2 3.5Å; H398-H403 PolarHBondContact CE1-NE2 3.37Å; H398-H403 AromaticContact NE2-CD2 3.4Å; H398-H403 PolarHBondContact NE2-CD2 2.85Å; H398-H403 AromaticContact NE2-NE2 3.44Å; H398-H403 PolarHBondContact NE2-NE2 3.3Å; T399-H403 HydrophobicContact CG2-CB 4.24Å; T399-H403 CarbonylContact O-C 3.18Å; T399-H403 WeakPolarHBondContact O-CA 3.14Å; T399-H403 WeakPolarHBondContact O-CB 3.39Å; T399-H403 PolarHBondContact O-N 2.91Å
404	S	59.3	Low	65	Low	72 Å²	72	97.3 Å²	97.3	50%	0.503	58%	0.577	S	S	.	*			trans	-106.8	18.9	-174.7	-71.5	0	0	0	0	116	T399 M400 K406	T399-S404 WeakPolarHBondContact O-CB 3.17Å; T399-S404 PolarHBondContact O-N 3.38Å; T399-S404 VanDerWaalsContact O-N 3.07Å; T399-S404 PolarHBondContact O-OG 3.17Å; M400-S404 WeakPolarHBondContact CA-OG 3.43Å; S404-K406 PolarHBondContact O-N 3.33Å
405	T	53.1	Low	63.1	Low	123 Å²	123	98.7 Å²	98.7	76%	0.755	59%	0.591	S	S	*	*	S	Bend	trans	-71.1	117	155.8	45.3	0	0	0	0	108.6
406	K	49.9	Very low	61.4	Low	184 Å²	184	103.6 Å²	103.6	80%	0.8	62%	0.618	S	S	*	*			trans	-48.8	130.9	-170.9	-70.9	175.8	175.6	176.2	0	113.4	S404 S408	S404-K406 PolarHBondContact O-N 3.33Å; K406-S408 VanDerWaalsContact C-N 3.34Å; K406-S408 PolarHBondContact O-N 2.84Å; K406-S408 VanDerWaalsContact O-N 3.07Å
407	P	47	Very low	60.4	Low	141 Å²	141	106 Å²	106	92%	0.916	63%	0.626	S	S	*	*			trans	-75.1	90.5	155.1	31.5	-30.8	0	0	0	108.6
408	S	47.9	Very low	59.2	Low	96 Å²	96	102.6 Å²	102.6	67%	0.671	62%	0.616	S	S	*	*			trans	-140.1	118.8	171.9	-163.3	0	0	0	0	106.7	K406 S410	K406-S408 VanDerWaalsContact C-N 3.34Å; K406-S408 PolarHBondContact O-N 2.84Å; K406-S408 VanDerWaalsContact O-N 3.07Å; S408-S410 PolarHBondContact O-N 3.2Å
409	G	43.7	Very low	58.6	Low	87 Å²	87	107.9 Å²	107.9	90%	0.897	64%	0.641	S	S	*	*	S	Bend	trans	-68.5	118	-153.7	0	0	0	0	0	115.5
410	S	34.8	Very low	58	Low	98 Å²	98	110.1 Å²	110.1	69%	0.685	65%	0.648	S	S	*	*			trans	-159.8	117.2	152	54	0	0	0	0	107.5	S408	S408-S410 PolarHBondContact O-N 3.2Å
411	E	45.9	Very low	57.9	Low	205 Å²	205	109.4 Å²	109.4	96%	0.958	64%	0.639	S	S	*	*			trans	-84.5	150.9	-177.6	-59.3	-172.9	135.6	0	0	111.2
412	G	48.7	Very low	57.9	Low	81 Å²	81	109.2 Å²	109.2	84%	0.835	62%	0.623	S	S	*	*	S	Bend	trans	120.9	-27.4	160.3	0	0	0	0	0	119.1
413	Q	47.7	Very low	58.2	Low	168 Å²	168	112 Å²	112	79%	0.785	63%	0.629	S	S	*	*	S	Bend	trans	-122.4	-26.7	-170.3	-83.5	179.2	-14.7	0	0	117.6	G415 N416	Q413-G415 VanDerWaalsContact C-N 3.29Å; Q413-G415 PolarHBondContact O-N 3.32Å; Q413-N416 PolarHBondContact O-N 3.04Å
414	T	45.3	Very low	58.5	Low	99 Å²	99	111.2 Å²	111.2	61%	0.607	63%	0.626	S	S	*	*	H	α-helix	trans	-71.3	-16.9	-170.1	51.8	0	0	0	0	115.4
415	G	47.4	Very low	59.6	Low	54 Å²	54	113.3 Å²	113.3	56%	0.557	62%	0.623	S	S	*	*	H	α-helix	trans	-66.3	-41.5	175.7	0	0	0	0	0	112.8	Q413 H418 E419	Q413-G415 VanDerWaalsContact C-N 3.29Å; Q413-G415 PolarHBondContact O-N 3.32Å; G415-H418 PolarHBondContact O-N 2.9Å; G415-E419 PolarHBondContact O-N 2.96Å
416	N	51.5	Low	61.1	Low	113 Å²	113	114.1 Å²	114.1	60%	0.604	61%	0.612	S	S	*	*	H	α-helix	trans	-67.9	-45.3	-175.9	-162.9	-11.7	0	0	0	111.1	Q413 H418 E419 E420	Q413-N416 PolarHBondContact O-N 3.04Å; N416-H418 PolarHBondContact O-N 2.8Å; N416-E419 PolarHBondContact O-N 2.92Å; N416-E419 VanDerWaalsContact O-N 3.16Å; N416-E420 WeakPolarHBondContact O-CB 3.43Å; N416-E420 WeakPolarHBondContact O-CG 3.49Å; N416-E420 PolarHBondContact O-N 2.91Å
417	E	65.1	Low	62.7	Low	137 Å²	137	107.8 Å²	107.8	64%	0.64	59%	0.589	S	S	*	*	H	α-helix	trans	-57.5	-33.7	174.3	-68.4	-168.7	104.1	0	0	113.4	R421	E417-R421 WeakPolarHBondContact O-CB 3.47Å; E417-R421 PolarHBondContact O-N 3.29Å
418	H	64.5	Low	64.5	Low	94 Å²	94	103 Å²	103	44%	0.435	56%	0.555	S	S	.	*	H	α-helix	trans	-72.8	-46.2	176.3	-168.6	-87.5	0	0	0	111.4	G415 N416 R421 E422	G415-H418 PolarHBondContact O-N 2.9Å; N416-H418 PolarHBondContact O-N 2.8Å; H418-R421 WeakPolarHBondContact O-CB 3.46Å; H418-R421 PolarHBondContact O-N 3.11Å; H418-E422 IonicContact CE1-OE1 2.83Å; H418-E422 IonicContact CE1-OE2 3.83Å; H418-E422 VanDerWaalsContact O-CG 3.25Å; H418-E422 WeakPolarHBondContact O-CG 3.06Å; H418-E422 PolarHBondContact O-N 2.92Å
419	E	74.1	Confident	66.2	Low	123 Å²	123	107.7 Å²	107.7	58%	0.575	56%	0.564	S	S	*	*	H	α-helix	trans	-64.4	-41.3	177.1	-177.5	165	-165.2	0	0	112.2	G415 N416 R421 E422 R423	G415-E419 PolarHBondContact O-N 2.96Å; N416-E419 PolarHBondContact O-N 2.92Å; N416-E419 VanDerWaalsContact O-N 3.16Å; E419-R421 VanDerWaalsContact C-N 3.34Å; E419-R421 PolarHBondContact O-N 3.14Å; E419-E422 CarbonylContact O-C 3.55Å; E419-E422 PolarHBondContact O-N 3.3Å; E419-E422 VanDerWaalsContact O-N 3.12Å; E419-R423 WeakPolarHBondContact O-CB 3.15Å; E419-R423 PolarHBondContact O-N 2.86Å
420	E	74.8	Confident	67.7	Low	88 Å²	88	111.3 Å²	111.3	41%	0.411	56%	0.557	S	S	.	*	H	α-helix	trans	-56.1	-47.6	169.8	-78.6	-128.9	119	0	0	111.2	N416 E422 R423 L424	N416-E420 WeakPolarHBondContact O-CB 3.43Å; N416-E420 WeakPolarHBondContact O-CG 3.49Å; N416-E420 PolarHBondContact O-N 2.91Å; E420-E422 PolarHBondContact O-N 3.43Å; E420-R423 WeakPolarHBondContact O-CB 3.29Å; E420-R423 PolarHBondContact O-N 3.03Å; E420-R423 VanDerWaalsContact O-N 3.16Å; E420-L424 WeakPolarHBondContact O-CB 3.3Å; E420-L424 WeakPolarHBondContact O-CG 3.27Å; E420-L424 PolarHBondContact O-N 3.15Å
421	R	79.6	Confident	69.4	Low	105 Å²	105	112.5 Å²	112.5	40%	0.396	55%	0.553	S	S	.	*	H	α-helix	trans	-59.3	-34.1	176.9	178.4	171.6	-76	172.2	-6.1	112.1	E417 H418 E419 R425 L448 Q452	E417-R421 WeakPolarHBondContact O-CB 3.47Å; E417-R421 PolarHBondContact O-N 3.29Å; H418-R421 WeakPolarHBondContact O-CB 3.46Å; H418-R421 PolarHBondContact O-N 3.11Å; E419-R421 VanDerWaalsContact C-N 3.34Å; E419-R421 PolarHBondContact O-N 3.14Å; R421-R425 VanDerWaalsContact O-CG 3.26Å; R421-R425 WeakPolarHBondContact O-CG 3.35Å; R421-R425 PolarHBondContact O-N 3.44Å; R421-R425 VanDerWaalsContact O-N 3.12Å; R421-L448 HydrophobicContact CG-CD2 4.19Å; R421-Q452 VanDerWaalsContact NE-NE2 3.17Å
422	E	80.6	Confident	71.1	Confident	83 Å²	83	105 Å²	105	39%	0.388	53%	0.531	S	S	.	.	H	α-helix	trans	-80.8	-32.5	175.4	-57.7	-128.4	115.3	0	0	113.4	H418 E419 E420 R425 R426	H418-E422 IonicContact CE1-OE1 2.83Å; H418-E422 IonicContact CE1-OE2 3.83Å; H418-E422 VanDerWaalsContact O-CG 3.25Å; H418-E422 WeakPolarHBondContact O-CG 3.06Å; H418-E422 PolarHBondContact O-N 2.92Å; E419-E422 CarbonylContact O-C 3.55Å; E419-E422 PolarHBondContact O-N 3.3Å; E419-E422 VanDerWaalsContact O-N 3.12Å; E420-E422 PolarHBondContact O-N 3.43Å; E422-R425 PolarHBondContact O-N 3.33Å; E422-R425 IonicContact OE1-NH1 2.61Å; E422-R425 PolarHBondContact OE1-NH1 3.28Å; E422-R426 WeakPolarHBondContact O-CG 3.28Å; E422-R426 PolarHBondContact O-N 3.19Å; E422-R426 PolarHBondContact O-NE 3.01Å
423	R	84.6	Confident	72.8	Confident	163 Å²	163	108.6 Å²	108.6	62%	0.615	52%	0.519	S	S	*	.	H	α-helix	trans	-63.1	-44.4	169.9	-176.4	178.5	-179.8	166	-0.2	110.5	E419 E420 R426 V427	E419-R423 WeakPolarHBondContact O-CB 3.15Å; E419-R423 PolarHBondContact O-N 2.86Å; E420-R423 WeakPolarHBondContact O-CB 3.29Å; E420-R423 PolarHBondContact O-N 3.03Å; E420-R423 VanDerWaalsContact O-N 3.16Å; R423-R426 WeakPolarHBondContact O-CB 3.34Å; R423-R426 PolarHBondContact O-N 3.13Å; R423-R426 VanDerWaalsContact O-N 3.17Å; R423-V427 WeakPolarHBondContact O-CG2 3.48Å; R423-V427 PolarHBondContact O-N 3.36Å
424	L	82.8	Confident	74.7	Confident	22 Å²	22	100.8 Å²	100.8	12%	0.115	48%	0.483	C	S	.	.	H	α-helix	trans	-65.7	-37.1	175.2	-67.9	165.6	0	0	0	112	E420 L428 I434 L448 Y451	E420-L424 WeakPolarHBondContact O-CB 3.3Å; E420-L424 WeakPolarHBondContact O-CG 3.27Å; E420-L424 PolarHBondContact O-N 3.15Å; L424-L428 VanDerWaalsContact O-CB 3.3Å; L424-L428 WeakPolarHBondContact O-CB 3.43Å; L424-L428 PolarHBondContact O-N 3.11Å; L424-I434 HydrophobicContact CB-CD1 4.18Å; L424-I434 HydrophobicContact CD2-CD1 4.33Å; L424-I434 HydrophobicContact CD2-CG2 3.68Å; L424-L448 HydrophobicContact CB-CD1 3.52Å; L424-L448 HydrophobicContact CD1-CD1 4.19Å; L424-L448 HydrophobicContact CG-CD1 4.49Å; L424-Y451 HydrophobicContact CD1-CD1 4.02Å; L424-Y451 HydrophobicContact CD1-CE1 3.61Å; L424-Y451 HydrophobicContact CD2-CD1 4.37Å; L424-Y451 HydrophobicContact CD2-CE1 3.93Å; L424-Y451 HydrophobicContact CG-CE1 4.44Å
425	R	83.1	Confident	76.6	Confident	115 Å²	115	102.5 Å²	102.5	43%	0.434	48%	0.482	S	S	.	.	H	α-helix	trans	-61.4	-43.8	168.6	-74.2	168	-179.1	161.1	-1.1	112	R421 E422 L428 K429 L448	R421-R425 VanDerWaalsContact O-CG 3.26Å; R421-R425 WeakPolarHBondContact O-CG 3.35Å; R421-R425 PolarHBondContact O-N 3.44Å; R421-R425 VanDerWaalsContact O-N 3.12Å; E422-R425 PolarHBondContact O-N 3.33Å; E422-R425 IonicContact OE1-NH1 2.61Å; E422-R425 PolarHBondContact OE1-NH1 3.28Å; R425-L428 PolarHBondContact O-N 2.86Å; R425-K429 WeakPolarHBondContact O-CB 3.36Å; R425-K429 PolarHBondContact O-N 3.41Å; R425-L448 HydrophobicContact CG-CD2 3.82Å
426	R	84.9	Confident	78.4	Confident	141 Å²	141	100.6 Å²	100.6	53%	0.532	46%	0.46	S	S	.	.	H	α-helix	trans	-62	-49.1	176.2	-76	178.1	-81.9	172.4	-6.2	111.3	E422 R423 L428 K429 Q430	E422-R426 WeakPolarHBondContact O-CG 3.28Å; E422-R426 PolarHBondContact O-N 3.19Å; E422-R426 PolarHBondContact O-NE 3.01Å; R423-R426 WeakPolarHBondContact O-CB 3.34Å; R423-R426 PolarHBondContact O-N 3.13Å; R423-R426 VanDerWaalsContact O-N 3.17Å; R426-L428 PolarHBondContact O-N 2.91Å; R426-K429 PolarHBondContact O-N 3.07Å; R426-Q430 WeakPolarHBondContact O-CB 3.48Å; R426-Q430 PolarHBondContact O-N 2.65Å
427	V	82.7	Confident	79.7	Confident	51 Å²	51	99.8 Å²	99.8	31%	0.309	46%	0.46	S	S	.	.	H	α-helix	trans	-59.2	-43.7	175.6	171	0	0	0	0	111.4	R423 K429 Q430 M431 I434	R423-V427 WeakPolarHBondContact O-CG2 3.48Å; R423-V427 PolarHBondContact O-N 3.36Å; V427-K429 VanDerWaalsContact C-N 3.34Å; V427-K429 PolarHBondContact O-N 3.5Å; V427-Q430 PolarHBondContact O-N 3.06Å; V427-M431 HydrophobicContact CG1-CG 4.44Å; V427-M431 WeakPolarHBondContact O-CB 3.48Å; V427-M431 PolarHBondContact O-N 3.28Å; V427-I434 HydrophobicContact CG1-CG1 4.47Å
428	L	84.8	Confident	80.3	Confident	39 Å²	39	96 Å²	96	20%	0.204	45%	0.447	C	S	.	.	H	α-helix	trans	-65	-37.5	177.4	-171	67.1	0	0	0	112.3	L424 R425 R426 G432 I434 L448	L424-L428 VanDerWaalsContact O-CB 3.3Å; L424-L428 WeakPolarHBondContact O-CB 3.43Å; L424-L428 PolarHBondContact O-N 3.11Å; R425-L428 PolarHBondContact O-N 2.86Å; R426-L428 PolarHBondContact O-N 2.91Å; L428-G432 VanDerWaalsContact O-CA 3.25Å; L428-G432 WeakPolarHBondContact O-CA 3.4Å; L428-G432 PolarHBondContact O-N 3.43Å; L428-I434 HydrophobicContact CB-CD1 4.16Å; L428-I434 HydrophobicContact CB-CG1 4.15Å; L428-I434 HydrophobicContact CD1-CD1 4.35Å; L428-I434 HydrophobicContact CD1-CG1 4.15Å; L428-L448 HydrophobicContact CD2-CB 4.44Å
429	K	83.3	Confident	80.8	Confident	196 Å²	196	100.2 Å²	100.2	85%	0.852	47%	0.467	S	S	*	.	H	α-helix	trans	-70.1	-32.4	175.9	-172.7	179.7	178.1	-174	0	113.1	R425 R426 V427	R425-K429 WeakPolarHBondContact O-CB 3.36Å; R425-K429 PolarHBondContact O-N 3.41Å; R426-K429 PolarHBondContact O-N 3.07Å; V427-K429 VanDerWaalsContact C-N 3.34Å; V427-K429 PolarHBondContact O-N 3.5Å
430	Q	76.6	Confident	80.5	Confident	162 Å²	162	98.4 Å²	98.4	76%	0.757	48%	0.481	S	S	*	.	H	α-helix	trans	-90.7	-37.8	-176.1	-172.4	175.2	5.5	0	0	113.3	R426 V427	R426-Q430 WeakPolarHBondContact O-CB 3.48Å; R426-Q430 PolarHBondContact O-N 2.65Å; V427-Q430 PolarHBondContact O-N 3.06Å
431	M	70	Confident	80.7	Confident	123 Å²	123	95.8 Å²	95.8	61%	0.606	47%	0.472	S	S	*	.	H	α-helix	trans	-114.7	-6.1	-171	-53.6	-60.2	-77.3	0	0	113.6	V427 R433	V427-M431 HydrophobicContact CG1-CG 4.44Å; V427-M431 WeakPolarHBondContact O-CB 3.48Å; V427-M431 PolarHBondContact O-N 3.28Å; M431-R433 PolarHBondContact O-N 2.96Å
432	G	81.6	Confident	80.6	Confident	47 Å²	47	95.9 Å²	95.9	49%	0.485	49%	0.489	S	S	.	.	S	Bend	trans	69.4	-12.4	179.7	0	0	0	0	0	116	L428	L428-G432 VanDerWaalsContact O-CA 3.25Å; L428-G432 WeakPolarHBondContact O-CA 3.4Å; L428-G432 PolarHBondContact O-N 3.43Å
433	R	83.3	Confident	80.6	Confident	157 Å²	157	93.2 Å²	93.2	59%	0.592	48%	0.481	S	S	*	.			trans	-147.6	137.5	-177.4	63.1	-163.2	169.4	-162.4	-3.3	111.6	M431 F445	M431-R433 PolarHBondContact O-N 2.96Å; R433-F445 WeakPolarHBondContact CA-O 3.49Å
434	I	87.3	Confident	80.6	Confident	4 Å²	4	90 Å²	90	2%	0.021	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	134.3	170.3	-57.4	165.2	0	0	0	107.9	L424 V427 L428 H444 F445 L448 Y451	L424-I434 HydrophobicContact CB-CD1 4.18Å; L424-I434 HydrophobicContact CD2-CD1 4.33Å; L424-I434 HydrophobicContact CD2-CG2 3.68Å; V427-I434 HydrophobicContact CG1-CG1 4.47Å; L428-I434 HydrophobicContact CB-CD1 4.16Å; L428-I434 HydrophobicContact CB-CG1 4.15Å; L428-I434 HydrophobicContact CD1-CD1 4.35Å; L428-I434 HydrophobicContact CD1-CG1 4.15Å; I434-H444 CarbonylContact O-C 3.19Å; I434-H444 WeakPolarHBondContact O-CA 3.4Å; I434-F445 PolarHBondContact N-O 3.33Å; I434-F445 PolarHBondContact O-N 2.83Å; I434-L448 HydrophobicContact CD1-CD1 4.29Å; I434-Y451 HydrophobicContact CB-CD2 4.12Å; I434-Y451 HydrophobicContact CB-CG 4.38Å; I434-Y451 HydrophobicContact CD1-CG 4.34Å; I434-Y451 HydrophobicContact CG2-CD1 4.33Å; I434-Y451 HydrophobicContact CG2-CD2 3.34Å; I434-Y451 HydrophobicContact CG2-CE1 4.49Å; I434-Y451 HydrophobicContact CG2-CE2 3.51Å; I434-Y451 HydrophobicContact CG2-CG 3.78Å
435	K	85.7	Confident	80.7	Confident	136 Å²	136	91 Å²	91	59%	0.591	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	149.1	171.3	-60.3	-164.9	171.9	-173.5	0	110.5	Y451	K435-Y451 WeakPolarHBondContact O-CE2 3.32Å
436	C	84.9	Confident	80.8	Confident	13 Å²	13	90.5 Å²	90.5	9%	0.088	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-67.9	135.5	163.4	-160.2	0	0	0	0	110.2	T438 C441 A443 H454 C458	C436-T438 PolarHBondContact SG-OG1 3.1Å; C436-C441 HydrophobicContact CB-CB 4.02Å; C436-A443 PolarHBondContact N-O 3.5Å; C436-H454 PolarHBondContact SG-NE2 2.97Å; C436-C458 VanDerWaalsContact SG-SG 3.6Å
437	P	79.4	Confident	80.7	Confident	96 Å²	96	86.3 Å²	86.3	62%	0.623	48%	0.483	S	S	*	.			trans	-91.9	1.7	173.9	36.7	-35.9	0	0	0	113.3	Y451	P437-Y451 WeakPolarHBondContact CD-OH 3.28Å
438	T	77.9	Confident	80.9	Confident	58 Å²	58	85.1 Å²	85.1	36%	0.356	48%	0.475	S	S	.	.	S	Bend	trans	-74.4	126.7	175.7	-48.9	0	0	0	0	110.1	C436 G440 C441 C458	C436-T438 PolarHBondContact SG-OG1 3.1Å; T438-G440 PolarHBondContact O-N 3.37Å; T438-C441 WeakPolarHBondContact O-CB 3.35Å; T438-C441 PolarHBondContact O-N 3.01Å; T438-C458 WeakPolarHBondContact CB-SG 3.32Å; T438-C458 PolarHBondContact OG1-SG 3.33Å; T438-C458 VanDerWaalsContact OG1-SG 3.36Å
439	E	74.3	Confident	80.8	Confident	183 Å²	183	89.7 Å²	89.7	86%	0.855	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	136.7	173.5	-65.4	-56	151	0	0	111.5	C441	E439-C441 VanDerWaalsContact C-N 3.28Å; E439-C441 PolarHBondContact O-N 3.43Å
440	G	68.3	Low	80.8	Confident	85 Å²	85	81.6 Å²	81.6	88%	0.876	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-8.7	-172.1	0	0	0	0	0	115.8	T438	T438-G440 PolarHBondContact O-N 3.37Å
441	C	78.7	Confident	81.2	Confident	32 Å²	32	74.5 Å²	74.5	22%	0.216	44%	0.435	C	S	.	.			trans	-102.9	100.8	-178.4	-162.3	0	0	0	0	114.6	C436 T438 E439 A443 H454 C458	C436-C441 HydrophobicContact CB-CB 4.02Å; T438-C441 WeakPolarHBondContact O-CB 3.35Å; T438-C441 PolarHBondContact O-N 3.01Å; E439-C441 VanDerWaalsContact C-N 3.28Å; E439-C441 PolarHBondContact O-N 3.43Å; C441-A443 PolarHBondContact O-N 3.22Å; C441-H454 PolarHBondContact SG-CE1 3.17Å; C441-H454 PolarHBondContact SG-NE2 2.92Å; C441-C458 VanDerWaalsContact CB-SG 3.51Å
442	S	77.9	Confident	81.8	Confident	107 Å²	107	70 Å²	70	75%	0.748	41%	0.413	S	S	*	.			trans	-77.7	5.9	177.5	60	0	0	0	0	115.3	H444	S442-H444 PolarHBondContact O-CE1 3.06Å; S442-H444 PolarHBondContact O-ND1 3.27Å
443	A	80.8	Confident	81.8	Confident	28 Å²	28	74.3 Å²	74.3	23%	0.231	42%	0.415	C	S	.	.			trans	-67.6	141.5	-170.7	0	0	0	0	0	113.5	C436 C441 F445	C436-A443 PolarHBondContact N-O 3.5Å; C441-A443 PolarHBondContact O-N 3.22Å; A443-F445 HydrophobicContact CB-CE2 3.52Å; A443-F445 HydrophobicContact CB-CZ 3.61Å
444	H	84.3	Confident	81.8	Confident	96 Å²	96	68.6 Å²	68.6	44%	0.444	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.5	-175.9	-68.1	4.4	0	0	0	111	I434 S442	I434-H444 CarbonylContact O-C 3.19Å; I434-H444 WeakPolarHBondContact O-CA 3.4Å; S442-H444 PolarHBondContact O-CE1 3.06Å; S442-H444 PolarHBondContact O-ND1 3.27Å
445	F	85.4	Confident	81.7	Confident	42 Å²	42	72.6 Å²	72.6	18%	0.184	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.3	-169.4	-60.1	-82.6	0	0	0	112.5	R433 I434 A443 S447 Y451 H454	R433-F445 WeakPolarHBondContact CA-O 3.49Å; I434-F445 PolarHBondContact N-O 3.33Å; I434-F445 PolarHBondContact O-N 2.83Å; A443-F445 HydrophobicContact CB-CE2 3.52Å; A443-F445 HydrophobicContact CB-CZ 3.61Å; F445-S447 PolarHBondContact O-N 3.22Å; F445-Y451 HydrophobicContact CD2-CD2 4.01Å; F445-H454 HydrophobicContact CE1-CB 3.8Å; F445-H454 HydrophobicContact CE2-CB 3.89Å; F445-H454 AromaticContact CE2-CD2 3.3Å; F445-H454 WeakPolarHBondContact CE2-CD2 3.42Å; F445-H454 AromaticContact CE2-CG 3.56Å; F445-H454 AromaticContact CE2-NE2 3.89Å; F445-H454 HydrophobicContact CZ-CB 3.36Å; F445-H454 AromaticContact CZ-CD2 3.47Å; F445-H454 VanDerWaalsContact CZ-CD2 3.47Å; F445-H454 WeakPolarHBondContact CZ-CD2 3.47Å; F445-H454 AromaticContact CZ-CG 3.19Å; F445-H454 AromaticContact CZ-ND1 3.66Å
446	S	83.8	Confident	81.3	Confident	104 Å²	104	73.2 Å²	73.2	73%	0.727	42%	0.419	S	S	*	.	S	Bend	trans	-80.6	9.3	170	53.3	0	0	0	0	113.6
447	S	84.8	Confident	80.8	Confident	53 Å²	53	80.3 Å²	80.3	37%	0.371	44%	0.444	S	S	.	.	S	Bend	trans	-144.8	131.1	177.9	175	0	0	0	0	111.2	F445 M449 G450 Y451	F445-S447 PolarHBondContact O-N 3.22Å; S447-M449 PolarHBondContact O-N 3.44Å; S447-M449 PolarHBondContact OG-N 2.94Å; S447-G450 PolarHBondContact O-N 3.47Å; S447-G450 VanDerWaalsContact O-N 3.12Å; S447-Y451 PolarHBondContact O-N 2.74Å
448	L	85.4	Confident	80.5	Confident	27 Å²	27	77 Å²	77	14%	0.141	42%	0.423	C	S	.	.	H	α-helix	trans	-55	-36.1	172.7	-179.6	71.1	0	0	0	112.5	R421 L424 R425 L428 I434 Q452	R421-L448 HydrophobicContact CG-CD2 4.19Å; L424-L448 HydrophobicContact CB-CD1 3.52Å; L424-L448 HydrophobicContact CD1-CD1 4.19Å; L424-L448 HydrophobicContact CG-CD1 4.49Å; R425-L448 HydrophobicContact CG-CD2 3.82Å; L428-L448 HydrophobicContact CD2-CB 4.44Å; I434-L448 HydrophobicContact CD1-CD1 4.29Å; L448-Q452 WeakPolarHBondContact O-CB 3.29Å; L448-Q452 WeakPolarHBondContact O-CG 3.34Å; L448-Q452 PolarHBondContact O-N 3.23Å
449	M	82.8	Confident	79.9	Confident	135 Å²	135	77.5 Å²	77.5	67%	0.665	44%	0.439	S	S	*	.	H	α-helix	trans	-72.9	-36.8	179.3	-167.3	63.8	66.2	0	0	111.4	S447 Y453	S447-M449 PolarHBondContact O-N 3.44Å; S447-M449 PolarHBondContact OG-N 2.94Å; M449-Y453 WeakPolarHBondContact O-CB 3.37Å; M449-Y453 PolarHBondContact O-N 3.17Å
450	G	83.4	Confident	79.1	Confident	26 Å²	26	76.5 Å²	76.5	27%	0.268	43%	0.427	S	S	.	.	H	α-helix	trans	-65.7	-43.8	172.9	0	0	0	0	0	111.7	S447 Y453 H454	S447-G450 PolarHBondContact O-N 3.47Å; S447-G450 VanDerWaalsContact O-N 3.12Å; G450-Y453 PolarHBondContact O-N 3.41Å; G450-H454 WeakPolarHBondContact O-CB 3.33Å; G450-H454 PolarHBondContact O-N 3.03Å
451	Y	84.8	Confident	77.9	Confident	12 Å²	12	81.1 Å²	81.1	5%	0.047	43%	0.426	C	S	.	.	H	α-helix	trans	-58.4	-49.7	172.9	176.3	-97.7	0	0	0	111.9	L424 I434 K435 P437 F445 S447 Y453 H454 Q455	L424-Y451 HydrophobicContact CD1-CD1 4.02Å; L424-Y451 HydrophobicContact CD1-CE1 3.61Å; L424-Y451 HydrophobicContact CD2-CD1 4.37Å; L424-Y451 HydrophobicContact CD2-CE1 3.93Å; L424-Y451 HydrophobicContact CG-CE1 4.44Å; I434-Y451 HydrophobicContact CB-CD2 4.12Å; I434-Y451 HydrophobicContact CB-CG 4.38Å; I434-Y451 HydrophobicContact CD1-CG 4.34Å; I434-Y451 HydrophobicContact CG2-CD1 4.33Å; I434-Y451 HydrophobicContact CG2-CD2 3.34Å; I434-Y451 HydrophobicContact CG2-CE1 4.49Å; I434-Y451 HydrophobicContact CG2-CE2 3.51Å; I434-Y451 HydrophobicContact CG2-CG 3.78Å; K435-Y451 WeakPolarHBondContact O-CE2 3.32Å; P437-Y451 WeakPolarHBondContact CD-OH 3.28Å; F445-Y451 HydrophobicContact CD2-CD2 4.01Å; S447-Y451 PolarHBondContact O-N 2.74Å; Y451-Y453 PolarHBondContact O-N 2.96Å; Y451-H454 PolarHBondContact O-N 3.23Å; Y451-Q455 HydrophobicContact CE1-CB 4.49Å; Y451-Q455 VanDerWaalsContact CE1-OE1 3.28Å; Y451-Q455 WeakPolarHBondContact O-CB 3.46Å; Y451-Q455 PolarHBondContact O-N 3.35Å
452	Q	82.9	Confident	76	Confident	29 Å²	29	87 Å²	87	14%	0.136	45%	0.449	C	S	.	.	H	α-helix	trans	-63.9	-40	-179.9	-76.4	169.3	1.1	0	0	112.8	R421 L448 H454 Q455 Q456	R421-Q452 VanDerWaalsContact NE-NE2 3.17Å; L448-Q452 WeakPolarHBondContact O-CB 3.29Å; L448-Q452 WeakPolarHBondContact O-CG 3.34Å; L448-Q452 PolarHBondContact O-N 3.23Å; Q452-H454 VanDerWaalsContact C-N 3.31Å; Q452-H454 PolarHBondContact O-N 2.75Å; Q452-Q455 PolarHBondContact O-N 3.27Å; Q452-Q456 WeakPolarHBondContact O-CG 3.37Å; Q452-Q456 PolarHBondContact O-N 3.45Å
453	Y	82.8	Confident	74.4	Confident	137 Å²	137	86.2 Å²	86.2	54%	0.537	44%	0.443	S	S	.	.	H	α-helix	trans	-64	-37.5	174.5	-178.2	-96.6	0	0	0	112.4	M449 G450 Y451 R457	M449-Y453 WeakPolarHBondContact O-CB 3.37Å; M449-Y453 PolarHBondContact O-N 3.17Å; G450-Y453 PolarHBondContact O-N 3.41Å; Y451-Y453 PolarHBondContact O-N 2.96Å; Y453-R457 PolarHBondContact OH-NH1 3.35Å; Y453-R457 PolarHBondContact OH-NH2 2.77Å
454	H	82.4	Confident	73	Confident	38 Å²	38	89.9 Å²	89.9	18%	0.176	46%	0.459	C	S	.	.	H	α-helix	trans	-71.5	-44.3	175.4	171.9	75.5	0	0	0	112.4	C436 C441 F445 G450 Y451 Q452 Q456 R457 C458	C436-H454 PolarHBondContact SG-NE2 2.97Å; C441-H454 PolarHBondContact SG-CE1 3.17Å; C441-H454 PolarHBondContact SG-NE2 2.92Å; F445-H454 HydrophobicContact CE1-CB 3.8Å; F445-H454 HydrophobicContact CE2-CB 3.89Å; F445-H454 AromaticContact CE2-CD2 3.3Å; F445-H454 WeakPolarHBondContact CE2-CD2 3.42Å; F445-H454 AromaticContact CE2-CG 3.56Å; F445-H454 AromaticContact CE2-NE2 3.89Å; F445-H454 HydrophobicContact CZ-CB 3.36Å; F445-H454 AromaticContact CZ-CD2 3.47Å; F445-H454 VanDerWaalsContact CZ-CD2 3.47Å; F445-H454 WeakPolarHBondContact CZ-CD2 3.47Å; F445-H454 AromaticContact CZ-CG 3.19Å; F445-H454 AromaticContact CZ-ND1 3.66Å; G450-H454 WeakPolarHBondContact O-CB 3.33Å; G450-H454 PolarHBondContact O-N 3.03Å; Y451-H454 PolarHBondContact O-N 3.23Å; Q452-H454 VanDerWaalsContact C-N 3.31Å; Q452-H454 PolarHBondContact O-N 2.75Å; H454-Q456 PolarHBondContact O-N 3.12Å; H454-R457 CarbonylContact O-C 3.43Å; H454-R457 PolarHBondContact O-N 2.61Å; H454-C458 WeakPolarHBondContact O-CB 3.4Å; H454-C458 PolarHBondContact O-N 3.14Å
455	Q	84	Confident	71.3	Confident	88 Å²	88	92.8 Å²	92.8	41%	0.411	48%	0.477	S	S	.	.	H	α-helix	trans	-55.8	-33.2	177.3	-172.6	-178.6	8.9	0	0	112.1	Y451 Q452 R457	Y451-Q455 HydrophobicContact CE1-CB 4.49Å; Y451-Q455 VanDerWaalsContact CE1-OE1 3.28Å; Y451-Q455 WeakPolarHBondContact O-CB 3.46Å; Y451-Q455 PolarHBondContact O-N 3.35Å; Q452-Q455 PolarHBondContact O-N 3.27Å; Q455-R457 PolarHBondContact O-N 3.15Å
456	Q	79.4	Confident	70.1	Confident	148 Å²	148	99 Å²	99	69%	0.692	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-4.4	175.7	-70.4	-178.8	-5	0	0	115	Q452 H454	Q452-Q456 WeakPolarHBondContact O-CG 3.37Å; Q452-Q456 PolarHBondContact O-N 3.45Å; H454-Q456 PolarHBondContact O-N 3.12Å
457	R	72.8	Confident	68.7	Low	162 Å²	162	99.2 Å²	99.2	61%	0.611	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.3	-22.1	-178.2	-66.5	-173.5	174.7	-152.2	-1.4	114.6	Y453 H454 Q455 R460	Y453-R457 PolarHBondContact OH-NH1 3.35Å; Y453-R457 PolarHBondContact OH-NH2 2.77Å; H454-R457 CarbonylContact O-C 3.43Å; H454-R457 PolarHBondContact O-N 2.61Å; Q455-R457 PolarHBondContact O-N 3.15Å; R457-R460 PolarHBondContact O-N 3.47Å
458	C	74.3	Confident	67.6	Low	28 Å²	28	101 Å²	101	19%	0.189	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	140.2	174.2	-165.9	0	0	0	0	110.3	C436 T438 C441 H454 R460	C436-C458 VanDerWaalsContact SG-SG 3.6Å; T438-C458 WeakPolarHBondContact CB-SG 3.32Å; T438-C458 PolarHBondContact OG1-SG 3.33Å; T438-C458 VanDerWaalsContact OG1-SG 3.36Å; C441-C458 VanDerWaalsContact CB-SG 3.51Å; H454-C458 WeakPolarHBondContact O-CB 3.4Å; H454-C458 PolarHBondContact O-N 3.14Å; C458-R460 PolarHBondContact O-N 2.8Å
459	G	64.1	Low	67	Low	67 Å²	67	103.7 Å²	103.7	69%	0.691	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	8.2	-177.9	0	0	0	0	0	115.6	E461	G459-E461 PolarHBondContact O-N 3.48Å
460	R	59.2	Low	66.9	Low	162 Å²	162	100.4 Å²	100.4	61%	0.611	51%	0.505	S	S	*	.			trans	-100.4	64.7	173.9	-161.6	-173.6	-65.8	-105	0.9	111.6	R457 C458 F462	R457-R460 PolarHBondContact O-N 3.47Å; C458-R460 PolarHBondContact O-N 2.8Å; R460-F462 VanDerWaalsContact CD-CE2 3.41Å; R460-F462 HydrophobicContact CG-CD2 4.14Å; R460-F462 HydrophobicContact CG-CE2 3.8Å; R460-F462 HydrophobicContact CG-CZ 4.38Å; R460-F462 PolarHBondContact O-N 3.45Å
461	E	41.6	Very low	67	Low	182 Å²	182	103.9 Å²	103.9	85%	0.85	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-58.9	121.4	159.5	-65.3	-59	109.4	0	0	108.1	G459	G459-E461 PolarHBondContact O-N 3.48Å
462	F	39.1	Very low	67.1	Low	157 Å²	157	103.5 Å²	103.5	69%	0.689	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-95.9	125.1	164.5	-80.3	-92	0	0	0	106.9	R460 D464	R460-F462 VanDerWaalsContact CD-CE2 3.41Å; R460-F462 HydrophobicContact CG-CD2 4.14Å; R460-F462 HydrophobicContact CG-CE2 3.8Å; R460-F462 HydrophobicContact CG-CZ 4.38Å; R460-F462 PolarHBondContact O-N 3.45Å; F462-D464 PolarHBondContact O-N 3.26Å
463	S	44.4	Very low	67.1	Low	90 Å²	90	110.3 Å²	110.3	63%	0.629	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-51.9	130.8	161.7	32.9	0	0	0	0	109	D465	S463-D465 PolarHBondContact O-N 3.12Å; S463-D465 VanDerWaalsContact O-N 3.07Å
464	D	50.5	Low	66.9	Low	105 Å²	105	109.6 Å²	109.6	56%	0.561	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-13.9	-160.9	-128.8	-32.6	0	0	0	113.3	F462 R480	F462-D464 PolarHBondContact O-N 3.26Å; D464-R480 PolarHBondContact O-NH2 3.01Å; D464-R480 IonicContact OD1-CZ 3.2Å; D464-R480 IonicContact OD1-NH1 3.14Å; D464-R480 PolarHBondContact OD1-NH1 3.29Å; D464-R480 IonicContact OD1-NH2 2.64Å; D464-R480 PolarHBondContact OD1-NH2 2.91Å
465	D	49.9	Very low	67.1	Low	156 Å²	156	110.4 Å²	110.4	83%	0.834	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-29.8	-173.3	-55	-74.6	0	0	0	115.1	S463 K467	S463-D465 PolarHBondContact O-N 3.12Å; S463-D465 VanDerWaalsContact O-N 3.07Å; D465-K467 VanDerWaalsContact C-N 3.29Å; D465-K467 PolarHBondContact O-N 3.43Å
466	E	58.9	Low	67.1	Low	174 Å²	174	108.5 Å²	108.5	81%	0.813	56%	0.562	S	S	*	*	S	Bend	trans	-93.3	34.2	-175.1	-147.8	-173.3	-172.3	0	0	113.7
467	K	55.6	Low	67.4	Low	107 Å²	107	106.5 Å²	106.5	47%	0.465	55%	0.551	S	S	.	*	S	Bend	trans	-106.6	106.6	-179.2	-161.5	171.7	-164.7	162.3	0	111.2	D465 V469	D465-K467 VanDerWaalsContact C-N 3.29Å; D465-K467 PolarHBondContact O-N 3.43Å; K467-V469 PolarHBondContact O-N 2.91Å; K467-V469 VanDerWaalsContact O-N 3.15Å
468	P	60.7	Low	67.9	Low	90 Å²	90	102.7 Å²	102.7	58%	0.584	55%	0.549	S	S	*	.			trans	-59.5	121.5	-171.7	21.3	-32.7	0	0	0	111.5	F470	P468-F470 HydrophobicContact CB-CE2 4.41Å; P468-F470 HydrophobicContact CB-CZ 4.43Å; P468-F470 HydrophobicContact CG-CE2 4.26Å; P468-F470 HydrophobicContact CG-CZ 4.32Å; P468-F470 WeakPolarHBondContact O-CD2 3.39Å; P468-F470 WeakPolarHBondContact O-CE2 3.36Å
469	V	73.6	Confident	68.5	Low	85 Å²	85	104.1 Å²	104.1	52%	0.515	55%	0.551	S	S	.	*			trans	-84.9	116.9	-177.6	179.8	0	0	0	0	110	K467 L471 S478	K467-V469 PolarHBondContact O-N 2.91Å; K467-V469 VanDerWaalsContact O-N 3.15Å; V469-L471 HydrophobicContact CG1-CD2 3.81Å; V469-L471 PolarHBondContact O-N 3.1Å; V469-S478 VanDerWaalsContact CG1-CB 3.42Å
470	F	80.8	Confident	69.2	Low	66 Å²	66	107.6 Å²	107.6	29%	0.289	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	92.6	-179.6	-63.4	-87.1	0	0	0	109.9	P468 Y479 K482 R485	P468-F470 HydrophobicContact CB-CE2 4.41Å; P468-F470 HydrophobicContact CB-CZ 4.43Å; P468-F470 HydrophobicContact CG-CE2 4.26Å; P468-F470 HydrophobicContact CG-CZ 4.32Å; P468-F470 WeakPolarHBondContact O-CD2 3.39Å; P468-F470 WeakPolarHBondContact O-CE2 3.36Å; F470-Y479 PolarHBondContact N-O 3.43Å; F470-Y479 PolarHBondContact O-N 2.81Å; F470-Y479 VanDerWaalsContact O-N 3.08Å; F470-K482 HydrophobicContact CD1-CB 3.79Å; F470-K482 HydrophobicContact CD1-CG 4.38Å; F470-K482 HydrophobicContact CD2-CB 4.47Å; F470-K482 VanDerWaalsContact CD2-N 3.25Å; F470-K482 HydrophobicContact CE1-CB 3.84Å; F470-K482 HydrophobicContact CE2-CB 4.5Å; F470-K482 HydrophobicContact CG-CB 4.12Å; F470-K482 HydrophobicContact CZ-CB 4.2Å; F470-R485 HydrophobicContact CB-CB 4.12Å
471	L	86.4	Confident	70.4	Confident	99 Å²	99	102.5 Å²	102.5	52%	0.518	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	140.9	175.8	-55.1	178.7	0	0	0	111.6	V469 K477 R485	V469-L471 HydrophobicContact CG1-CD2 3.81Å; V469-L471 PolarHBondContact O-N 3.1Å; L471-K477 CarbonylContact C-O 3.49Å; L471-K477 WeakPolarHBondContact CA-O 3.44Å; L471-R485 WeakPolarHBondContact O-CD 3.29Å
472	C	86.1	Confident	72.5	Confident	3 Å²	3	99.3 Å²	99.3	2%	0.02	52%	0.516	C	S	.	.			trans	-76.9	124.4	169.6	-179.2	0	0	0	0	111.2	H474 C475 G476 K477 Y479 R485 H488 I489	C472-H474 PolarHBondContact O-N 3.15Å; C472-C475 PolarHBondContact O-N 3.43Å; C472-G476 WeakPolarHBondContact O-CA 3.35Å; C472-G476 PolarHBondContact O-N 2.97Å; C472-K477 HydrophobicContact CB-CB 4.5Å; C472-K477 PolarHBondContact N-O 3.26Å; C472-Y479 HydrophobicContact CB-CE2 4.27Å; C472-R485 HydrophobicContact CB-CG 4.34Å; C472-H488 VanDerWaalsContact SG-CD2 3.55Å; C472-H488 PolarHBondContact SG-NE2 2.68Å; C472-I489 VanDerWaalsContact SG-CG1 3.57Å
473	Q	82.9	Confident	74.7	Confident	172 Å²	172	95.2 Å²	95.2	80%	0.804	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.9	-178.1	-156.9	67.3	52.1	0	0	113.7
474	H	79	Confident	76.7	Confident	122 Å²	122	92.1 Å²	92.1	57%	0.565	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-15.9	-173.6	-61.1	-82.2	0	0	0	114.5	C472 H493	C472-H474 PolarHBondContact O-N 3.15Å; H474-H493 HydrophobicContact CB-CB 4.2Å; H474-H493 AromaticContact CG-CG 3.97Å
475	C	86.9	Confident	78.6	Confident	56 Å²	56	90.1 Å²	90.1	38%	0.378	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.3	13.6	178.4	68.5	0	0	0	0	115.4	C472 K477 H488 H493	C472-C475 PolarHBondContact O-N 3.43Å; C475-K477 PolarHBondContact O-N 2.95Å; C475-H488 VanDerWaalsContact SG-CE1 3.58Å; C475-H488 PolarHBondContact SG-NE2 3.27Å; C475-H493 PolarHBondContact SG-NE2 3.44Å
476	G	82.3	Confident	80.3	Confident	48 Å²	48	84.6 Å²	84.6	50%	0.495	45%	0.449	S	S	.	.			trans	72.2	-14.5	175.3	0	0	0	0	0	116.5	C472 S478	C472-G476 WeakPolarHBondContact O-CA 3.35Å; C472-G476 PolarHBondContact O-N 2.97Å; G476-S478 PolarHBondContact O-N 3.38Å
477	K	85.9	Confident	81.7	Confident	106 Å²	106	83.7 Å²	83.7	46%	0.461	44%	0.439	S	S	.	.			trans	-52.7	133.7	-175.9	-68.8	176.9	-171.2	173.6	0	112.5	L471 C472 C475 Y479	L471-K477 CarbonylContact C-O 3.49Å; L471-K477 WeakPolarHBondContact CA-O 3.44Å; C472-K477 HydrophobicContact CB-CB 4.5Å; C472-K477 PolarHBondContact N-O 3.26Å; C475-K477 PolarHBondContact O-N 2.95Å; K477-Y479 HydrophobicContact CB-CE2 3.62Å; K477-Y479 WeakPolarHBondContact CB-OH 3.35Å; K477-Y479 VanDerWaalsContact O-CD2 3.31Å; K477-Y479 WeakPolarHBondContact O-CD2 3.39Å; K477-Y479 VanDerWaalsContact O-CE2 3.24Å; K477-Y479 WeakPolarHBondContact O-CE2 3.36Å
478	S	84.7	Confident	83.3	Confident	82 Å²	82	79 Å²	79	57%	0.573	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	134.3	-174.4	45.9	0	0	0	0	112.8	V469 G476	V469-S478 VanDerWaalsContact CG1-CB 3.42Å; G476-S478 PolarHBondContact O-N 3.38Å
479	Y	85.4	Confident	84.6	Confident	58 Å²	58	76.6 Å²	76.6	23%	0.227	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131.3	179.3	-62.2	-84.6	0	0	0	111.5	F470 C472 K477 S481 R485 H488	F470-Y479 PolarHBondContact N-O 3.43Å; F470-Y479 PolarHBondContact O-N 2.81Å; F470-Y479 VanDerWaalsContact O-N 3.08Å; C472-Y479 HydrophobicContact CB-CE2 4.27Å; K477-Y479 HydrophobicContact CB-CE2 3.62Å; K477-Y479 WeakPolarHBondContact CB-OH 3.35Å; K477-Y479 VanDerWaalsContact O-CD2 3.31Å; K477-Y479 WeakPolarHBondContact O-CD2 3.39Å; K477-Y479 VanDerWaalsContact O-CE2 3.24Å; K477-Y479 WeakPolarHBondContact O-CE2 3.36Å; Y479-S481 PolarHBondContact O-N 3.47Å; Y479-R485 HydrophobicContact CD2-CB 3.78Å; Y479-R485 HydrophobicContact CD2-CG 4.12Å; Y479-R485 HydrophobicContact CG-CB 4.08Å; Y479-H488 HydrophobicContact CE1-CB 4.06Å; Y479-H488 HydrophobicContact CE2-CB 4.11Å; Y479-H488 AromaticContact CE2-CD2 3.33Å; Y479-H488 WeakPolarHBondContact CE2-CD2 3.39Å; Y479-H488 AromaticContact CE2-CG 3.82Å; Y479-H488 AromaticContact CZ-CD2 3.51Å; Y479-H488 AromaticContact CZ-CG 3.5Å; Y479-H488 VanDerWaalsContact CZ-CG 3.5Å; Y479-H488 PolarHBondContact OH-CD2 2.97Å; Y479-H488 VanDerWaalsContact OH-CD2 3.24Å; Y479-H488 PolarHBondContact OH-ND1 3.03Å
480	R	80.3	Confident	85.1	Confident	139 Å²	139	80.8 Å²	80.8	53%	0.525	41%	0.407	S	S	.	.	S	Bend	trans	-71.9	12.1	176.7	-48.7	-161	89.1	-173	-0.4	113.8	D464	D464-R480 PolarHBondContact O-NH2 3.01Å; D464-R480 IonicContact OD1-CZ 3.2Å; D464-R480 IonicContact OD1-NH1 3.14Å; D464-R480 PolarHBondContact OD1-NH1 3.29Å; D464-R480 IonicContact OD1-NH2 2.64Å; D464-R480 PolarHBondContact OD1-NH2 2.91Å
481	S	83.6	Confident	85.1	Confident	56 Å²	56	80.4 Å²	80.4	39%	0.392	41%	0.41	S	S	.	.	S	Bend	trans	-159	148.7	167.9	72.6	0	0	0	0	112.2	Y479 A483 G484 R485	Y479-S481 PolarHBondContact O-N 3.47Å; S481-A483 VanDerWaalsContact C-N 3.27Å; S481-A483 PolarHBondContact O-N 3.28Å; S481-G484 PolarHBondContact O-N 2.98Å; S481-G484 PolarHBondContact OG-N 3.48Å; S481-R485 PolarHBondContact O-N 3.49Å
482	K	84.9	Confident	84.7	Confident	115 Å²	115	81 Å²	81	50%	0.5	41%	0.41	S	S	.	.	H	α-helix	trans	-56	-39.8	173	-177.7	176.7	176.3	-178.9	0	112.5	F470 G484 R485 D486	F470-K482 HydrophobicContact CD1-CB 3.79Å; F470-K482 HydrophobicContact CD1-CG 4.38Å; F470-K482 HydrophobicContact CD2-CB 4.47Å; F470-K482 VanDerWaalsContact CD2-N 3.25Å; F470-K482 HydrophobicContact CE1-CB 3.84Å; F470-K482 HydrophobicContact CE2-CB 4.5Å; F470-K482 HydrophobicContact CG-CB 4.12Å; F470-K482 HydrophobicContact CZ-CB 4.2Å; K482-G484 VanDerWaalsContact C-N 3.33Å; K482-G484 PolarHBondContact O-N 3.28Å; K482-R485 PolarHBondContact O-N 2.94Å; K482-D486 VanDerWaalsContact CE-OD2 3.31Å; K482-D486 WeakPolarHBondContact CE-OD2 3.5Å; K482-D486 WeakPolarHBondContact CG-OD2 3.47Å; K482-D486 WeakPolarHBondContact O-CB 3.5Å; K482-D486 PolarHBondContact O-N 3.4Å
483	A	86.1	Confident	84.4	Confident	71 Å²	71	83.3 Å²	83.3	59%	0.587	42%	0.421	S	S	*	.	H	α-helix	trans	-64	-36.2	179.7	0	0	0	0	0	112.9	S481 Y487	S481-A483 VanDerWaalsContact C-N 3.27Å; S481-A483 PolarHBondContact O-N 3.28Å; A483-Y487 WeakPolarHBondContact O-CB 3.41Å; A483-Y487 PolarHBondContact O-N 3.44Å
484	G	87.3	Confident	83.8	Confident	25 Å²	25	79.3 Å²	79.3	26%	0.258	41%	0.41	S	S	.	.	H	α-helix	trans	-66.1	-46.3	174.4	0	0	0	0	0	112.3	S481 K482 Y487 H488	S481-G484 PolarHBondContact O-N 2.98Å; S481-G484 PolarHBondContact OG-N 3.48Å; K482-G484 VanDerWaalsContact C-N 3.33Å; K482-G484 PolarHBondContact O-N 3.28Å; G484-Y487 PolarHBondContact O-N 3.13Å; G484-H488 PolarHBondContact O-N 2.87Å
485	R	89.1	Confident	82.9	Confident	62 Å²	62	79 Å²	79	23%	0.234	42%	0.419	C	S	.	.	H	α-helix	trans	-57.9	-49.8	172.9	-176.2	-159.4	64.2	171.3	7.8	111.5	F470 L471 C472 Y479 S481 K482 Y487 H488 I489	F470-R485 HydrophobicContact CB-CB 4.12Å; L471-R485 WeakPolarHBondContact O-CD 3.29Å; C472-R485 HydrophobicContact CB-CG 4.34Å; Y479-R485 HydrophobicContact CD2-CB 3.78Å; Y479-R485 HydrophobicContact CD2-CG 4.12Å; Y479-R485 HydrophobicContact CG-CB 4.08Å; S481-R485 PolarHBondContact O-N 3.49Å; K482-R485 PolarHBondContact O-N 2.94Å; R485-Y487 VanDerWaalsContact C-N 3.27Å; R485-Y487 PolarHBondContact O-N 2.82Å; R485-H488 PolarHBondContact O-N 3.07Å; R485-I489 HydrophobicContact CG-CD1 3.91Å; R485-I489 HydrophobicContact CG-CG1 4.47Å; R485-I489 WeakPolarHBondContact O-CG1 3.45Å; R485-I489 PolarHBondContact O-N 2.69Å
486	D	85.6	Confident	80.7	Confident	41 Å²	41	82.8 Å²	82.8	22%	0.219	44%	0.44	C	S	.	.	H	α-helix	trans	-69.4	-26.1	-176.2	-64	-4	0	0	0	111.5	K482 R490	K482-D486 VanDerWaalsContact CE-OD2 3.31Å; K482-D486 WeakPolarHBondContact CE-OD2 3.5Å; K482-D486 WeakPolarHBondContact CG-OD2 3.47Å; K482-D486 WeakPolarHBondContact O-CB 3.5Å; K482-D486 PolarHBondContact O-N 3.4Å; D486-R490 WeakPolarHBondContact O-CG 3.45Å; D486-R490 PolarHBondContact O-NE 3.44Å; D486-R490 PolarHBondContact O-NH2 2.85Å; D486-R490 VanDerWaalsContact O-NH2 3.08Å
487	Y	88.4	Confident	78.8	Confident	155 Å²	155	87.4 Å²	87.4	61%	0.608	45%	0.452	S	S	*	.	H	α-helix	trans	-66.1	-54	166.4	175.8	-100	0	0	0	111.2	A483 G484 R485 I489 R490 T491	A483-Y487 WeakPolarHBondContact O-CB 3.41Å; A483-Y487 PolarHBondContact O-N 3.44Å; G484-Y487 PolarHBondContact O-N 3.13Å; R485-Y487 VanDerWaalsContact C-N 3.27Å; R485-Y487 PolarHBondContact O-N 2.82Å; Y487-I489 VanDerWaalsContact C-N 3.34Å; Y487-I489 PolarHBondContact O-N 2.85Å; Y487-R490 WeakPolarHBondContact O-CA 3.36Å; Y487-R490 WeakPolarHBondContact O-CB 3.34Å; Y487-R490 PolarHBondContact O-N 3.3Å; Y487-T491 HydrophobicContact CD1-CG2 4.33Å; Y487-T491 HydrophobicContact CD2-CG2 4.45Å; Y487-T491 HydrophobicContact CE1-CG2 3.86Å; Y487-T491 HydrophobicContact CE2-CG2 3.99Å; Y487-T491 PolarHBondContact O-N 2.79Å; Y487-T491 VanDerWaalsContact O-N 3.12Å
488	H	88.7	Confident	76.3	Confident	9 Å²	9	88.2 Å²	88.2	4%	0.042	47%	0.466	C	S	.	.	H	α-helix	trans	-58.2	-39.6	179.9	156	60.1	0	0	0	113.5	C472 C475 Y479 G484 R485 R490 T491 E492 H493	C472-H488 VanDerWaalsContact SG-CD2 3.55Å; C472-H488 PolarHBondContact SG-NE2 2.68Å; C475-H488 VanDerWaalsContact SG-CE1 3.58Å; C475-H488 PolarHBondContact SG-NE2 3.27Å; Y479-H488 HydrophobicContact CE1-CB 4.06Å; Y479-H488 HydrophobicContact CE2-CB 4.11Å; Y479-H488 AromaticContact CE2-CD2 3.33Å; Y479-H488 WeakPolarHBondContact CE2-CD2 3.39Å; Y479-H488 AromaticContact CE2-CG 3.82Å; Y479-H488 AromaticContact CZ-CD2 3.51Å; Y479-H488 AromaticContact CZ-CG 3.5Å; Y479-H488 VanDerWaalsContact CZ-CG 3.5Å; Y479-H488 PolarHBondContact OH-CD2 2.97Å; Y479-H488 VanDerWaalsContact OH-CD2 3.24Å; Y479-H488 PolarHBondContact OH-ND1 3.03Å; G484-H488 PolarHBondContact O-N 2.87Å; R485-H488 PolarHBondContact O-N 3.07Å; H488-R490 PolarHBondContact O-N 3.04Å; H488-T491 PolarHBondContact O-N 3.19Å; H488-T491 PolarHBondContact O-OG1 2.74Å; H488-E492 VanDerWaalsContact CE1-CG 3.41Å; H488-E492 WeakPolarHBondContact CE1-CG 3.37Å; H488-E492 WeakPolarHBondContact ND1-CG 3.34Å; H488-E492 PolarHBondContact O-N 3.44Å; H488-H493 AromaticContact CE1-CD2 3.84Å; H488-H493 AromaticContact CE1-NE2 3.63Å; H488-H493 AromaticContact NE2-CD2 3.81Å; H488-H493 AromaticContact NE2-NE2 3.67Å
489	I	88.7	Confident	73.9	Confident	39 Å²	39	90.4 Å²	90.4	20%	0.2	48%	0.476	C	S	.	.	H	α-helix	trans	-58.7	-38.8	173.4	-69.2	167.1	0	0	0	110.7	C472 R485 Y487 H493	C472-I489 VanDerWaalsContact SG-CG1 3.57Å; R485-I489 HydrophobicContact CG-CD1 3.91Å; R485-I489 HydrophobicContact CG-CG1 4.47Å; R485-I489 WeakPolarHBondContact O-CG1 3.45Å; R485-I489 PolarHBondContact O-N 2.69Å; Y487-I489 VanDerWaalsContact C-N 3.34Å; Y487-I489 PolarHBondContact O-N 2.85Å; I489-H493 CarbonylContact O-C 3.55Å; I489-H493 VanDerWaalsContact O-CA 3.3Å; I489-H493 WeakPolarHBondContact O-CA 3.23Å; I489-H493 WeakPolarHBondContact O-CB 3.46Å; I489-H493 PolarHBondContact O-N 3.26Å
490	R	83.2	Confident	71.6	Confident	173 Å²	173	93.9 Å²	93.9	65%	0.653	50%	0.503	S	S	*	.	H	α-helix	trans	-78	-17.7	179.4	-70.9	176	-66.2	-136.7	-6.1	114.5	D486 Y487 H488	D486-R490 WeakPolarHBondContact O-CG 3.45Å; D486-R490 PolarHBondContact O-NE 3.44Å; D486-R490 PolarHBondContact O-NH2 2.85Å; D486-R490 VanDerWaalsContact O-NH2 3.08Å; Y487-R490 WeakPolarHBondContact O-CA 3.36Å; Y487-R490 WeakPolarHBondContact O-CB 3.34Å; Y487-R490 PolarHBondContact O-N 3.3Å; H488-R490 PolarHBondContact O-N 3.04Å
491	T	82.1	Confident	69.4	Low	58 Å²	58	93.2 Å²	93.2	36%	0.356	52%	0.515	S	S	.	.	H	α-helix	trans	-94.5	-45.3	176.3	61.2	0	0	0	0	112.3	Y487 H488	Y487-T491 HydrophobicContact CD1-CG2 4.33Å; Y487-T491 HydrophobicContact CD2-CG2 4.45Å; Y487-T491 HydrophobicContact CE1-CG2 3.86Å; Y487-T491 HydrophobicContact CE2-CG2 3.99Å; Y487-T491 PolarHBondContact O-N 2.79Å; Y487-T491 VanDerWaalsContact O-N 3.12Å; H488-T491 PolarHBondContact O-N 3.19Å; H488-T491 PolarHBondContact O-OG1 2.74Å
492	E	77.8	Confident	66.9	Low	111 Å²	111	97.6 Å²	97.6	52%	0.519	54%	0.539	S	S	.	.	H	α-helix	trans	-98.7	-17.2	-173.1	-42.9	-53.5	119.5	0	0	113.9	H488 P494	H488-E492 VanDerWaalsContact CE1-CG 3.41Å; H488-E492 WeakPolarHBondContact CE1-CG 3.37Å; H488-E492 WeakPolarHBondContact ND1-CG 3.34Å; H488-E492 PolarHBondContact O-N 3.44Å; E492-P494 VanDerWaalsContact C-CD 3.4Å
493	H	80.1	Confident	64.3	Low	52 Å²	52	96.3 Å²	96.3	24%	0.241	55%	0.55	C	S	.	*			trans	-130.5	54.4	-175.8	-55.5	-63.3	0	0	0	112.8	H474 C475 H488 I489	H474-H493 HydrophobicContact CB-CB 4.2Å; H474-H493 AromaticContact CG-CG 3.97Å; C475-H493 PolarHBondContact SG-NE2 3.44Å; H488-H493 AromaticContact CE1-CD2 3.84Å; H488-H493 AromaticContact CE1-NE2 3.63Å; H488-H493 AromaticContact NE2-CD2 3.81Å; H488-H493 AromaticContact NE2-NE2 3.67Å; I489-H493 CarbonylContact O-C 3.55Å; I489-H493 VanDerWaalsContact O-CA 3.3Å; I489-H493 WeakPolarHBondContact O-CA 3.23Å; I489-H493 WeakPolarHBondContact O-CB 3.46Å; I489-H493 PolarHBondContact O-N 3.26Å
494	P	69.6	Low	61.6	Low	88 Å²	88	99.7 Å²	99.7	57%	0.571	56%	0.563	S	S	*	*			trans	-62.6	134.8	174.9	28.7	-35	0	0	0	110.9	E492 T496	E492-P494 VanDerWaalsContact C-CD 3.4Å; P494-T496 PolarHBondContact O-N 3.3Å
495	P	61.4	Low	58.8	Low	116 Å²	116	106.1 Å²	106.1	75%	0.753	59%	0.592	S	S	*	*			trans	-77.9	112.7	-176.9	29.5	-34	0	0	0	112.1	I497	P495-I497 PolarHBondContact O-N 3.02Å
496	T	39.9	Very low	55.9	Low	135 Å²	135	107.4 Å²	107.4	83%	0.828	62%	0.616	S	S	*	*			trans	-71.9	117.5	167.6	-54.5	0	0	0	0	109.9	P494	P494-T496 PolarHBondContact O-N 3.3Å
497	I	43	Very low	53.4	Low	144 Å²	144	113 Å²	113	74%	0.738	65%	0.646	S	S	*	*			trans	-95	104.4	-178.5	-58.6	179	0	0	0	110.2	P495	P495-I497 PolarHBondContact O-N 3.02Å
498	T	32.3	Very low	50.7	Low	124 Å²	124	112.9 Å²	112.9	76%	0.761	66%	0.656	S	S	*	*			trans	-68.5	134.6	169.8	-54.7	0	0	0	0	110.4
499	T	33.6	Very low	47.8	Very low	128 Å²	128	121 Å²	121	79%	0.785	69%	0.687	S	S	*	*			trans	-104.5	113	-177.2	-53.8	0	0	0	0	111.1
500	V	37.9	Very low	45.2	Very low	130 Å²	130	126.3 Å²	126.3	79%	0.788	71%	0.709	S	S	*	*			trans	-140	138.1	166.2	-175.7	0	0	0	0	109.5
501	T	35.1	Very low	42.7	Very low	126 Å²	126	125.3 Å²	125.3	77%	0.773	72%	0.717	S	S	*	*			trans	-87	139.9	-172.9	-38.6	0	0	0	0	112.9
502	T	29.5	Very low	40	Very low	147 Å²	147	127.8 Å²	127.8	90%	0.902	74%	0.736	S	S	*	*			trans	-168.2	162.9	144.4	8.8	0	0	0	0	110.2
503	A	31.5	Very low	37.6	Very low	89 Å²	89	129.7 Å²	129.7	74%	0.736	75%	0.749	S	S	*	*			trans	-135	131.2	-175	0	0	0	0	0	112.3
504	T	28.7	Very low	35.3	Very low	141 Å²	141	133 Å²	133	87%	0.865	77%	0.773	S	S	*	*			trans	-173.8	132.1	140.5	12.4	0	0	0	0	114.1
505	N	29.4	Very low	33.4	Very low	160 Å²	160	136.2 Å²	136.2	86%	0.856	79%	0.785	S	S	*	*			trans	67.1	173.8	140.8	-133.4	-19.2	0	0	0	121.3
506	A	27.8	Very low	32	Very low	90 Å²	90	136.9 Å²	136.9	74%	0.744	79%	0.788	S	S	*	*			trans	80.1	161.8	176.6	0	0	0	0	0	118.2
507	N	32.2	Very low	31.7	Very low	158 Å²	158	137.3 Å²	137.3	85%	0.845	79%	0.785	S	S	*	*			trans	-123.6	166.2	-160	-77.5	-85.2	0	0	0	113.7
508	N	32.1	Very low	31.3	Very low	152 Å²	152	136.8 Å²	136.8	81%	0.813	78%	0.784	S	S	*	*			trans	101.5	155.4	143.3	-138	-22.5	0	0	0	119
509	Y	28.1	Very low	31.1	Very low	179 Å²	179	138 Å²	138	70%	0.702	79%	0.785	S	S	*	*			trans	76.6	98.1	170.5	-104.6	-101.2	0	0	0	122.6
510	K	33.4	Very low	31	Very low	152 Å²	152	138.4 Å²	138.4	66%	0.661	79%	0.788	S	S	*	*			trans	41.3	123.4	136.6	-73.2	-176.6	-178	161.1	0	122.9
511	N	31	Very low	30.4	Very low	152 Å²	152	135.5 Å²	135.5	81%	0.813	78%	0.784	S	S	*	*				82.5	143.5	129.2	-72.5	30.8	0	0	0	122.1
512	S	25.7	Very low	30.2	Very low	110 Å²	110	138.1 Å²	138.1	77%	0.769	79%	0.785	S	S	*	*			trans	90.3	87.7	149	-156.1	0	0	0	0	119.9
513	L	27.4	Very low	30.3	Very low	150 Å²	150	138.2 Å²	138.2	79%	0.785	78%	0.775	S	S	*	*				50.4	108.4	123.6	-167.4	66.9	0	0	0	119.4
514	T	32.2	Very low	30.3	Very low	121 Å²	121	145.4 Å²	145.4	74%	0.742	78%	0.783	S	S	*	*			trans	6.6	132.9	149.2	60.1	0	0	0	0	120.1
515	D	30.4	Very low	30.2	Very low	156 Å²	156	141.7 Å²	141.7	83%	0.834	77%	0.773	S	S	*	*			trans	-145.8	178.4	136.2	-139.2	-35.4	0	0	0	109.7
516	T	30.7	Very low	30.2	Very low	130 Å²	130	141.7 Å²	141.7	80%	0.798	77%	0.771	S	S	*	*			trans	93.9	137.5	-176	69.9	0	0	0	0	116.6
517	N	33.9	Very low	30	Very low	144 Å²	144	142.1 Å²	142.1	77%	0.77	77%	0.769	S	S	*	*			cis	-146.3	177	-17.3	-152	-5.3	0	0	0	112.3
518	N	33.6	Very low	29.7	Very low	134 Å²	134	141.7 Å²	141.7	72%	0.717	77%	0.767	S	S	*	*			trans	-91.9	160.5	-176	-55.7	-93.3	0	0	0	113.3
519	N	29	Very low	29.3	Very low	148 Å²	148	141.4 Å²	141.4	79%	0.791	77%	0.765	S	S	*	*			trans	-103.4	156.8	136.9	-78.1	-23.2	0	0	0	107
520	T	30.9	Very low	29.1	Very low	137 Å²	137	137.6 Å²	137.6	84%	0.84	77%	0.765	S	S	*	*			cis	-159.3	166.5	21.2	-20.9	0	0	0	0	110
521	G	26.9	Very low	29.8	Very low	69 Å²	69	135.8 Å²	135.8	71%	0.711	77%	0.769	S	S	*	*			trans	-122.7	162.2	160.9	0	0	0	0	0	111.3
522	K	29.8	Very low	29.6	Very low	181 Å²	181	136.4 Å²	136.4	79%	0.787	77%	0.771	S	S	*	*			trans	-154.8	143.9	-169.3	-155	-169.2	157.6	167.9	0	114.8
523	E	30.9	Very low	29.6	Very low	149 Å²	149	137.8 Å²	137.8	70%	0.696	78%	0.775	S	S	*	*			trans	68.2	149.2	173.6	-53.6	-47.4	138.8	0	0	117.3
524	R	32.5	Very low	29.5	Very low	240 Å²	240	134 Å²	134	91%	0.906	77%	0.771	S	S	*	*			cis	-167.2	144.9	39.6	-176.9	-167.1	-56.2	-158	1.8	115.1
525	G	26.8	Very low	29.3	Very low	64 Å²	64	138 Å²	138	66%	0.66	78%	0.779	S	S	*	*			trans	96	155.8	152.9	0	0	0	0	0	118.2
526	I	28.7	Very low	29.1	Very low	159 Å²	159	139.9 Å²	139.9	82%	0.815	78%	0.78	S	S	*	*			cis	-159.3	153.1	1.2	-98.3	159	0	0	0	109.8
527	S	24.6	Very low	28.8	Very low	100 Å²	100	141.5 Å²	141.5	70%	0.699	78%	0.776	S	S	*	*			trans	65.8	151.3	162.6	-76.3	0	0	0	0	120.2
528	D	24.7	Very low	28.4	Very low	149 Å²	149	140.7 Å²	140.7	80%	0.797	77%	0.767	S	S	*	*			cis	-157.9	-175	-10.7	-127.7	-60.9	0	0	0	113.7
529	D	23.9	Very low	28	Very low	145 Å²	145	142 Å²	142	78%	0.775	77%	0.769	S	S	*	*			trans	91.8	157	160.7	-156.2	-130.8	0	0	0	120.8
530	S	25.1	Very low	27.8	Very low	100 Å²	100	142.1 Å²	142.1	70%	0.699	77%	0.769	S	S	*	*			trans	-175.4	176.7	-164.7	-81.8	0	0	0	0	111.5
531	P	47.8	Very low	27.5	Very low	114 Å²	114	142.3 Å²	142.3	74%	0.74	77%	0.765	S	S	*	*			cis	-127.9	-169.1	-22.5	38.7	-22.6	0	0	0	111.9
532	L	25.6	Very low	27.6	Very low	165 Å²	165	145.9 Å²	145.9	86%	0.864	77%	0.767	S	S	*	*			trans	-167.7	157.9	132.9	-106.4	169.3	0	0	0	115.5
533	V	26.1	Very low	27.3	Very low	138 Å²	138	146.1 Å²	146.1	84%	0.836	77%	0.771	S	S	*	*			trans	-45	154.4	175.9	168.8	0	0	0	0	115.2
534	G	25.7	Very low	27.2	Very low	70 Å²	70	148.7 Å²	148.7	72%	0.722	77%	0.774	S	S	*	*			cis	-175.9	-152.7	13.1	0	0	0	0	0	116.4
535	K	27.8	Very low	26.9	Very low	205 Å²	205	144.7 Å²	144.7	89%	0.891	76%	0.763	S	S	*	*			trans	-119.2	145.3	-162.2	-55.3	170.9	-178.7	171.8	0	115.5
536	K	25.9	Very low	26.7	Very low	197 Å²	197	147.8 Å²	147.8	86%	0.857	77%	0.765	S	S	*	*			trans	177.7	140.8	136.2	-95.3	163.4	-178.8	-178.4	0	108.4
537	K	25.1	Very low	26.5	Very low	164 Å²	164	152.1 Å²	152.1	71%	0.713	77%	0.771	S	S	*	*				55.9	134.5	72	-74.9	-171.6	135.6	-128.2	0	112.1
538	E	25.3	Very low	26.3	Very low	126 Å²	126	155 Å²	155	59%	0.589	77%	0.773	S	S	*	*			cis	-165	-174.7	8.9	-118.6	165.5	139.5	0	0	109.4
539	Q	26.1	Very low	26.4	Very low	163 Å²	163	154.3 Å²	154.3	76%	0.762	77%	0.765	S	S	*	*			cis	-140.7	-110.7	8	-151.1	152.2	57	0	0	115
540	N	23	Very low	26.5	Very low	149 Å²	149	155 Å²	155	80%	0.797	76%	0.762	S	S	*	*			trans	-158.7	168.2	-169.1	-165.4	-0.8	0	0	0	112.6
541	L	24.6	Very low	27.2	Very low	141 Å²	141	155.5 Å²	155.5	74%	0.738	76%	0.762	S	S	*	*			trans	88.2	99.5	148.9	-152	68.5	0	0	0	121.7
542	L	29.3	Very low	27.2	Very low	145 Å²	145	155.1 Å²	155.1	76%	0.759	76%	0.76	S	S	*	*			trans	4.2	125.2	130.3	-180	71.7	0	0	0	119.4
543	E	24.5	Very low	27.1	Very low	186 Å²	186	152.9 Å²	152.9	87%	0.869	75%	0.753	S	S	*	*				-154.5	-165.4	124	-125.6	-164.4	124.8	0	0	114.5
544	R	27.6	Very low	27.4	Very low	202 Å²	202	151.3 Å²	151.3	76%	0.762	75%	0.748	S	S	*	*			trans	-147.4	127.8	-139.6	168.7	177.5	155.7	154.8	-5.7	116
545	K	26	Very low	27.7	Very low	157 Å²	157	155.7 Å²	155.7	68%	0.683	75%	0.75	S	S	*	*			trans	85.3	143.4	149.6	-90.9	175.4	147.8	-81.7	0	122.7
546	D	23.3	Very low	28.5	Very low	129 Å²	129	149.9 Å²	149.9	69%	0.69	73%	0.733	S	S	*	*			trans	70.2	151.8	150.7	-76.9	-99.7	0	0	0	120.4
547	W	23.8	Very low	29.2	Very low	250 Å²	250	149 Å²	149	95%	0.947	73%	0.729	S	S	*	*			trans	-119.7	151.8	-166.4	-79	77.9	0	0	0	111.5
548	Q	22.1	Very low	30	Very low	161 Å²	161	149.3 Å²	149.3	75%	0.752	73%	0.733	S	S	*	*			trans	-138.6	166	168.3	-103.8	-68.9	-16.5	0	0	111.1
549	E	25.3	Very low	30.9	Very low	133 Å²	133	152.8 Å²	152.8	62%	0.621	74%	0.741	S	S	*	*			trans	-78.4	179.8	-165.7	-50.5	175.6	98.2	0	0	112.9
550	K	27.1	Very low	31.9	Very low	161 Å²	161	149.4 Å²	149.4	70%	0.7	73%	0.728	S	S	*	*			cis	-154.8	-155.3	19.5	-137.8	143.8	-170.4	156.2	0	110
551	P	39.3	Very low	33.2	Very low	110 Å²	110	148.2 Å²	148.2	71%	0.714	72%	0.721	S	S	*	*			trans	-125	-146.9	-140.3	43.6	-19.6	0	0	0	111.6
552	P	47.5	Very low	34.6	Very low	106 Å²	106	147.7 Å²	147.7	69%	0.688	72%	0.715	S	S	*	*			cis	-132.5	-178.6	-16.2	39	-20.9	0	0	0	115
553	T	24.6	Very low	35.7	Very low	117 Å²	117	149 Å²	149	72%	0.718	71%	0.71	S	S	*	*				159.2	110.4	121.2	-68.8	0	0	0	0	114.1
554	S	30.8	Very low	37.4	Very low	105 Å²	105	145.1 Å²	145.1	73%	0.734	69%	0.691	S	S	*	*			trans	54.2	148.8	146.6	95.1	0	0	0	0	121.4
555	Q	33.7	Very low	38.9	Very low	163 Å²	163	141.1 Å²	141.1	76%	0.762	68%	0.682	S	S	*	*			cis	-136.6	166.4	0.6	-91.8	-149.4	14.8	0	0	111.9
556	P	44	Very low	40.5	Very low	83 Å²	83	140.1 Å²	140.1	54%	0.539	68%	0.679	S	S	.	*			trans	-102.6	163.1	179.6	39.6	-33.9	0	0	0	114.4
557	K	40.8	Very low	42.4	Very low	178 Å²	178	142.4 Å²	142.4	77%	0.774	68%	0.678	S	S	*	*	S	Bend	trans	-170.8	-34	146.3	-109.5	152.1	-173.2	170.2	0	115.7
558	E	41.8	Very low	44.3	Very low	170 Å²	170	136 Å²	136	79%	0.794	66%	0.657	S	S	*	*	S	Bend	trans	-82.1	-41.5	-174.9	-64.4	175.7	144.8	0	0	113	D560 L561	E558-D560 PolarHBondContact O-N 3.49Å; E558-D560 VanDerWaalsContact O-N 3.14Å; E558-L561 PolarHBondContact O-N 3.34Å
559	R	43.5	Very low	45.8	Very low	199 Å²	199	134 Å²	134	75%	0.751	65%	0.648	S	S	*	*	H	α-helix	trans	-65.7	-15.7	-176.1	-85.5	179.9	-78.4	-169.9	-5.8	115.7	R563	R559-R563 VanDerWaalsContact O-CB 3.24Å; R559-R563 WeakPolarHBondContact O-CB 3.12Å; R559-R563 PolarHBondContact O-N 3.26Å
560	D	46.8	Very low	47.8	Very low	93 Å²	93	130.8 Å²	130.8	50%	0.497	64%	0.64	S	S	.	*	H	α-helix	trans	-79.1	-28	176.9	-67.7	-61.3	0	0	0	112.1	E558 E564	E558-D560 PolarHBondContact O-N 3.49Å; E558-D560 VanDerWaalsContact O-N 3.14Å; D560-E564 PolarHBondContact O-N 2.79Å
561	L	50.3	Low	49.5	Very low	124 Å²	124	130.5 Å²	130.5	65%	0.649	64%	0.639	S	S	*	*	H	α-helix	trans	-70.4	-50.4	175.2	-66.8	172.9	0	0	0	111.1	E558 R563 E564 E565	E558-L561 PolarHBondContact O-N 3.34Å; L561-R563 PolarHBondContact O-N 3.3Å; L561-E564 PolarHBondContact O-N 3.14Å; L561-E564 VanDerWaalsContact O-N 3.15Å; L561-E565 WeakPolarHBondContact O-CB 3.34Å; L561-E565 PolarHBondContact O-N 2.81Å
562	E	53.4	Low	50.5	Low	130 Å²	130	131.4 Å²	131.4	61%	0.607	63%	0.633	S	S	*	*	H	α-helix	trans	-54.6	-43.2	173.3	-66.6	-176.5	121.6	0	0	111.2	E565 E566	E562-E565 PolarHBondContact O-N 2.82Å; E562-E566 PolarHBondContact O-N 3.31Å
563	R	52.9	Low	50.9	Low	172 Å²	172	133.5 Å²	133.5	65%	0.649	63%	0.632	S	S	*	*	H	α-helix	trans	-68	-34.6	179.6	178.3	163.4	-72	-158.6	-4.5	113.1	R559 L561 R567	R559-R563 VanDerWaalsContact O-CB 3.24Å; R559-R563 WeakPolarHBondContact O-CB 3.12Å; R559-R563 PolarHBondContact O-N 3.26Å; L561-R563 PolarHBondContact O-N 3.3Å; R563-R567 VanDerWaalsContact O-CB 3.23Å; R563-R567 WeakPolarHBondContact O-CB 3.46Å; R563-R567 PolarHBondContact O-N 3.35Å; R563-R567 VanDerWaalsContact O-N 3.16Å
564	E	59.7	Low	52.5	Low	104 Å²	104	130.6 Å²	130.6	49%	0.486	62%	0.619	S	S	.	*	H	α-helix	trans	-72.4	-33.7	172.8	-154.7	-169.6	132.3	0	0	111.4	D560 L561 R567 K568	D560-E564 PolarHBondContact O-N 2.79Å; L561-E564 PolarHBondContact O-N 3.14Å; L561-E564 VanDerWaalsContact O-N 3.15Å; E564-R567 CarbonylContact O-C 3.51Å; E564-R567 PolarHBondContact O-N 3.3Å; E564-K568 WeakPolarHBondContact O-CG 3.27Å; E564-K568 PolarHBondContact O-N 3.48Å; E564-K568 WeakPolarHBondContact OE1-CE 3.44Å; E564-K568 IonicContact OE1-NZ 2.64Å; E564-K568 PolarHBondContact OE1-NZ 2.83Å
565	E	59.4	Low	53.7	Low	119 Å²	119	128.2 Å²	128.2	56%	0.556	61%	0.606	S	S	*	*	H	α-helix	trans	-70.9	-43.9	177	-167.1	159.3	-155	0	0	112.4	L561 E562 R567 K568 Q569	L561-E565 WeakPolarHBondContact O-CB 3.34Å; L561-E565 PolarHBondContact O-N 2.81Å; E562-E565 PolarHBondContact O-N 2.82Å; E565-R567 PolarHBondContact O-N 3.14Å; E565-K568 PolarHBondContact O-N 3.17Å; E565-K568 VanDerWaalsContact O-N 3.12Å; E565-Q569 WeakPolarHBondContact O-CG 3.42Å; E565-Q569 PolarHBondContact O-N 2.86Å
566	E	60.9	Low	54.4	Low	135 Å²	135	125.7 Å²	125.7	63%	0.631	59%	0.594	S	S	*	*	H	α-helix	trans	-56.2	-37.9	166.7	-77.6	-162.7	123.5	0	0	111.7	E562 K568 S570	E562-E566 PolarHBondContact O-N 3.31Å; E566-K568 VanDerWaalsContact C-N 3.34Å; E566-S570 VanDerWaalsContact O-CB 3.27Å; E566-S570 WeakPolarHBondContact O-CB 3.44Å; E566-S570 PolarHBondContact O-N 3.4Å; E566-S570 PolarHBondContact O-OG 2.87Å
567	R	62.5	Low	54.8	Low	178 Å²	178	127.2 Å²	127.2	67%	0.672	60%	0.597	S	S	*	*	H	α-helix	trans	-75.9	-21.6	179.7	-157.1	172.1	-168.7	-172.2	3.2	113.2	R563 E564 E565 S570 K571	R563-R567 VanDerWaalsContact O-CB 3.23Å; R563-R567 WeakPolarHBondContact O-CB 3.46Å; R563-R567 PolarHBondContact O-N 3.35Å; R563-R567 VanDerWaalsContact O-N 3.16Å; E564-R567 CarbonylContact O-C 3.51Å; E564-R567 PolarHBondContact O-N 3.3Å; E565-R567 PolarHBondContact O-N 3.14Å; R567-S570 WeakPolarHBondContact CA-OG 3.47Å; R567-S570 PolarHBondContact O-OG 3.03Å; R567-K571 WeakPolarHBondContact O-CG 3.36Å; R567-K571 PolarHBondContact O-N 2.97Å
568	K	63.6	Low	55.1	Low	115 Å²	115	126.7 Å²	126.7	50%	0.5	60%	0.595	S	S	.	*	H	α-helix	trans	-78	-53.4	167.2	-74.3	163.1	-174.8	163	0	110.2	E564 E565 E566 S570 K571 E572	E564-K568 WeakPolarHBondContact O-CG 3.27Å; E564-K568 PolarHBondContact O-N 3.48Å; E564-K568 WeakPolarHBondContact OE1-CE 3.44Å; E564-K568 IonicContact OE1-NZ 2.64Å; E564-K568 PolarHBondContact OE1-NZ 2.83Å; E565-K568 PolarHBondContact O-N 3.17Å; E565-K568 VanDerWaalsContact O-N 3.12Å; E566-K568 VanDerWaalsContact C-N 3.34Å; K568-S570 VanDerWaalsContact C-N 3.3Å; K568-S570 PolarHBondContact O-N 2.99Å; K568-K571 WeakPolarHBondContact O-CB 3.18Å; K568-K571 PolarHBondContact O-N 3.34Å; K568-K571 VanDerWaalsContact O-N 3.09Å; K568-E572 WeakPolarHBondContact O-CB 3.36Å; K568-E572 PolarHBondContact O-N 3.37Å
569	Q	54.9	Low	55.3	Low	119 Å²	119	121.5 Å²	121.5	56%	0.556	58%	0.577	S	S	*	*	H	α-helix	trans	-57	-39.6	177.4	-71.2	-172.3	18.2	0	0	112.7	E565 E572 K573	E565-Q569 WeakPolarHBondContact O-CG 3.42Å; E565-Q569 PolarHBondContact O-N 2.86Å; Q569-E572 PolarHBondContact O-N 2.72Å; Q569-K573 WeakPolarHBondContact O-CB 3.26Å; Q569-K573 PolarHBondContact O-N 2.92Å
570	S	65.9	Low	55.1	Low	66 Å²	66	118 Å²	118	46%	0.462	57%	0.569	S	S	.	*	H	α-helix	trans	-70.9	-34.7	176.9	52.9	0	0	0	0	113.3	E566 R567 K568 A574	E566-S570 VanDerWaalsContact O-CB 3.27Å; E566-S570 WeakPolarHBondContact O-CB 3.44Å; E566-S570 PolarHBondContact O-N 3.4Å; E566-S570 PolarHBondContact O-OG 2.87Å; R567-S570 WeakPolarHBondContact CA-OG 3.47Å; R567-S570 PolarHBondContact O-OG 3.03Å; K568-S570 VanDerWaalsContact C-N 3.3Å; K568-S570 PolarHBondContact O-N 2.99Å; S570-A574 VanDerWaalsContact O-CB 3.27Å; S570-A574 WeakPolarHBondContact O-CB 3.38Å; S570-A574 PolarHBondContact O-N 3.46Å
571	K	64.1	Low	54.9	Low	155 Å²	155	115.6 Å²	115.6	67%	0.674	57%	0.567	S	S	*	*	H	α-helix	trans	-67	-43.9	169.8	-84.9	-177.7	172.8	-176.5	0	112.1	R567 K568 A574 A575	R567-K571 WeakPolarHBondContact O-CG 3.36Å; R567-K571 PolarHBondContact O-N 2.97Å; K568-K571 WeakPolarHBondContact O-CB 3.18Å; K568-K571 PolarHBondContact O-N 3.34Å; K568-K571 VanDerWaalsContact O-N 3.09Å; K571-A574 PolarHBondContact O-N 3.1Å; K571-A575 WeakPolarHBondContact O-CB 3.2Å; K571-A575 PolarHBondContact O-N 3.15Å
572	E	59.9	Low	54.5	Low	129 Å²	129	116.6 Å²	116.6	60%	0.603	57%	0.568	S	S	*	*	H	α-helix	trans	-65.2	-44.1	179.2	-172.5	167.1	-140.4	0	0	110.9	K568 Q569 A574 A575 Q576	K568-E572 WeakPolarHBondContact O-CB 3.36Å; K568-E572 PolarHBondContact O-N 3.37Å; Q569-E572 PolarHBondContact O-N 2.72Å; E572-A574 VanDerWaalsContact C-N 3.35Å; E572-A574 PolarHBondContact O-N 3.46Å; E572-A575 CarbonylContact O-C 3.51Å; E572-A575 WeakPolarHBondContact O-CB 3.38Å; E572-A575 PolarHBondContact O-N 2.82Å; E572-A575 VanDerWaalsContact O-N 3.14Å; E572-Q576 WeakPolarHBondContact O-CB 3.18Å; E572-Q576 PolarHBondContact O-N 3.39Å
573	K	55.8	Low	54	Low	150 Å²	150	116.5 Å²	116.5	65%	0.652	57%	0.572	S	S	*	*	H	α-helix	trans	-63.8	-36	172.8	-164.8	171.4	-170	172.9	0	112.4	Q569 Q576 I577	Q569-K573 WeakPolarHBondContact O-CB 3.26Å; Q569-K573 PolarHBondContact O-N 2.92Å; K573-Q576 WeakPolarHBondContact O-CB 3.43Å; K573-Q576 PolarHBondContact O-N 2.81Å; K573-I577 HydrophobicContact CG-CD1 4.47Å; K573-I577 WeakPolarHBondContact O-CB 3.19Å; K573-I577 WeakPolarHBondContact O-CD1 3.46Å; K573-I577 WeakPolarHBondContact O-CG1 3.32Å; K573-I577 PolarHBondContact O-N 3.05Å
574	A	58	Low	53.8	Low	55 Å²	55	116.4 Å²	116.4	46%	0.455	58%	0.576	S	S	.	*	H	α-helix	trans	-69.4	-34.6	171.9	0	0	0	0	0	112.8	S570 K571 E572 K578	S570-A574 VanDerWaalsContact O-CB 3.27Å; S570-A574 WeakPolarHBondContact O-CB 3.38Å; S570-A574 PolarHBondContact O-N 3.46Å; K571-A574 PolarHBondContact O-N 3.1Å; E572-A574 VanDerWaalsContact C-N 3.35Å; E572-A574 PolarHBondContact O-N 3.46Å; A574-K578 PolarHBondContact O-N 3.05Å
575	A	54.9	Low	53.3	Low	56 Å²	56	116.2 Å²	116.2	46%	0.463	58%	0.575	S	S	.	*	H	α-helix	trans	-68.7	-40.6	171.9	0	0	0	0	0	111.6	K571 E572 I577 K578 S579	K571-A575 WeakPolarHBondContact O-CB 3.2Å; K571-A575 PolarHBondContact O-N 3.15Å; E572-A575 CarbonylContact O-C 3.51Å; E572-A575 WeakPolarHBondContact O-CB 3.38Å; E572-A575 PolarHBondContact O-N 2.82Å; E572-A575 VanDerWaalsContact O-N 3.14Å; A575-I577 VanDerWaalsContact C-N 3.34Å; A575-I577 PolarHBondContact O-N 3.05Å; A575-K578 PolarHBondContact O-N 3.09Å; A575-S579 PolarHBondContact O-N 3.12Å; A575-S579 PolarHBondContact O-OG 3.05Å
576	Q	49.2	Very low	53	Low	110 Å²	110	117 Å²	117	51%	0.514	57%	0.573	S	S	.	*	H	α-helix	trans	-59.9	-42.7	173.5	-159.2	87.6	51.1	0	0	111.6	E572 K573 S579 Q580	E572-Q576 WeakPolarHBondContact O-CB 3.18Å; E572-Q576 PolarHBondContact O-N 3.39Å; K573-Q576 WeakPolarHBondContact O-CB 3.43Å; K573-Q576 PolarHBondContact O-N 2.81Å; Q576-S579 PolarHBondContact O-N 3.31Å; Q576-S579 PolarHBondContact O-OG 2.92Å; Q576-S579 VanDerWaalsContact O-OG 3.06Å; Q576-Q580 WeakPolarHBondContact O-CB 3.42Å; Q576-Q580 WeakPolarHBondContact O-CG 3.36Å; Q576-Q580 PolarHBondContact O-N 3.18Å
577	I	52.2	Low	52.8	Low	114 Å²	114	112.6 Å²	112.6	59%	0.585	56%	0.555	S	S	*	*	H	α-helix	trans	-66.5	-38.1	175.9	-71.5	163.6	0	0	0	111	K573 A575 G581	K573-I577 HydrophobicContact CG-CD1 4.47Å; K573-I577 WeakPolarHBondContact O-CB 3.19Å; K573-I577 WeakPolarHBondContact O-CD1 3.46Å; K573-I577 WeakPolarHBondContact O-CG1 3.32Å; K573-I577 PolarHBondContact O-N 3.05Å; A575-I577 VanDerWaalsContact C-N 3.34Å; A575-I577 PolarHBondContact O-N 3.05Å; I577-G581 PolarHBondContact O-N 3.11Å
578	K	48.2	Very low	52.5	Low	168 Å²	168	110.8 Å²	110.8	73%	0.73	57%	0.566	S	S	*	*	H	α-helix	trans	-64.5	-47.8	172.4	-89.1	-168.3	169.5	-170.5	0	112.4	A574 A575 Q580 G581 E582	A574-K578 PolarHBondContact O-N 3.05Å; A575-K578 PolarHBondContact O-N 3.09Å; K578-Q580 VanDerWaalsContact C-N 3.32Å; K578-Q580 PolarHBondContact O-N 2.97Å; K578-G581 PolarHBondContact O-N 3.45Å; K578-E582 PolarHBondContact O-N 2.94Å
579	S	44.5	Very low	52.1	Low	61 Å²	61	110.3 Å²	110.3	43%	0.427	58%	0.578	S	S	.	*	H	α-helix	trans	-67	-31.6	-179	63.4	0	0	0	0	113	A575 Q576 G581	A575-S579 PolarHBondContact O-N 3.12Å; A575-S579 PolarHBondContact O-OG 3.05Å; Q576-S579 PolarHBondContact O-N 3.31Å; Q576-S579 PolarHBondContact O-OG 2.92Å; Q576-S579 VanDerWaalsContact O-OG 3.06Å; S579-G581 VanDerWaalsContact C-N 3.3Å; S579-G581 PolarHBondContact O-N 3.48Å
580	Q	40.9	Very low	52.5	Low	125 Å²	125	106.8 Å²	106.8	58%	0.584	57%	0.573	S	S	*	*	H	α-helix	trans	-71.1	-21.8	170.3	-75.3	-171	-21.8	0	0	113.6	Q576 K578 F584	Q576-Q580 WeakPolarHBondContact O-CB 3.42Å; Q576-Q580 WeakPolarHBondContact O-CG 3.36Å; Q576-Q580 PolarHBondContact O-N 3.18Å; K578-Q580 VanDerWaalsContact C-N 3.32Å; K578-Q580 PolarHBondContact O-N 2.97Å; Q580-F584 VanDerWaalsContact O-CD2 3.28Å; Q580-F584 WeakPolarHBondContact O-CD2 3.34Å
581	G	41.5	Very low	52.2	Low	43 Å²	43	113 Å²	113	44%	0.443	59%	0.587	S	S	.	*	H	α-helix	trans	-71.5	-37.4	175.8	0	0	0	0	0	113.7	I577 K578 S579 D583	I577-G581 PolarHBondContact O-N 3.11Å; K578-G581 PolarHBondContact O-N 3.45Å; S579-G581 VanDerWaalsContact C-N 3.3Å; S579-G581 PolarHBondContact O-N 3.48Å; G581-D583 PolarHBondContact O-N 2.85Å
582	E	41.7	Very low	52.1	Low	145 Å²	145	109.5 Å²	109.5	68%	0.678	58%	0.578	S	S	*	*	H	α-helix	trans	-74.7	-22.4	-173.6	-64.5	-175.9	125.9	0	0	113.9	K578	K578-E582 PolarHBondContact O-N 2.94Å
583	D	43.5	Very low	52.4	Low	128 Å²	128	107.2 Å²	107.2	68%	0.684	56%	0.564	S	S	*	*	H	α-helix	trans	-75.8	-28.8	-177.6	-157.1	28	0	0	0	112.7	G581 E585 R586	G581-D583 PolarHBondContact O-N 2.85Å; D583-E585 VanDerWaalsContact C-N 3.33Å; D583-E585 PolarHBondContact O-N 3Å; D583-R586 PolarHBondContact O-N 3.43Å
584	F	48.7	Very low	53.4	Low	169 Å²	169	110.2 Å²	110.2	74%	0.741	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-24.9	179.8	-80	-82.3	0	0	0	114.4	Q580 R586 R593	Q580-F584 VanDerWaalsContact O-CD2 3.28Å; Q580-F584 WeakPolarHBondContact O-CD2 3.34Å; F584-R586 VanDerWaalsContact C-N 3.25Å; F584-R586 PolarHBondContact O-N 3.45Å; F584-R593 PolarHBondContact O-NH1 3.19Å
585	E	49.2	Very low	54	Low	101 Å²	101	115 Å²	115	47%	0.472	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.6	-27.3	179.1	-73.8	-133.6	103.8	0	0	113	D583 R593 Q598	D583-E585 VanDerWaalsContact C-N 3.33Å; D583-E585 PolarHBondContact O-N 3Å; E585-R593 PolarHBondContact O-N 2.86Å; E585-Q598 PolarHBondContact OE1-NE2 3.01Å
586	R	53.5	Low	55	Low	136 Å²	136	116.7 Å²	116.7	51%	0.513	59%	0.593	S	S	.	*	B	Isolated β-bridge	trans	-96	147	-176.8	-75.1	-177.9	162.4	93.7	-1.4	112.3	D583 F584 G590 V592 R593	D583-R586 PolarHBondContact O-N 3.43Å; F584-R586 VanDerWaalsContact C-N 3.25Å; F584-R586 PolarHBondContact O-N 3.45Å; R586-G590 WeakPolarHBondContact CD-O 3.48Å; R586-G590 PolarHBondContact NE-O 3.09Å; R586-G590 VanDerWaalsContact NE-O 3.14Å; R586-V592 HydrophobicContact CG-CG2 4.46Å; R586-R593 VanDerWaalsContact C-NH1 3.27Å; R586-R593 PolarHBondContact O-NH1 2.69Å
587	T	56	Low	56.3	Low	41 Å²	41	113.5 Å²	113.5	25%	0.252	59%	0.585	S	S	.	*			trans	-68.7	158	155.9	50.6	0	0	0	0	109.2	S589 G590 R591 R593	T587-S589 PolarHBondContact O-N 2.64Å; T587-G590 PolarHBondContact O-N 3.37Å; T587-R591 PolarHBondContact N-O 3.04Å; T587-R591 PolarHBondContact OG1-N 2.82Å; T587-R591 PolarHBondContact OG1-O 3.09Å; T587-R593 HydrophobicContact CG2-CG 4.03Å
588	P	55.8	Low	57.3	Low	140 Å²	140	110.7 Å²	110.7	91%	0.909	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	-5.6	167	-26.5	36.1	0	0	0	114.7
589	S	55.5	Low	58.8	Low	106 Å²	106	106.5 Å²	106.5	74%	0.741	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	15.2	170.8	-176.5	0	0	0	0	113.2	T587 R591	T587-S589 PolarHBondContact O-N 2.64Å; S589-R591 PolarHBondContact O-N 3.25Å
590	G	62.4	Low	60.3	Low	44 Å²	44	105.8 Å²	105.8	45%	0.454	56%	0.556	S	S	.	*	S	Bend	trans	71.3	-5.4	177.7	0	0	0	0	0	116.4	R586 T587	R586-G590 WeakPolarHBondContact CD-O 3.48Å; R586-G590 PolarHBondContact NE-O 3.09Å; R586-G590 VanDerWaalsContact NE-O 3.14Å; T587-G590 PolarHBondContact O-N 3.37Å
591	R	60.1	Low	62.1	Low	197 Å²	197	103.6 Å²	103.6	74%	0.743	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-91.1	130	-174.8	-169.6	176	-72.6	-177	-3	110.9	T587 S589	T587-R591 PolarHBondContact N-O 3.04Å; T587-R591 PolarHBondContact OG1-N 2.82Å; T587-R591 PolarHBondContact OG1-O 3.09Å; S589-R591 PolarHBondContact O-N 3.25Å
592	V	62.2	Low	64.1	Low	82 Å²	82	107.9 Å²	107.9	50%	0.497	56%	0.557	S	S	.	*	B	Isolated β-bridge	trans	-67	140	179.8	-178.3	0	0	0	0	110.9	R586	R586-V592 HydrophobicContact CG-CG2 4.46Å
593	R	66.9	Low	65.7	Low	81 Å²	81	105.2 Å²	105.2	31%	0.306	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-84.3	149	175.8	-65	-176.1	-177.1	83.7	-4.5	111.1	F584 E585 R586 T587 A597 Q598	F584-R593 PolarHBondContact O-NH1 3.19Å; E585-R593 PolarHBondContact O-N 2.86Å; R586-R593 VanDerWaalsContact C-NH1 3.27Å; R586-R593 PolarHBondContact O-NH1 2.69Å; T587-R593 HydrophobicContact CG2-CG 4.03Å; R593-A597 HydrophobicContact CB-CB 4.41Å; R593-Q598 HydrophobicContact CB-CG 3.99Å
594	R	76.3	Confident	67.4	Low	212 Å²	212	104.7 Å²	104.7	80%	0.8	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-66.7	147.8	168.5	-66	180	178.7	172.2	-1.6	109.7	S596 A597 Q598	R594-S596 VanDerWaalsContact C-N 3.29Å; R594-S596 PolarHBondContact O-N 3Å; R594-A597 WeakPolarHBondContact O-CA 3.22Å; R594-A597 WeakPolarHBondContact O-CB 3.32Å; R594-A597 PolarHBondContact O-N 3.02Å; R594-Q598 PolarHBondContact O-N 3.4Å; R594-Q598 VanDerWaalsContact O-N 3.09Å
595	Q	70.7	Confident	68.8	Low	156 Å²	156	101.5 Å²	101.5	73%	0.729	53%	0.528	S	S	*	.	H	α-helix	trans	-51.8	-41.7	-178.2	-73.6	174.8	-27.4	0	0	114	A597 Q598 V599	Q595-A597 PolarHBondContact O-N 3.37Å; Q595-Q598 WeakPolarHBondContact O-CB 3.41Å; Q595-Q598 PolarHBondContact O-N 2.92Å; Q595-V599 WeakPolarHBondContact O-CG2 3.47Å; Q595-V599 PolarHBondContact O-N 2.99Å
596	S	76.4	Confident	70.2	Confident	92 Å²	92	101.3 Å²	101.3	64%	0.643	53%	0.527	S	S	*	.	H	α-helix	trans	-61.4	-29.9	175.7	53.5	0	0	0	0	113.8	R594 A600	R594-S596 VanDerWaalsContact C-N 3.29Å; R594-S596 PolarHBondContact O-N 3Å; S596-A600 VanDerWaalsContact O-CB 3.29Å; S596-A600 WeakPolarHBondContact O-CB 3.39Å; S596-A600 PolarHBondContact O-N 2.83Å
597	A	75	Confident	71.2	Confident	42 Å²	42	99.7 Å²	99.7	35%	0.347	53%	0.528	S	S	.	.	H	α-helix	trans	-82.1	-25.8	173.9	0	0	0	0	0	112.8	R593 R594 Q595 V601	R593-A597 HydrophobicContact CB-CB 4.41Å; R594-A597 WeakPolarHBondContact O-CA 3.22Å; R594-A597 WeakPolarHBondContact O-CB 3.32Å; R594-A597 PolarHBondContact O-N 3.02Å; Q595-A597 PolarHBondContact O-N 3.37Å; A597-V601 VanDerWaalsContact O-CG2 3.27Å; A597-V601 WeakPolarHBondContact O-CG2 3.43Å; A597-V601 PolarHBondContact O-N 2.94Å; A597-V601 VanDerWaalsContact O-N 3.15Å
598	Q	74.5	Confident	72.1	Confident	56 Å²	56	100.3 Å²	100.3	26%	0.262	54%	0.537	S	S	.	.	H	α-helix	trans	-67.6	-49.8	169.2	-65.9	171.2	-43.2	0	0	110	E585 R593 R594 Q595 A600 V601 F602	E585-Q598 PolarHBondContact OE1-NE2 3.01Å; R593-Q598 HydrophobicContact CB-CG 3.99Å; R594-Q598 PolarHBondContact O-N 3.4Å; R594-Q598 VanDerWaalsContact O-N 3.09Å; Q595-Q598 WeakPolarHBondContact O-CB 3.41Å; Q595-Q598 PolarHBondContact O-N 2.92Å; Q598-A600 PolarHBondContact O-N 3.39Å; Q598-V601 PolarHBondContact O-N 3.12Å; Q598-V601 VanDerWaalsContact O-N 3.16Å; Q598-F602 PolarHBondContact O-N 3.37Å
599	V	79.1	Confident	73	Confident	79 Å²	79	99 Å²	99	48%	0.479	52%	0.519	S	S	.	.	H	α-helix	trans	-61.1	-41.4	176.7	173.6	0	0	0	0	111.9	Q595 V601 F602 H603	Q595-V599 WeakPolarHBondContact O-CG2 3.47Å; Q595-V599 PolarHBondContact O-N 2.99Å; V599-V601 PolarHBondContact O-N 3.28Å; V599-F602 PolarHBondContact O-N 3.3Å; V599-H603 PolarHBondContact O-CD2 2.66Å; V599-H603 PolarHBondContact O-N 3.21Å
600	A	75.8	Confident	73.8	Confident	47 Å²	47	98.2 Å²	98.2	39%	0.388	51%	0.507	S	S	.	.	H	α-helix	trans	-63.6	-38.3	174.9	0	0	0	0	0	112.8	S596 Q598 L604	S596-A600 VanDerWaalsContact O-CB 3.29Å; S596-A600 WeakPolarHBondContact O-CB 3.39Å; S596-A600 PolarHBondContact O-N 2.83Å; Q598-A600 PolarHBondContact O-N 3.39Å; A600-L604 WeakPolarHBondContact O-CB 3.47Å; A600-L604 WeakPolarHBondContact O-CD1 3.37Å; A600-L604 WeakPolarHBondContact O-CG 3.14Å; A600-L604 PolarHBondContact O-N 3.47Å
601	V	79.6	Confident	74.1	Confident	78 Å²	78	101.3 Å²	101.3	47%	0.473	51%	0.509	S	S	.	.	H	α-helix	trans	-68.3	-39.3	174.4	167.6	0	0	0	0	111.3	A597 Q598 V599 L604 Q605	A597-V601 VanDerWaalsContact O-CG2 3.27Å; A597-V601 WeakPolarHBondContact O-CG2 3.43Å; A597-V601 PolarHBondContact O-N 2.94Å; A597-V601 VanDerWaalsContact O-N 3.15Å; Q598-V601 PolarHBondContact O-N 3.12Å; Q598-V601 VanDerWaalsContact O-N 3.16Å; V599-V601 PolarHBondContact O-N 3.28Å; V601-L604 PolarHBondContact O-N 3.25Å; V601-Q605 WeakPolarHBondContact O-CB 3.15Å; V601-Q605 PolarHBondContact O-N 3.49Å
602	F	82.6	Confident	74.2	Confident	133 Å²	133	96.4 Å²	96.4	58%	0.583	50%	0.497	S	S	*	.	H	α-helix	trans	-58.1	-53.2	174.9	-177.9	-89.5	0	0	0	111.4	Q598 V599 L604 Q605 E606	Q598-F602 PolarHBondContact O-N 3.37Å; V599-F602 PolarHBondContact O-N 3.3Å; F602-L604 VanDerWaalsContact C-N 3.33Å; F602-L604 PolarHBondContact O-N 2.83Å; F602-Q605 WeakPolarHBondContact O-CB 3.25Å; F602-Q605 PolarHBondContact O-N 3.33Å; F602-Q605 VanDerWaalsContact O-N 3.16Å; F602-E606 WeakPolarHBondContact O-CB 3.45Å; F602-E606 PolarHBondContact O-N 3.17Å
603	H	76.3	Confident	74.4	Confident	90 Å²	90	95.3 Å²	95.3	42%	0.417	50%	0.497	S	S	.	.	H	α-helix	trans	-67.1	-30.5	178.8	-67.8	-51.1	0	0	0	113.4	V599 E606 I607	V599-H603 PolarHBondContact O-CD2 2.66Å; V599-H603 PolarHBondContact O-N 3.21Å; H603-E606 IonicContact CE1-OE2 2.68Å; H603-E606 IonicContact CG-OE2 3.51Å; H603-E606 IonicContact ND1-OE2 2.69Å; H603-E606 PolarHBondContact ND1-OE2 2.83Å; H603-I607 WeakPolarHBondContact O-CB 3.36Å; H603-I607 WeakPolarHBondContact O-CD1 3.18Å; H603-I607 WeakPolarHBondContact O-CG1 3.41Å; H603-I607 PolarHBondContact O-N 3.24Å
604	L	79.3	Confident	74.4	Confident	117 Å²	117	95.9 Å²	95.9	61%	0.613	50%	0.502	S	S	*	.	H	α-helix	trans	-69.4	-34.6	172.7	-75.2	169.2	0	0	0	112.3	A600 V601 F602 A608	A600-L604 WeakPolarHBondContact O-CB 3.47Å; A600-L604 WeakPolarHBondContact O-CD1 3.37Å; A600-L604 WeakPolarHBondContact O-CG 3.14Å; A600-L604 PolarHBondContact O-N 3.47Å; V601-L604 PolarHBondContact O-N 3.25Å; F602-L604 VanDerWaalsContact C-N 3.33Å; F602-L604 PolarHBondContact O-N 2.83Å; L604-A608 VanDerWaalsContact O-CB 3.27Å; L604-A608 WeakPolarHBondContact O-CB 3.27Å; L604-A608 PolarHBondContact O-N 3.03Å
605	Q	76.7	Confident	73.3	Confident	102 Å²	102	88.8 Å²	88.8	48%	0.477	48%	0.479	S	S	.	.	H	α-helix	trans	-70.2	-45.3	173.2	-174.6	65.3	24.4	0	0	111	V601 F602 I607 A608 E609	V601-Q605 WeakPolarHBondContact O-CB 3.15Å; V601-Q605 PolarHBondContact O-N 3.49Å; F602-Q605 WeakPolarHBondContact O-CB 3.25Å; F602-Q605 PolarHBondContact O-N 3.33Å; F602-Q605 VanDerWaalsContact O-N 3.16Å; Q605-I607 PolarHBondContact O-N 2.95Å; Q605-A608 WeakPolarHBondContact O-CB 3.25Å; Q605-A608 PolarHBondContact O-N 2.87Å; Q605-A608 VanDerWaalsContact O-N 3.13Å; Q605-E609 WeakPolarHBondContact CG-OE1 3.31Å; Q605-E609 PolarHBondContact NE2-OE1 2.91Å; Q605-E609 WeakPolarHBondContact O-CB 3.4Å; Q605-E609 WeakPolarHBondContact O-CG 3.25Å; Q605-E609 PolarHBondContact O-N 2.85Å
606	E	78.9	Confident	72.5	Confident	96 Å²	96	89 Å²	89	45%	0.449	47%	0.473	S	S	.	.	H	α-helix	trans	-56.2	-49.6	174.5	-176.6	177.6	-143.5	0	0	111.3	F602 H603 A608 E609 D610	F602-E606 WeakPolarHBondContact O-CB 3.45Å; F602-E606 PolarHBondContact O-N 3.17Å; H603-E606 IonicContact CE1-OE2 2.68Å; H603-E606 IonicContact CG-OE2 3.51Å; H603-E606 IonicContact ND1-OE2 2.69Å; H603-E606 PolarHBondContact ND1-OE2 2.83Å; E606-A608 VanDerWaalsContact C-N 3.35Å; E606-A608 PolarHBondContact O-N 2.84Å; E606-E609 PolarHBondContact O-N 3.43Å; E606-D610 WeakPolarHBondContact O-CB 3.11Å; E606-D610 PolarHBondContact O-N 2.83Å
607	I	75.9	Confident	71.4	Confident	103 Å²	103	86.5 Å²	86.5	53%	0.528	46%	0.463	S	S	.	.	H	α-helix	trans	-61.3	-41.8	174.3	-69.8	165	0	0	0	111.2	H603 Q605 D610 E611	H603-I607 WeakPolarHBondContact O-CB 3.36Å; H603-I607 WeakPolarHBondContact O-CD1 3.18Å; H603-I607 WeakPolarHBondContact O-CG1 3.41Å; H603-I607 PolarHBondContact O-N 3.24Å; Q605-I607 PolarHBondContact O-N 2.95Å; I607-D610 PolarHBondContact O-N 3.17Å; I607-E611 HydrophobicContact CG2-CG 4.42Å; I607-E611 WeakPolarHBondContact O-CB 3.34Å; I607-E611 WeakPolarHBondContact O-CG 3.32Å; I607-E611 PolarHBondContact O-N 2.62Å
608	A	73.5	Confident	70.2	Confident	54 Å²	54	88.3 Å²	88.3	45%	0.446	47%	0.47	S	S	.	.	H	α-helix	trans	-65.1	-40.8	179	0	0	0	0	0	112.4	L604 Q605 E606 L612	L604-A608 VanDerWaalsContact O-CB 3.27Å; L604-A608 WeakPolarHBondContact O-CB 3.27Å; L604-A608 PolarHBondContact O-N 3.03Å; Q605-A608 WeakPolarHBondContact O-CB 3.25Å; Q605-A608 PolarHBondContact O-N 2.87Å; Q605-A608 VanDerWaalsContact O-N 3.13Å; E606-A608 VanDerWaalsContact C-N 3.35Å; E606-A608 PolarHBondContact O-N 2.84Å; A608-L612 VanDerWaalsContact O-CB 3.27Å; A608-L612 WeakPolarHBondContact O-CB 3.37Å; A608-L612 PolarHBondContact O-N 2.82Å
609	E	74.3	Confident	69.1	Low	113 Å²	113	91.4 Å²	91.4	53%	0.528	48%	0.482	S	S	.	.	H	α-helix	trans	-71.1	-37.7	176.8	-73.2	177.9	-165.8	0	0	112.2	Q605 E606 L612 A613	Q605-E609 WeakPolarHBondContact CG-OE1 3.31Å; Q605-E609 PolarHBondContact NE2-OE1 2.91Å; Q605-E609 WeakPolarHBondContact O-CB 3.4Å; Q605-E609 WeakPolarHBondContact O-CG 3.25Å; Q605-E609 PolarHBondContact O-N 2.85Å; E606-E609 PolarHBondContact O-N 3.43Å; E609-L612 CarbonylContact O-C 3.56Å; E609-L612 WeakPolarHBondContact O-CB 3.29Å; E609-L612 PolarHBondContact O-N 3.44Å; E609-A613 WeakPolarHBondContact O-CB 3.25Å; E609-A613 PolarHBondContact O-N 3.36Å
610	D	72.4	Confident	67.3	Low	89 Å²	89	95 Å²	95	48%	0.476	49%	0.487	S	S	.	.	H	α-helix	trans	-72.3	-37.5	178.7	-165.3	45.6	0	0	0	111.7	E606 I607 A613 K614	E606-D610 WeakPolarHBondContact O-CB 3.11Å; E606-D610 PolarHBondContact O-N 2.83Å; I607-D610 PolarHBondContact O-N 3.17Å; D610-A613 PolarHBondContact O-N 2.75Å; D610-K614 VanDerWaalsContact CG-NZ 3.26Å; D610-K614 VanDerWaalsContact O-CD 3.31Å; D610-K614 WeakPolarHBondContact O-CD 3.32Å; D610-K614 VanDerWaalsContact O-CE 3.32Å; D610-K614 WeakPolarHBondContact O-CE 3.47Å; D610-K614 WeakPolarHBondContact O-CG 3.35Å; D610-K614 PolarHBondContact O-N 2.91Å; D610-K614 VanDerWaalsContact O-N 3.16Å; D610-K614 PolarHBondContact O-NZ 3.28Å; D610-K614 IonicContact OD1-NZ 3.46Å; D610-K614 WeakPolarHBondContact OD2-CE 3.34Å; D610-K614 IonicContact OD2-NZ 3.63Å; D610-K614 PolarHBondContact OD2-NZ 3.42Å
611	E	70.6	Confident	65.7	Low	108 Å²	108	102.2 Å²	102.2	51%	0.505	50%	0.504	S	S	.	.	H	α-helix	trans	-64.3	-40	166.8	-71.9	-60.4	106.5	0	0	111.9	I607 A613 K614 D615	I607-E611 HydrophobicContact CG2-CG 4.42Å; I607-E611 WeakPolarHBondContact O-CB 3.34Å; I607-E611 WeakPolarHBondContact O-CG 3.32Å; I607-E611 PolarHBondContact O-N 2.62Å; E611-A613 PolarHBondContact O-N 3.23Å; E611-K614 PolarHBondContact O-N 3.44Å; E611-K614 WeakPolarHBondContact OE1-CD 3.46Å; E611-K614 IonicContact OE1-NZ 2.75Å; E611-K614 PolarHBondContact OE1-NZ 3.5Å; E611-D615 VanDerWaalsContact O-CB 3.32Å; E611-D615 WeakPolarHBondContact O-CB 3.48Å; E611-D615 PolarHBondContact O-N 3.35Å
612	L	60.2	Low	64.2	Low	94 Å²	94	104.5 Å²	104.5	49%	0.492	51%	0.513	S	S	.	.	H	α-helix	trans	-62.5	-42.9	175.2	-159	68.6	0	0	0	110.9	A608 E609 D615 W616	A608-L612 VanDerWaalsContact O-CB 3.27Å; A608-L612 WeakPolarHBondContact O-CB 3.37Å; A608-L612 PolarHBondContact O-N 2.82Å; E609-L612 CarbonylContact O-C 3.56Å; E609-L612 WeakPolarHBondContact O-CB 3.29Å; E609-L612 PolarHBondContact O-N 3.44Å; L612-D615 PolarHBondContact O-N 2.94Å; L612-W616 WeakPolarHBondContact O-CB 3.36Å; L612-W616 PolarHBondContact O-N 3.16Å
613	A	66.6	Low	62.1	Low	60 Å²	60	105.9 Å²	105.9	50%	0.496	52%	0.518	S	S	.	.	H	α-helix	trans	-61	-46.3	178	0	0	0	0	0	112.5	E609 D610 E611 D615 W616 G617	E609-A613 WeakPolarHBondContact O-CB 3.25Å; E609-A613 PolarHBondContact O-N 3.36Å; D610-A613 PolarHBondContact O-N 2.75Å; E611-A613 PolarHBondContact O-N 3.23Å; A613-D615 VanDerWaalsContact C-N 3.32Å; A613-D615 PolarHBondContact O-N 3.27Å; A613-W616 PolarHBondContact O-N 3.49Å; A613-G617 PolarHBondContact O-N 2.78Å
614	K	67.6	Low	60.2	Low	93 Å²	93	107.2 Å²	107.2	40%	0.404	53%	0.529	S	S	.	.	H	α-helix	trans	-59.2	-42.5	175.6	-66.5	159.9	-158.7	137	0	111.8	D610 E611 T618	D610-K614 VanDerWaalsContact CG-NZ 3.26Å; D610-K614 VanDerWaalsContact O-CD 3.31Å; D610-K614 WeakPolarHBondContact O-CD 3.32Å; D610-K614 VanDerWaalsContact O-CE 3.32Å; D610-K614 WeakPolarHBondContact O-CE 3.47Å; D610-K614 WeakPolarHBondContact O-CG 3.35Å; D610-K614 PolarHBondContact O-N 2.91Å; D610-K614 VanDerWaalsContact O-N 3.16Å; D610-K614 PolarHBondContact O-NZ 3.28Å; D610-K614 IonicContact OD1-NZ 3.46Å; D610-K614 WeakPolarHBondContact OD2-CE 3.34Å; D610-K614 IonicContact OD2-NZ 3.63Å; D610-K614 PolarHBondContact OD2-NZ 3.42Å; E611-K614 PolarHBondContact O-N 3.44Å; E611-K614 WeakPolarHBondContact OE1-CD 3.46Å; E611-K614 IonicContact OE1-NZ 2.75Å; E611-K614 PolarHBondContact OE1-NZ 3.5Å; K614-T618 WeakPolarHBondContact O-CB 3.47Å; K614-T618 PolarHBondContact O-N 3.4Å; K614-T618 VanDerWaalsContact O-N 3.11Å; K614-T618 PolarHBondContact O-OG1 3.18Å
615	D	53.1	Low	58.6	Low	62 Å²	62	107.4 Å²	107.4	33%	0.332	53%	0.53	S	S	.	.	H	α-helix	trans	-73.3	-36.3	-178.2	-164.9	27.5	0	0	0	112.1	E611 L612 A613 T618 K619	E611-D615 VanDerWaalsContact O-CB 3.32Å; E611-D615 WeakPolarHBondContact O-CB 3.48Å; E611-D615 PolarHBondContact O-N 3.35Å; L612-D615 PolarHBondContact O-N 2.94Å; A613-D615 VanDerWaalsContact C-N 3.32Å; A613-D615 PolarHBondContact O-N 3.27Å; D615-T618 PolarHBondContact O-N 3.47Å; D615-K619 VanDerWaalsContact O-CB 3.23Å; D615-K619 WeakPolarHBondContact O-CB 3.34Å; D615-K619 WeakPolarHBondContact O-CG 3.46Å; D615-K619 PolarHBondContact O-N 3.09Å; D615-K619 VanDerWaalsContact OD1-CD 3.3Å; D615-K619 WeakPolarHBondContact OD1-CD 3.35Å; D615-K619 WeakPolarHBondContact OD1-CE 3.4Å; D615-K619 IonicContact OD1-NZ 2.63Å; D615-K619 PolarHBondContact OD1-NZ 2.86Å; D615-K619 VanDerWaalsContact OD1-NZ 3.12Å; D615-K619 WeakPolarHBondContact OD2-CE 3.3Å; D615-K619 IonicContact OD2-NZ 3.99Å; D615-K619 PolarHBondContact OD2-NZ 2.65Å
616	W	54	Low	57.2	Low	160 Å²	160	109.6 Å²	109.6	61%	0.606	54%	0.544	S	S	*	.	H	α-helix	trans	-72.3	-26.5	174.5	-86.3	73.1	0	0	0	114.4	L612 A613 R620	L612-W616 WeakPolarHBondContact O-CB 3.36Å; L612-W616 PolarHBondContact O-N 3.16Å; A613-W616 PolarHBondContact O-N 3.49Å; W616-R620 PolarHBondContact O-NE 3.21Å
617	G	52.4	Low	55.5	Low	41 Å²	41	108.5 Å²	108.5	42%	0.423	54%	0.544	S	S	.	.	H	α-helix	trans	-70.6	-47.9	167.8	0	0	0	0	0	111.6	A613	A613-G617 PolarHBondContact O-N 2.78Å
618	T	51.7	Low	53.9	Low	79 Å²	79	106.6 Å²	106.6	49%	0.485	54%	0.538	S	S	.	.	H	α-helix	trans	-67.1	-43.5	-177.2	-56.3	0	0	0	0	112.4	K614 D615 R620 I622	K614-T618 WeakPolarHBondContact O-CB 3.47Å; K614-T618 PolarHBondContact O-N 3.4Å; K614-T618 VanDerWaalsContact O-N 3.11Å; K614-T618 PolarHBondContact O-OG1 3.18Å; D615-T618 PolarHBondContact O-N 3.47Å; T618-R620 PolarHBondContact O-N 2.93Å; T618-I622 HydrophobicContact CG2-CD1 3.9Å; T618-I622 WeakPolarHBondContact O-CG1 3.2Å; T618-I622 PolarHBondContact O-N 2.86Å
619	K	50.2	Low	52.6	Low	122 Å²	122	107 Å²	107	53%	0.53	53%	0.533	S	S	.	.	H	α-helix	trans	-70.7	-23.1	-178.9	-76.5	171.7	172.8	163.2	0	114.5	D615 K623	D615-K619 VanDerWaalsContact O-CB 3.23Å; D615-K619 WeakPolarHBondContact O-CB 3.34Å; D615-K619 WeakPolarHBondContact O-CG 3.46Å; D615-K619 PolarHBondContact O-N 3.09Å; D615-K619 VanDerWaalsContact OD1-CD 3.3Å; D615-K619 WeakPolarHBondContact OD1-CD 3.35Å; D615-K619 WeakPolarHBondContact OD1-CE 3.4Å; D615-K619 IonicContact OD1-NZ 2.63Å; D615-K619 PolarHBondContact OD1-NZ 2.86Å; D615-K619 VanDerWaalsContact OD1-NZ 3.12Å; D615-K619 WeakPolarHBondContact OD2-CE 3.3Å; D615-K619 IonicContact OD2-NZ 3.99Å; D615-K619 PolarHBondContact OD2-NZ 2.65Å; K619-K623 WeakPolarHBondContact O-CB 3.26Å; K619-K623 PolarHBondContact O-N 3.39Å
620	R	42.5	Very low	51.7	Low	153 Å²	153	105.2 Å²	105.2	58%	0.577	53%	0.533	S	S	*	.	H	α-helix	trans	-73.9	-54.6	172.5	-87.1	-173.4	-77	-173.5	-3.6	111.7	W616 T618 I622 K623 D624	W616-R620 PolarHBondContact O-NE 3.21Å; T618-R620 PolarHBondContact O-N 2.93Å; R620-I622 PolarHBondContact O-N 3.16Å; R620-I622 VanDerWaalsContact O-N 3.11Å; R620-K623 PolarHBondContact O-N 3.25Å; R620-D624 PolarHBondContact O-N 3.4Å
621	R	41.5	Very low	51	Low	200 Å²	200	108.9 Å²	108.9	76%	0.755	55%	0.545	S	S	*	.	H	α-helix	trans	-47.1	-46.6	174.5	-84.3	-166.9	174.6	-165.2	0.5	112.3	K623 D625	R621-K623 PolarHBondContact O-N 3.12Å; R621-D625 WeakPolarHBondContact O-CB 3.3Å; R621-D625 PolarHBondContact O-N 3.39Å
622	I	48.2	Very low	50.9	Low	126 Å²	126	109.5 Å²	109.5	65%	0.646	54%	0.542	S	S	*	.	H	α-helix	trans	-75	-17.9	-176	-67.4	174.5	0	0	0	113.8	T618 R620	T618-I622 HydrophobicContact CG2-CD1 3.9Å; T618-I622 WeakPolarHBondContact O-CG1 3.2Å; T618-I622 PolarHBondContact O-N 2.86Å; R620-I622 PolarHBondContact O-N 3.16Å; R620-I622 VanDerWaalsContact O-N 3.11Å
623	K	37.8	Very low	51.7	Low	161 Å²	161	105.2 Å²	105.2	70%	0.7	52%	0.52	S	S	*	.	H	α-helix	trans	-95.3	-35	176	-100.9	-179.2	172.8	178.3	0	114	K619 R620 R621	K619-K623 WeakPolarHBondContact O-CB 3.26Å; K619-K623 PolarHBondContact O-N 3.39Å; R620-K623 PolarHBondContact O-N 3.25Å; R621-K623 PolarHBondContact O-N 3.12Å
624	D	36.4	Very low	52.2	Low	119 Å²	119	103 Å²	103	64%	0.636	50%	0.5	S	S	*	.	H	α-helix	trans	-74.8	-30.9	-179.7	-65.6	-52.1	0	0	0	111.7	R620 L626	R620-D624 PolarHBondContact O-N 3.4Å; D624-L626 PolarHBondContact O-N 2.9Å; D624-L626 VanDerWaalsContact O-N 3.07Å
625	D	45.8	Very low	52.8	Low	121 Å²	121	98.6 Å²	98.6	65%	0.647	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	16.7	177.4	-81.8	-30.4	0	0	0	115.3	R621 V627	R621-D625 WeakPolarHBondContact O-CB 3.3Å; R621-D625 PolarHBondContact O-N 3.39Å; D625-V627 PolarHBondContact O-N 2.9Å
626	L	48.4	Very low	54	Low	147 Å²	147	98.4 Å²	98.4	77%	0.77	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-7.6	170	-84.8	171.2	0	0	0	113.7	D624	D624-L626 PolarHBondContact O-N 2.9Å; D624-L626 VanDerWaalsContact O-N 3.07Å
627	V	41.6	Very low	54.9	Low	74 Å²	74	95.6 Å²	95.6	45%	0.448	47%	0.471	S	S	.	.	S	Bend	trans	-118.8	118.8	166.5	176.7	0	0	0	0	107.9	D625 D629	D625-V627 PolarHBondContact O-N 2.9Å; V627-D629 PolarHBondContact O-N 2.64Å
628	P	43.3	Very low	55.5	Low	62 Å²	62	95.2 Å²	95.2	40%	0.403	46%	0.461	S	S	.	.			trans	-56	127.5	174.1	-25.6	34.6	0	0	0	111.1	S630 F723	P628-S630 PolarHBondContact O-N 3.46Å; P628-F723 HydrophobicContact CB-CE1 3.89Å; P628-F723 HydrophobicContact CG-CE1 4.25Å; P628-F723 HydrophobicContact CG-CZ 4.47Å
629	D	46.3	Very low	55.3	Low	64 Å²	64	94.9 Å²	94.9	34%	0.342	47%	0.473	S	S	.	.			trans	-40	125.3	-178	-179.3	-0	0	0	0	111.7	V627 K631 R632	V627-D629 PolarHBondContact O-N 2.64Å; D629-K631 PolarHBondContact O-N 3.23Å; D629-K631 VanDerWaalsContact O-N 3.1Å; D629-K631 WeakPolarHBondContact OD1-CB 3.37Å; D629-K631 VanDerWaalsContact OD1-CG 3.32Å; D629-K631 WeakPolarHBondContact OD1-CG 3.38Å; D629-K631 PolarHBondContact OD1-N 3Å; D629-R632 HydrophobicContact CB-CG 4.21Å; D629-R632 WeakPolarHBondContact O-CA 3.27Å; D629-R632 WeakPolarHBondContact O-CB 3.4Å; D629-R632 PolarHBondContact O-N 3.2Å
630	S	55.9	Low	55.2	Low	75 Å²	75	93.2 Å²	93.2	52%	0.524	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-58	-27.6	-177.3	56.3	0	0	0	0	112.5	P628 R632 L633	P628-S630 PolarHBondContact O-N 3.46Å; S630-R632 PolarHBondContact O-N 3.01Å; S630-L633 WeakPolarHBondContact O-CB 3.23Å; S630-L633 PolarHBondContact O-N 3.46Å; S630-L633 VanDerWaalsContact O-N 3.07Å
631	K	57.8	Low	55.7	Low	165 Å²	165	89.4 Å²	89.4	72%	0.717	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-63.7	-22	174.1	-57.8	167.7	-159.5	155.3	0	113	D629 R724	D629-K631 PolarHBondContact O-N 3.23Å; D629-K631 VanDerWaalsContact O-N 3.1Å; D629-K631 WeakPolarHBondContact OD1-CB 3.37Å; D629-K631 VanDerWaalsContact OD1-CG 3.32Å; D629-K631 WeakPolarHBondContact OD1-CG 3.38Å; D629-K631 PolarHBondContact OD1-N 3Å; K631-R724 WeakPolarHBondContact O-CD 3.33Å
632	R	67.4	Low	56.2	Low	121 Å²	121	87.8 Å²	87.8	46%	0.457	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-90	1.4	176.3	-58.7	-177.3	68.1	-164.3	0.7	113.1	D629 S630 F723 R724	D629-R632 HydrophobicContact CB-CG 4.21Å; D629-R632 WeakPolarHBondContact O-CA 3.27Å; D629-R632 WeakPolarHBondContact O-CB 3.4Å; D629-R632 PolarHBondContact O-N 3.2Å; S630-R632 PolarHBondContact O-N 3.01Å; R632-F723 CarbonylContact O-C 3.58Å; R632-F723 VanDerWaalsContact O-CA 3.29Å; R632-F723 WeakPolarHBondContact O-CA 3.48Å; R632-R724 PolarHBondContact O-N 3.03Å
633	L	77.3	Confident	57.1	Low	5 Å²	5	83.4 Å²	83.4	3%	0.026	45%	0.447	C	S	.	.	B	Isolated β-bridge	trans	-96.1	154.6	178.2	-58.8	174.2	0	0	0	111.6	S630 Y635 W722 F723 R724	S630-L633 WeakPolarHBondContact O-CB 3.23Å; S630-L633 PolarHBondContact O-N 3.46Å; S630-L633 VanDerWaalsContact O-N 3.07Å; L633-Y635 VanDerWaalsContact C-N 3.3Å; L633-Y635 HydrophobicContact CB-CD1 4.31Å; L633-Y635 HydrophobicContact CB-CE1 4.28Å; L633-Y635 WeakPolarHBondContact CB-O 3.47Å; L633-Y635 HydrophobicContact CD1-CE1 4.22Å; L633-Y635 HydrophobicContact CD1-CE2 4.08Å; L633-Y635 HydrophobicContact CD2-CE1 4.11Å; L633-Y635 HydrophobicContact CG-CE1 4.45Å; L633-W722 HydrophobicContact CD2-CE3 3.84Å; L633-W722 HydrophobicContact CD2-CZ3 3.89Å; L633-F723 HydrophobicContact CD2-CD1 3.84Å; L633-F723 HydrophobicContact CD2-CE1 3.81Å; L633-R724 PolarHBondContact O-NE 3.25Å
634	N	77.4	Confident	58.5	Low	12 Å²	12	78.2 Å²	78.2	6%	0.064	43%	0.432	C	S	.	.	S	Bend	trans	-93.9	15.8	168.9	-78.7	-37.8	0	0	0	112.6	L698 I699 I714 N721 W722 F723 R724	N634-L698 WeakPolarHBondContact O-CB 3.42Å; N634-L698 PolarHBondContact O-N 2.98Å; N634-I699 HydrophobicContact CB-CD1 4.02Å; N634-I699 HydrophobicContact CB-CG1 4.17Å; N634-I714 HydrophobicContact CB-CD1 4.07Å; N634-I714 HydrophobicContact CB-CG2 4.45Å; N634-I714 VanDerWaalsContact O-CD1 3.28Å; N634-I714 WeakPolarHBondContact O-CD1 3.42Å; N634-N721 PolarHBondContact ND2-O 3.06Å; N634-W722 PolarHBondContact N-O 3.44Å; N634-F723 PolarHBondContact ND2-O 2.94Å; N634-R724 WeakPolarHBondContact OD1-CG 3.16Å; N634-R724 PolarHBondContact OD1-NE 3.37Å
635	Y	80	Confident	60.3	Low	2 Å²	2	77.4 Å²	77.4	1%	0.008	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	150.3	168.9	62.9	-85.5	0	0	0	110.9	L633 Y695 T696 E707 V710 K711 I714 W722	L633-Y635 VanDerWaalsContact C-N 3.3Å; L633-Y635 HydrophobicContact CB-CD1 4.31Å; L633-Y635 HydrophobicContact CB-CE1 4.28Å; L633-Y635 WeakPolarHBondContact CB-O 3.47Å; L633-Y635 HydrophobicContact CD1-CE1 4.22Å; L633-Y635 HydrophobicContact CD1-CE2 4.08Å; L633-Y635 HydrophobicContact CD2-CE1 4.11Å; L633-Y635 HydrophobicContact CG-CE1 4.45Å; Y635-Y695 HydrophobicContact CD2-CD1 4.08Å; Y635-Y695 HydrophobicContact CE2-CD1 4.14Å; Y635-T696 CarbonylContact C-O 3.59Å; Y635-T696 WeakPolarHBondContact CA-O 3.3Å; Y635-T696 WeakPolarHBondContact CB-O 3.47Å; Y635-E707 HydrophobicContact CE2-CG 3.8Å; Y635-E707 VanDerWaalsContact OH-CD 3.26Å; Y635-E707 PolarHBondContact OH-OE1 2.72Å; Y635-V710 HydrophobicContact CD1-CG1 4.03Å; Y635-V710 HydrophobicContact CD2-CG1 3.66Å; Y635-V710 HydrophobicContact CE2-CG1 4.25Å; Y635-V710 HydrophobicContact CG-CG1 3.54Å; Y635-V710 HydrophobicContact CG-CG2 4.26Å; Y635-K711 HydrophobicContact CE1-CG 3.94Å; Y635-K711 WeakPolarHBondContact OH-CE 3.45Å; Y635-K711 PolarHBondContact OH-NZ 2.87Å; Y635-I714 HydrophobicContact CD1-CD1 3.94Å; Y635-I714 HydrophobicContact CG-CD1 4.4Å; Y635-W722 HydrophobicContact CE1-CB 4.49Å; Y635-W722 AromaticContact CE1-CE3 3.98Å; Y635-W722 HydrophobicContact CE1-CE3 3.98Å
636	T	77.8	Confident	61.5	Low	58 Å²	58	78.9 Å²	78.9	36%	0.356	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128	168.6	-36.5	0	0	0	0	108.3	Y695 T696 L698	T636-Y695 WeakPolarHBondContact O-CA 3.41Å; T636-T696 VanDerWaalsContact CB-OG1 3.22Å; T636-T696 WeakPolarHBondContact CB-OG1 3.28Å; T636-T696 PolarHBondContact N-O 3.21Å; T636-T696 PolarHBondContact OG1-OG1 3.07Å; T636-L698 WeakPolarHBondContact OG1-CD2 3.18Å
637	R	73.4	Confident	62.9	Low	100 Å²	100	74.9 Å²	74.9	38%	0.377	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-79.5	135.8	161.4	-176.3	177	-77.2	159.4	-5.4	107.8	G639 Y695 E707	R637-G639 PolarHBondContact O-N 3.4Å; R637-Y695 HydrophobicContact CB-CE1 4.48Å; R637-Y695 HydrophobicContact CG-CE1 3.95Å; R637-E707 IonicContact CZ-OE2 3.09Å; R637-E707 IonicContact NE-OE2 3.49Å; R637-E707 PolarHBondContact NE-OE2 3.35Å; R637-E707 IonicContact NH2-OE1 2.89Å; R637-E707 PolarHBondContact NH2-OE1 3.18Å; R637-E707 IonicContact NH2-OE2 2.69Å; R637-E707 PolarHBondContact NH2-OE2 3.46Å
638	P	65.1	Low	64.8	Low	34 Å²	34	73.2 Å²	73.2	22%	0.221	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-49.1	134.2	174.9	-29.3	36.7	0	0	0	111.8	L640 G693 Y695	P638-L640 PolarHBondContact O-N 3.12Å; P638-G693 VanDerWaalsContact CB-O 3.3Å; P638-G693 WeakPolarHBondContact CB-O 3.35Å; P638-G693 VanDerWaalsContact CG-C 3.47Å; P638-G693 WeakPolarHBondContact CG-O 3.41Å; P638-Y695 VanDerWaalsContact CD-CE1 3.47Å; P638-Y695 HydrophobicContact CG-CD1 4.35Å; P638-Y695 HydrophobicContact CG-CD2 3.81Å; P638-Y695 HydrophobicContact CG-CE1 4.35Å; P638-Y695 HydrophobicContact CG-CE2 3.81Å; P638-Y695 HydrophobicContact CG-CG 4.08Å
639	G	47.7	Very low	66.6	Low	71 Å²	71	74 Å²	74	73%	0.732	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-61.2	129.9	174.3	0	0	0	0	0	109.8	R637	R637-G639 PolarHBondContact O-N 3.4Å
640	L	47.5	Very low	68.3	Low	87 Å²	87	74.2 Å²	74.2	46%	0.455	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-58.6	132.9	169.9	-173.8	69.7	0	0	0	108.1	P638 N642 F643 K679 A683	P638-L640 PolarHBondContact O-N 3.12Å; L640-N642 PolarHBondContact O-N 2.78Å; L640-F643 HydrophobicContact CD1-CE2 4.29Å; L640-F643 HydrophobicContact CG-CE2 4.09Å; L640-K679 HydrophobicContact CD2-CD 4.08Å; L640-K679 HydrophobicContact CD2-CG 4.3Å; L640-A683 HydrophobicContact CD1-CB 3.59Å
641	P	53	Low	69.9	Low	73 Å²	73	71 Å²	71	47%	0.474	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-51.2	133.5	177.8	-28.6	35.8	0	0	0	110.9	F643	P641-F643 VanDerWaalsContact C-N 3.26Å; P641-F643 HydrophobicContact CB-CE1 4.17Å; P641-F643 HydrophobicContact CB-CE2 4.26Å; P641-F643 HydrophobicContact CB-CZ 3.96Å; P641-F643 HydrophobicContact CG-CZ 4.3Å; P641-F643 WeakPolarHBondContact O-CD2 3.4Å; P641-F643 VanDerWaalsContact O-CE2 3.25Å; P641-F643 WeakPolarHBondContact O-CE2 3.44Å; P641-F643 PolarHBondContact O-N 2.74Å
642	N	52.1	Low	71.2	Confident	167 Å²	167	67.3 Å²	67.3	89%	0.893	37%	0.365	S	S	*	.			trans	-80.2	77.4	-176.1	-165.2	21.5	0	0	0	110	L640 S644	L640-N642 PolarHBondContact O-N 2.78Å; N642-S644 PolarHBondContact O-N 3.16Å
643	F	66.9	Low	72.1	Confident	33 Å²	33	64.7 Å²	64.7	15%	0.145	36%	0.361	C	S	.	.			trans	-57.6	128.2	179.4	-54.3	-78.5	0	0	0	110.7	L640 P641 L647 L648 W651 K679 L682	L640-F643 HydrophobicContact CD1-CE2 4.29Å; L640-F643 HydrophobicContact CG-CE2 4.09Å; P641-F643 VanDerWaalsContact C-N 3.26Å; P641-F643 HydrophobicContact CB-CE1 4.17Å; P641-F643 HydrophobicContact CB-CE2 4.26Å; P641-F643 HydrophobicContact CB-CZ 3.96Å; P641-F643 HydrophobicContact CG-CZ 4.3Å; P641-F643 WeakPolarHBondContact O-CD2 3.4Å; P641-F643 VanDerWaalsContact O-CE2 3.25Å; P641-F643 WeakPolarHBondContact O-CE2 3.44Å; P641-F643 PolarHBondContact O-N 2.74Å; F643-L647 HydrophobicContact CD1-CD2 4.11Å; F643-L648 HydrophobicContact CB-CD2 4.08Å; F643-L648 HydrophobicContact CB-CG 4.22Å; F643-W651 AromaticContact CD1-CH2 3.56Å; F643-W651 HydrophobicContact CD1-CH2 3.56Å; F643-W651 AromaticContact CD1-CZ3 3.85Å; F643-W651 HydrophobicContact CD1-CZ3 3.85Å; F643-W651 AromaticContact CE1-CH2 3.71Å; F643-W651 HydrophobicContact CE1-CH2 3.71Å; F643-W651 HydrophobicContact CE1-CZ3 4.17Å; F643-W651 HydrophobicContact CG-CH2 4.33Å; F643-W651 HydrophobicContact CG-CZ3 4.17Å; F643-K679 HydrophobicContact CD2-CD 4.35Å; F643-K679 VanDerWaalsContact CD2-CE 3.42Å; F643-K679 HydrophobicContact CD2-CG 4.01Å; F643-K679 HydrophobicContact CE2-CD 4.38Å; F643-K679 HydrophobicContact CE2-CG 3.63Å; F643-K679 HydrophobicContact CZ-CG 4.44Å; F643-L682 HydrophobicContact CE1-CD1 3.91Å; F643-L682 HydrophobicContact CZ-CB 4.11Å; F643-L682 HydrophobicContact CZ-CD1 4.13Å
644	S	66.9	Low	72.4	Confident	53 Å²	53	67.6 Å²	67.6	37%	0.371	37%	0.374	S	S	.	.			trans	-61.5	150	179.3	63.9	0	0	0	0	111.4	N642 E646 L647 L648	N642-S644 PolarHBondContact O-N 3.16Å; S644-E646 PolarHBondContact O-N 3.5Å; S644-L647 PolarHBondContact O-N 3.36Å; S644-L647 WeakPolarHBondContact OG-CB 3.39Å; S644-L647 PolarHBondContact OG-N 3.12Å; S644-L648 PolarHBondContact O-N 3.26Å; S644-L648 VanDerWaalsContact O-N 3.15Å
645	P	74.3	Confident	72.9	Confident	102 Å²	102	68.8 Å²	68.8	66%	0.662	38%	0.382	S	S	*	.	H	α-helix	trans	-55.2	-39.8	177.2	-26.7	35.7	0	0	0	112.6	L648 E649	P645-L648 CarbonylContact O-C 3.58Å; P645-L648 WeakPolarHBondContact O-CB 3.45Å; P645-L648 PolarHBondContact O-N 2.97Å; P645-E649 PolarHBondContact O-N 3.04Å
646	E	72.3	Confident	73.1	Confident	152 Å²	152	75.3 Å²	75.3	71%	0.71	41%	0.41	S	S	*	.	H	α-helix	trans	-61.7	-43.9	177.8	-61.8	168.3	167.5	0	0	112.5	S644 L648 E649 T650	S644-E646 PolarHBondContact O-N 3.5Å; E646-L648 VanDerWaalsContact C-N 3.31Å; E646-L648 PolarHBondContact O-N 3.06Å; E646-E649 WeakPolarHBondContact O-CA 3.04Å; E646-E649 WeakPolarHBondContact O-CB 3.47Å; E646-E649 PolarHBondContact O-N 3.42Å; E646-T650 WeakPolarHBondContact O-CG2 3.44Å; E646-T650 PolarHBondContact O-N 3.21Å
647	L	77.4	Confident	73.4	Confident	63 Å²	63	80.1 Å²	80.1	33%	0.33	43%	0.429	S	S	.	.	H	α-helix	trans	-63.1	-40.6	176.3	-177.4	60.7	0	0	0	110.7	F643 S644 E649 T650 W651	F643-L647 HydrophobicContact CD1-CD2 4.11Å; S644-L647 PolarHBondContact O-N 3.36Å; S644-L647 WeakPolarHBondContact OG-CB 3.39Å; S644-L647 PolarHBondContact OG-N 3.12Å; L647-E649 VanDerWaalsContact C-N 3.3Å; L647-E649 PolarHBondContact O-N 3.24Å; L647-T650 PolarHBondContact O-N 3.42Å; L647-T650 PolarHBondContact O-OG1 3.18Å; L647-W651 HydrophobicContact CD1-CD2 4.39Å; L647-W651 HydrophobicContact CD1-CZ2 3.83Å; L647-W651 HydrophobicContact CD2-CH2 3.8Å; L647-W651 HydrophobicContact CD2-CZ2 3.73Å; L647-W651 HydrophobicContact CD2-CZ3 4.48Å; L647-W651 HydrophobicContact CG-CD2 4.19Å; L647-W651 HydrophobicContact CG-CE3 4.46Å; L647-W651 HydrophobicContact CG-CH2 4Å; L647-W651 HydrophobicContact CG-CZ2 3.7Å; L647-W651 HydrophobicContact CG-CZ3 4.37Å; L647-W651 WeakPolarHBondContact O-CB 3.36Å; L647-W651 VanDerWaalsContact O-CG 3.3Å; L647-W651 PolarHBondContact O-N 3.31Å
648	L	80.1	Confident	73.6	Confident	39 Å²	39	81.8 Å²	81.8	20%	0.204	44%	0.439	C	S	.	.	H	α-helix	trans	-64.1	-34.6	172.4	-61.6	175.4	0	0	0	112.1	F643 S644 P645 E646 W651 K652 V675	F643-L648 HydrophobicContact CB-CD2 4.08Å; F643-L648 HydrophobicContact CB-CG 4.22Å; S644-L648 PolarHBondContact O-N 3.26Å; S644-L648 VanDerWaalsContact O-N 3.15Å; P645-L648 CarbonylContact O-C 3.58Å; P645-L648 WeakPolarHBondContact O-CB 3.45Å; P645-L648 PolarHBondContact O-N 2.97Å; E646-L648 VanDerWaalsContact C-N 3.31Å; E646-L648 PolarHBondContact O-N 3.06Å; L648-W651 HydrophobicContact CD2-CE3 3.89Å; L648-W651 HydrophobicContact CD2-CZ3 4.05Å; L648-K652 VanDerWaalsContact O-CG 3.27Å; L648-K652 WeakPolarHBondContact O-CG 3.41Å; L648-K652 PolarHBondContact O-N 3.08Å; L648-V675 HydrophobicContact CD2-CG1 4.13Å
649	E	82.3	Confident	74.3	Confident	79 Å²	79	82.2 Å²	82.2	37%	0.369	45%	0.449	S	S	.	.	H	α-helix	trans	-67.2	-47	175.3	-141.9	61.3	-118.2	0	0	111.9	P645 E646 L647 W651 K652 N653	P645-E649 PolarHBondContact O-N 3.04Å; E646-E649 WeakPolarHBondContact O-CA 3.04Å; E646-E649 WeakPolarHBondContact O-CB 3.47Å; E646-E649 PolarHBondContact O-N 3.42Å; L647-E649 VanDerWaalsContact C-N 3.3Å; L647-E649 PolarHBondContact O-N 3.24Å; E649-W651 VanDerWaalsContact C-N 3.29Å; E649-W651 PolarHBondContact O-N 3.01Å; E649-K652 WeakPolarHBondContact O-CB 3.3Å; E649-K652 PolarHBondContact O-N 3.2Å; E649-K652 WeakPolarHBondContact OE1-CD 3.33Å; E649-K652 IonicContact OE1-NZ 3.69Å; E649-K652 PolarHBondContact OE1-NZ 3.31Å; E649-K652 IonicContact OE2-NZ 3.79Å; E649-K652 PolarHBondContact OE2-NZ 2.98Å; E649-N653 WeakPolarHBondContact O-CB 3.38Å; E649-N653 VanDerWaalsContact O-CG 3.26Å; E649-N653 PolarHBondContact O-N 3.34Å; E649-N653 PolarHBondContact O-ND2 2.93Å
650	T	82	Confident	76	Confident	67 Å²	67	83.4 Å²	83.4	41%	0.411	43%	0.434	S	S	.	.	H	α-helix	trans	-62.2	-36.7	175.4	65.5	0	0	0	0	112	E646 L647 N653 Q654	E646-T650 WeakPolarHBondContact O-CG2 3.44Å; E646-T650 PolarHBondContact O-N 3.21Å; L647-T650 PolarHBondContact O-N 3.42Å; L647-T650 PolarHBondContact O-OG1 3.18Å; T650-N653 PolarHBondContact O-N 2.89Å; T650-Q654 WeakPolarHBondContact O-CB 3.45Å; T650-Q654 VanDerWaalsContact O-CG 3.31Å; T650-Q654 WeakPolarHBondContact O-CG 3.36Å; T650-Q654 PolarHBondContact O-N 3.33Å; T650-Q654 PolarHBondContact O-NE2 3.17Å
651	W	88.3	Confident	77.8	Confident	9 Å²	9	79.4 Å²	79.4	3%	0.034	41%	0.413	C	S	.	.	H	α-helix	trans	-69.1	-41.9	174	-72.4	-10.3	0	0	0	112.9	F643 L647 L648 E649 N653 Q654 V655 I661 V675 L678 L682	F643-W651 AromaticContact CD1-CH2 3.56Å; F643-W651 HydrophobicContact CD1-CH2 3.56Å; F643-W651 AromaticContact CD1-CZ3 3.85Å; F643-W651 HydrophobicContact CD1-CZ3 3.85Å; F643-W651 AromaticContact CE1-CH2 3.71Å; F643-W651 HydrophobicContact CE1-CH2 3.71Å; F643-W651 HydrophobicContact CE1-CZ3 4.17Å; F643-W651 HydrophobicContact CG-CH2 4.33Å; F643-W651 HydrophobicContact CG-CZ3 4.17Å; L647-W651 HydrophobicContact CD1-CD2 4.39Å; L647-W651 HydrophobicContact CD1-CZ2 3.83Å; L647-W651 HydrophobicContact CD2-CH2 3.8Å; L647-W651 HydrophobicContact CD2-CZ2 3.73Å; L647-W651 HydrophobicContact CD2-CZ3 4.48Å; L647-W651 HydrophobicContact CG-CD2 4.19Å; L647-W651 HydrophobicContact CG-CE3 4.46Å; L647-W651 HydrophobicContact CG-CH2 4Å; L647-W651 HydrophobicContact CG-CZ2 3.7Å; L647-W651 HydrophobicContact CG-CZ3 4.37Å; L647-W651 WeakPolarHBondContact O-CB 3.36Å; L647-W651 VanDerWaalsContact O-CG 3.3Å; L647-W651 PolarHBondContact O-N 3.31Å; L648-W651 HydrophobicContact CD2-CE3 3.89Å; L648-W651 HydrophobicContact CD2-CZ3 4.05Å; E649-W651 VanDerWaalsContact C-N 3.29Å; E649-W651 PolarHBondContact O-N 3.01Å; W651-N653 VanDerWaalsContact C-N 3.28Å; W651-N653 PolarHBondContact O-N 2.9Å; W651-Q654 PolarHBondContact O-N 3.06Å; W651-V655 WeakPolarHBondContact O-CG2 3.4Å; W651-V655 PolarHBondContact O-N 2.94Å; W651-I661 HydrophobicContact CB-CD1 3.78Å; W651-I661 HydrophobicContact CG-CD1 4.18Å; W651-V675 HydrophobicContact CB-CG1 4.05Å; W651-V675 HydrophobicContact CB-CG2 4.15Å; W651-V675 HydrophobicContact CE3-CG1 4.1Å; W651-L678 HydrophobicContact CD2-CD2 3.71Å; W651-L678 HydrophobicContact CE3-CD2 4.06Å; W651-L678 HydrophobicContact CG-CD2 4.09Å; W651-L678 HydrophobicContact CH2-CD2 4.44Å; W651-L678 HydrophobicContact CZ2-CD2 4.1Å; W651-L678 HydrophobicContact CZ3-CD2 4.42Å; W651-L682 HydrophobicContact CH2-CD1 3.31Å; W651-L682 HydrophobicContact CZ2-CD1 3.85Å; W651-L682 HydrophobicContact CZ3-CD1 4.02Å
652	K	86.9	Confident	79.3	Confident	86 Å²	86	79 Å²	79	37%	0.374	41%	0.412	S	S	.	.	H	α-helix	trans	-56.4	-46.3	171.3	-76.2	175.8	-128.3	162.4	0	110.5	L648 E649 V655 K656 V675	L648-K652 VanDerWaalsContact O-CG 3.27Å; L648-K652 WeakPolarHBondContact O-CG 3.41Å; L648-K652 PolarHBondContact O-N 3.08Å; E649-K652 WeakPolarHBondContact O-CB 3.3Å; E649-K652 PolarHBondContact O-N 3.2Å; E649-K652 WeakPolarHBondContact OE1-CD 3.33Å; E649-K652 IonicContact OE1-NZ 3.69Å; E649-K652 PolarHBondContact OE1-NZ 3.31Å; E649-K652 IonicContact OE2-NZ 3.79Å; E649-K652 PolarHBondContact OE2-NZ 2.98Å; K652-V655 PolarHBondContact O-N 3.12Å; K652-K656 WeakPolarHBondContact O-CG 3.2Å; K652-K656 PolarHBondContact O-N 2.91Å; K652-V675 HydrophobicContact CB-CG2 4.37Å; K652-V675 HydrophobicContact CG-CG2 3.94Å
653	N	85	Confident	80.7	Confident	67 Å²	67	71.7 Å²	71.7	36%	0.358	37%	0.373	S	S	.	.	H	α-helix	trans	-69.9	-35.8	-177.9	-65.3	-16	0	0	0	111.7	E649 T650 W651 V655 K656 E657	E649-N653 WeakPolarHBondContact O-CB 3.38Å; E649-N653 VanDerWaalsContact O-CG 3.26Å; E649-N653 PolarHBondContact O-N 3.34Å; E649-N653 PolarHBondContact O-ND2 2.93Å; T650-N653 PolarHBondContact O-N 2.89Å; W651-N653 VanDerWaalsContact C-N 3.28Å; W651-N653 PolarHBondContact O-N 2.9Å; N653-V655 VanDerWaalsContact C-N 3.34Å; N653-V655 PolarHBondContact O-N 3.37Å; N653-K656 PolarHBondContact O-N 3.3Å; N653-K656 VanDerWaalsContact O-N 3.16Å; N653-K656 PolarHBondContact OD1-NZ 2.87Å; N653-E657 WeakPolarHBondContact O-CB 3.18Å; N653-E657 WeakPolarHBondContact O-CG 3.42Å; N653-E657 PolarHBondContact O-N 3.33Å
654	Q	83.7	Confident	81.3	Confident	65 Å²	65	74.8 Å²	74.8	30%	0.304	40%	0.395	S	S	.	.	H	α-helix	trans	-62.3	-36.6	170.3	-75.6	176.4	66.9	0	0	113	T650 W651 K658 I661	T650-Q654 WeakPolarHBondContact O-CB 3.45Å; T650-Q654 VanDerWaalsContact O-CG 3.31Å; T650-Q654 WeakPolarHBondContact O-CG 3.36Å; T650-Q654 PolarHBondContact O-N 3.33Å; T650-Q654 PolarHBondContact O-NE2 3.17Å; W651-Q654 PolarHBondContact O-N 3.06Å; Q654-K658 WeakPolarHBondContact O-CB 3.46Å; Q654-K658 PolarHBondContact O-N 2.83Å; Q654-I661 HydrophobicContact CB-CG1 4.27Å; Q654-I661 HydrophobicContact CB-CG2 4.39Å
655	V	87.6	Confident	81.5	Confident	37 Å²	37	74 Å²	74	22%	0.224	39%	0.386	C	S	.	.	H	α-helix	trans	-65.4	-41.4	171.1	177.9	0	0	0	0	111.8	W651 K652 N653 G659 I661 V675	W651-V655 WeakPolarHBondContact O-CG2 3.4Å; W651-V655 PolarHBondContact O-N 2.94Å; K652-V655 PolarHBondContact O-N 3.12Å; N653-V655 VanDerWaalsContact C-N 3.34Å; N653-V655 PolarHBondContact O-N 3.37Å; V655-G659 WeakPolarHBondContact O-CA 3.37Å; V655-G659 PolarHBondContact O-N 3.19Å; V655-I661 HydrophobicContact CG2-CD1 3.62Å; V655-I661 HydrophobicContact CG2-CG1 3.49Å; V655-I661 VanDerWaalsContact CG2-CG1 3.49Å; V655-V675 HydrophobicContact CG2-CG2 4.09Å
656	K	85.4	Confident	81	Confident	139 Å²	139	74.7 Å²	74.7	60%	0.604	40%	0.401	S	S	*	.	H	α-helix	trans	-63.2	-51.3	178	-66.1	170.2	-166.4	164.7	0	111.8	K652 N653	K652-K656 WeakPolarHBondContact O-CG 3.2Å; K652-K656 PolarHBondContact O-N 2.91Å; N653-K656 PolarHBondContact O-N 3.3Å; N653-K656 VanDerWaalsContact O-N 3.16Å; N653-K656 PolarHBondContact OD1-NZ 2.87Å
657	E	83.2	Confident	80.4	Confident	160 Å²	160	71.6 Å²	71.6	75%	0.748	39%	0.389	S	S	*	.	H	α-helix	trans	-77.8	-41.1	-172.4	-64.4	-56.2	118.9	0	0	113.3	N653	N653-E657 WeakPolarHBondContact O-CB 3.18Å; N653-E657 WeakPolarHBondContact O-CG 3.42Å; N653-E657 PolarHBondContact O-N 3.33Å
658	K	77.9	Confident	80.3	Confident	135 Å²	135	69.7 Å²	69.7	59%	0.587	38%	0.381	S	S	*	.	H	α-helix	trans	-107.9	-9.9	-172.3	-57.3	-176.6	-179.7	179.5	0	113.4	Q654 F660	Q654-K658 WeakPolarHBondContact O-CB 3.46Å; Q654-K658 PolarHBondContact O-N 2.83Å; K658-F660 WeakPolarHBondContact O-CD1 3.42Å; K658-F660 VanDerWaalsContact O-CE1 3.28Å; K658-F660 WeakPolarHBondContact O-CE1 3.47Å; K658-F660 PolarHBondContact O-N 3.19Å
659	G	80.1	Confident	80.1	Confident	42 Å²	42	77 Å²	77	43%	0.433	41%	0.414	S	S	.	.	S	Bend	trans	73.7	-9	-172.4	0	0	0	0	0	114.7	V655 S673	V655-G659 WeakPolarHBondContact O-CA 3.37Å; V655-G659 PolarHBondContact O-N 3.19Å; G659-S673 WeakPolarHBondContact O-CA 3.25Å
660	F	82.4	Confident	79.9	Confident	96 Å²	96	74.3 Å²	74.3	42%	0.421	41%	0.405	S	S	.	.			trans	-155.1	158.8	-177.5	63.1	-92.7	0	0	0	113.1	K658 V671 Y672	K658-F660 WeakPolarHBondContact O-CD1 3.42Å; K658-F660 VanDerWaalsContact O-CE1 3.28Å; K658-F660 WeakPolarHBondContact O-CE1 3.47Å; K658-F660 PolarHBondContact O-N 3.19Å; F660-V671 HydrophobicContact CB-CG1 3.62Å; F660-V671 HydrophobicContact CD2-CG1 3.55Å; F660-V671 HydrophobicContact CE2-CG1 4.45Å; F660-V671 HydrophobicContact CG-CG1 3.77Å; F660-Y672 CarbonylContact C-O 3.44Å; F660-Y672 WeakPolarHBondContact CA-O 3.37Å
661	I	86.7	Confident	80	Confident	3 Å²	3	74.9 Å²	74.9	2%	0.015	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.7	170	-31.2	158.9	0	0	0	108.2	W651 Q654 V655 V671 Y672 V675 L678	W651-I661 HydrophobicContact CB-CD1 3.78Å; W651-I661 HydrophobicContact CG-CD1 4.18Å; Q654-I661 HydrophobicContact CB-CG1 4.27Å; Q654-I661 HydrophobicContact CB-CG2 4.39Å; V655-I661 HydrophobicContact CG2-CD1 3.62Å; V655-I661 HydrophobicContact CG2-CG1 3.49Å; V655-I661 VanDerWaalsContact CG2-CG1 3.49Å; I661-V671 WeakPolarHBondContact O-CA 3.35Å; I661-Y672 PolarHBondContact N-O 3.33Å; I661-Y672 PolarHBondContact O-N 3.41Å; I661-V675 HydrophobicContact CD1-CG2 4.2Å; I661-L678 HydrophobicContact CB-CD2 4.03Å; I661-L678 HydrophobicContact CD1-CB 4.24Å; I661-L678 HydrophobicContact CD1-CD2 3.7Å; I661-L678 HydrophobicContact CG2-CD2 3.78Å
662	C	83.5	Confident	80	Confident	66 Å²	66	77.8 Å²	77.8	45%	0.446	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	155.6	167.5	-56.4	0	0	0	0	110.5	A670	C662-A670 CarbonylContact C-O 3.58Å
663	C	82.4	Confident	79.9	Confident	12 Å²	12	78.1 Å²	78.1	8%	0.081	43%	0.433	C	S	.	.			trans	-60.7	138.9	167.4	-171.2	0	0	0	0	110.6	N665 C668 A670 L678 H681 L682	C663-N665 PolarHBondContact O-N 2.99Å; C663-N665 PolarHBondContact SG-ND2 3.5Å; C663-C668 HydrophobicContact CB-CB 4.05Å; C663-C668 WeakPolarHBondContact CB-O 3.35Å; C663-A670 HydrophobicContact CB-CB 4.34Å; C663-A670 PolarHBondContact N-O 3.02Å; C663-L678 HydrophobicContact CB-CD1 4.39Å; C663-H681 VanDerWaalsContact SG-CD2 3.5Å; C663-H681 PolarHBondContact SG-NE2 3.45Å; C663-L682 VanDerWaalsContact SG-CD2 3.59Å
664	T	78.9	Confident	79.9	Confident	98 Å²	98	77.2 Å²	77.2	60%	0.601	43%	0.432	S	S	*	.	S	Bend	trans	-77.4	-9.1	-177.8	-40.5	0	0	0	0	112.8
665	N	72.1	Confident	79.8	Confident	37 Å²	37	75.4 Å²	75.4	20%	0.198	43%	0.426	C	S	.	.	S	Bend	trans	-81.3	120.4	178	-58.9	-34.8	0	0	0	109.5	C663 N667 C668 C685 G688	C663-N665 PolarHBondContact O-N 2.99Å; C663-N665 PolarHBondContact SG-ND2 3.5Å; N665-N667 PolarHBondContact O-N 3.17Å; N665-C668 HydrophobicContact CB-CB 4.1Å; N665-C668 PolarHBondContact O-N 3.37Å; N665-C685 PolarHBondContact ND2-SG 2.8Å; N665-G688 VanDerWaalsContact ND2-CA 3.33Å; N665-G688 WeakPolarHBondContact ND2-CA 3.42Å; N665-G688 PolarHBondContact ND2-N 3.16Å; N665-G688 WeakPolarHBondContact OD1-CA 3.37Å
666	A	63	Low	79.6	Confident	117 Å²	117	78.2 Å²	78.2	97%	0.967	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.7	-170	0	0	0	0	0	115.5
667	N	58.5	Low	79.4	Confident	87 Å²	87	72.6 Å²	72.6	47%	0.465	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	19.2	-180	48.1	-10.9	0	0	0	112.6	N665 Q687	N665-N667 PolarHBondContact O-N 3.17Å; N667-Q687 HydrophobicContact CB-CB 4.31Å; N667-Q687 VanDerWaalsContact CG-O 3.27Å; N667-Q687 PolarHBondContact ND2-O 3.14Å; N667-Q687 PolarHBondContact ND2-OE1 3.42Å; N667-Q687 WeakPolarHBondContact O-CG 3.5Å; N667-Q687 PolarHBondContact OD1-O 2.81Å
668	C	75.5	Confident	79.4	Confident	23 Å²	23	65 Å²	65	16%	0.155	39%	0.392	C	S	.	.			trans	-135	101	178.4	-160.2	0	0	0	0	113.5	C663 N665 A670 H681 C685 Q687	C663-C668 HydrophobicContact CB-CB 4.05Å; C663-C668 WeakPolarHBondContact CB-O 3.35Å; N665-C668 HydrophobicContact CB-CB 4.1Å; N665-C668 PolarHBondContact O-N 3.37Å; C668-A670 PolarHBondContact O-N 3.48Å; C668-H681 PolarHBondContact SG-CE1 3.47Å; C668-H681 PolarHBondContact SG-NE2 3.4Å; C668-C685 VanDerWaalsContact SG-SG 3.65Å; C668-Q687 HydrophobicContact CB-CB 4.03Å; C668-Q687 HydrophobicContact CB-CG 4.43Å
669	E	76.3	Confident	79.4	Confident	192 Å²	192	62 Å²	62	90%	0.897	38%	0.379	S	S	*	.			trans	-74.4	19.4	178.3	-56.2	179.6	169.2	0	0	114.1	V671	E669-V671 PolarHBondContact O-N 3.22Å
670	A	79.1	Confident	79.3	Confident	22 Å²	22	63 Å²	63	18%	0.182	38%	0.384	C	S	.	.			trans	-77.4	121.9	-173.9	0	0	0	0	0	111.7	C662 C663 C668 Y672 H681	C662-A670 CarbonylContact C-O 3.58Å; C663-A670 HydrophobicContact CB-CB 4.34Å; C663-A670 PolarHBondContact N-O 3.02Å; C668-A670 PolarHBondContact O-N 3.48Å; A670-Y672 HydrophobicContact CB-CE2 3.65Å; A670-H681 VanDerWaalsContact CB-CE1 3.43Å; A670-H681 WeakPolarHBondContact CB-CE1 3.33Å
671	V	84.5	Confident	79.2	Confident	80 Å²	80	59.9 Å²	59.9	49%	0.485	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.9	-175.8	-178.7	0	0	0	0	111.1	F660 I661 E669	F660-V671 HydrophobicContact CB-CG1 3.62Å; F660-V671 HydrophobicContact CD2-CG1 3.55Å; F660-V671 HydrophobicContact CE2-CG1 4.45Å; F660-V671 HydrophobicContact CG-CG1 3.77Å; I661-V671 WeakPolarHBondContact O-CA 3.35Å; E669-V671 PolarHBondContact O-N 3.22Å
672	Y	87.6	Confident	78.5	Confident	69 Å²	69	61.1 Å²	61.1	27%	0.271	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127.9	-174.8	-67.4	-77	0	0	0	112.7	F660 I661 A670 S674 L678 H681	F660-Y672 CarbonylContact C-O 3.44Å; F660-Y672 WeakPolarHBondContact CA-O 3.37Å; I661-Y672 PolarHBondContact N-O 3.33Å; I661-Y672 PolarHBondContact O-N 3.41Å; A670-Y672 HydrophobicContact CB-CE2 3.65Å; Y672-S674 PolarHBondContact O-N 2.89Å; Y672-L678 HydrophobicContact CD2-CB 4.24Å; Y672-L678 HydrophobicContact CD2-CD1 4.1Å; Y672-L678 HydrophobicContact CG-CB 4.37Å; Y672-H681 HydrophobicContact CD2-CB 4.27Å; Y672-H681 HydrophobicContact CE1-CB 4.29Å; Y672-H681 HydrophobicContact CE2-CB 3.44Å; Y672-H681 VanDerWaalsContact CE2-CB 3.44Å; Y672-H681 AromaticContact CE2-CD2 3.92Å; Y672-H681 AromaticContact CE2-CG 3.39Å; Y672-H681 AromaticContact CE2-ND1 3.72Å; Y672-H681 VanDerWaalsContact CZ-CB 3.48Å; Y672-H681 AromaticContact CZ-CG 3.65Å; Y672-H681 AromaticContact CZ-ND1 3.69Å; Y672-H681 WeakPolarHBondContact OH-CB 3.46Å; Y672-H681 PolarHBondContact OH-ND1 3.19Å
673	S	85	Confident	77.7	Confident	93 Å²	93	60.2 Å²	60.2	65%	0.65	37%	0.374	S	S	*	.	S	Bend	trans	-78.8	11.5	173.1	55.2	0	0	0	0	114.3	G659	G659-S673 WeakPolarHBondContact O-CA 3.25Å
674	S	84.1	Confident	76.7	Confident	49 Å²	49	65.4 Å²	65.4	34%	0.343	40%	0.401	S	S	.	.	S	Bend	trans	-155.9	145.3	176.2	63.9	0	0	0	0	112.4	Y672 S676 G677 L678	Y672-S674 PolarHBondContact O-N 2.89Å; S674-S676 PolarHBondContact O-N 3.37Å; S674-G677 PolarHBondContact O-N 2.88Å; S674-G677 VanDerWaalsContact O-N 3.1Å; S674-G677 PolarHBondContact OG-N 2.89Å; S674-L678 PolarHBondContact O-N 3.41Å; S674-L678 VanDerWaalsContact O-N 3.11Å
675	V	82.2	Confident	76.3	Confident	27 Å²	27	61.2 Å²	61.2	16%	0.164	38%	0.376	C	S	.	.	H	α-helix	trans	-57.6	-38.8	175.2	-170.7	0	0	0	0	111.2	L648 W651 K652 V655 I661 G677 L678 K679	L648-V675 HydrophobicContact CD2-CG1 4.13Å; W651-V675 HydrophobicContact CB-CG1 4.05Å; W651-V675 HydrophobicContact CB-CG2 4.15Å; W651-V675 HydrophobicContact CE3-CG1 4.1Å; K652-V675 HydrophobicContact CB-CG2 4.37Å; K652-V675 HydrophobicContact CG-CG2 3.94Å; V655-V675 HydrophobicContact CG2-CG2 4.09Å; I661-V675 HydrophobicContact CD1-CG2 4.2Å; V675-G677 PolarHBondContact O-N 3.46Å; V675-L678 PolarHBondContact O-N 2.86Å; V675-K679 WeakPolarHBondContact O-CB 3.4Å; V675-K679 PolarHBondContact O-N 3.36Å
676	S	82.9	Confident	75.8	Confident	95 Å²	95	64 Å²	64	66%	0.664	40%	0.398	S	S	*	.	H	α-helix	trans	-64.2	-37.8	177	-51.6	0	0	0	0	112.9	S674 K679 A680	S674-S676 PolarHBondContact O-N 3.37Å; S676-K679 PolarHBondContact O-N 3.18Å; S676-A680 WeakPolarHBondContact O-CB 3.3Å; S676-A680 PolarHBondContact O-N 3.23Å; S676-A680 VanDerWaalsContact O-N 3.07Å
677	G	82.5	Confident	75.8	Confident	21 Å²	21	62.5 Å²	62.5	22%	0.216	37%	0.371	C	S	.	.	H	α-helix	trans	-64.5	-47.1	174.3	0	0	0	0	0	111.9	S674 V675 A680 H681	S674-G677 PolarHBondContact O-N 2.88Å; S674-G677 VanDerWaalsContact O-N 3.1Å; S674-G677 PolarHBondContact OG-N 2.89Å; V675-G677 PolarHBondContact O-N 3.46Å; G677-A680 PolarHBondContact O-N 2.78Å; G677-H681 WeakPolarHBondContact O-CB 3.41Å; G677-H681 PolarHBondContact O-N 3.49Å
678	L	81.9	Confident	75.6	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-61.7	-43.6	174.9	178.4	62	0	0	0	111.8	W651 I661 C663 Y672 S674 V675 A680 H681 L682	W651-L678 HydrophobicContact CD2-CD2 3.71Å; W651-L678 HydrophobicContact CE3-CD2 4.06Å; W651-L678 HydrophobicContact CG-CD2 4.09Å; W651-L678 HydrophobicContact CH2-CD2 4.44Å; W651-L678 HydrophobicContact CZ2-CD2 4.1Å; W651-L678 HydrophobicContact CZ3-CD2 4.42Å; I661-L678 HydrophobicContact CB-CD2 4.03Å; I661-L678 HydrophobicContact CD1-CB 4.24Å; I661-L678 HydrophobicContact CD1-CD2 3.7Å; I661-L678 HydrophobicContact CG2-CD2 3.78Å; C663-L678 HydrophobicContact CB-CD1 4.39Å; Y672-L678 HydrophobicContact CD2-CB 4.24Å; Y672-L678 HydrophobicContact CD2-CD1 4.1Å; Y672-L678 HydrophobicContact CG-CB 4.37Å; S674-L678 PolarHBondContact O-N 3.41Å; S674-L678 VanDerWaalsContact O-N 3.11Å; V675-L678 PolarHBondContact O-N 2.86Å; L678-A680 VanDerWaalsContact C-N 3.34Å; L678-A680 PolarHBondContact O-N 2.89Å; L678-H681 WeakPolarHBondContact O-CB 3.1Å; L678-H681 PolarHBondContact O-N 3.25Å; L678-H681 VanDerWaalsContact O-N 3.15Å; L678-L682 HydrophobicContact CD1-CD1 3.98Å; L678-L682 HydrophobicContact CD1-CD2 4.41Å; L678-L682 HydrophobicContact CD1-CG 3.91Å; L678-L682 HydrophobicContact CD2-CD1 4.45Å; L678-L682 HydrophobicContact CG-CD1 3.85Å; L678-L682 HydrophobicContact CG-CG 4.24Å; L678-L682 WeakPolarHBondContact O-CG 3.47Å; L678-L682 PolarHBondContact O-N 3.36Å
679	K	78.5	Confident	74.1	Confident	72 Å²	72	62.6 Å²	62.6	31%	0.313	40%	0.397	S	S	.	.	H	α-helix	trans	-61.6	-40.5	179.4	-157.4	-174.1	-163.5	-169.5	0	112.2	L640 F643 V675 S676 A683	L640-K679 HydrophobicContact CD2-CD 4.08Å; L640-K679 HydrophobicContact CD2-CG 4.3Å; F643-K679 HydrophobicContact CD2-CD 4.35Å; F643-K679 VanDerWaalsContact CD2-CE 3.42Å; F643-K679 HydrophobicContact CD2-CG 4.01Å; F643-K679 HydrophobicContact CE2-CD 4.38Å; F643-K679 HydrophobicContact CE2-CG 3.63Å; F643-K679 HydrophobicContact CZ-CG 4.44Å; V675-K679 WeakPolarHBondContact O-CB 3.4Å; V675-K679 PolarHBondContact O-N 3.36Å; S676-K679 PolarHBondContact O-N 3.18Å; K679-A683 PolarHBondContact O-N 3.25Å
680	A	77.6	Confident	72.7	Confident	63 Å²	63	56.1 Å²	56.1	52%	0.521	38%	0.381	S	S	.	.	H	α-helix	trans	-71.3	-32.7	175.4	0	0	0	0	0	112.7	S676 G677 L678	S676-A680 WeakPolarHBondContact O-CB 3.3Å; S676-A680 PolarHBondContact O-N 3.23Å; S676-A680 VanDerWaalsContact O-N 3.07Å; G677-A680 PolarHBondContact O-N 2.78Å; L678-A680 VanDerWaalsContact C-N 3.34Å; L678-A680 PolarHBondContact O-N 2.89Å
681	H	80.3	Confident	71.2	Confident	31 Å²	31	63 Å²	63	14%	0.144	41%	0.41	C	S	.	.	H	α-helix	trans	-67.3	-49.6	173.1	170.8	83.7	0	0	0	112.2	C663 C668 A670 Y672 G677 L678 A683 N684 C685	C663-H681 VanDerWaalsContact SG-CD2 3.5Å; C663-H681 PolarHBondContact SG-NE2 3.45Å; C668-H681 PolarHBondContact SG-CE1 3.47Å; C668-H681 PolarHBondContact SG-NE2 3.4Å; A670-H681 VanDerWaalsContact CB-CE1 3.43Å; A670-H681 WeakPolarHBondContact CB-CE1 3.33Å; Y672-H681 HydrophobicContact CD2-CB 4.27Å; Y672-H681 HydrophobicContact CE1-CB 4.29Å; Y672-H681 HydrophobicContact CE2-CB 3.44Å; Y672-H681 VanDerWaalsContact CE2-CB 3.44Å; Y672-H681 AromaticContact CE2-CD2 3.92Å; Y672-H681 AromaticContact CE2-CG 3.39Å; Y672-H681 AromaticContact CE2-ND1 3.72Å; Y672-H681 VanDerWaalsContact CZ-CB 3.48Å; Y672-H681 AromaticContact CZ-CG 3.65Å; Y672-H681 AromaticContact CZ-ND1 3.69Å; Y672-H681 WeakPolarHBondContact OH-CB 3.46Å; Y672-H681 PolarHBondContact OH-ND1 3.19Å; G677-H681 WeakPolarHBondContact O-CB 3.41Å; G677-H681 PolarHBondContact O-N 3.49Å; L678-H681 WeakPolarHBondContact O-CB 3.1Å; L678-H681 PolarHBondContact O-N 3.25Å; L678-H681 VanDerWaalsContact O-N 3.15Å; H681-A683 PolarHBondContact O-N 3.27Å; H681-N684 CarbonylContact O-C 3.55Å; H681-N684 PolarHBondContact O-N 3.44Å; H681-C685 PolarHBondContact NE2-SG 3.03Å; H681-C685 WeakPolarHBondContact O-CB 3.37Å; H681-C685 PolarHBondContact O-N 2.78Å
682	L	72.6	Confident	69.7	Low	30 Å²	30	63.7 Å²	63.7	16%	0.157	41%	0.409	C	S	.	.	H	α-helix	trans	-60.1	-32.5	-177.9	-72.3	171.3	0	0	0	112.6	F643 W651 C663 L678 N684 C685	F643-L682 HydrophobicContact CE1-CD1 3.91Å; F643-L682 HydrophobicContact CZ-CB 4.11Å; F643-L682 HydrophobicContact CZ-CD1 4.13Å; W651-L682 HydrophobicContact CH2-CD1 3.31Å; W651-L682 HydrophobicContact CZ2-CD1 3.85Å; W651-L682 HydrophobicContact CZ3-CD1 4.02Å; C663-L682 VanDerWaalsContact SG-CD2 3.59Å; L678-L682 HydrophobicContact CD1-CD1 3.98Å; L678-L682 HydrophobicContact CD1-CD2 4.41Å; L678-L682 HydrophobicContact CD1-CG 3.91Å; L678-L682 HydrophobicContact CD2-CD1 4.45Å; L678-L682 HydrophobicContact CG-CD1 3.85Å; L678-L682 HydrophobicContact CG-CG 4.24Å; L678-L682 WeakPolarHBondContact O-CG 3.47Å; L678-L682 PolarHBondContact O-N 3.36Å; L682-N684 PolarHBondContact O-N 2.95Å; L682-C685 PolarHBondContact O-N 3.42Å
683	A	66.1	Low	68.4	Low	46 Å²	46	62.4 Å²	62.4	38%	0.38	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.7	173.1	0	0	0	0	0	114.1	L640 K679 H681	L640-A683 HydrophobicContact CD1-CB 3.59Å; K679-A683 PolarHBondContact O-N 3.25Å; H681-A683 PolarHBondContact O-N 3.27Å
684	N	61.3	Low	67.8	Low	121 Å²	121	61.8 Å²	61.8	65%	0.647	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.3	6.4	-173.6	-67.8	22.4	0	0	0	112.7	H681 L682 S686	H681-N684 CarbonylContact O-C 3.55Å; H681-N684 PolarHBondContact O-N 3.44Å; L682-N684 PolarHBondContact O-N 2.95Å; N684-S686 PolarHBondContact O-N 3.46Å; N684-S686 VanDerWaalsContact O-N 3.11Å
685	C	71.8	Confident	67.7	Low	10 Å²	10	61.6 Å²	61.6	7%	0.068	39%	0.394	C	S	.	.			trans	-80.9	95.4	-170.8	-172	0	0	0	0	111.3	N665 C668 H681 L682 Q687 G688	N665-C685 PolarHBondContact ND2-SG 2.8Å; C668-C685 VanDerWaalsContact SG-SG 3.65Å; H681-C685 PolarHBondContact NE2-SG 3.03Å; H681-C685 WeakPolarHBondContact O-CB 3.37Å; H681-C685 PolarHBondContact O-N 2.78Å; L682-C685 PolarHBondContact O-N 3.42Å; C685-Q687 PolarHBondContact O-N 3.2Å; C685-G688 PolarHBondContact O-N 3.06Å
686	S	61.6	Low	67.5	Low	96 Å²	96	62.1 Å²	62.1	67%	0.671	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	5	179.1	68.9	0	0	0	0	115.5	N684	N684-S686 PolarHBondContact O-N 3.46Å; N684-S686 VanDerWaalsContact O-N 3.11Å
687	Q	61.9	Low	67.7	Low	86 Å²	86	57.6 Å²	57.6	40%	0.402	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-26.8	179.8	-66.6	-65.6	-4.5	0	0	111.1	N667 C668 C685 G689	N667-Q687 HydrophobicContact CB-CB 4.31Å; N667-Q687 VanDerWaalsContact CG-O 3.27Å; N667-Q687 PolarHBondContact ND2-O 3.14Å; N667-Q687 PolarHBondContact ND2-OE1 3.42Å; N667-Q687 WeakPolarHBondContact O-CG 3.5Å; N667-Q687 PolarHBondContact OD1-O 2.81Å; C668-Q687 HydrophobicContact CB-CB 4.03Å; C668-Q687 HydrophobicContact CB-CG 4.43Å; C685-Q687 PolarHBondContact O-N 3.2Å; Q687-G689 PolarHBondContact O-N 3.2Å; Q687-G689 VanDerWaalsContact O-N 3.17Å
688	G	54.1	Low	67.8	Low	19 Å²	19	60.3 Å²	60.3	20%	0.196	38%	0.375	C	S	.	.	S	Bend	trans	-68.2	113.2	172.6	0	0	0	0	0	111	N665 C685 G690	N665-G688 VanDerWaalsContact ND2-CA 3.33Å; N665-G688 WeakPolarHBondContact ND2-CA 3.42Å; N665-G688 PolarHBondContact ND2-N 3.16Å; N665-G688 WeakPolarHBondContact OD1-CA 3.37Å; C685-G688 PolarHBondContact O-N 3.06Å; G688-G690 PolarHBondContact O-N 3.26Å
689	G	44.9	Very low	67.7	Low	93 Å²	93	63.7 Å²	63.7	96%	0.959	39%	0.393	S	S	*	.			trans	-72.1	34.1	-176.2	0	0	0	0	0	115.9	Q687	Q687-G689 PolarHBondContact O-N 3.2Å; Q687-G689 VanDerWaalsContact O-N 3.17Å
690	G	47.3	Very low	68	Low	56 Å²	56	62.7 Å²	62.7	58%	0.577	39%	0.394	S	S	*	.	S	Bend	trans	-94	151.9	162.6	0	0	0	0	0	109.7	G688 M692	G688-G690 PolarHBondContact O-N 3.26Å; G690-M692 PolarHBondContact O-N 3.19Å
691	E	45.8	Very low	68.2	Low	167 Å²	167	67.7 Å²	67.7	78%	0.78	41%	0.407	S	S	*	.			trans	-55.2	118.9	174.2	-67.9	-165.3	-177.2	0	0	110.2	G693	E691-G693 PolarHBondContact O-N 3.48Å
692	M	54	Low	68.2	Low	93 Å²	93	72 Å²	72	46%	0.458	43%	0.425	S	S	.	.			trans	-60.7	105	166	-85.7	-172.1	159.4	0	0	107.4	G690 K694	G690-M692 PolarHBondContact O-N 3.19Å; M692-K694 WeakPolarHBondContact O-CG 3.46Å; M692-K694 PolarHBondContact O-N 3.26Å
693	G	59.2	Low	68.8	Low	43 Å²	43	75.9 Å²	75.9	44%	0.443	44%	0.442	S	S	.	.			trans	-46.6	133.6	176.8	0	0	0	0	0	109.1	P638 E691	P638-G693 VanDerWaalsContact CB-O 3.3Å; P638-G693 WeakPolarHBondContact CB-O 3.35Å; P638-G693 VanDerWaalsContact CG-C 3.47Å; P638-G693 WeakPolarHBondContact CG-O 3.41Å; E691-G693 PolarHBondContact O-N 3.48Å
694	K	73.5	Confident	69.5	Low	80 Å²	80	76 Å²	76	35%	0.348	44%	0.435	S	S	.	.			trans	-95.7	140.4	-161.5	-52.1	162.2	-165.1	161.5	0	109.9	M692 T696 E703	M692-K694 WeakPolarHBondContact O-CG 3.46Å; M692-K694 PolarHBondContact O-N 3.26Å; K694-T696 PolarHBondContact O-N 3.18Å; K694-T696 VanDerWaalsContact O-N 3.12Å; K694-E703 HydrophobicContact CB-CB 3.9Å; K694-E703 HydrophobicContact CD-CB 3.83Å; K694-E703 HydrophobicContact CD-CG 4.08Å; K694-E703 VanDerWaalsContact CD-OE1 3.31Å; K694-E703 WeakPolarHBondContact CD-OE1 3.37Å; K694-E703 WeakPolarHBondContact CD-OE2 3.33Å; K694-E703 WeakPolarHBondContact CE-OE2 3.35Å; K694-E703 HydrophobicContact CG-CB 4.46Å; K694-E703 VanDerWaalsContact NZ-CD 3.33Å; K694-E703 IonicContact NZ-OE1 2.64Å; K694-E703 PolarHBondContact NZ-OE1 3.23Å; K694-E703 IonicContact NZ-OE2 3.95Å; K694-E703 PolarHBondContact NZ-OE2 2.97Å
695	Y	81.3	Confident	70.1	Confident	44 Å²	44	75.5 Å²	75.5	17%	0.173	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	103.9	175.4	-69	-100.2	0	0	0	108.8	Y635 T636 R637 P638 F704 E707 V710	Y635-Y695 HydrophobicContact CD2-CD1 4.08Å; Y635-Y695 HydrophobicContact CE2-CD1 4.14Å; T636-Y695 WeakPolarHBondContact O-CA 3.41Å; R637-Y695 HydrophobicContact CB-CE1 4.48Å; R637-Y695 HydrophobicContact CG-CE1 3.95Å; P638-Y695 VanDerWaalsContact CD-CE1 3.47Å; P638-Y695 HydrophobicContact CG-CD1 4.35Å; P638-Y695 HydrophobicContact CG-CD2 3.81Å; P638-Y695 HydrophobicContact CG-CE1 4.35Å; P638-Y695 HydrophobicContact CG-CE2 3.81Å; P638-Y695 HydrophobicContact CG-CG 4.08Å; Y695-F704 WeakPolarHBondContact CB-O 3.47Å; Y695-F704 PolarHBondContact N-O 2.84Å; Y695-F704 PolarHBondContact O-N 3.24Å; Y695-E707 HydrophobicContact CD1-CB 3.93Å; Y695-E707 HydrophobicContact CD1-CG 4.12Å; Y695-E707 HydrophobicContact CE1-CB 3.41Å; Y695-E707 VanDerWaalsContact CE1-CB 3.41Å; Y695-E707 HydrophobicContact CE1-CG 3.75Å; Y695-V710 HydrophobicContact CD1-CG1 4.27Å; Y695-V710 HydrophobicContact CG-CG1 4.39Å
696	T	79.1	Confident	70.4	Confident	39 Å²	39	77.3 Å²	77.3	24%	0.239	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	128.6	-178.2	53.8	0	0	0	0	111.7	Y635 T636 K694 L698 K702 E703	Y635-T696 CarbonylContact C-O 3.59Å; Y635-T696 WeakPolarHBondContact CA-O 3.3Å; Y635-T696 WeakPolarHBondContact CB-O 3.47Å; T636-T696 VanDerWaalsContact CB-OG1 3.22Å; T636-T696 WeakPolarHBondContact CB-OG1 3.28Å; T636-T696 PolarHBondContact N-O 3.21Å; T636-T696 PolarHBondContact OG1-OG1 3.07Å; K694-T696 PolarHBondContact O-N 3.18Å; K694-T696 VanDerWaalsContact O-N 3.12Å; T696-L698 PolarHBondContact O-N 3.08Å; T696-K702 WeakPolarHBondContact CA-O 3.48Å; T696-E703 HydrophobicContact CG2-CG 4.2Å
697	C	87.6	Confident	71.2	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	118.2	172.3	179.9	0	0	0	0	110	I699 C700 Q701 K702 F704 V710 H713	C697-I699 PolarHBondContact O-N 3.33Å; C697-I699 VanDerWaalsContact O-N 3.09Å; C697-C700 PolarHBondContact O-N 3.42Å; C697-Q701 WeakPolarHBondContact O-CA 3.34Å; C697-Q701 PolarHBondContact O-N 3.4Å; C697-K702 PolarHBondContact N-O 3.26Å; C697-F704 HydrophobicContact CB-CE2 4.28Å; C697-V710 HydrophobicContact CB-CG2 3.94Å; C697-H713 PolarHBondContact SG-NE2 3.28Å
698	L	82.8	Confident	72	Confident	78 Å²	78	74.9 Å²	74.9	41%	0.408	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	5.6	-179.1	-66.7	170.8	0	0	0	113.6	N634 T636 T696	N634-L698 WeakPolarHBondContact O-CB 3.42Å; N634-L698 PolarHBondContact O-N 2.98Å; T636-L698 WeakPolarHBondContact OG1-CD2 3.18Å; T696-L698 PolarHBondContact O-N 3.08Å
699	I	80.6	Confident	73.5	Confident	71 Å²	71	75 Å²	75	36%	0.364	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-28.7	176.6	-46.6	177.5	0	0	0	111.6	N634 C697 I714 H718 Q720	N634-I699 HydrophobicContact CB-CD1 4.02Å; N634-I699 HydrophobicContact CB-CG1 4.17Å; C697-I699 PolarHBondContact O-N 3.33Å; C697-I699 VanDerWaalsContact O-N 3.09Å; I699-I714 HydrophobicContact CD1-CG2 4.01Å; I699-H718 HydrophobicContact CD1-CB 3.85Å; I699-H718 HydrophobicContact CG2-CB 4.39Å; I699-H718 WeakPolarHBondContact CG2-ND1 3.2Å; I699-Q720 HydrophobicContact CD1-CB 4.36Å; I699-Q720 HydrophobicContact CD1-CG 4.48Å
700	C	84.1	Confident	75.4	Confident	50 Å²	50	70.5 Å²	70.5	34%	0.338	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.7	9	179.2	69.4	0	0	0	0	115.6	C697 K702 H713 H718	C697-C700 PolarHBondContact O-N 3.42Å; C700-K702 PolarHBondContact O-N 2.94Å; C700-H713 VanDerWaalsContact SG-CE1 3.58Å; C700-H713 PolarHBondContact SG-NE2 3.33Å; C700-H718 PolarHBondContact SG-NE2 3.48Å
701	Q	82.7	Confident	77.2	Confident	168 Å²	168	70.3 Å²	70.3	79%	0.785	38%	0.38	S	S	*	.			trans	59.6	8.1	179.8	-56.8	-171.6	90.2	0	0	116.4	C697 E703	C697-Q701 WeakPolarHBondContact O-CA 3.34Å; C697-Q701 PolarHBondContact O-N 3.4Å; Q701-E703 PolarHBondContact O-N 2.83Å
702	K	81.1	Confident	79.1	Confident	122 Å²	122	69.8 Å²	69.8	53%	0.53	37%	0.372	S	S	.	.			trans	-60.1	133.6	173.2	-73.5	-170	177.8	-159.9	0	111.9	T696 C697 C700 F704	T696-K702 WeakPolarHBondContact CA-O 3.48Å; C697-K702 PolarHBondContact N-O 3.26Å; C700-K702 PolarHBondContact O-N 2.94Å; K702-F704 HydrophobicContact CB-CE2 3.61Å; K702-F704 HydrophobicContact CB-CZ 3.9Å; K702-F704 WeakPolarHBondContact O-CD2 3.45Å; K702-F704 WeakPolarHBondContact O-CE2 3.44Å
703	E	84.1	Confident	80.7	Confident	112 Å²	112	65.9 Å²	65.9	52%	0.523	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	139.1	179.8	-50.9	-171.2	123.8	0	0	111.3	K694 T696 Q701	K694-E703 HydrophobicContact CB-CB 3.9Å; K694-E703 HydrophobicContact CD-CB 3.83Å; K694-E703 HydrophobicContact CD-CG 4.08Å; K694-E703 VanDerWaalsContact CD-OE1 3.31Å; K694-E703 WeakPolarHBondContact CD-OE1 3.37Å; K694-E703 WeakPolarHBondContact CD-OE2 3.33Å; K694-E703 WeakPolarHBondContact CE-OE2 3.35Å; K694-E703 HydrophobicContact CG-CB 4.46Å; K694-E703 VanDerWaalsContact NZ-CD 3.33Å; K694-E703 IonicContact NZ-OE1 2.64Å; K694-E703 PolarHBondContact NZ-OE1 3.23Å; K694-E703 IonicContact NZ-OE2 3.95Å; K694-E703 PolarHBondContact NZ-OE2 2.97Å; T696-E703 HydrophobicContact CG2-CG 4.2Å; Q701-E703 PolarHBondContact O-N 2.83Å
704	F	81.2	Confident	82.1	Confident	49 Å²	49	63.8 Å²	63.8	22%	0.215	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.8	176.2	-61.9	-89.9	0	0	0	111.4	Y695 C697 K702 S706 V710 H713	Y695-F704 WeakPolarHBondContact CB-O 3.47Å; Y695-F704 PolarHBondContact N-O 2.84Å; Y695-F704 PolarHBondContact O-N 3.24Å; C697-F704 HydrophobicContact CB-CE2 4.28Å; K702-F704 HydrophobicContact CB-CE2 3.61Å; K702-F704 HydrophobicContact CB-CZ 3.9Å; K702-F704 WeakPolarHBondContact O-CD2 3.45Å; K702-F704 WeakPolarHBondContact O-CE2 3.44Å; F704-S706 PolarHBondContact O-N 2.88Å; F704-V710 HydrophobicContact CB-CB 4.13Å; F704-V710 HydrophobicContact CD2-CB 3.69Å; F704-V710 HydrophobicContact CD2-CG2 3.64Å; F704-V710 HydrophobicContact CE2-CB 4.44Å; F704-V710 HydrophobicContact CE2-CG2 4.08Å; F704-V710 HydrophobicContact CG-CB 4.03Å; F704-V710 HydrophobicContact CG-CG2 4.47Å; F704-H713 HydrophobicContact CE1-CB 3.81Å; F704-H713 HydrophobicContact CE2-CB 4.03Å; F704-H713 AromaticContact CE2-CD2 3.28Å; F704-H713 WeakPolarHBondContact CE2-CD2 3.29Å; F704-H713 AromaticContact CE2-CG 3.71Å; F704-H713 HydrophobicContact CZ-CB 3.44Å; F704-H713 VanDerWaalsContact CZ-CB 3.44Å; F704-H713 AromaticContact CZ-CD2 3.32Å; F704-H713 WeakPolarHBondContact CZ-CD2 3.4Å; F704-H713 AromaticContact CZ-CG 3.23Å; F704-H713 AromaticContact CZ-ND1 3.92Å
705	S	73.8	Confident	82.5	Confident	109 Å²	109	63.7 Å²	63.7	76%	0.762	34%	0.34	S	S	*	.	S	Bend	trans	-75.3	-2.9	176.3	53.4	0	0	0	0	114.4
706	S	77.2	Confident	82.8	Confident	48 Å²	48	68.4 Å²	68.4	34%	0.336	36%	0.362	S	S	.	.	S	Bend	trans	-149.8	149.8	-179.6	66.6	0	0	0	0	113.9	F704 S708 G709 V710	F704-S706 PolarHBondContact O-N 2.88Å; S706-S708 VanDerWaalsContact C-N 3.25Å; S706-S708 PolarHBondContact O-N 3.29Å; S706-G709 PolarHBondContact O-N 3.32Å; S706-G709 VanDerWaalsContact O-N 3.13Å; S706-G709 PolarHBondContact OG-N 3.36Å; S706-G709 VanDerWaalsContact OG-N 3.12Å; S706-V710 PolarHBondContact O-N 2.96Å
707	E	79.6	Confident	83	Confident	38 Å²	38	70.8 Å²	70.8	18%	0.178	38%	0.376	C	S	.	.	H	α-helix	trans	-61.9	-35	175.8	-164	168.1	115.1	0	0	112.2	Y635 R637 Y695 V710 K711	Y635-E707 HydrophobicContact CE2-CG 3.8Å; Y635-E707 VanDerWaalsContact OH-CD 3.26Å; Y635-E707 PolarHBondContact OH-OE1 2.72Å; R637-E707 IonicContact CZ-OE2 3.09Å; R637-E707 IonicContact NE-OE2 3.49Å; R637-E707 PolarHBondContact NE-OE2 3.35Å; R637-E707 IonicContact NH2-OE1 2.89Å; R637-E707 PolarHBondContact NH2-OE1 3.18Å; R637-E707 IonicContact NH2-OE2 2.69Å; R637-E707 PolarHBondContact NH2-OE2 3.46Å; Y695-E707 HydrophobicContact CD1-CB 3.93Å; Y695-E707 HydrophobicContact CD1-CG 4.12Å; Y695-E707 HydrophobicContact CE1-CB 3.41Å; Y695-E707 VanDerWaalsContact CE1-CB 3.41Å; Y695-E707 HydrophobicContact CE1-CG 3.75Å; E707-V710 WeakPolarHBondContact O-CG1 3.24Å; E707-K711 HydrophobicContact CG-CD 4.16Å; E707-K711 WeakPolarHBondContact O-CB 3.42Å; E707-K711 VanDerWaalsContact O-CG 3.29Å; E707-K711 WeakPolarHBondContact O-CG 3.31Å; E707-K711 PolarHBondContact O-N 3.24Å; E707-K711 IonicContact OE1-NZ 2.62Å; E707-K711 PolarHBondContact OE1-NZ 3.28Å
708	S	78.1	Confident	82.7	Confident	94 Å²	94	72.9 Å²	72.9	66%	0.657	39%	0.386	S	S	*	.	H	α-helix	trans	-64.8	-40.3	174.7	-57.2	0	0	0	0	111.9	S706 K711 Y712	S706-S708 VanDerWaalsContact C-N 3.25Å; S706-S708 PolarHBondContact O-N 3.29Å; S708-K711 PolarHBondContact O-N 3.15Å; S708-Y712 WeakPolarHBondContact O-CB 3.39Å; S708-Y712 PolarHBondContact O-N 2.86Å
709	G	85	Confident	82.4	Confident	20 Å²	20	74.5 Å²	74.5	21%	0.206	40%	0.404	C	S	.	.	H	α-helix	trans	-61.5	-51.3	177.1	0	0	0	0	0	112.3	S706 K711 Y712 H713	S706-G709 PolarHBondContact O-N 3.32Å; S706-G709 VanDerWaalsContact O-N 3.13Å; S706-G709 PolarHBondContact OG-N 3.36Å; S706-G709 VanDerWaalsContact OG-N 3.12Å; G709-K711 PolarHBondContact O-N 3.07Å; G709-Y712 PolarHBondContact O-N 3.37Å; G709-H713 WeakPolarHBondContact O-CB 3.31Å; G709-H713 PolarHBondContact O-N 3.22Å
710	V	84.6	Confident	82.2	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-66.6	-36.6	179.5	76.1	0	0	0	0	112.2	Y635 Y695 C697 F704 S706 E707 H713 I714	Y635-V710 HydrophobicContact CD1-CG1 4.03Å; Y635-V710 HydrophobicContact CD2-CG1 3.66Å; Y635-V710 HydrophobicContact CE2-CG1 4.25Å; Y635-V710 HydrophobicContact CG-CG1 3.54Å; Y635-V710 HydrophobicContact CG-CG2 4.26Å; Y695-V710 HydrophobicContact CD1-CG1 4.27Å; Y695-V710 HydrophobicContact CG-CG1 4.39Å; C697-V710 HydrophobicContact CB-CG2 3.94Å; F704-V710 HydrophobicContact CB-CB 4.13Å; F704-V710 HydrophobicContact CD2-CB 3.69Å; F704-V710 HydrophobicContact CD2-CG2 3.64Å; F704-V710 HydrophobicContact CE2-CB 4.44Å; F704-V710 HydrophobicContact CE2-CG2 4.08Å; F704-V710 HydrophobicContact CG-CB 4.03Å; F704-V710 HydrophobicContact CG-CG2 4.47Å; S706-V710 PolarHBondContact O-N 2.96Å; E707-V710 WeakPolarHBondContact O-CG1 3.24Å; V710-H713 PolarHBondContact O-N 3.42Å; V710-I714 HydrophobicContact CG2-CD1 4.08Å; V710-I714 WeakPolarHBondContact O-CG1 3.35Å; V710-I714 PolarHBondContact O-N 2.85Å
711	K	85.7	Confident	81.9	Confident	52 Å²	52	79.5 Å²	79.5	23%	0.226	42%	0.424	C	S	.	.	H	α-helix	trans	-64.8	-44.3	174.8	-79.3	173.7	173.3	167.3	0	112.4	Y635 E707 S708 G709 S715 W722	Y635-K711 HydrophobicContact CE1-CG 3.94Å; Y635-K711 WeakPolarHBondContact OH-CE 3.45Å; Y635-K711 PolarHBondContact OH-NZ 2.87Å; E707-K711 HydrophobicContact CG-CD 4.16Å; E707-K711 WeakPolarHBondContact O-CB 3.42Å; E707-K711 VanDerWaalsContact O-CG 3.29Å; E707-K711 WeakPolarHBondContact O-CG 3.31Å; E707-K711 PolarHBondContact O-N 3.24Å; E707-K711 IonicContact OE1-NZ 2.62Å; E707-K711 PolarHBondContact OE1-NZ 3.28Å; S708-K711 PolarHBondContact O-N 3.15Å; G709-K711 PolarHBondContact O-N 3.07Å; K711-S715 WeakPolarHBondContact O-CB 3.45Å; K711-S715 PolarHBondContact O-N 3.31Å; K711-S715 VanDerWaalsContact O-N 3.12Å; K711-W722 HydrophobicContact CD-CD2 4.39Å; K711-W722 HydrophobicContact CG-CB 4.4Å; K711-W722 HydrophobicContact CG-CD2 4.29Å; K711-W722 HydrophobicContact CG-CG 4.23Å
712	Y	85.6	Confident	81.6	Confident	156 Å²	156	75.4 Å²	75.4	61%	0.612	40%	0.402	S	S	*	.	H	α-helix	trans	-60.5	-48.7	174.4	178.6	-94.2	0	0	0	110.4	S708 G709 I714 S715 K716	S708-Y712 WeakPolarHBondContact O-CB 3.39Å; S708-Y712 PolarHBondContact O-N 2.86Å; G709-Y712 PolarHBondContact O-N 3.37Å; Y712-I714 PolarHBondContact O-N 2.94Å; Y712-S715 PolarHBondContact O-N 2.52Å; Y712-K716 HydrophobicContact CD1-CB 4.21Å; Y712-K716 HydrophobicContact CE1-CB 3.88Å; Y712-K716 HydrophobicContact CE1-CG 3.81Å; Y712-K716 WeakPolarHBondContact O-CB 3.39Å; Y712-K716 PolarHBondContact O-N 3.36Å
713	H	88.8	Confident	81.3	Confident	10 Å²	10	73 Å²	73	5%	0.046	39%	0.391	C	S	.	.	H	α-helix	trans	-59.6	-43.7	178.5	161.3	61.4	0	0	0	113.2	C697 C700 F704 G709 V710 S715 K716 T717 H718	C697-H713 PolarHBondContact SG-NE2 3.28Å; C700-H713 VanDerWaalsContact SG-CE1 3.58Å; C700-H713 PolarHBondContact SG-NE2 3.33Å; F704-H713 HydrophobicContact CE1-CB 3.81Å; F704-H713 HydrophobicContact CE2-CB 4.03Å; F704-H713 AromaticContact CE2-CD2 3.28Å; F704-H713 WeakPolarHBondContact CE2-CD2 3.29Å; F704-H713 AromaticContact CE2-CG 3.71Å; F704-H713 HydrophobicContact CZ-CB 3.44Å; F704-H713 VanDerWaalsContact CZ-CB 3.44Å; F704-H713 AromaticContact CZ-CD2 3.32Å; F704-H713 WeakPolarHBondContact CZ-CD2 3.4Å; F704-H713 AromaticContact CZ-CG 3.23Å; F704-H713 AromaticContact CZ-ND1 3.92Å; G709-H713 WeakPolarHBondContact O-CB 3.31Å; G709-H713 PolarHBondContact O-N 3.22Å; V710-H713 PolarHBondContact O-N 3.42Å; H713-S715 PolarHBondContact O-N 2.72Å; H713-K716 PolarHBondContact O-N 3.31Å; H713-T717 VanDerWaalsContact ND1-CB 3.34Å; H713-T717 WeakPolarHBondContact ND1-CB 3.48Å; H713-T717 PolarHBondContact ND1-OG1 2.64Å; H713-T717 WeakPolarHBondContact O-CA 3.45Å; H713-T717 VanDerWaalsContact O-CB 3.23Å; H713-T717 WeakPolarHBondContact O-CB 3.34Å; H713-T717 PolarHBondContact O-N 3.31Å; H713-T717 PolarHBondContact O-OG1 3.27Å; H713-H718 AromaticContact CE1-CD2 3.91Å; H713-H718 AromaticContact CE1-NE2 3.56Å; H713-H718 AromaticContact NE2-CD2 3.75Å; H713-H718 AromaticContact NE2-NE2 3.44Å; H713-H718 PolarHBondContact NE2-NE2 3.2Å
714	I	87.6	Confident	80.9	Confident	0 Å²	0	73 Å²	73	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-62.2	-45.7	176.4	-69.5	160.9	0	0	0	111	N634 Y635 I699 V710 Y712 K716 H718 S719 Q720 W722	N634-I714 HydrophobicContact CB-CD1 4.07Å; N634-I714 HydrophobicContact CB-CG2 4.45Å; N634-I714 VanDerWaalsContact O-CD1 3.28Å; N634-I714 WeakPolarHBondContact O-CD1 3.42Å; Y635-I714 HydrophobicContact CD1-CD1 3.94Å; Y635-I714 HydrophobicContact CG-CD1 4.4Å; I699-I714 HydrophobicContact CD1-CG2 4.01Å; V710-I714 HydrophobicContact CG2-CD1 4.08Å; V710-I714 WeakPolarHBondContact O-CG1 3.35Å; V710-I714 PolarHBondContact O-N 2.85Å; Y712-I714 PolarHBondContact O-N 2.94Å; I714-K716 PolarHBondContact O-N 3.48Å; I714-H718 CarbonylContact O-C 3.34Å; I714-H718 WeakPolarHBondContact O-CA 2.99Å; I714-H718 WeakPolarHBondContact O-CB 3.19Å; I714-H718 PolarHBondContact O-N 2.95Å; I714-H718 VanDerWaalsContact O-N 3.15Å; I714-S719 PolarHBondContact O-N 3.25Å; I714-Q720 WeakPolarHBondContact CG2-O 3.34Å; I714-W722 HydrophobicContact CD1-CB 4.42Å; I714-W722 HydrophobicContact CG2-CB 4.23Å
715	S	82.9	Confident	79	Confident	78 Å²	78	75.1 Å²	75.1	55%	0.545	41%	0.413	S	S	.	.	H	α-helix	trans	-64.2	-37.6	177.4	-170.8	0	0	0	0	112.8	K711 Y712 H713 S719	K711-S715 WeakPolarHBondContact O-CB 3.45Å; K711-S715 PolarHBondContact O-N 3.31Å; K711-S715 VanDerWaalsContact O-N 3.12Å; Y712-S715 PolarHBondContact O-N 2.52Å; H713-S715 PolarHBondContact O-N 2.72Å; S715-S719 WeakPolarHBondContact O-CA 3.41Å
716	K	85.9	Confident	77.5	Confident	143 Å²	143	73.9 Å²	73.9	62%	0.622	40%	0.404	S	S	*	.	H	α-helix	trans	-92.6	-34.9	-170.9	-175	60.2	173.5	175.1	0	114.7	Y712 H713 I714	Y712-K716 HydrophobicContact CD1-CB 4.21Å; Y712-K716 HydrophobicContact CE1-CB 3.88Å; Y712-K716 HydrophobicContact CE1-CG 3.81Å; Y712-K716 WeakPolarHBondContact O-CB 3.39Å; Y712-K716 PolarHBondContact O-N 3.36Å; H713-K716 PolarHBondContact O-N 3.31Å; I714-K716 PolarHBondContact O-N 3.48Å
717	T	84.1	Confident	75.4	Confident	88 Å²	88	78.2 Å²	78.2	54%	0.54	43%	0.429	S	S	.	.	H	α-helix	trans	-101.7	-31.1	-175.9	-51.5	0	0	0	0	112.5	H713	H713-T717 VanDerWaalsContact ND1-CB 3.34Å; H713-T717 WeakPolarHBondContact ND1-CB 3.48Å; H713-T717 PolarHBondContact ND1-OG1 2.64Å; H713-T717 WeakPolarHBondContact O-CA 3.45Å; H713-T717 VanDerWaalsContact O-CB 3.23Å; H713-T717 WeakPolarHBondContact O-CB 3.34Å; H713-T717 PolarHBondContact O-N 3.31Å; H713-T717 PolarHBondContact O-OG1 3.27Å
718	H	82.3	Confident	73.1	Confident	45 Å²	45	81.8 Å²	81.8	21%	0.208	46%	0.458	C	S	.	.	S	Bend	trans	-105.9	-6.5	179.1	-62.7	-61.3	0	0	0	113.6	I699 C700 H713 I714 Q720	I699-H718 HydrophobicContact CD1-CB 3.85Å; I699-H718 HydrophobicContact CG2-CB 4.39Å; I699-H718 WeakPolarHBondContact CG2-ND1 3.2Å; C700-H718 PolarHBondContact SG-NE2 3.48Å; H713-H718 AromaticContact CE1-CD2 3.91Å; H713-H718 AromaticContact CE1-NE2 3.56Å; H713-H718 AromaticContact NE2-CD2 3.75Å; H713-H718 AromaticContact NE2-NE2 3.44Å; H713-H718 PolarHBondContact NE2-NE2 3.2Å; I714-H718 CarbonylContact O-C 3.34Å; I714-H718 WeakPolarHBondContact O-CA 2.99Å; I714-H718 WeakPolarHBondContact O-CB 3.19Å; I714-H718 PolarHBondContact O-N 2.95Å; I714-H718 VanDerWaalsContact O-N 3.15Å; H718-Q720 HydrophobicContact CB-CB 4.24Å; H718-Q720 PolarHBondContact O-N 3.18Å
719	S	76.1	Confident	71	Confident	112 Å²	112	85.7 Å²	85.7	78%	0.783	47%	0.466	S	S	*	.			trans	52.3	18.6	-176.6	55.1	0	0	0	0	114.6	I714 S715	I714-S719 PolarHBondContact O-N 3.25Å; S715-S719 WeakPolarHBondContact O-CA 3.41Å
720	Q	75.4	Confident	68.3	Low	110 Å²	110	88.3 Å²	88.3	51%	0.514	49%	0.493	S	S	.	.	S	Bend	trans	-110.3	153.4	-168.2	-170.1	65.3	-13.4	0	0	109.9	I699 I714 H718	I699-Q720 HydrophobicContact CD1-CB 4.36Å; I699-Q720 HydrophobicContact CD1-CG 4.48Å; I714-Q720 WeakPolarHBondContact CG2-O 3.34Å; H718-Q720 HydrophobicContact CB-CB 4.24Å; H718-Q720 PolarHBondContact O-N 3.18Å
721	N	78.8	Confident	65.9	Low	115 Å²	115	94 Å²	94	62%	0.615	53%	0.528	S	S	*	.			trans	-60.4	140.4	168.8	-75	-69.6	0	0	0	110.5	N634 F723	N634-N721 PolarHBondContact ND2-O 3.06Å; N721-F723 PolarHBondContact O-N 3.13Å
722	W	75.4	Confident	63.1	Low	83 Å²	83	97.8 Å²	97.8	31%	0.314	56%	0.561	S	S	.	*	S	Bend	trans	-72.5	-3.5	173.8	54.8	-89.2	0	0	0	113.1	L633 N634 Y635 K711 I714	L633-W722 HydrophobicContact CD2-CE3 3.84Å; L633-W722 HydrophobicContact CD2-CZ3 3.89Å; N634-W722 PolarHBondContact N-O 3.44Å; Y635-W722 HydrophobicContact CE1-CB 4.49Å; Y635-W722 AromaticContact CE1-CE3 3.98Å; Y635-W722 HydrophobicContact CE1-CE3 3.98Å; K711-W722 HydrophobicContact CD-CD2 4.39Å; K711-W722 HydrophobicContact CG-CB 4.4Å; K711-W722 HydrophobicContact CG-CD2 4.29Å; K711-W722 HydrophobicContact CG-CG 4.23Å; I714-W722 HydrophobicContact CD1-CB 4.42Å; I714-W722 HydrophobicContact CG2-CB 4.23Å
723	F	75.9	Confident	60.4	Low	70 Å²	70	93.4 Å²	93.4	31%	0.307	56%	0.563	S	S	.	*	B	Isolated β-bridge	trans	-98.5	144.1	162.4	-66.7	-74.8	0	0	0	111.7	P628 R632 L633 N634 N721	P628-F723 HydrophobicContact CB-CE1 3.89Å; P628-F723 HydrophobicContact CG-CE1 4.25Å; P628-F723 HydrophobicContact CG-CZ 4.47Å; R632-F723 CarbonylContact O-C 3.58Å; R632-F723 VanDerWaalsContact O-CA 3.29Å; R632-F723 WeakPolarHBondContact O-CA 3.48Å; L633-F723 HydrophobicContact CD2-CD1 3.84Å; L633-F723 HydrophobicContact CD2-CE1 3.81Å; N634-F723 PolarHBondContact ND2-O 2.94Å; N721-F723 PolarHBondContact O-N 3.13Å
724	R	74.2	Confident	57.5	Low	112 Å²	112	98.7 Å²	98.7	42%	0.423	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-74.4	121.9	160.8	-63	176.1	-170	-103.2	-3.4	108.3	K631 R632 L633 N634 S726	K631-R724 WeakPolarHBondContact O-CD 3.33Å; R632-R724 PolarHBondContact O-N 3.03Å; L633-R724 PolarHBondContact O-NE 3.25Å; N634-R724 WeakPolarHBondContact OD1-CG 3.16Å; N634-R724 PolarHBondContact OD1-NE 3.37Å; R724-S726 PolarHBondContact O-N 3.07Å
725	A	43	Very low	54.8	Low	94 Å²	94	108.5 Å²	108.5	78%	0.777	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-65.9	129.4	170.4	0	0	0	0	0	109.1	T727	A725-T727 PolarHBondContact O-N 3.15Å
726	S	40.8	Very low	52.3	Low	83 Å²	83	110.1 Å²	110.1	58%	0.58	66%	0.655	S	S	*	*			trans	-71.7	115.2	179.6	-57	0	0	0	0	109.9	R724 S728	R724-S726 PolarHBondContact O-N 3.07Å; S726-S728 PolarHBondContact O-N 3.39Å
727	T	32.7	Very low	49.7	Very low	139 Å²	139	113.5 Å²	113.5	85%	0.853	67%	0.67	S	S	*	*			trans	-62	108.1	171.9	-53	0	0	0	0	109.7	A725 Q729	A725-T727 PolarHBondContact O-N 3.15Å; T727-Q729 PolarHBondContact O-N 3.19Å
728	S	31.3	Very low	46.9	Very low	113 Å²	113	113.1 Å²	113.1	79%	0.79	68%	0.683	S	S	*	*			trans	-70.8	107.5	173.2	52.8	0	0	0	0	109.7	S726 G730	S726-S728 PolarHBondContact O-N 3.39Å; S728-G730 VanDerWaalsContact C-N 3.34Å; S728-G730 PolarHBondContact O-N 3.3Å
729	Q	35.1	Very low	44.4	Very low	176 Å²	176	119.2 Å²	119.2	82%	0.822	72%	0.717	S	S	*	*			trans	-74.7	82	-177.4	-171.6	172.5	-4.7	0	0	111.4	T727 V731	T727-Q729 PolarHBondContact O-N 3.19Å; Q729-V731 HydrophobicContact CG-CG2 4.19Å
730	G	27.6	Very low	42.2	Very low	76 Å²	76	121.9 Å²	121.9	78%	0.784	72%	0.717	S	S	*	*			trans	-84.8	111.4	167.8	0	0	0	0	0	110.5	S728	S728-G730 VanDerWaalsContact C-N 3.34Å; S728-G730 PolarHBondContact O-N 3.3Å
731	V	33.6	Very low	39.9	Very low	119 Å²	119	124.1 Å²	124.1	72%	0.721	73%	0.732	S	S	*	*			trans	-93	120.4	-178.8	178.3	0	0	0	0	111.1	Q729	Q729-V731 HydrophobicContact CG-CG2 4.19Å
732	S	28.4	Very low	37.5	Very low	131 Å²	131	126.2 Å²	126.2	92%	0.916	74%	0.743	S	S	*	*			trans	-138.9	110.4	152.9	-79.6	0	0	0	0	107.2
733	G	28.7	Very low	35.1	Very low	64 Å²	64	125.1 Å²	125.1	66%	0.66	76%	0.758	S	S	*	*			trans	-134.4	175	-176.3	0	0	0	0	0	112.7
734	S	27.2	Very low	32.9	Very low	122 Å²	122	131.4 Å²	131.4	85%	0.853	79%	0.785	S	S	*	*			trans	-158.8	117.3	166.6	-87.2	0	0	0	0	113.8
735	K	30.8	Very low	30.7	Very low	206 Å²	206	135.3 Å²	135.3	90%	0.896	81%	0.805	S	S	*	*			trans	34.9	109.9	146.7	-66.1	175.1	176.5	172.2	0	120.5
736	S	30.4	Very low	29.8	Very low	111 Å²	111	134.5 Å²	134.5	78%	0.776	80%	0.799	S	S	*	*				-157.3	118.3	108.8	32.5	0	0	0	0	108
737	K	31.3	Very low	29.1	Very low	214 Å²	214	139 Å²	139	93%	0.93	81%	0.81	S	S	*	*				43.2	100	89.5	-78.7	-161.2	173.4	-168.4	0	112.4
738	G	26.4	Very low	28.9	Very low	80 Å²	80	138.2 Å²	138.2	83%	0.825	81%	0.806	S	S	*	*			trans	-92.2	175	167.5	0	0	0	0	0	112.4
739	L	29.7	Very low	28.8	Very low	174 Å²	174	143.5 Å²	143.5	91%	0.911	81%	0.808	S	S	*	*			trans	-145.3	145	159	-170.7	65.6	0	0	0	107.9
740	E	28.7	Very low	28.4	Very low	168 Å²	168	142.1 Å²	142.1	79%	0.785	81%	0.806	S	S	*	*			trans	-87.1	151.2	178.2	-57	166.9	118.1	0	0	110.4
741	N	27.6	Very low	28.3	Very low	157 Å²	157	142.4 Å²	142.4	84%	0.84	81%	0.809	S	S	*	*				-172.7	168.1	124.8	-109.7	-72.7	0	0	0	113.9
742	N	28.6	Very low	28.1	Very low	158 Å²	158	141.1 Å²	141.1	85%	0.845	81%	0.811	S	S	*	*			trans	-101.6	154.1	-175.6	-68.8	-82.1	0	0	0	112.8
743	G	25.5	Very low	28.2	Very low	60 Å²	60	141.6 Å²	141.6	62%	0.619	81%	0.809	S	S	*	*				105.6	126	122.4	0	0	0	0	0	120.4
744	F	29.1	Very low	28.2	Very low	202 Å²	202	143.9 Å²	143.9	89%	0.886	82%	0.815	S	S	*	*			trans	77	123	138.4	-69.8	-72.7	0	0	0	123.8
745	K	27.3	Very low	28.2	Very low	194 Å²	194	141.2 Å²	141.2	84%	0.843	81%	0.807	S	S	*	*			trans	83.3	122.8	131.5	-96.3	-168	173	-168.3	0	122.8
746	A	25.8	Very low	28.3	Very low	77 Å²	77	141 Å²	141	64%	0.636	81%	0.806	S	S	*	*				92.1	125.8	120	0	0	0	0	0	121.7
747	E	25.5	Very low	28.3	Very low	177 Å²	177	144.5 Å²	144.5	83%	0.827	81%	0.807	S	S	*	*			trans	60	120.1	139.1	-67.3	-174.9	82.5	0	0	123.6
748	V	28.8	Very low	28.3	Very low	124 Å²	124	146.2 Å²	146.2	75%	0.752	81%	0.808	S	S	*	*				45.4	111.8	123.4	-172.4	0	0	0	0	118.1
749	R	29	Very low	28.4	Very low	223 Å²	223	146 Å²	146	84%	0.842	81%	0.806	S	S	*	*				-178.7	157.5	96.7	-161.7	158.5	178.5	170.7	-2.9	113.5
750	N	27.2	Very low	28.7	Very low	147 Å²	147	149.6 Å²	149.6	79%	0.786	81%	0.807	S	S	*	*			trans	-39	152.2	171	-36.8	-16.5	0	0	0	116.2
751	G	24.9	Very low	28.7	Very low	82 Å²	82	149.9 Å²	149.9	85%	0.845	81%	0.806	S	S	*	*			trans	165.4	119.7	155.9	0	0	0	0	0	114.3
752	A	28.8	Very low	29.9	Very low	93 Å²	93	147.8 Å²	147.8	77%	0.769	80%	0.8	S	S	*	*			trans	-104.3	158.3	169.2	0	0	0	0	0	110.4
753	T	30.8	Very low	30	Very low	140 Å²	140	147.1 Å²	147.1	86%	0.859	79%	0.79	S	S	*	*			trans	-176.8	168.4	133.5	21.8	0	0	0	0	113.4
754	S	28.8	Very low	30.2	Very low	113 Å²	113	150 Å²	150	79%	0.79	79%	0.788	S	S	*	*			trans	-18.7	151.7	169.3	51.7	0	0	0	0	120.5
755	G	28.1	Very low	30.1	Very low	66 Å²	66	152.1 Å²	152.1	68%	0.68	79%	0.79	S	S	*	*			cis	125.6	153.5	-3.2	0	0	0	0	0	115.1
756	K	31.7	Very low	30.5	Very low	200 Å²	200	147.1 Å²	147.1	87%	0.87	78%	0.777	S	S	*	*			trans	71.4	152.3	179	-52.9	168.2	-176.3	168.7	0	114.6
757	K	30.6	Very low	30.8	Very low	185 Å²	185	150.6 Å²	150.6	80%	0.804	78%	0.784	S	S	*	*			cis	-163.8	169.8	-19.7	-111	-177.4	179.8	-176.4	0	108.9
758	R	30.9	Very low	31	Very low	251 Å²	251	149.1 Å²	149.1	95%	0.947	78%	0.779	S	S	*	*			trans	99.6	117	-177.3	-58.9	168.3	-156.8	-121.8	5.4	110.9
759	G	28.1	Very low	31	Very low	76 Å²	76	148.5 Å²	148.5	78%	0.784	77%	0.772	S	S	*	*			cis	94.8	129.2	10.8	0	0	0	0	0	110.9
760	R	36.5	Very low	31	Very low	248 Å²	248	146.5 Å²	146.5	94%	0.936	77%	0.772	S	S	*	*			cis	-131.8	132.2	20.9	-54.6	163.9	-178.7	173.9	-2.3	108.6
761	K	30.1	Very low	31	Very low	174 Å²	174	144.3 Å²	144.3	76%	0.757	77%	0.768	S	S	*	*				69	115.7	71.2	-164.1	171.6	-173.3	177.4	0	115.4
762	P	52.1	Low	31.2	Very low	113 Å²	113	146.9 Å²	146.9	73%	0.734	76%	0.762	S	S	*	*			trans	-93.2	175.4	171	39.8	-36.4	0	0	0	112.7
763	K	30.8	Very low	31.2	Very low	144 Å²	144	150.2 Å²	150.2	63%	0.626	76%	0.761	S	S	*	*			trans	-176.6	161.8	168.7	-124.9	91.4	-170.2	-58.3	0	109.2
764	E	29.6	Very low	30.9	Very low	121 Å²	121	149.1 Å²	149.1	57%	0.565	75%	0.754	S	S	*	*			cis	-165.8	167.5	-14.3	-145.7	158.7	-160.7	0	0	111.5	P766	E764-P766 HydrophobicContact CG-CB 4.27Å
765	R	27.3	Very low	31	Very low	246 Å²	246	152.7 Å²	152.7	93%	0.928	76%	0.756	S	S	*	*				-155.4	156.5	105.9	-95.8	-161.8	172.3	102.5	-1.1	110.4
766	P	35.1	Very low	30.9	Very low	90 Å²	90	154.9 Å²	154.9	58%	0.584	76%	0.756	S	S	*	*			trans	-126.3	176.2	-145.8	39.9	-24.1	0	0	0	116.9	E764	E764-P766 HydrophobicContact CG-CB 4.27Å
767	L	32.5	Very low	30.7	Very low	150 Å²	150	152.7 Å²	152.7	79%	0.785	75%	0.754	S	S	*	*			trans	-72.7	175.3	157.1	-96.9	83.9	0	0	0	111.7
768	M	29.7	Very low	30.5	Very low	146 Å²	146	148.2 Å²	148.2	72%	0.719	75%	0.752	S	S	*	*			trans	-168.2	154.7	133	-69.3	-57.2	71.1	0	0	105.9
769	D	28.4	Very low	30.4	Very low	111 Å²	111	143.7 Å²	143.7	59%	0.594	75%	0.745	S	S	*	*			cis	-159.6	152.8	-12.3	-99.1	-10.6	0	0	0	107.7
770	E	29.5	Very low	30.3	Very low	181 Å²	181	145.7 Å²	145.7	85%	0.846	74%	0.742	S	S	*	*				77.5	130.6	63.4	-148.5	173.9	97.3	0	0	112.7
771	S	27.4	Very low	29.8	Very low	101 Å²	101	139.5 Å²	139.5	71%	0.706	73%	0.733	S	S	*	*			cis	-170.7	-169.9	-16.1	-178.3	0	0	0	0	111.7
772	L	27.8	Very low	29.6	Very low	136 Å²	136	135.1 Å²	135.1	71%	0.712	73%	0.729	S	S	*	*			trans	89.5	100.3	157.1	-56.4	-178.2	0	0	0	122.3
773	Q	29	Very low	28.5	Very low	162 Å²	162	137.6 Å²	137.6	76%	0.757	73%	0.73	S	S	*	*				67.3	126	119.2	-67.6	-174.9	-2.3	0	0	124.4
774	T	25.1	Very low	28.3	Very low	117 Å²	117	137.3 Å²	137.3	72%	0.718	74%	0.736	S	S	*	*			trans	78.4	116.7	139.6	46.1	0	0	0	0	123.7
775	K	30.9	Very low	28.3	Very low	188 Å²	188	136.9 Å²	136.9	82%	0.817	75%	0.746	S	S	*	*			trans	77.9	106	133	-74.2	-172.1	173.8	-175.5	0	121.8
776	T	26.6	Very low	29.6	Very low	112 Å²	112	130.9 Å²	130.9	69%	0.687	74%	0.739	S	S	*	*				97.3	123.7	112.3	-62.1	0	0	0	0	120.5
777	D	27.3	Very low	30.6	Very low	155 Å²	155	131.9 Å²	131.9	83%	0.829	75%	0.745	S	S	*	*			trans	81.1	144.6	152.9	-68.7	-16.7	0	0	0	125.5
778	A	26.8	Very low	30.3	Very low	91 Å²	91	128.9 Å²	128.9	75%	0.752	74%	0.742	S	S	*	*			trans	75.4	85.3	148.6	0	0	0	0	0	123
779	L	27.1	Very low	30.3	Very low	155 Å²	155	130.3 Å²	130.3	81%	0.812	75%	0.749	S	S	*	*				59.2	137.1	104.9	-165.5	65.6	0	0	0	122.4
780	T	26.5	Very low	30.3	Very low	118 Å²	118	131 Å²	131	72%	0.724	76%	0.758	S	S	*	*			trans	66.2	159.4	159.6	42.9	0	0	0	0	119.8
781	T	26.4	Very low	31.9	Very low	119 Å²	119	127.9 Å²	127.9	73%	0.73	75%	0.753	S	S	*	*			cis	-176.4	140.8	-36.1	-93.6	0	0	0	0	109.4
782	A	26.3	Very low	33.6	Very low	82 Å²	82	128.6 Å²	128.6	68%	0.678	76%	0.756	S	S	*	*			trans	64.8	165.7	164.7	0	0	0	0	0	117.1
783	Q	27.8	Very low	33.7	Very low	164 Å²	164	126.6 Å²	126.6	77%	0.766	75%	0.753	S	S	*	*			cis	-161.2	153.7	-24.4	-112.6	-179.7	15.2	0	0	111
784	N	26.9	Very low	33.8	Very low	139 Å²	139	130.5 Å²	130.5	74%	0.743	76%	0.761	S	S	*	*			trans	62.8	145.3	145.6	-60.6	-26.6	0	0	0	124.4
785	S	29.3	Very low	34.2	Very low	111 Å²	111	130 Å²	130	78%	0.776	76%	0.761	S	S	*	*			trans	-73.6	-165.6	178.7	-24.9	0	0	0	0	114.5
786	P	56.2	Low	34.1	Very low	120 Å²	120	125.3 Å²	125.3	78%	0.779	76%	0.758	S	S	*	*			cis	-126.2	-129.6	-1.2	30.5	-3	0	0	0	110.5
787	P	56	Low	34.3	Very low	111 Å²	111	128.8 Å²	128.8	72%	0.721	77%	0.766	S	S	*	*			cis	-139.6	-178.3	-21.2	41.9	-22.2	0	0	0	118.1
788	A	26.2	Very low	34.3	Very low	87 Å²	87	126.5 Å²	126.5	72%	0.719	76%	0.763	S	S	*	*			trans	65.6	119.9	143.6	0	0	0	0	0	124.5
789	M	28.3	Very low	35.6	Very low	177 Å²	177	128.1 Å²	128.1	87%	0.872	77%	0.766	S	S	*	*				177.9	158.6	107	-80.8	-130.2	74.5	0	0	112.1
790	T	29.5	Very low	35.7	Very low	125 Å²	125	124.9 Å²	124.9	77%	0.767	76%	0.761	S	S	*	*			trans	-160.3	-179	-176.1	38.3	0	0	0	0	109.2
791	P	63.3	Low	35.8	Very low	116 Å²	116	127.6 Å²	127.6	75%	0.753	77%	0.771	S	S	*	*			cis	-118.5	-138.9	-4.4	39.9	-20	0	0	0	109.9
792	P	62.3	Low	36.2	Very low	116 Å²	116	129.1 Å²	129.1	75%	0.753	77%	0.773	S	S	*	*			cis	-126.7	-140.2	-21.2	41.7	-20.4	0	0	0	111
793	S	29.9	Very low	37.1	Very low	94 Å²	94	130.5 Å²	130.5	66%	0.657	78%	0.775	S	S	*	*			cis	-162.8	130.5	-7.3	43.5	0	0	0	0	113.1
794	R	31.7	Very low	37.1	Very low	244 Å²	244	129.2 Å²	129.2	92%	0.921	77%	0.773	S	S	*	*			trans	58.8	155.1	151.3	-60.3	-170.6	163.2	-161.6	-4.4	119.5
795	S	32	Very low	37.1	Very low	105 Å²	105	130.2 Å²	130.2	73%	0.734	77%	0.773	S	S	*	*			cis	-151.2	149.6	12.3	-33.1	0	0	0	0	113.9
796	A	29.6	Very low	37	Very low	90 Å²	90	130.6 Å²	130.6	74%	0.744	77%	0.771	S	S	*	*			trans	56.8	156	141.5	0	0	0	0	0	121.7
797	Q	30.2	Very low	35.7	Very low	185 Å²	185	131.6 Å²	131.6	86%	0.864	77%	0.77	S	S	*	*			cis	-161.9	-178.2	-18.3	-115.1	175	-9.2	0	0	110.9
798	S	28.3	Very low	34.3	Very low	108 Å²	108	130.6 Å²	130.6	76%	0.755	77%	0.765	S	S	*	*			trans	-144.2	-174	171.9	-50.4	0	0	0	0	107.9
799	P	54.1	Low	34.4	Very low	125 Å²	125	134.1 Å²	134.1	81%	0.812	77%	0.772	S	S	*	*			cis	-146.6	-162.9	9.6	38.7	-13.9	0	0	0	116.7
800	A	28.9	Very low	34.8	Very low	87 Å²	87	131.9 Å²	131.9	72%	0.719	76%	0.764	S	S	*	*			trans	115.4	139.8	133.3	0	0	0	0	0	123
801	L	29.3	Very low	35.5	Very low	175 Å²	175	132.3 Å²	132.3	92%	0.916	77%	0.769	S	S	*	*			trans	82.5	157	148.7	-73.7	164.7	0	0	0	123.9
802	I	33.9	Very low	33.9	Very low	151 Å²	151	129.4 Å²	129.4	77%	0.774	76%	0.759	S	S	*	*			trans	-146.5	136	-174.1	-70.4	175.2	0	0	0	103.5
803	P	45.1	Very low	32.4	Very low	111 Å²	111	132.9 Å²	132.9	72%	0.721	77%	0.766	S	S	*	*				-160.9	177	76.4	45.3	-23.8	0	0	0	120.4
804	D	27.4	Very low	32.4	Very low	136 Å²	136	135.3 Å²	135.3	73%	0.727	77%	0.767	S	S	*	*			trans	83.8	178.2	138.9	-111.9	-48.5	0	0	0	124.3
805	Q	27.7	Very low	32.4	Very low	161 Å²	161	132.6 Å²	132.6	75%	0.752	76%	0.756	S	S	*	*			trans	-96	149.9	-149.4	-83.4	165.3	92.8	0	0	117.3
806	T	28	Very low	32.4	Very low	119 Å²	119	134.8 Å²	134.8	73%	0.73	76%	0.755	S	S	*	*			trans	59.9	142.2	132.1	-49.3	0	0	0	0	122.1
807	D	27.4	Very low	32.4	Very low	141 Å²	141	137.2 Å²	137.2	75%	0.754	75%	0.754	S	S	*	*			trans	114.8	159.8	146.4	-117.7	-51.2	0	0	0	119.5
808	S	27.6	Very low	33.1	Very low	89 Å²	89	134 Å²	134	62%	0.622	75%	0.749	S	S	*	*			trans	-37.3	162.8	-171.4	-62.9	0	0	0	0	118.2
809	D	28.1	Very low	34.1	Very low	162 Å²	162	134.3 Å²	134.3	87%	0.866	75%	0.749	S	S	*	*			cis	-149.3	157.3	48.4	-92.6	-59.1	0	0	0	117.6
810	D	36.6	Very low	33.9	Very low	130 Å²	130	134 Å²	134	70%	0.695	75%	0.747	S	S	*	*			trans	-101.9	158.6	163.8	-177.6	-103.2	0	0	0	109.4	G812	D810-G812 PolarHBondContact OD1-N 2.75Å
811	P	44.4	Very low	33.8	Very low	134 Å²	134	134.8 Å²	134.8	87%	0.87	75%	0.753	S	S	*	*				-147.8	122.8	121.2	32	-14.2	0	0	0	115.3
812	G	29.6	Very low	33.8	Very low	54 Å²	54	130.9 Å²	130.9	56%	0.557	74%	0.74	S	S	*	*			trans	-136.3	11.9	-172.5	0	0	0	0	0	121.2	D810	D810-G812 PolarHBondContact OD1-N 2.75Å
813	Q	31.4	Very low	33.6	Very low	190 Å²	190	135 Å²	135	89%	0.888	75%	0.746	S	S	*	*			trans	72.7	134.2	178.8	-52.5	178.7	-2.2	0	0	116.1
814	E	29	Very low	32.9	Very low	145 Å²	145	138.6 Å²	138.6	68%	0.678	75%	0.745	S	S	*	*			cis	117.9	129.7	11.8	175.3	156.5	-167	0	0	111.5
815	R	32.8	Very low	33.2	Very low	186 Å²	186	135.7 Å²	135.7	70%	0.702	73%	0.73	S	S	*	*			cis	-159.5	176.2	-10.9	-112.1	179.2	-94.6	-97.3	2.4	106.6
816	Q	31.8	Very low	33.4	Very low	152 Å²	152	136.2 Å²	136.2	71%	0.71	73%	0.729	S	S	*	*			cis	-148.8	173.1	4.2	-108	179	20.6	0	0	106.2
817	I	28.5	Very low	33.7	Very low	140 Å²	140	135.1 Å²	135.1	72%	0.718	72%	0.723	S	S	*	*			cis	71.9	136.9	44.1	-59	155.2	0	0	0	111.8
818	P	44.7	Very low	33.9	Very low	117 Å²	117	136 Å²	136	76%	0.76	72%	0.72	S	S	*	*			cis	-133.5	-179.8	24.7	30.1	-5.6	0	0	0	119
819	P	49.7	Very low	34.2	Very low	116 Å²	116	140.6 Å²	140.6	75%	0.753	73%	0.729	S	S	*	*			trans	-108.9	-151.6	173.1	44.3	-35.3	0	0	0	112.2
820	P	51	Low	34.4	Very low	119 Å²	119	140.6 Å²	140.6	77%	0.773	73%	0.727	S	S	*	*			cis	-127.1	169.5	-37.4	37.8	-22.8	0	0	0	114.7
821	A	26.8	Very low	34.3	Very low	102 Å²	102	143.4 Å²	143.4	84%	0.843	73%	0.733	S	S	*	*			trans	-178.8	129.2	153.5	0	0	0	0	0	120.5
822	S	27.9	Very low	33.9	Very low	93 Å²	93	144.5 Å²	144.5	65%	0.65	73%	0.731	S	S	*	*				30.5	124.4	127.7	166.7	0	0	0	0	127
823	R	29.1	Very low	34	Very low	237 Å²	237	147.1 Å²	147.1	89%	0.894	74%	0.741	S	S	*	*			trans	64.5	157.7	139.7	-56.2	171	178.7	179.9	-1.2	118.1
824	R	32.1	Very low	34.3	Very low	187 Å²	187	150.7 Å²	150.7	71%	0.706	76%	0.758	S	S	*	*			cis	-170.1	156.4	27.2	-153.7	-170.2	173.7	154.4	-0.8	114.4
825	N	32.4	Very low	34.6	Very low	75 Å²	75	151 Å²	151	40%	0.401	76%	0.762	S	S	.	*			trans	71.1	174.1	145.2	-83.8	0.2	0	0	0	125.9	H224 T225	H224-N825 PolarHBondContact O-ND2 3.32Å; T225-N825 PolarHBondContact N-ND2 2.91Å; T225-N825 PolarHBondContact O-ND2 2.86Å
826	K	33.1	Very low	34.7	Very low	172 Å²	172	149.2 Å²	149.2	75%	0.748	77%	0.765	S	S	*	*			trans	-159.2	165.7	-148.8	-167.1	174.5	-175.3	172.2	0	112.4
827	T	32.9	Very low	34.8	Very low	97 Å²	97	149 Å²	149	60%	0.595	77%	0.768	S	S	*	*			trans	66.2	156.6	174.4	46.7	0	0	0	0	117.7
828	K	31.7	Very low	35.2	Very low	159 Å²	159	149.5 Å²	149.5	69%	0.691	77%	0.771	S	S	*	*			cis	-150.9	145.7	6.6	-112.3	148.1	-178.3	179.8	0	107.1
829	K	34	Very low	34.6	Very low	185 Å²	185	151.6 Å²	151.6	80%	0.804	77%	0.772	S	S	*	*				62.6	116.3	81.8	-153.4	-171.6	-171.7	-174.4	0	115.8
830	I	31.9	Very low	33.6	Very low	162 Å²	162	153.9 Å²	153.9	83%	0.831	77%	0.773	S	S	*	*				177	167.9	121.9	-88.6	161.3	0	0	0	112.6
831	F	36.4	Very low	32.4	Very low	189 Å²	189	156.4 Å²	156.4	83%	0.829	77%	0.773	S	S	*	*			trans	-70.6	174.7	-170.4	-98.1	-117.6	0	0	0	119
832	L	35	Very low	32.8	Very low	158 Å²	158	160.6 Å²	160.6	83%	0.827	77%	0.767	S	S	*	*			trans	73.7	153.7	161.1	-68.6	147.6	0	0	0	116.2
833	S	32.4	Very low	33.2	Very low	109 Å²	109	166.3 Å²	166.3	76%	0.762	78%	0.777	S	S	*	*			cis	-114.5	174.5	-0.9	-62.4	0	0	0	0	110
834	E	37.7	Very low	33.6	Very low	265 Å²	265	159.8 Å²	159.8	100%	1.238	77%	0.767	S	S	*	*			cis	-153.4	0	37.3	-162.9	173.1	132.1	0	0	111.3

Retrieved 834 of 834 residues in 285.6 ms (Link to these results)

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