A0A087Y3L7_POEFO Loading...

POP1 homolog, ribonuclease P/MRP subunit

AlphaFold DB , UniProt , Accession A0A087Y3L7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 959 aa.

						>A0A087Y3L7_POEFO|A0A087Y3L7
MSAAKAKMREKKMRNQPASVQYPSPSHVESRAENGGEGDDVRVTGGQSDAHPSWKRQQTPPVRHGWVRGHHNGDGGYDTEMPNHITAGAFARARAAEVSAMLKAATELTCSSHVFRALPKHMRRRAMSHNTKRLPRRLRNVANRMREKSLQAGLKKKKELVKSKSRKARRRHGNLLLEFNRRQRKNIWLETHIWHAKRFHMVKKWGYCLGVRPTYKCYRPCYRAMSSHCLLQDLSYYCCIELKGEEDKLLAALTQLTCKEAGPTFAAAMFLSGARQGSVTVYRAGQYPSDPLGPVTFLWRPQTPGLTPRQLWIWAHPALKQDLLPELQSVCQCSEAMAPPVEPEVSRAEADPSPQAEPNPDNELKAGAKRKRCCKDAGEPPAKRILGDGTRLPTSPVTWRSSSTGIVINDLTMEIVRYRLIGPQSHSVLAETLEAATVCDELKSSPFWWPEHCKDRSNMKLHQQQTDVFNVLKGIYSSGELPPGTVLGLTVDDPRLTLPRQKVKAAPCVNRDQVGDEEKRNQLMLKGVPLQCCQSFLWEQSVRENVTDNKISEQELNRMRTELLVPGSRLGPGPQQGRVPVLLVHQPGKQVGDELGSWGSGWDLLLPKGWGMAFWVPLVYRGVRVAGLHMSLKHSQDKAAPHFPHDYPDCPAGSRFQEEQEAEFLETFRRRPPAKRTNYIKHGCLAPFRCPWQQLAEEWELLATDGGAERKGDGQTQKARKSHEVMEEVTSQQTVAAASPPSFTVLRNRKSLRLLSSWCRPLTCRGQRRGRGAAVALPLSDSAVTSFHSAHKMSVVWVRLTLLSKGKPEAHAMVCAPTAEDLKLFGKSPENCGPQEPPHKDHYKSRINHKKKSSKTATPSQVSDDPTASTDPHSPSDLILGLWPDPLPSVTSHCSRVTLGWVTQGDFSLSVGRGEALGFVSVSGLLHTLLRQPPELRGTLLLRNPTSLHYRFVRLNIDV
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.8	Very low	59.1	Low	225 Å²	225	134 Å²	134	100%	1.108	69%	0.691	S	S	*	*				0	-12.2	0	-73.9	-73.6	-96.7	0	0	115
2	S	58.8	Low	59.2	Low	101 Å²	101	136.5 Å²	136.5	71%	0.706	69%	0.693	S	S	*	*			trans	-83.6	-40.2	-176.8	178.5	0	0	0	0	114.7	A4 K5 A6	S2-A4 VanDerWaalsContact C-N 3.35Å; S2-A4 PolarHBondContact O-N 3.4Å; S2-K5 PolarHBondContact O-N 3.45Å; S2-A6 PolarHBondContact O-N 3.39Å
3	A	52.2	Low	59.2	Low	76 Å²	76	134.1 Å²	134.1	63%	0.628	68%	0.679	S	S	*	*	H	α-helix	trans	-66.7	-29	-174.6	0	0	0	0	0	114.9	A6 K7	A3-A6 PolarHBondContact O-N 3.32Å; A3-K7 PolarHBondContact O-N 3.37Å; A3-K7 VanDerWaalsContact O-N 3.08Å
4	A	58.9	Low	59.2	Low	68 Å²	68	140.4 Å²	140.4	56%	0.562	69%	0.691	S	S	*	*	H	α-helix	trans	-70.8	-33	177.4	0	0	0	0	0	112.4	S2 M8	S2-A4 VanDerWaalsContact C-N 3.35Å; S2-A4 PolarHBondContact O-N 3.4Å; A4-M8 VanDerWaalsContact O-CB 3.28Å; A4-M8 WeakPolarHBondContact O-CB 3.19Å; A4-M8 PolarHBondContact O-N 2.75Å; A4-M8 VanDerWaalsContact O-N 3.15Å
5	K	57.7	Low	59.1	Low	165 Å²	165	140.4 Å²	140.4	72%	0.717	70%	0.695	S	S	*	*	H	α-helix	trans	-72.4	-37.4	174.8	-83.3	-177	173.9	179.5	0	111.6	S2 M8 R9	S2-K5 PolarHBondContact O-N 3.45Å; K5-M8 PolarHBondContact O-N 3.24Å; K5-R9 WeakPolarHBondContact O-CB 3.19Å; K5-R9 PolarHBondContact O-N 3.03Å
6	A	58.4	Low	59.1	Low	56 Å²	56	137.4 Å²	137.4	46%	0.463	68%	0.678	S	S	.	*	H	α-helix	trans	-63.7	-51.5	175.7	0	0	0	0	0	111.6	S2 A3 M8 R9 E10	S2-A6 PolarHBondContact O-N 3.39Å; A3-A6 PolarHBondContact O-N 3.32Å; A6-M8 VanDerWaalsContact C-N 3.28Å; A6-M8 PolarHBondContact O-N 2.73Å; A6-R9 WeakPolarHBondContact O-CB 3.26Å; A6-R9 PolarHBondContact O-N 3.1Å; A6-R9 VanDerWaalsContact O-N 3.12Å; A6-E10 WeakPolarHBondContact O-CB 3.33Å; A6-E10 PolarHBondContact O-N 3.44Å
7	K	64.2	Low	58.8	Low	160 Å²	160	134.5 Å²	134.5	70%	0.696	67%	0.672	S	S	*	*	H	α-helix	trans	-59.2	-36.3	175.8	-87.7	-177.3	172.7	177.8	0	113.1	A3 K11	A3-K7 PolarHBondContact O-N 3.37Å; A3-K7 VanDerWaalsContact O-N 3.08Å; K7-K11 VanDerWaalsContact O-CB 3.31Å; K7-K11 WeakPolarHBondContact O-CB 3.25Å; K7-K11 PolarHBondContact O-N 2.62Å
8	M	61.2	Low	58.4	Low	127 Å²	127	133.2 Å²	133.2	63%	0.626	69%	0.686	S	S	*	*	H	α-helix	trans	-74.5	-31	179	-154.1	-173.3	-56.2	0	0	112.5	A4 K5 A6 K12	A4-M8 VanDerWaalsContact O-CB 3.28Å; A4-M8 WeakPolarHBondContact O-CB 3.19Å; A4-M8 PolarHBondContact O-N 2.75Å; A4-M8 VanDerWaalsContact O-N 3.15Å; K5-M8 PolarHBondContact O-N 3.24Å; A6-M8 VanDerWaalsContact C-N 3.28Å; A6-M8 PolarHBondContact O-N 2.73Å; M8-K12 WeakPolarHBondContact O-CB 3.33Å; M8-K12 PolarHBondContact O-N 3.29Å; M8-K12 VanDerWaalsContact O-N 3.17Å
9	R	62.5	Low	58	Low	186 Å²	186	130.4 Å²	130.4	70%	0.702	68%	0.679	S	S	*	*	H	α-helix	trans	-68.9	-45.8	171.6	-173.1	179.8	-179.3	-134.1	1.8	110.6	K5 A6 K11 K12 M13	K5-R9 WeakPolarHBondContact O-CB 3.19Å; K5-R9 PolarHBondContact O-N 3.03Å; A6-R9 WeakPolarHBondContact O-CB 3.26Å; A6-R9 PolarHBondContact O-N 3.1Å; A6-R9 VanDerWaalsContact O-N 3.12Å; R9-K11 PolarHBondContact O-N 3.2Å; R9-K12 WeakPolarHBondContact O-CB 3.25Å; R9-K12 PolarHBondContact O-N 3.38Å; R9-K12 VanDerWaalsContact O-N 3.09Å; R9-M13 VanDerWaalsContact O-CG 3.29Å; R9-M13 WeakPolarHBondContact O-CG 3.5Å; R9-M13 PolarHBondContact O-N 2.91Å
10	E	60.7	Low	57.2	Low	141 Å²	141	126.2 Å²	126.2	66%	0.659	66%	0.659	S	S	*	*	H	α-helix	trans	-62.8	-42.1	178.7	-151.3	170.9	-149.1	0	0	111.9	A6 K12 M13 R14	A6-E10 WeakPolarHBondContact O-CB 3.33Å; A6-E10 PolarHBondContact O-N 3.44Å; E10-K12 VanDerWaalsContact C-N 3.28Å; E10-K12 PolarHBondContact O-N 3.28Å; E10-M13 PolarHBondContact O-N 2.73Å; E10-R14 PolarHBondContact O-N 3.47Å
11	K	66.4	Low	56.4	Low	169 Å²	169	129.1 Å²	129.1	74%	0.735	67%	0.67	S	S	*	*	H	α-helix	trans	-67	-26.5	173.9	-143.4	175.4	-170.1	-179.3	0	113.3	K7 R9	K7-K11 VanDerWaalsContact O-CB 3.31Å; K7-K11 WeakPolarHBondContact O-CB 3.25Å; K7-K11 PolarHBondContact O-N 2.62Å; R9-K11 PolarHBondContact O-N 3.2Å
12	K	60.1	Low	56.1	Low	164 Å²	164	126.1 Å²	126.1	71%	0.713	65%	0.647	S	S	*	*	H	α-helix	trans	-79	-31.7	173.4	-103.6	-177.4	172.2	-177.6	0	113	M8 R9 E10	M8-K12 WeakPolarHBondContact O-CB 3.33Å; M8-K12 PolarHBondContact O-N 3.29Å; M8-K12 VanDerWaalsContact O-N 3.17Å; R9-K12 WeakPolarHBondContact O-CB 3.25Å; R9-K12 PolarHBondContact O-N 3.38Å; R9-K12 VanDerWaalsContact O-N 3.09Å; E10-K12 VanDerWaalsContact C-N 3.28Å; E10-K12 PolarHBondContact O-N 3.28Å
13	M	60.1	Low	54.9	Low	105 Å²	105	127.2 Å²	127.2	52%	0.517	65%	0.652	S	S	.	*	H	α-helix	trans	-77.4	-24.9	179.1	-66.6	-62	-70.3	0	0	112.4	R9 E10 N15 Q16	R9-M13 VanDerWaalsContact O-CG 3.29Å; R9-M13 WeakPolarHBondContact O-CG 3.5Å; R9-M13 PolarHBondContact O-N 2.91Å; E10-M13 PolarHBondContact O-N 2.73Å; M13-N15 PolarHBondContact O-N 3.49Å; M13-Q16 PolarHBondContact O-N 3.09Å
14	R	58.6	Low	54	Low	222 Å²	222	128.9 Å²	128.9	84%	0.838	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-17.8	-178.6	-162.8	170.7	-177.3	-178.8	0.2	115.1	E10	E10-R14 PolarHBondContact O-N 3.47Å
15	N	58.1	Low	53	Low	141 Å²	141	131.3 Å²	131.3	75%	0.754	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.4	20.3	-176	-67.4	-5.3	0	0	0	113.4	M13	M13-N15 PolarHBondContact O-N 3.49Å
16	Q	59.7	Low	51.7	Low	92 Å²	92	128.7 Å²	128.7	43%	0.43	67%	0.671	S	S	.	*			trans	-80.8	134.5	173.7	-74.4	-166.5	-2.9	0	0	110.9	M13	M13-Q16 PolarHBondContact O-N 3.09Å
17	P	52.7	Low	50.3	Low	89 Å²	89	134.4 Å²	134.4	58%	0.578	69%	0.688	S	S	*	*			trans	-65.6	141.2	169.4	27.1	-31.5	0	0	0	109.8	S19	P17-S19 PolarHBondContact O-N 3.43Å
18	A	52.4	Low	48.7	Very low	111 Å²	111	132.9 Å²	132.9	92%	0.917	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-0.1	-175.5	0	0	0	0	0	115.2
19	S	50.4	Low	47.3	Very low	79 Å²	79	135.5 Å²	135.5	55%	0.552	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	9.6	-175	57.5	0	0	0	0	115.3	P17	P17-S19 PolarHBondContact O-N 3.43Å
20	V	43	Very low	45.8	Very low	46 Å²	46	132.3 Å²	132.3	28%	0.279	71%	0.709	S	S	.	*			trans	-107.9	94.9	178.8	-174.5	0	0	0	0	110.1	Y22	V20-Y22 HydrophobicContact CG1-CD2 4.16Å; V20-Y22 HydrophobicContact CG1-CE2 3.64Å
21	Q	39.9	Very low	44.3	Very low	189 Å²	189	137.5 Å²	137.5	88%	0.883	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-87.9	125.7	168.5	-74.1	-176.2	-9.8	0	0	110.2
22	Y	42.3	Very low	42.6	Very low	162 Å²	162	134.1 Å²	134.1	64%	0.635	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-94.6	137.4	165.5	-71.3	-90.8	0	0	0	108.3	V20 S24	V20-Y22 HydrophobicContact CG1-CD2 4.16Å; V20-Y22 HydrophobicContact CG1-CE2 3.64Å; Y22-S24 PolarHBondContact O-N 2.88Å
23	P	33.4	Very low	41.2	Very low	123 Å²	123	135.5 Å²	135.5	80%	0.799	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-64.6	128.6	167	26.6	-30.2	0	0	0	108.7
24	S	33.3	Very low	39.7	Very low	112 Å²	112	138.4 Å²	138.4	78%	0.783	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-63.2	138.1	179	25	0	0	0	0	111.1	Y22	Y22-S24 PolarHBondContact O-N 2.88Å
25	P	38.1	Very low	38.4	Very low	118 Å²	118	131.6 Å²	131.6	77%	0.766	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-79.1	128.3	174.5	30.7	-28.9	0	0	0	109.6	H27	P25-H27 PolarHBondContact O-N 2.91Å
26	S	29.5	Very low	36.9	Very low	110 Å²	110	128.3 Å²	128.3	77%	0.769	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-61.7	129.8	167.2	42.1	0	0	0	0	110	V28	S26-V28 PolarHBondContact O-N 3.44Å
27	H	30.4	Very low	35.5	Very low	177 Å²	177	133.6 Å²	133.6	82%	0.819	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-60.1	121	173	-98.9	-101.8	0	0	0	110.4	P25	P25-H27 PolarHBondContact O-N 2.91Å
28	V	30.8	Very low	34.4	Very low	128 Å²	128	132.8 Å²	132.8	78%	0.776	78%	0.783	S	S	*	*			trans	-131.7	107.3	154.2	-178.4	0	0	0	0	107	S26 S30	S26-V28 PolarHBondContact O-N 3.44Å; V28-S30 PolarHBondContact O-N 3.4Å
29	E	31	Very low	33.3	Very low	182 Å²	182	135 Å²	135	85%	0.85	78%	0.779	S	S	*	*			trans	-64.8	124.6	170.8	-69.4	179	153.2	0	0	109.1
30	S	30.5	Very low	32.3	Very low	118 Å²	118	138 Å²	138	83%	0.825	79%	0.79	S	S	*	*			trans	-115.4	105.3	166.6	40.4	0	0	0	0	108.7	V28	V28-S30 PolarHBondContact O-N 3.4Å
31	R	28.7	Very low	31.7	Very low	251 Å²	251	141.3 Å²	141.3	95%	0.947	81%	0.809	S	S	*	*			trans	-75.8	130.8	166.1	-142.4	173.2	-178.3	172.2	-1.6	107.1
32	A	31.7	Very low	31.1	Very low	97 Å²	97	143 Å²	143	80%	0.802	81%	0.808	S	S	*	*			trans	-78.4	130.7	176.4	0	0	0	0	0	110
33	E	30.3	Very low	30.5	Very low	194 Å²	194	141 Å²	141	91%	0.907	81%	0.812	S	S	*	*			trans	-148.5	153.8	156.8	-106.9	173.5	-157.5	0	0	110.7
34	N	29.5	Very low	30.2	Very low	166 Å²	166	141.7 Å²	141.7	89%	0.888	81%	0.814	S	S	*	*			trans	-73	157.3	-162.9	-73.2	-46.6	0	0	0	115.5
35	G	30.1	Very low	29.9	Very low	78 Å²	78	139.9 Å²	139.9	80%	0.804	81%	0.814	S	S	*	*				102.2	131.5	127.8	0	0	0	0	0	118.8
36	G	27.7	Very low	29.4	Very low	72 Å²	72	137.9 Å²	137.9	74%	0.742	81%	0.814	S	S	*	*			trans	91.2	112.3	131.6	0	0	0	0	0	119.9
37	E	29.7	Very low	29.3	Very low	203 Å²	203	141.7 Å²	141.7	95%	0.949	82%	0.82	S	S	*	*			trans	52.2	140.2	133.7	-69.6	179.7	143	0	0	123.4
38	G	29.2	Very low	29.2	Very low	73 Å²	73	138.2 Å²	138.2	75%	0.753	82%	0.815	S	S	*	*			trans	115	104.5	132.3	0	0	0	0	0	119
39	D	30	Very low	29	Very low	157 Å²	157	139.9 Å²	139.9	84%	0.84	82%	0.82	S	S	*	*			trans	55.9	117.3	130.9	-83.3	-1	0	0	0	123.9
40	D	28.8	Very low	28.9	Very low	143 Å²	143	135.9 Å²	135.9	77%	0.765	82%	0.818	S	S	*	*				83	150.9	110.2	-130.7	4.3	0	0	0	122.5
41	V	29.9	Very low	28.7	Very low	115 Å²	115	139.3 Å²	139.3	70%	0.697	82%	0.821	S	S	*	*			trans	79.9	102.9	164.2	-171.4	0	0	0	0	117.3
42	R	28.1	Very low	29.4	Very low	224 Å²	224	132.9 Å²	132.9	85%	0.845	81%	0.812	S	S	*	*				84.3	128.4	74.9	-93.2	-171.1	-176.1	-176.6	3.4	116.4
43	V	29.6	Very low	29.1	Very low	119 Å²	119	134 Å²	134	72%	0.721	81%	0.813	S	S	*	*			trans	76.6	132.4	137.7	179.9	0	0	0	0	114.4
44	T	27.9	Very low	29.1	Very low	138 Å²	138	136.5 Å²	136.5	85%	0.847	82%	0.815	S	S	*	*			cis	-171.5	161.1	42.6	2	0	0	0	0	105
45	G	26.8	Very low	29.1	Very low	75 Å²	75	138.1 Å²	138.1	77%	0.773	81%	0.814	S	S	*	*			cis	140.2	145.3	25.1	0	0	0	0	0	108.6
46	G	26.9	Very low	29.3	Very low	75 Å²	75	146 Å²	146	77%	0.773	82%	0.819	S	S	*	*			trans	100.6	98.7	166.1	0	0	0	0	0	115
47	Q	27.7	Very low	29.6	Very low	190 Å²	190	151 Å²	151	89%	0.888	82%	0.823	S	S	*	*				63.8	115.6	55.3	-72.7	-168.7	-3.8	0	0	116.6
48	S	27.8	Very low	29.6	Very low	105 Å²	105	150.1 Å²	150.1	73%	0.734	82%	0.819	S	S	*	*			trans	157.9	108.2	130.5	46.6	0	0	0	0	107.8
49	D	27.6	Very low	29.8	Very low	162 Å²	162	152.8 Å²	152.8	87%	0.866	82%	0.821	S	S	*	*				95	133.9	80.8	-80.2	-31.5	0	0	0	112.7
50	A	28.1	Very low	29.9	Very low	99 Å²	99	150.4 Å²	150.4	82%	0.818	81%	0.814	S	S	*	*			trans	114.9	98	159.1	0	0	0	0	0	116.8
51	H	27.7	Very low	30.2	Very low	190 Å²	190	149.5 Å²	149.5	88%	0.88	82%	0.816	S	S	*	*			trans	-103.9	169.4	143.3	-78.3	-56.7	0	0	0	107.6
52	P	41.9	Very low	30.5	Very low	116 Å²	116	149.6 Å²	149.6	75%	0.753	82%	0.817	S	S	*	*			cis	-134.7	152.8	-14.3	29.5	-9.5	0	0	0	112.9
53	S	26.2	Very low	30.7	Very low	120 Å²	120	149.6 Å²	149.6	84%	0.839	82%	0.817	S	S	*	*			trans	-162.9	137.8	156.3	-179.1	0	0	0	0	111.9
54	W	29.8	Very low	31.1	Very low	246 Å²	246	152.6 Å²	152.6	93%	0.932	82%	0.823	S	S	*	*			trans	-72.7	122.1	-166.6	-67.7	11.9	0	0	0	112.7
55	K	28.8	Very low	31.3	Very low	200 Å²	200	149 Å²	149	87%	0.87	81%	0.812	S	S	*	*			trans	-127.9	112.7	147.5	-89.1	-175.8	178.8	177.7	0	109.3	Q57	K55-Q57 PolarHBondContact O-N 2.93Å
56	R	36	Very low	31.8	Very low	243 Å²	243	158.4 Å²	158.4	92%	0.917	83%	0.825	S	S	*	*			trans	-56.3	91.2	169.4	-170.1	-177	-141.2	-172.1	4.4	109.1
57	Q	32.3	Very low	32.2	Very low	178 Å²	178	160.8 Å²	160.8	83%	0.832	82%	0.824	S	S	*	*			trans	-85.1	115.7	164	-78.5	-174.9	-12.4	0	0	108.1	K55 T59	K55-Q57 PolarHBondContact O-N 2.93Å; Q57-T59 PolarHBondContact O-N 3.26Å
58	Q	30.8	Very low	33	Very low	185 Å²	185	164.2 Å²	164.2	86%	0.864	83%	0.829	S	S	*	*			trans	-61.1	114	170	-66.6	176.9	0.4	0	0	108.3
59	T	32.3	Very low	33.5	Very low	128 Å²	128	161.4 Å²	161.4	79%	0.785	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-81.6	132.7	163.5	40.2	0	0	0	0	108.7	Q57	Q57-T59 PolarHBondContact O-N 3.26Å
60	P	33.5	Very low	34.3	Very low	108 Å²	108	162.1 Å²	162.1	70%	0.701	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-71	150.4	172.5	29.3	-31.1	0	0	0	109.9	V62	P60-V62 PolarHBondContact O-N 3.01Å
61	P	35.2	Very low	34.8	Very low	124 Å²	124	165.4 Å²	165.4	81%	0.805	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-76.6	116.5	-173.7	30.6	-31.5	0	0	0	110.5	R63	P61-R63 PolarHBondContact O-N 2.8Å; P61-R63 VanDerWaalsContact O-N 3.12Å
62	V	35.8	Very low	35.7	Very low	117 Å²	117	163.3 Å²	163.3	71%	0.709	81%	0.808	S	S	*	*			trans	-75.8	97.7	168.2	-180	0	0	0	0	108.6	P60 H64	P60-V62 PolarHBondContact O-N 3.01Å; V62-H64 PolarHBondContact O-N 3.47Å
63	R	32.2	Very low	35.6	Very low	224 Å²	224	160.6 Å²	160.6	85%	0.845	80%	0.8	S	S	*	*			trans	-71.9	104.5	167.1	-90.6	-175.8	171	-171.3	-0.7	109.5	P61	P61-R63 PolarHBondContact O-N 2.8Å; P61-R63 VanDerWaalsContact O-N 3.12Å
64	H	37.1	Very low	36.7	Very low	182 Å²	182	163.6 Å²	163.6	84%	0.843	81%	0.807	S	S	*	*			trans	-103.8	105.7	157.1	-75.4	-54.4	0	0	0	109	V62	V62-H64 PolarHBondContact O-N 3.47Å
65	G	33.1	Very low	37.3	Very low	61 Å²	61	154.3 Å²	154.3	63%	0.629	79%	0.787	S	S	*	*			trans	-172.8	87.9	176.5	0	0	0	0	0	112.8	V67	G65-V67 PolarHBondContact O-N 2.82Å; G65-V67 VanDerWaalsContact O-N 3.16Å
66	W	36.5	Very low	38	Very low	274 Å²	274	148.7 Å²	148.7	100%	1.038	79%	0.786	S	S	*	*			trans	-80.7	78.1	156.1	-73.6	81.8	0	0	0	107.8
67	V	35.3	Very low	38.5	Very low	125 Å²	125	145.7 Å²	145.7	76%	0.758	78%	0.776	S	S	*	*			trans	-107.2	112.8	167	175.1	0	0	0	0	106.7	G65 G69	G65-V67 PolarHBondContact O-N 2.82Å; G65-V67 VanDerWaalsContact O-N 3.16Å; V67-G69 PolarHBondContact O-N 3.38Å; V67-G69 VanDerWaalsContact O-N 3.08Å
68	R	46.3	Very low	39.3	Very low	262 Å²	262	145 Å²	145	99%	0.989	78%	0.778	S	S	*	*			trans	-76.3	92.3	170.6	-161.3	-174.1	-88.7	-135.3	0	107.2
69	G	36.3	Very low	40.5	Very low	46 Å²	46	143.1 Å²	143.1	47%	0.474	78%	0.779	S	S	.	*			trans	-153.3	125.3	173.5	0	0	0	0	0	108.5	V67 H71	V67-G69 PolarHBondContact O-N 3.38Å; V67-G69 VanDerWaalsContact O-N 3.08Å; G69-H71 PolarHBondContact O-N 2.96Å
70	H	45.6	Very low	41.6	Very low	176 Å²	176	145.1 Å²	145.1	82%	0.815	78%	0.78	S	S	*	*			trans	-55.9	105.6	-177.5	-142.2	-77.3	0	0	0	109.9	N72	H70-N72 PolarHBondContact CE1-OD1 3.24Å; H70-N72 VanDerWaalsContact CE1-OD1 3.25Å; H70-N72 PolarHBondContact ND1-OD1 3.07Å
71	H	38.9	Very low	42.8	Very low	168 Å²	168	147.7 Å²	147.7	78%	0.778	79%	0.785	S	S	*	*			trans	-108.7	110.4	163.5	-88.1	-81.2	0	0	0	107.1	G69 G73	G69-H71 PolarHBondContact O-N 2.96Å; H71-G73 PolarHBondContact O-N 3.2Å; H71-G73 VanDerWaalsContact O-N 3.13Å
72	N	45.6	Very low	44.1	Very low	147 Å²	147	146.5 Å²	146.5	79%	0.786	78%	0.777	S	S	*	*			trans	-68.2	104.4	167.5	-69.2	-5.8	0	0	0	107.1	H70	H70-N72 PolarHBondContact CE1-OD1 3.24Å; H70-N72 VanDerWaalsContact CE1-OD1 3.25Å; H70-N72 PolarHBondContact ND1-OD1 3.07Å
73	G	40.5	Very low	45.7	Very low	58 Å²	58	148.1 Å²	148.1	60%	0.598	78%	0.782	S	S	*	*			trans	-169.2	101.2	-179.1	0	0	0	0	0	108.7	H71 G75	H71-G73 PolarHBondContact O-N 3.2Å; H71-G73 VanDerWaalsContact O-N 3.13Å; G73-G75 PolarHBondContact O-N 3.32Å
74	D	48.3	Very low	47.5	Very low	184 Å²	184	144.1 Å²	144.1	98%	0.984	77%	0.772	S	S	*	*			trans	-67.1	88.1	-173.4	-156.3	15.7	0	0	0	111.2
75	G	43.7	Very low	49.5	Very low	50 Å²	50	140.4 Å²	140.4	52%	0.515	76%	0.757	S	S	.	*			trans	-148.5	107.4	176.7	0	0	0	0	0	109.4	G73 Y77	G73-G75 PolarHBondContact O-N 3.32Å; G75-Y77 PolarHBondContact O-N 3.32Å
76	G	42.7	Very low	51.8	Low	82 Å²	82	142.5 Å²	142.5	85%	0.845	76%	0.758	S	S	*	*			trans	-46.5	123.4	-173.5	0	0	0	0	0	113.2
77	Y	47.6	Very low	54.1	Low	181 Å²	181	130.9 Å²	130.9	71%	0.71	72%	0.72	S	S	*	*			trans	-77.2	130.4	162.2	-59.5	-90.1	0	0	0	106.7	G75 T79	G75-Y77 PolarHBondContact O-N 3.32Å; Y77-T79 PolarHBondContact O-N 3Å
78	D	48.4	Very low	56.7	Low	163 Å²	163	127 Å²	127	87%	0.872	71%	0.705	S	S	*	*			trans	-52.8	113.2	167	-71.8	-38.7	0	0	0	108.2	E80	D78-E80 PolarHBondContact O-N 2.93Å
79	T	55	Low	58.5	Low	145 Å²	145	116.8 Å²	116.8	89%	0.89	68%	0.677	S	S	*	*			trans	-76	-2.4	-176.6	14.2	0	0	0	0	112.9	Y77 M81	Y77-T79 PolarHBondContact O-N 3Å; T79-M81 PolarHBondContact O-N 2.86Å
80	E	55.7	Low	61.1	Low	171 Å²	171	119.5 Å²	119.5	80%	0.799	68%	0.676	S	S	*	*			trans	-90.2	108.4	178.3	-68.4	-167	167.7	0	0	111.2	D78	D78-E80 PolarHBondContact O-N 2.93Å
81	M	59.8	Low	63.3	Low	162 Å²	162	113.8 Å²	113.8	80%	0.798	66%	0.66	S	S	*	*			trans	-60.9	128.5	169.4	-157.4	177.2	69.1	0	0	108.4	T79 N83	T79-M81 PolarHBondContact O-N 2.86Å; M81-N83 PolarHBondContact O-N 3.45Å; M81-N83 VanDerWaalsContact O-N 3.1Å
82	P	62.4	Low	65.8	Low	99 Å²	99	114.7 Å²	114.7	64%	0.643	66%	0.656	S	S	*	*			trans	-57.1	121.2	-176.8	-24.2	31.6	0	0	0	111.3	H84	P82-H84 PolarHBondContact O-N 3.4Å; P82-H84 VanDerWaalsContact O-N 3.11Å
83	N	68.6	Low	68.1	Low	151 Å²	151	110.1 Å²	110.1	81%	0.807	64%	0.638	S	S	*	*	S	Bend	trans	-65.5	-12.4	-179.1	-70.3	-26.2	0	0	0	113.5	M81	M81-N83 PolarHBondContact O-N 3.45Å; M81-N83 VanDerWaalsContact O-N 3.1Å
84	H	70.5	Confident	70.6	Confident	139 Å²	139	113 Å²	113	64%	0.644	63%	0.631	S	S	*	*	S	Bend	trans	-136.3	136.6	178.4	58.3	-83.8	0	0	0	110.8	P82	P82-H84 PolarHBondContact O-N 3.4Å; P82-H84 VanDerWaalsContact O-N 3.11Å
85	I	78.4	Confident	72.9	Confident	104 Å²	104	106.8 Å²	106.8	53%	0.533	61%	0.605	S	S	.	*			trans	-99.1	133	173.1	58.7	169.4	0	0	0	109.7	A87	I85-A87 VanDerWaalsContact C-N 3.34Å; I85-A87 PolarHBondContact O-N 3.34Å
86	T	82.3	Confident	75.3	Confident	106 Å²	106	107.5 Å²	107.5	65%	0.65	61%	0.606	S	S	*	*			trans	-70.6	93.8	169.3	-46.3	0	0	0	0	109	G88 A89 F90	T86-G88 PolarHBondContact O-N 3.09Å; T86-G88 VanDerWaalsContact O-N 3.08Å; T86-A89 HydrophobicContact CG2-CB 4.39Å; T86-A89 PolarHBondContact O-N 3.18Å; T86-F90 PolarHBondContact O-N 2.87Å; T86-F90 VanDerWaalsContact O-N 3.14Å
87	A	83.7	Confident	77.9	Confident	29 Å²	29	107.6 Å²	107.6	24%	0.24	59%	0.585	C	S	.	*	H	α-helix	trans	-51.6	-37.9	-172	0	0	0	0	0	113.3	I85 A91	I85-A87 VanDerWaalsContact C-N 3.34Å; I85-A87 PolarHBondContact O-N 3.34Å; A87-A91 WeakPolarHBondContact O-CB 3.38Å; A87-A91 PolarHBondContact O-N 3.28Å
88	G	90.1	Very high	80.2	Confident	43 Å²	43	102.9 Å²	102.9	44%	0.443	57%	0.574	S	S	.	*	H	α-helix	trans	-67.2	-39.4	179.1	0	0	0	0	0	114.5	T86 R92	T86-G88 PolarHBondContact O-N 3.09Å; T86-G88 VanDerWaalsContact O-N 3.08Å; G88-R92 WeakPolarHBondContact O-CB 3.38Å; G88-R92 VanDerWaalsContact O-CG 3.28Å; G88-R92 WeakPolarHBondContact O-CG 3.46Å; G88-R92 PolarHBondContact O-N 3.47Å; G88-R92 VanDerWaalsContact O-N 3.15Å; G88-R92 PolarHBondContact O-NE 3.46Å
89	A	85.2	Confident	82.4	Confident	48 Å²	48	98.7 Å²	98.7	40%	0.397	56%	0.558	S	S	.	*	H	α-helix	trans	-71.1	-43.1	176.7	0	0	0	0	0	110.9	T86 R92 A93	T86-A89 HydrophobicContact CG2-CB 4.39Å; T86-A89 PolarHBondContact O-N 3.18Å; A89-R92 PolarHBondContact O-N 3.49Å; A89-A93 PolarHBondContact O-N 3.02Å
90	F	89.6	Confident	84.3	Confident	104 Å²	104	94.6 Å²	94.6	46%	0.456	54%	0.539	S	S	.	.	H	α-helix	trans	-61.6	-47.2	176.4	-176.6	-96.8	0	0	0	112.1	T86 R92 A93 R94	T86-F90 PolarHBondContact O-N 2.87Å; T86-F90 VanDerWaalsContact O-N 3.14Å; F90-R92 PolarHBondContact O-N 2.61Å; F90-A93 PolarHBondContact O-N 3.26Å; F90-R94 HydrophobicContact CD1-CG 4.16Å; F90-R94 HydrophobicContact CE1-CG 3.82Å; F90-R94 HydrophobicContact CE2-CG 4.27Å; F90-R94 HydrophobicContact CZ-CG 3.88Å; F90-R94 WeakPolarHBondContact O-CB 3.38Å; F90-R94 WeakPolarHBondContact O-CG 3.19Å; F90-R94 PolarHBondContact O-N 3.4Å
91	A	92.4	Very high	86.1	Confident	56 Å²	56	92 Å²	92	46%	0.463	53%	0.528	S	S	.	.	H	α-helix	trans	-62.8	-40.6	178.4	0	0	0	0	0	112.1	A87 A95	A87-A91 WeakPolarHBondContact O-CB 3.38Å; A87-A91 PolarHBondContact O-N 3.28Å; A91-A95 WeakPolarHBondContact O-CB 3.42Å; A91-A95 PolarHBondContact O-N 3.14Å
92	R	92.2	Very high	87.6	Confident	187 Å²	187	89.9 Å²	89.9	71%	0.706	52%	0.519	S	S	*	.	H	α-helix	trans	-63.3	-45.6	176	-76.7	-175	-65.4	172	0.8	112.2	G88 A89 F90 A95 A96	G88-R92 WeakPolarHBondContact O-CB 3.38Å; G88-R92 VanDerWaalsContact O-CG 3.28Å; G88-R92 WeakPolarHBondContact O-CG 3.46Å; G88-R92 PolarHBondContact O-N 3.47Å; G88-R92 VanDerWaalsContact O-N 3.15Å; G88-R92 PolarHBondContact O-NE 3.46Å; A89-R92 PolarHBondContact O-N 3.49Å; F90-R92 PolarHBondContact O-N 2.61Å; R92-A95 PolarHBondContact O-N 3.25Å; R92-A96 PolarHBondContact O-N 3.25Å; R92-A96 VanDerWaalsContact O-N 3.08Å
93	A	92.8	Very high	88.9	Confident	50 Å²	50	91.6 Å²	91.6	41%	0.413	52%	0.517	S	S	.	.	H	α-helix	trans	-61.7	-48.5	176.8	0	0	0	0	0	111.6	A89 F90 A95 A96 E97	A89-A93 PolarHBondContact O-N 3.02Å; F90-A93 PolarHBondContact O-N 3.26Å; A93-A95 PolarHBondContact O-N 2.67Å; A93-A96 PolarHBondContact O-N 3.03Å; A93-E97 WeakPolarHBondContact O-CG 3.49Å; A93-E97 PolarHBondContact O-N 3.34Å
94	R	94.3	Very high	89.8	Confident	120 Å²	120	86.6 Å²	86.6	45%	0.453	50%	0.496	S	S	.	.	H	α-helix	trans	-65.7	-36.4	177.9	-66.4	-54.4	-171.5	-178.6	0.8	113	F90 A96 E97 V98	F90-R94 HydrophobicContact CD1-CG 4.16Å; F90-R94 HydrophobicContact CE1-CG 3.82Å; F90-R94 HydrophobicContact CE2-CG 4.27Å; F90-R94 HydrophobicContact CZ-CG 3.88Å; F90-R94 WeakPolarHBondContact O-CB 3.38Å; F90-R94 WeakPolarHBondContact O-CG 3.19Å; F90-R94 PolarHBondContact O-N 3.4Å; R94-A96 VanDerWaalsContact C-N 3.33Å; R94-A96 PolarHBondContact O-N 3.42Å; R94-E97 WeakPolarHBondContact CD-OE2 3.14Å; R94-E97 IonicContact CZ-OE2 3.6Å; R94-E97 IonicContact NE-OE2 2.67Å; R94-E97 IonicContact NH1-OE1 3.82Å; R94-E97 IonicContact NH1-OE2 3.83Å; R94-E97 PolarHBondContact NH1-OE2 3.4Å; R94-E97 PolarHBondContact O-N 3.1Å; R94-V98 WeakPolarHBondContact O-CB 3.37Å; R94-V98 WeakPolarHBondContact O-CG2 3.15Å; R94-V98 PolarHBondContact O-N 3.14Å
95	A	95.1	Very high	90.5	Very high	53 Å²	53	82.3 Å²	82.3	44%	0.438	49%	0.485	S	S	.	.	H	α-helix	trans	-62.9	-41.1	175	0	0	0	0	0	111.5	A91 R92 A93 S99	A91-A95 WeakPolarHBondContact O-CB 3.42Å; A91-A95 PolarHBondContact O-N 3.14Å; R92-A95 PolarHBondContact O-N 3.25Å; A93-A95 PolarHBondContact O-N 2.67Å; A95-S99 WeakPolarHBondContact O-CB 3.44Å; A95-S99 PolarHBondContact O-N 3.05Å; A95-S99 PolarHBondContact O-OG 3.43Å
96	A	95.3	Very high	90.6	Very high	64 Å²	64	81.2 Å²	81.2	53%	0.529	48%	0.483	S	S	.	.	H	α-helix	trans	-65	-46	175.3	0	0	0	0	0	111.8	R92 A93 R94 S99 A100	R92-A96 PolarHBondContact O-N 3.25Å; R92-A96 VanDerWaalsContact O-N 3.08Å; A93-A96 PolarHBondContact O-N 3.03Å; R94-A96 VanDerWaalsContact C-N 3.33Å; R94-A96 PolarHBondContact O-N 3.42Å; A96-S99 PolarHBondContact O-N 3.32Å; A96-A100 VanDerWaalsContact O-CB 3.3Å; A96-A100 WeakPolarHBondContact O-CB 3.22Å; A96-A100 PolarHBondContact O-N 3.31Å
97	E	96.2	Very high	90.3	Very high	84 Å²	84	82 Å²	82	39%	0.393	48%	0.48	S	S	.	.	H	α-helix	trans	-60.7	-49.7	176.5	-72.1	174.1	-178.7	0	0	112.3	A93 R94 S99 A100 M101	A93-E97 WeakPolarHBondContact O-CG 3.49Å; A93-E97 PolarHBondContact O-N 3.34Å; R94-E97 WeakPolarHBondContact CD-OE2 3.14Å; R94-E97 IonicContact CZ-OE2 3.6Å; R94-E97 IonicContact NE-OE2 2.67Å; R94-E97 IonicContact NH1-OE1 3.82Å; R94-E97 IonicContact NH1-OE2 3.83Å; R94-E97 PolarHBondContact NH1-OE2 3.4Å; R94-E97 PolarHBondContact O-N 3.1Å; E97-S99 VanDerWaalsContact C-N 3.32Å; E97-S99 PolarHBondContact O-N 3.49Å; E97-A100 PolarHBondContact O-N 3.25Å; E97-M101 HydrophobicContact CB-CE 4.48Å; E97-M101 WeakPolarHBondContact O-CB 3.3Å; E97-M101 WeakPolarHBondContact O-CG 3.29Å; E97-M101 PolarHBondContact O-N 2.88Å
98	V	95.9	Very high	89.5	Confident	82 Å²	82	87.5 Å²	87.5	50%	0.497	50%	0.504	S	S	.	.	H	α-helix	trans	-62.8	-41.6	179.5	171.2	0	0	0	0	110.6	R94 M101 L102	R94-V98 WeakPolarHBondContact O-CB 3.37Å; R94-V98 WeakPolarHBondContact O-CG2 3.15Å; R94-V98 PolarHBondContact O-N 3.14Å; V98-M101 HydrophobicContact CG2-CE 4.21Å; V98-M101 PolarHBondContact O-N 3.46Å; V98-L102 WeakPolarHBondContact O-CB 3.44Å; V98-L102 PolarHBondContact O-N 3.37Å
99	S	94.8	Very high	88.1	Confident	76 Å²	76	89.7 Å²	89.7	53%	0.531	51%	0.509	S	S	.	.	H	α-helix	trans	-63.9	-42.3	176.3	-60.5	0	0	0	0	111.6	A95 A96 E97 K103	A95-S99 WeakPolarHBondContact O-CB 3.44Å; A95-S99 PolarHBondContact O-N 3.05Å; A95-S99 PolarHBondContact O-OG 3.43Å; A96-S99 PolarHBondContact O-N 3.32Å; E97-S99 VanDerWaalsContact C-N 3.32Å; E97-S99 PolarHBondContact O-N 3.49Å; S99-K103 VanDerWaalsContact O-CB 3.24Å; S99-K103 WeakPolarHBondContact O-CB 3.31Å; S99-K103 PolarHBondContact O-N 3.28Å
100	A	94.4	Very high	86.5	Confident	59 Å²	59	90.5 Å²	90.5	49%	0.488	51%	0.511	S	S	.	.	H	α-helix	trans	-64.8	-45.1	176.4	0	0	0	0	0	111.7	A96 E97 K103 A104	A96-A100 VanDerWaalsContact O-CB 3.3Å; A96-A100 WeakPolarHBondContact O-CB 3.22Å; A96-A100 PolarHBondContact O-N 3.31Å; E97-A100 PolarHBondContact O-N 3.25Å; A100-K103 PolarHBondContact O-N 3.29Å; A100-A104 VanDerWaalsContact O-CB 3.31Å; A100-A104 WeakPolarHBondContact O-CB 3.38Å; A100-A104 PolarHBondContact O-N 3.12Å
101	M	93.4	Very high	84.8	Confident	117 Å²	117	87.8 Å²	87.8	58%	0.576	51%	0.505	S	S	*	.	H	α-helix	trans	-64.2	-45.4	177	-74.3	-170.1	-68.2	0	0	111.9	E97 V98 K103 A104 A105	E97-M101 HydrophobicContact CB-CE 4.48Å; E97-M101 WeakPolarHBondContact O-CB 3.3Å; E97-M101 WeakPolarHBondContact O-CG 3.29Å; E97-M101 PolarHBondContact O-N 2.88Å; V98-M101 HydrophobicContact CG2-CE 4.21Å; V98-M101 PolarHBondContact O-N 3.46Å; M101-K103 VanDerWaalsContact C-N 3.33Å; M101-K103 PolarHBondContact O-N 3.5Å; M101-A104 PolarHBondContact O-N 2.75Å; M101-A105 VanDerWaalsContact O-CB 3.22Å; M101-A105 WeakPolarHBondContact O-CB 3.27Å; M101-A105 PolarHBondContact O-N 2.77Å
102	L	92.3	Very high	83.3	Confident	116 Å²	116	90.5 Å²	90.5	61%	0.607	52%	0.521	S	S	*	.	H	α-helix	trans	-63.3	-42.4	179	-174.5	66.9	0	0	0	111	V98 T106	V98-L102 WeakPolarHBondContact O-CB 3.44Å; V98-L102 PolarHBondContact O-N 3.37Å; L102-T106 VanDerWaalsContact O-CB 3.28Å; L102-T106 WeakPolarHBondContact O-CB 3.44Å; L102-T106 PolarHBondContact O-N 3.19Å; L102-T106 PolarHBondContact O-OG1 3.3Å
103	K	90	Very high	82.2	Confident	135 Å²	135	86.3 Å²	86.3	59%	0.587	51%	0.509	S	S	*	.	H	α-helix	trans	-62.4	-50.1	175	-175.5	177.8	177.6	-178.4	0	111.3	S99 A100 M101 A105 T106 E107	S99-K103 VanDerWaalsContact O-CB 3.24Å; S99-K103 WeakPolarHBondContact O-CB 3.31Å; S99-K103 PolarHBondContact O-N 3.28Å; A100-K103 PolarHBondContact O-N 3.29Å; M101-K103 VanDerWaalsContact C-N 3.33Å; M101-K103 PolarHBondContact O-N 3.5Å; K103-A105 PolarHBondContact O-N 3.16Å; K103-T106 PolarHBondContact O-N 2.95Å; K103-E107 WeakPolarHBondContact CE-OE1 3.34Å; K103-E107 HydrophobicContact CG-CG 4.46Å; K103-E107 WeakPolarHBondContact CG-OE1 3.44Å; K103-E107 WeakPolarHBondContact O-CB 3.2Å; K103-E107 VanDerWaalsContact O-CG 3.31Å; K103-E107 WeakPolarHBondContact O-CG 3.36Å; K103-E107 PolarHBondContact O-N 2.93Å
104	A	87.3	Confident	81.5	Confident	46 Å²	46	84.8 Å²	84.8	38%	0.38	49%	0.494	S	S	.	.	H	α-helix	trans	-61.5	-44.3	179.2	0	0	0	0	0	112.1	A100 M101 E107 L108	A100-A104 VanDerWaalsContact O-CB 3.31Å; A100-A104 WeakPolarHBondContact O-CB 3.38Å; A100-A104 PolarHBondContact O-N 3.12Å; M101-A104 PolarHBondContact O-N 2.75Å; A104-E107 PolarHBondContact O-N 2.96Å; A104-L108 WeakPolarHBondContact O-CB 3.01Å; A104-L108 VanDerWaalsContact O-CG 3.28Å; A104-L108 WeakPolarHBondContact O-CG 3.2Å; A104-L108 PolarHBondContact O-N 3.29Å
105	A	84.6	Confident	80.7	Confident	49 Å²	49	81.4 Å²	81.4	41%	0.405	48%	0.483	S	S	.	.	H	α-helix	trans	-62.4	-45.4	176.9	0	0	0	0	0	111.1	M101 K103 L108 T109	M101-A105 VanDerWaalsContact O-CB 3.22Å; M101-A105 WeakPolarHBondContact O-CB 3.27Å; M101-A105 PolarHBondContact O-N 2.77Å; K103-A105 PolarHBondContact O-N 3.16Å; A105-L108 PolarHBondContact O-N 2.96Å; A105-T109 VanDerWaalsContact O-CB 3.23Å; A105-T109 WeakPolarHBondContact O-CB 3.45Å; A105-T109 VanDerWaalsContact O-CG2 3.26Å; A105-T109 WeakPolarHBondContact O-CG2 3.07Å; A105-T109 PolarHBondContact O-N 3.25Å; A105-T109 PolarHBondContact O-OG1 3.45Å
106	T	80.9	Confident	79.9	Confident	81 Å²	81	85.5 Å²	85.5	50%	0.497	49%	0.487	S	S	.	.	H	α-helix	trans	-66.6	-40.9	179.9	-54.6	0	0	0	0	112	L102 K103 T109 C110	L102-T106 VanDerWaalsContact O-CB 3.28Å; L102-T106 WeakPolarHBondContact O-CB 3.44Å; L102-T106 PolarHBondContact O-N 3.19Å; L102-T106 PolarHBondContact O-OG1 3.3Å; K103-T106 PolarHBondContact O-N 2.95Å; T106-T109 PolarHBondContact O-N 3.35Å; T106-C110 PolarHBondContact O-N 2.87Å; T106-C110 VanDerWaalsContact O-N 3.1Å
107	E	75.5	Confident	79.2	Confident	124 Å²	124	85.7 Å²	85.7	58%	0.579	49%	0.489	S	S	*	.	H	α-helix	trans	-63.1	-42.4	176.8	-75.8	-180	-174.2	0	0	111.9	K103 A104 C110	K103-E107 WeakPolarHBondContact CE-OE1 3.34Å; K103-E107 HydrophobicContact CG-CG 4.46Å; K103-E107 WeakPolarHBondContact CG-OE1 3.44Å; K103-E107 WeakPolarHBondContact O-CB 3.2Å; K103-E107 VanDerWaalsContact O-CG 3.31Å; K103-E107 WeakPolarHBondContact O-CG 3.36Å; K103-E107 PolarHBondContact O-N 2.93Å; A104-E107 PolarHBondContact O-N 2.96Å; E107-C110 PolarHBondContact O-SG 2.95Å
108	L	67.9	Low	78.6	Confident	144 Å²	144	82.6 Å²	82.6	75%	0.754	48%	0.475	S	S	*	.	H	α-helix	trans	-74	-37.3	177.8	-69.9	168.5	0	0	0	112.8	A104 A105	A104-L108 WeakPolarHBondContact O-CB 3.01Å; A104-L108 VanDerWaalsContact O-CG 3.28Å; A104-L108 WeakPolarHBondContact O-CG 3.2Å; A104-L108 PolarHBondContact O-N 3.29Å; A105-L108 PolarHBondContact O-N 2.96Å
109	T	60.3	Low	78.1	Confident	88 Å²	88	81.7 Å²	81.7	54%	0.54	47%	0.471	S	S	.	.	H	α-helix	trans	-86.4	-10.9	-173.6	55.4	0	0	0	0	114.7	A105 T106 S111	A105-T109 VanDerWaalsContact O-CB 3.23Å; A105-T109 WeakPolarHBondContact O-CB 3.45Å; A105-T109 VanDerWaalsContact O-CG2 3.26Å; A105-T109 WeakPolarHBondContact O-CG2 3.07Å; A105-T109 PolarHBondContact O-N 3.25Å; A105-T109 PolarHBondContact O-OG1 3.45Å; T106-T109 PolarHBondContact O-N 3.35Å; T109-S111 VanDerWaalsContact C-N 3.27Å; T109-S111 CarbonylContact O-C 3.57Å; T109-S111 WeakPolarHBondContact O-CA 3.46Å; T109-S111 PolarHBondContact O-N 3.29Å
110	C	50.6	Low	77.7	Confident	66 Å²	66	86.7 Å²	86.7	45%	0.446	48%	0.483	S	S	.	.	S	Bend	trans	-5.8	73.9	178	-82.2	0	0	0	0	115.3	T106 E107	T106-C110 PolarHBondContact O-N 2.87Å; T106-C110 VanDerWaalsContact O-N 3.1Å; E107-C110 PolarHBondContact O-SG 2.95Å
111	S	55.4	Low	77.2	Confident	47 Å²	47	90.7 Å²	90.7	33%	0.329	49%	0.491	S	S	.	.	S	Bend	trans	50.9	135.1	-159.1	72.9	0	0	0	0	115.1	T109 H113 R116	T109-S111 VanDerWaalsContact C-N 3.27Å; T109-S111 CarbonylContact O-C 3.57Å; T109-S111 WeakPolarHBondContact O-CA 3.46Å; T109-S111 PolarHBondContact O-N 3.29Å; S111-H113 PolarHBondContact O-N 3Å; S111-R116 VanDerWaalsContact OG-CD 3.3Å; S111-R116 WeakPolarHBondContact OG-CD 3.28Å; S111-R116 PolarHBondContact OG-NH1 2.9Å
112	S	60	Low	76.9	Confident	113 Å²	113	89.3 Å²	89.3	79%	0.79	49%	0.485	S	S	*	.	S	Bend	trans	-49	4.4	177.9	54.1	0	0	0	0	117.6
113	H	70.1	Confident	76.6	Confident	98 Å²	98	88.1 Å²	88.1	45%	0.454	47%	0.472	S	S	.	.			trans	-83.4	115.6	176	-76.2	-73.7	0	0	0	113.2	S111 F115 R116	S111-H113 PolarHBondContact O-N 3Å; H113-F115 PolarHBondContact O-N 2.87Å; H113-R116 PolarHBondContact O-N 2.81Å
114	V	76.7	Confident	76.6	Confident	18 Å²	18	88.1 Å²	88.1	11%	0.109	47%	0.468	C	S	.	.	H	α-helix	trans	-44.7	-34.7	172.2	174.2	0	0	0	0	113.4	R116 A117 L138 V141 M145	V114-R116 VanDerWaalsContact C-N 3.3Å; V114-R116 PolarHBondContact O-N 2.75Å; V114-A117 PolarHBondContact O-N 3.22Å; V114-L138 HydrophobicContact CG1-CB 4.17Å; V114-L138 HydrophobicContact CG1-CD2 4.4Å; V114-V141 HydrophobicContact CG2-CB 3.89Å; V114-V141 HydrophobicContact CG2-CG1 3.4Å; V114-M145 HydrophobicContact CB-CE 4.3Å; V114-M145 HydrophobicContact CB-SD 4.06Å; V114-M145 HydrophobicContact CG2-CE 3.47Å; V114-M145 VanDerWaalsContact CG2-CE 3.47Å; V114-M145 HydrophobicContact CG2-SD 3.75Å
115	F	76.8	Confident	76.6	Confident	50 Å²	50	97.8 Å²	97.8	22%	0.219	50%	0.495	C	S	.	.	H	α-helix	trans	-71.3	-21.9	-177.9	-54.7	-65.1	0	0	0	113.9	H113 M127 L134 A142	H113-F115 PolarHBondContact O-N 2.87Å; F115-M127 HydrophobicContact CB-CE 3.89Å; F115-M127 HydrophobicContact CB-CG 4.47Å; F115-M127 HydrophobicContact CB-SD 4Å; F115-M127 HydrophobicContact CD1-CB 4.31Å; F115-M127 HydrophobicContact CD1-CE 3.82Å; F115-M127 HydrophobicContact CD1-CG 3.59Å; F115-M127 HydrophobicContact CD1-SD 4.11Å; F115-M127 HydrophobicContact CE1-CG 4.15Å; F115-M127 HydrophobicContact CG-CE 4.35Å; F115-M127 HydrophobicContact CG-CG 4.28Å; F115-M127 HydrophobicContact CG-SD 4.45Å; F115-M127 WeakPolarHBondContact O-CE 3.38Å; F115-L134 HydrophobicContact CD1-CD1 4.16Å; F115-L134 HydrophobicContact CE1-CD1 3.88Å; F115-A142 HydrophobicContact CE1-CB 4Å; F115-A142 HydrophobicContact CZ-CB 4.22Å
116	R	80.1	Confident	76.7	Confident	138 Å²	138	97.8 Å²	97.8	52%	0.521	50%	0.495	S	S	.	.	H	α-helix	trans	-94	-17.7	176.7	-66.1	-168.3	-170.6	162	-8.8	113.2	S111 H113 V114 L118 R123	S111-R116 VanDerWaalsContact OG-CD 3.3Å; S111-R116 WeakPolarHBondContact OG-CD 3.28Å; S111-R116 PolarHBondContact OG-NH1 2.9Å; H113-R116 PolarHBondContact O-N 2.81Å; V114-R116 VanDerWaalsContact C-N 3.3Å; V114-R116 PolarHBondContact O-N 2.75Å; R116-L118 PolarHBondContact O-N 2.96Å; R116-R123 PolarHBondContact O-NH2 3.18Å
117	A	79.6	Confident	76.9	Confident	68 Å²	68	94.8 Å²	94.8	56%	0.562	48%	0.475	S	S	*	.	H	α-helix	trans	-58.7	-28.3	175.5	0	0	0	0	0	113.3	V114	V114-A117 PolarHBondContact O-N 3.22Å
118	L	84.1	Confident	77.1	Confident	19 Å²	19	91.6 Å²	91.6	10%	0.099	47%	0.467	C	S	.	.	S	Bend	trans	-70.7	141.5	178	-74.1	168.5	0	0	0	112.3	R116 M122 R123 M127 L134 P135 L138	R116-L118 PolarHBondContact O-N 2.96Å; L118-M122 HydrophobicContact CD2-CE 4.41Å; L118-R123 HydrophobicContact CB-CG 4.11Å; L118-R123 PolarHBondContact O-NE 3.47Å; L118-R123 PolarHBondContact O-NH2 3.04Å; L118-M127 HydrophobicContact CD1-CE 3.73Å; L118-L134 HydrophobicContact CD1-CD2 3.48Å; L118-L134 VanDerWaalsContact CD1-CD2 3.48Å; L118-P135 HydrophobicContact CD2-CG 4.11Å; L118-L138 HydrophobicContact CD1-CD1 4.33Å; L118-L138 HydrophobicContact CD2-CD1 3.94Å; L118-L138 HydrophobicContact CG-CD1 4Å
119	P	86.1	Confident	77.7	Confident	63 Å²	63	92.2 Å²	92.2	41%	0.409	47%	0.465	S	S	.	.			trans	-53.4	142.7	171.6	-27.8	35.1	0	0	0	112.4	H121 M122 R123	P119-H121 PolarHBondContact O-N 3.48Å; P119-M122 HydrophobicContact CB-CG 4.45Å; P119-M122 HydrophobicContact CB-SD 4.5Å; P119-M122 HydrophobicContact CG-SD 4.09Å; P119-M122 PolarHBondContact O-N 3.35Å; P119-R123 PolarHBondContact O-N 3.26Å
120	K	86	Confident	79	Confident	181 Å²	181	91.2 Å²	91.2	79%	0.787	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-39.1	-174.5	-68.7	179.6	-178.4	174.1	0	113.5	M122 R123	K120-M122 VanDerWaalsContact C-N 3.33Å; K120-M122 PolarHBondContact O-N 2.99Å; K120-R123 PolarHBondContact O-N 3.14Å
121	H	84.1	Confident	80.8	Confident	144 Å²	144	88.9 Å²	88.9	67%	0.667	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-21.7	-179.6	72.7	-84.9	0	0	0	114.1	P119 R124	P119-H121 PolarHBondContact O-N 3.48Å; H121-R124 PolarHBondContact O-NH1 3.12Å; H121-R124 VanDerWaalsContact O-NH1 3.14Å
122	M	85.5	Confident	82.5	Confident	88 Å²	88	94.2 Å²	94.2	43%	0.433	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-21.4	176.3	-66	-177.9	70.9	0	0	113.2	L118 P119 K120 R124	L118-M122 HydrophobicContact CD2-CE 4.41Å; P119-M122 HydrophobicContact CB-CG 4.45Å; P119-M122 HydrophobicContact CB-SD 4.5Å; P119-M122 HydrophobicContact CG-SD 4.09Å; P119-M122 PolarHBondContact O-N 3.35Å; K120-M122 VanDerWaalsContact C-N 3.33Å; K120-M122 PolarHBondContact O-N 2.99Å; M122-R124 PolarHBondContact O-NH1 3.22Å
123	R	87.9	Confident	83.9	Confident	90 Å²	90	96.7 Å²	96.7	34%	0.34	45%	0.45	S	S	.	.			trans	-59.2	147	-177.2	-65.4	-178.2	-169.6	175.4	3.3	112	R116 L118 P119 K120	R116-R123 PolarHBondContact O-NH2 3.18Å; L118-R123 HydrophobicContact CB-CG 4.11Å; L118-R123 PolarHBondContact O-NE 3.47Å; L118-R123 PolarHBondContact O-NH2 3.04Å; P119-R123 PolarHBondContact O-N 3.26Å; K120-R123 PolarHBondContact O-N 3.14Å
124	R	88.3	Confident	84.8	Confident	135 Å²	135	92.2 Å²	92.2	51%	0.509	43%	0.429	S	S	.	.			trans	-135.3	128.2	178.5	-61.8	-64.3	179	-98.7	0.5	109.7	H121 M122 A126 M127	H121-R124 PolarHBondContact O-NH1 3.12Å; H121-R124 VanDerWaalsContact O-NH1 3.14Å; M122-R124 PolarHBondContact O-NH1 3.22Å; R124-A126 PolarHBondContact O-N 3.06Å; R124-A126 VanDerWaalsContact O-N 3.13Å; R124-M127 WeakPolarHBondContact O-CB 3.09Å; R124-M127 WeakPolarHBondContact O-CG 3.35Å; R124-M127 PolarHBondContact O-N 3.01Å; R124-M127 VanDerWaalsContact O-N 3.14Å
125	R	87.9	Confident	85.4	Confident	250 Å²	250	94 Å²	94	94%	0.943	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-56.9	-32.9	-178.7	-66.5	-171.1	-71	-141.9	-0.1	113.9	M127	R125-M127 VanDerWaalsContact C-N 3.28Å; R125-M127 PolarHBondContact O-N 3.48Å
126	A	86.8	Confident	86	Confident	48 Å²	48	101.4 Å²	101.4	40%	0.397	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-83.8	8.3	-176.9	0	0	0	0	0	114.8	R124 S128 H129 N130	R124-A126 PolarHBondContact O-N 3.06Å; R124-A126 VanDerWaalsContact O-N 3.13Å; A126-S128 VanDerWaalsContact C-N 3.28Å; A126-S128 PolarHBondContact O-N 2.9Å; A126-H129 PolarHBondContact O-N 3.4Å; A126-N130 PolarHBondContact O-N 3.38Å
127	M	85	Confident	86.5	Confident	18 Å²	18	106 Å²	106	9%	0.089	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-66.2	-25.9	-177.9	68	-155.1	-57	0	0	113.8	F115 L118 R124 R125 L134	F115-M127 HydrophobicContact CB-CE 3.89Å; F115-M127 HydrophobicContact CB-CG 4.47Å; F115-M127 HydrophobicContact CB-SD 4Å; F115-M127 HydrophobicContact CD1-CB 4.31Å; F115-M127 HydrophobicContact CD1-CE 3.82Å; F115-M127 HydrophobicContact CD1-CG 3.59Å; F115-M127 HydrophobicContact CD1-SD 4.11Å; F115-M127 HydrophobicContact CE1-CG 4.15Å; F115-M127 HydrophobicContact CG-CE 4.35Å; F115-M127 HydrophobicContact CG-CG 4.28Å; F115-M127 HydrophobicContact CG-SD 4.45Å; F115-M127 WeakPolarHBondContact O-CE 3.38Å; L118-M127 HydrophobicContact CD1-CE 3.73Å; R124-M127 WeakPolarHBondContact O-CB 3.09Å; R124-M127 WeakPolarHBondContact O-CG 3.35Å; R124-M127 PolarHBondContact O-N 3.01Å; R124-M127 VanDerWaalsContact O-N 3.14Å; R125-M127 VanDerWaalsContact C-N 3.28Å; R125-M127 PolarHBondContact O-N 3.48Å; M127-L134 HydrophobicContact CB-CD2 4.33Å; M127-L134 HydrophobicContact CB-CG 4.22Å; M127-L134 HydrophobicContact CE-CD2 3.36Å; M127-L134 HydrophobicContact CE-CG 4.4Å
128	S	80.9	Confident	86.9	Confident	58 Å²	58	105 Å²	105	41%	0.406	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-41.1	175.4	53.3	0	0	0	0	112.6	A126	A126-S128 VanDerWaalsContact C-N 3.28Å; A126-S128 PolarHBondContact O-N 2.9Å
129	H	80.6	Confident	87.2	Confident	156 Å²	156	107.5 Å²	107.5	72%	0.722	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-35	-180	-63.5	-72	0	0	0	113.2	A126	A126-H129 PolarHBondContact O-N 3.4Å
130	N	87.2	Confident	87.3	Confident	67 Å²	67	109.8 Å²	109.8	36%	0.358	49%	0.487	S	S	.	.			trans	-130.9	102.3	-179.2	-176.4	-11.5	0	0	0	110.6	A126 K132 R133	A126-N130 PolarHBondContact O-N 3.38Å; N130-K132 PolarHBondContact O-N 3.37Å; N130-K132 WeakPolarHBondContact OD1-CB 3.28Å; N130-K132 WeakPolarHBondContact OD1-CG 3.45Å; N130-K132 PolarHBondContact OD1-N 3.31Å; N130-R133 HydrophobicContact CB-CG 4.36Å; N130-R133 WeakPolarHBondContact O-CB 3.38Å; N130-R133 WeakPolarHBondContact O-CG 3.46Å; N130-R133 PolarHBondContact O-N 3.33Å; N130-R133 VanDerWaalsContact O-N 3.1Å
131	T	88.1	Confident	87.4	Confident	17 Å²	17	103.4 Å²	103.4	10%	0.104	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-67.1	-16.1	-178.7	58.1	0	0	0	0	113	R133 L134 R139 A142 N143	T131-R133 PolarHBondContact O-N 2.98Å; T131-R133 VanDerWaalsContact O-N 3.11Å; T131-L134 WeakPolarHBondContact O-CB 3.41Å; T131-L134 PolarHBondContact O-N 3.39Å; T131-R139 WeakPolarHBondContact O-CG 3.37Å; T131-A142 HydrophobicContact CG2-CB 4.17Å; T131-N143 WeakPolarHBondContact CB-OD1 3.43Å; T131-N143 WeakPolarHBondContact CG2-OD1 3.27Å; T131-N143 PolarHBondContact OG1-OD1 3.01Å
132	K	90.1	Very high	87.6	Confident	160 Å²	160	96.5 Å²	96.5	70%	0.696	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-64	-15.6	171.8	-56.3	-175.6	178.8	-176.2	0	113	N130 L134 R139	N130-K132 PolarHBondContact O-N 3.37Å; N130-K132 WeakPolarHBondContact OD1-CB 3.28Å; N130-K132 WeakPolarHBondContact OD1-CG 3.45Å; N130-K132 PolarHBondContact OD1-N 3.31Å; K132-L134 VanDerWaalsContact C-N 3.26Å; K132-R139 PolarHBondContact O-NH2 2.81Å; K132-R139 VanDerWaalsContact O-NH2 3.07Å
133	R	89.8	Confident	87.7	Confident	164 Å²	164	94.8 Å²	94.8	62%	0.619	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-76.3	-11	173.5	-61.6	-62.4	-174.8	-174.9	-2.3	113.7	N130 T131	N130-R133 HydrophobicContact CB-CG 4.36Å; N130-R133 WeakPolarHBondContact O-CB 3.38Å; N130-R133 WeakPolarHBondContact O-CG 3.46Å; N130-R133 PolarHBondContact O-N 3.33Å; N130-R133 VanDerWaalsContact O-N 3.1Å; T131-R133 PolarHBondContact O-N 2.98Å; T131-R133 VanDerWaalsContact O-N 3.11Å
134	L	89.5	Confident	87.7	Confident	4 Å²	4	97.5 Å²	97.5	2%	0.021	43%	0.434	C	S	.	.	S	Bend	trans	-91.3	153.2	172.7	-71.8	168.5	0	0	0	111.6	F115 L118 M127 T131 K132 L138 R139 A142	F115-L134 HydrophobicContact CD1-CD1 4.16Å; F115-L134 HydrophobicContact CE1-CD1 3.88Å; L118-L134 HydrophobicContact CD1-CD2 3.48Å; L118-L134 VanDerWaalsContact CD1-CD2 3.48Å; M127-L134 HydrophobicContact CB-CD2 4.33Å; M127-L134 HydrophobicContact CB-CG 4.22Å; M127-L134 HydrophobicContact CE-CD2 3.36Å; M127-L134 HydrophobicContact CE-CG 4.4Å; T131-L134 WeakPolarHBondContact O-CB 3.41Å; T131-L134 PolarHBondContact O-N 3.39Å; K132-L134 VanDerWaalsContact C-N 3.26Å; L134-L138 HydrophobicContact CB-CB 4.5Å; L134-R139 HydrophobicContact CB-CG 4.24Å; L134-R139 PolarHBondContact O-NE 3.43Å; L134-R139 PolarHBondContact O-NH2 3.28Å; L134-A142 HydrophobicContact CD1-CB 3.34Å
135	P	90.2	Very high	87.6	Confident	55 Å²	55	93.6 Å²	93.6	36%	0.357	42%	0.422	S	S	.	.			trans	-53.9	144.7	165.3	-23.5	34	0	0	0	111.4	L118 R137 L138 R139	L118-P135 HydrophobicContact CD2-CG 4.11Å; P135-R137 VanDerWaalsContact C-N 3.28Å; P135-R137 PolarHBondContact O-N 3.39Å; P135-L138 HydrophobicContact CG-CD1 4.46Å; P135-L138 PolarHBondContact O-N 3.24Å; P135-R139 WeakPolarHBondContact O-CG 3.42Å; P135-R139 PolarHBondContact O-N 2.93Å
136	R	89.4	Confident	87.4	Confident	206 Å²	206	87.1 Å²	87.1	78%	0.777	40%	0.397	S	S	*	.	H	α-helix	trans	-50.8	-44.5	-174.9	-70.7	-174.2	-179.5	-166.5	-0.1	112.7	L138 R139	R136-L138 PolarHBondContact O-N 3.49Å; R136-R139 WeakPolarHBondContact O-CB 3.36Å; R136-R139 PolarHBondContact O-N 3.28Å
137	R	89.5	Confident	87.4	Confident	235 Å²	235	89.9 Å²	89.9	89%	0.887	40%	0.402	S	S	*	.	H	α-helix	trans	-55.3	-33.9	178.5	-62.8	-177.5	-176.9	169.1	-0.3	113.9	P135	P135-R137 VanDerWaalsContact C-N 3.28Å; P135-R137 PolarHBondContact O-N 3.39Å
138	L	87.8	Confident	87.4	Confident	47 Å²	47	96 Å²	96	25%	0.246	43%	0.428	C	S	.	.	H	α-helix	trans	-91.5	-8.3	-178	-60.5	-179	0	0	0	113.5	V114 L118 L134 P135 R136 A142	V114-L138 HydrophobicContact CG1-CB 4.17Å; V114-L138 HydrophobicContact CG1-CD2 4.4Å; L118-L138 HydrophobicContact CD1-CD1 4.33Å; L118-L138 HydrophobicContact CD2-CD1 3.94Å; L118-L138 HydrophobicContact CG-CD1 4Å; L134-L138 HydrophobicContact CB-CB 4.5Å; P135-L138 HydrophobicContact CG-CD1 4.46Å; P135-L138 PolarHBondContact O-N 3.24Å; R136-L138 PolarHBondContact O-N 3.49Å; L138-A142 WeakPolarHBondContact O-CB 3.46Å; L138-A142 PolarHBondContact O-N 3.22Å; L138-A142 VanDerWaalsContact O-N 3.11Å
139	R	90.1	Very high	87.5	Confident	72 Å²	72	97 Å²	97	27%	0.272	44%	0.436	S	S	.	.	H	α-helix	trans	-67.5	-40.7	-175.3	-66.2	-176	-173.2	170.9	-2.2	112.3	T131 K132 L134 P135 R136 V141 A142 N143	T131-R139 WeakPolarHBondContact O-CG 3.37Å; K132-R139 PolarHBondContact O-NH2 2.81Å; K132-R139 VanDerWaalsContact O-NH2 3.07Å; L134-R139 HydrophobicContact CB-CG 4.24Å; L134-R139 PolarHBondContact O-NE 3.43Å; L134-R139 PolarHBondContact O-NH2 3.28Å; P135-R139 WeakPolarHBondContact O-CG 3.42Å; P135-R139 PolarHBondContact O-N 2.93Å; R136-R139 WeakPolarHBondContact O-CB 3.36Å; R136-R139 PolarHBondContact O-N 3.28Å; R139-V141 PolarHBondContact O-N 3.45Å; R139-A142 PolarHBondContact O-N 3.2Å; R139-N143 WeakPolarHBondContact O-CB 3.35Å; R139-N143 VanDerWaalsContact O-CG 3.26Å; R139-N143 PolarHBondContact O-N 3.25Å
140	N	89	Confident	87.5	Confident	111 Å²	111	94.4 Å²	94.4	59%	0.594	43%	0.426	S	S	*	.	H	α-helix	trans	-63.6	-42.7	-178.1	-62.9	-3.9	0	0	0	111.2	N143 R144	N140-N143 PolarHBondContact O-N 2.93Å; N140-R144 WeakPolarHBondContact O-CG 3.29Å; N140-R144 PolarHBondContact O-N 3.1Å; N140-R144 VanDerWaalsContact O-N 3.12Å
141	V	87.4	Confident	87.1	Confident	46 Å²	46	97.7 Å²	97.7	28%	0.279	44%	0.44	S	S	.	.	H	α-helix	trans	-67.3	-41.3	176.4	-161.9	0	0	0	0	111	V114 R139 R144 M145	V114-V141 HydrophobicContact CG2-CB 3.89Å; V114-V141 HydrophobicContact CG2-CG1 3.4Å; R139-V141 PolarHBondContact O-N 3.45Å; V141-R144 PolarHBondContact O-N 2.97Å; V141-M145 HydrophobicContact CG1-CE 4.22Å; V141-M145 WeakPolarHBondContact O-CG 3.42Å; V141-M145 PolarHBondContact O-N 2.93Å
142	A	88.5	Confident	86.6	Confident	0 Å²	0	100.5 Å²	100.5	0%	0	46%	0.464	C	S	.	.	H	α-helix	trans	-66.4	-36.6	177.6	0	0	0	0	0	113.3	F115 T131 L134 L138 R139 M145 R146	F115-A142 HydrophobicContact CE1-CB 4Å; F115-A142 HydrophobicContact CZ-CB 4.22Å; T131-A142 HydrophobicContact CG2-CB 4.17Å; L134-A142 HydrophobicContact CD1-CB 3.34Å; L138-A142 WeakPolarHBondContact O-CB 3.46Å; L138-A142 PolarHBondContact O-N 3.22Å; L138-A142 VanDerWaalsContact O-N 3.11Å; R139-A142 PolarHBondContact O-N 3.2Å; A142-M145 PolarHBondContact O-N 3.35Å; A142-R146 WeakPolarHBondContact O-CB 2.79Å; A142-R146 PolarHBondContact O-N 3.43Å
143	N	88.9	Confident	85.5	Confident	52 Å²	52	94.8 Å²	94.8	28%	0.278	45%	0.451	S	S	.	.	H	α-helix	trans	-64.5	-47.7	174.7	-73.3	-14	0	0	0	110.5	T131 R139 N140 M145 R146 E147	T131-N143 WeakPolarHBondContact CB-OD1 3.43Å; T131-N143 WeakPolarHBondContact CG2-OD1 3.27Å; T131-N143 PolarHBondContact OG1-OD1 3.01Å; R139-N143 WeakPolarHBondContact O-CB 3.35Å; R139-N143 VanDerWaalsContact O-CG 3.26Å; R139-N143 PolarHBondContact O-N 3.25Å; N140-N143 PolarHBondContact O-N 2.93Å; N143-M145 VanDerWaalsContact C-N 3.31Å; N143-M145 PolarHBondContact O-N 3.47Å; N143-R146 CarbonylContact O-C 3.59Å; N143-R146 WeakPolarHBondContact O-CA 3.47Å; N143-R146 WeakPolarHBondContact O-CB 3.17Å; N143-R146 PolarHBondContact O-N 2.88Å; N143-E147 WeakPolarHBondContact O-CG 3.09Å; N143-E147 PolarHBondContact O-N 3.4Å
144	R	87.8	Confident	84	Confident	147 Å²	147	94 Å²	94	56%	0.555	46%	0.459	S	S	*	.	H	α-helix	trans	-56.9	-42.6	174.3	-72.1	-173.6	-71	174.1	-3	112.5	N140 V141 E147 K148	N140-R144 WeakPolarHBondContact O-CG 3.29Å; N140-R144 PolarHBondContact O-N 3.1Å; N140-R144 VanDerWaalsContact O-N 3.12Å; V141-R144 PolarHBondContact O-N 2.97Å; R144-E147 PolarHBondContact O-N 3.12Å; R144-K148 WeakPolarHBondContact O-CG 3.35Å; R144-K148 PolarHBondContact O-N 2.94Å
145	M	84.8	Confident	82.5	Confident	53 Å²	53	103.1 Å²	103.1	26%	0.261	50%	0.498	S	S	.	.	H	α-helix	trans	-65	-38.2	175.2	-72.8	-177.8	172.3	0	0	112.6	V114 V141 A142 N143 S149	V114-M145 HydrophobicContact CB-CE 4.3Å; V114-M145 HydrophobicContact CB-SD 4.06Å; V114-M145 HydrophobicContact CG2-CE 3.47Å; V114-M145 VanDerWaalsContact CG2-CE 3.47Å; V114-M145 HydrophobicContact CG2-SD 3.75Å; V141-M145 HydrophobicContact CG1-CE 4.22Å; V141-M145 WeakPolarHBondContact O-CG 3.42Å; V141-M145 PolarHBondContact O-N 2.93Å; A142-M145 PolarHBondContact O-N 3.35Å; N143-M145 VanDerWaalsContact C-N 3.31Å; N143-M145 PolarHBondContact O-N 3.47Å; M145-S149 WeakPolarHBondContact O-CB 3.36Å; M145-S149 PolarHBondContact O-N 3.22Å; M145-S149 PolarHBondContact O-OG 3.35Å
146	R	83.5	Confident	80.9	Confident	114 Å²	114	109.4 Å²	109.4	43%	0.43	52%	0.519	S	S	.	.	H	α-helix	trans	-66.9	-44	176.8	-178.3	-178.9	174.3	-160.2	-3.4	111.3	A142 N143 S149 L150	A142-R146 WeakPolarHBondContact O-CB 2.79Å; A142-R146 PolarHBondContact O-N 3.43Å; N143-R146 CarbonylContact O-C 3.59Å; N143-R146 WeakPolarHBondContact O-CA 3.47Å; N143-R146 WeakPolarHBondContact O-CB 3.17Å; N143-R146 PolarHBondContact O-N 2.88Å; R146-S149 WeakPolarHBondContact O-CB 3.3Å; R146-S149 PolarHBondContact O-N 3.19Å; R146-S149 VanDerWaalsContact O-N 3.16Å; R146-L150 HydrophobicContact CG-CD1 4.17Å; R146-L150 HydrophobicContact CG-CG 4.5Å; R146-L150 WeakPolarHBondContact O-CG 3.36Å; R146-L150 PolarHBondContact O-N 3.1Å
147	E	86.5	Confident	79	Confident	105 Å²	105	109.4 Å²	109.4	49%	0.491	53%	0.525	S	S	.	.	H	α-helix	trans	-58.4	-48.6	174.6	-73.9	155.9	-159.4	0	0	110.9	N143 R144 S149 L150 Q151	N143-E147 WeakPolarHBondContact O-CG 3.09Å; N143-E147 PolarHBondContact O-N 3.4Å; R144-E147 PolarHBondContact O-N 3.12Å; E147-S149 VanDerWaalsContact C-N 3.27Å; E147-S149 PolarHBondContact O-N 3.2Å; E147-L150 PolarHBondContact O-N 2.87Å; E147-L150 VanDerWaalsContact O-N 3.12Å; E147-Q151 WeakPolarHBondContact O-CB 3.35Å; E147-Q151 WeakPolarHBondContact O-CG 3.41Å; E147-Q151 PolarHBondContact O-N 2.66Å
148	K	86.1	Confident	77.2	Confident	146 Å²	146	108.1 Å²	108.1	64%	0.635	53%	0.526	S	S	*	.	H	α-helix	trans	-56.4	-40.3	173.4	-72.4	-178.9	179.3	-166.8	0	112.7	R144 A152	R144-K148 WeakPolarHBondContact O-CG 3.35Å; R144-K148 PolarHBondContact O-N 2.94Å; K148-A152 WeakPolarHBondContact O-CB 3.5Å; K148-A152 PolarHBondContact O-N 2.88Å
149	S	82.4	Confident	75.6	Confident	81 Å²	81	113.8 Å²	113.8	57%	0.566	55%	0.551	S	S	*	*	H	α-helix	trans	-69.3	-36.9	177.9	-55.5	0	0	0	0	112.6	M145 R146 E147 G153	M145-S149 WeakPolarHBondContact O-CB 3.36Å; M145-S149 PolarHBondContact O-N 3.22Å; M145-S149 PolarHBondContact O-OG 3.35Å; R146-S149 WeakPolarHBondContact O-CB 3.3Å; R146-S149 PolarHBondContact O-N 3.19Å; R146-S149 VanDerWaalsContact O-N 3.16Å; E147-S149 VanDerWaalsContact C-N 3.27Å; E147-S149 PolarHBondContact O-N 3.2Å; S149-G153 PolarHBondContact O-N 3.37Å
150	L	80.8	Confident	74.2	Confident	100 Å²	100	117.9 Å²	117.9	52%	0.524	58%	0.578	S	S	.	*	H	α-helix	trans	-68.8	-43.4	175.4	-71.1	168.8	0	0	0	110.9	R146 E147 A152 G153 L154	R146-L150 HydrophobicContact CG-CD1 4.17Å; R146-L150 HydrophobicContact CG-CG 4.5Å; R146-L150 WeakPolarHBondContact O-CG 3.36Å; R146-L150 PolarHBondContact O-N 3.1Å; E147-L150 PolarHBondContact O-N 2.87Å; E147-L150 VanDerWaalsContact O-N 3.12Å; L150-A152 VanDerWaalsContact C-N 3.32Å; L150-A152 PolarHBondContact O-N 3.44Å; L150-G153 PolarHBondContact O-N 3.16Å; L150-L154 WeakPolarHBondContact O-CG 3.38Å; L150-L154 PolarHBondContact O-N 3.31Å
151	Q	80	Confident	72.6	Confident	137 Å²	137	119.7 Å²	119.7	64%	0.64	59%	0.592	S	S	*	*	H	α-helix	trans	-60.5	-40.1	174.7	-72.7	174.2	-9.9	0	0	112.1	E147 G153	E147-Q151 WeakPolarHBondContact O-CB 3.35Å; E147-Q151 WeakPolarHBondContact O-CG 3.41Å; E147-Q151 PolarHBondContact O-N 2.66Å; Q151-G153 VanDerWaalsContact C-N 3.33Å
152	A	77.1	Confident	71.6	Confident	75 Å²	75	125.5 Å²	125.5	62%	0.62	61%	0.614	S	S	*	*	H	α-helix	trans	-67.8	-31.3	173	0	0	0	0	0	113.1	K148 L150	K148-A152 WeakPolarHBondContact O-CB 3.5Å; K148-A152 PolarHBondContact O-N 2.88Å; L150-A152 VanDerWaalsContact C-N 3.32Å; L150-A152 PolarHBondContact O-N 3.44Å
153	G	65.8	Low	70.5	Confident	41 Å²	41	130.2 Å²	130.2	42%	0.423	65%	0.647	S	S	.	*	H	α-helix	trans	-80.4	-25.2	-179.3	0	0	0	0	0	115.2	S149 L150 Q151 K155 K156	S149-G153 PolarHBondContact O-N 3.37Å; L150-G153 PolarHBondContact O-N 3.16Å; Q151-G153 VanDerWaalsContact C-N 3.33Å; G153-K155 PolarHBondContact O-N 3.09Å; G153-K155 VanDerWaalsContact O-N 3.08Å; G153-K156 PolarHBondContact O-N 3.18Å
154	L	59.9	Low	69.7	Low	148 Å²	148	135.5 Å²	135.5	78%	0.775	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-17.3	178.9	-78.1	164.7	0	0	0	113.6	L150 K156	L150-L154 WeakPolarHBondContact O-CG 3.38Å; L150-L154 PolarHBondContact O-N 3.31Å; L154-K156 VanDerWaalsContact C-N 3.27Å; L154-K156 PolarHBondContact O-N 2.82Å
155	K	57	Low	69	Low	194 Å²	194	131.9 Å²	131.9	84%	0.843	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-8.1	173.2	-65.5	-170.5	177.3	-172.7	0	114.1	G153	G153-K155 PolarHBondContact O-N 3.09Å; G153-K155 VanDerWaalsContact O-N 3.08Å
156	K	57.6	Low	68.4	Low	187 Å²	187	137.2 Å²	137.2	81%	0.813	68%	0.682	S	S	*	*	S	Bend	trans	-143.3	110.7	176.5	-74.1	-174.6	177.5	178.7	0	112.3	G153 L154	G153-K156 PolarHBondContact O-N 3.18Å; L154-K156 VanDerWaalsContact C-N 3.27Å; L154-K156 PolarHBondContact O-N 2.82Å
157	K	48.1	Very low	67.6	Low	206 Å²	206	139 Å²	139	90%	0.896	69%	0.693	S	S	*	*			trans	95.7	124.6	163.3	-83.3	-178.5	168.9	176.2	0	120	E159	K157-E159 PolarHBondContact O-N 2.85Å
158	K	51.3	Low	66.9	Low	208 Å²	208	135.8 Å²	135.8	90%	0.904	68%	0.684	S	S	*	*			trans	-55.9	117.2	156	-146.4	172.1	-173.9	176.1	0	109	L160	K158-L160 PolarHBondContact O-N 2.83Å
159	E	55.2	Low	66.4	Low	166 Å²	166	136.4 Å²	136.4	78%	0.776	68%	0.682	S	S	*	*			trans	-71.6	110.3	-179.5	-86.2	-160.5	127.1	0	0	111.1	K157 K162	K157-E159 PolarHBondContact O-N 2.85Å; E159-K162 IonicContact OE1-NZ 3.83Å
160	L	60.6	Low	65.9	Low	159 Å²	159	140.6 Å²	140.6	83%	0.832	69%	0.686	S	S	*	*			trans	-64.8	136.7	166.1	-76.7	157.2	0	0	0	110.3	K158 K162	K158-L160 PolarHBondContact O-N 2.83Å; L160-K162 PolarHBondContact O-N 3.3Å
161	V	55.2	Low	65.5	Low	148 Å²	148	143.9 Å²	143.9	90%	0.897	69%	0.691	S	S	*	*			trans	-59.1	106.7	177.1	-179.4	0	0	0	0	109.6	S163	V161-S163 PolarHBondContact O-N 3.31Å
162	K	65.8	Low	65.2	Low	168 Å²	168	141.9 Å²	141.9	73%	0.73	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-68.9	123.6	178.9	-70.2	170.4	-176.2	149.3	0	109.6	E159 L160	E159-K162 IonicContact OE1-NZ 3.83Å; L160-K162 PolarHBondContact O-N 3.3Å
163	S	65.9	Low	65.1	Low	100 Å²	100	142.2 Å²	142.2	70%	0.699	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-49.4	145.7	172.1	-178.1	0	0	0	0	112	V161 S165	V161-S163 PolarHBondContact O-N 3.31Å; S163-S165 PolarHBondContact O-N 2.96Å; S163-S165 VanDerWaalsContact O-N 3.11Å
164	K	72	Confident	66	Low	162 Å²	162	143.5 Å²	143.5	70%	0.704	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-48.6	122	179.4	-73.3	179.2	-178.6	171.5	0	109.9	A168 R169	K164-A168 HydrophobicContact CB-CB 4.46Å; K164-R169 HydrophobicContact CB-CG 4.44Å; K164-R169 PolarHBondContact O-NE 2.95Å
165	S	73.2	Confident	67.1	Low	72 Å²	72	141 Å²	141	50%	0.503	68%	0.676	S	S	.	*	P	Polyproline II helix	trans	-51.6	149	-176.6	71.3	0	0	0	0	112	S163 K167 A168 R169	S163-S165 PolarHBondContact O-N 2.96Å; S163-S165 VanDerWaalsContact O-N 3.11Å; S165-K167 PolarHBondContact O-N 3.24Å; S165-A168 WeakPolarHBondContact O-CA 3.2Å; S165-A168 WeakPolarHBondContact O-CB 3.37Å; S165-A168 PolarHBondContact O-N 2.61Å; S165-A168 PolarHBondContact OG-N 3.36Å; S165-R169 PolarHBondContact O-N 3.35Å; S165-R169 VanDerWaalsContact O-N 3.08Å
166	R	72.4	Confident	68.3	Low	165 Å²	165	133.6 Å²	133.6	62%	0.623	65%	0.646	S	S	*	*	H	α-helix	trans	-49.9	-34.7	175.8	-172.7	-176	-74.7	-175.1	-3.2	112	R169 R170	R166-R169 PolarHBondContact O-N 3.01Å; R166-R170 WeakPolarHBondContact O-CB 3.11Å; R166-R170 WeakPolarHBondContact O-CG 3.39Å; R166-R170 PolarHBondContact O-N 3.06Å; R166-R170 VanDerWaalsContact O-N 3.12Å
167	K	67.6	Low	69.4	Low	152 Å²	152	129.1 Å²	129.1	66%	0.661	63%	0.63	S	S	*	*	H	α-helix	trans	-62.7	-45.2	174.9	-175.9	179.4	-179.6	-178.2	0	112.4	S165 R169 R170 R171	S165-K167 PolarHBondContact O-N 3.24Å; K167-R169 VanDerWaalsContact C-N 3.34Å; K167-R170 PolarHBondContact O-N 3.07Å; K167-R171 WeakPolarHBondContact O-CG 3.45Å; K167-R171 PolarHBondContact O-N 3.07Å
168	A	71.3	Confident	71.1	Confident	36 Å²	36	120.8 Å²	120.8	30%	0.298	60%	0.595	S	S	.	*	H	α-helix	trans	-67.1	-35.3	178.3	0	0	0	0	0	112	K164 S165 R170	K164-A168 HydrophobicContact CB-CB 4.46Å; S165-A168 WeakPolarHBondContact O-CA 3.2Å; S165-A168 WeakPolarHBondContact O-CB 3.37Å; S165-A168 PolarHBondContact O-N 2.61Å; S165-A168 PolarHBondContact OG-N 3.36Å; A168-R170 VanDerWaalsContact C-N 3.35Å
169	R	74.5	Confident	72.7	Confident	159 Å²	159	113.2 Å²	113.2	60%	0.6	56%	0.562	S	S	*	*	H	α-helix	trans	-68.1	-31.6	175.7	-70.5	-169.5	-78.1	163	-3.8	113.5	K164 S165 R166 K167	K164-R169 HydrophobicContact CB-CG 4.44Å; K164-R169 PolarHBondContact O-NE 2.95Å; S165-R169 PolarHBondContact O-N 3.35Å; S165-R169 VanDerWaalsContact O-N 3.08Å; R166-R169 PolarHBondContact O-N 3.01Å; K167-R169 VanDerWaalsContact C-N 3.34Å
170	R	72.1	Confident	74	Confident	170 Å²	170	106.8 Å²	106.8	64%	0.642	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	10.9	-177.3	-66.3	-176.9	179.1	-176.1	-2.7	114.6	R166 K167 A168 H172	R166-R170 WeakPolarHBondContact O-CB 3.11Å; R166-R170 WeakPolarHBondContact O-CG 3.39Å; R166-R170 PolarHBondContact O-N 3.06Å; R166-R170 VanDerWaalsContact O-N 3.12Å; K167-R170 PolarHBondContact O-N 3.07Å; A168-R170 VanDerWaalsContact C-N 3.35Å; R170-H172 PolarHBondContact O-N 3.45Å
171	R	72.9	Confident	75	Confident	168 Å²	168	105.1 Å²	105.1	63%	0.634	52%	0.515	S	S	*	.			trans	-75.1	119.7	174.2	-68	-164.5	-174	-170	4.8	109.4	K167	K167-R171 WeakPolarHBondContact O-CG 3.45Å; K167-R171 PolarHBondContact O-N 3.07Å
172	H	73.3	Confident	76.3	Confident	96 Å²	96	102.7 Å²	102.7	44%	0.444	49%	0.49	S	S	.	.			trans	-80.3	152.8	171.7	-51.7	-33.8	0	0	0	109.4	R170	R170-H172 PolarHBondContact O-N 3.45Å
173	G	76.6	Confident	77	Confident	82 Å²	82	96.1 Å²	96.1	85%	0.845	46%	0.462	S	S	*	.	S	Bend	trans	-62.8	-63.2	179.6	0	0	0	0	0	111.5
174	N	83.9	Confident	77.6	Confident	67 Å²	67	101.2 Å²	101.2	36%	0.358	47%	0.466	S	S	.	.			trans	-107.2	112.2	175.3	-169.4	-26.5	0	0	0	110.8	L176 L177	N174-L176 WeakPolarHBondContact OD1-CB 3.46Å; N174-L176 PolarHBondContact OD1-N 2.86Å; N174-L177 HydrophobicContact CB-CB 4.42Å; N174-L177 HydrophobicContact CB-CD1 4.08Å; N174-L177 HydrophobicContact CB-CG 4.3Å; N174-L177 PolarHBondContact OD1-N 2.99Å
175	L	83.5	Confident	78	Confident	96 Å²	96	101.9 Å²	101.9	50%	0.503	47%	0.469	S	S	.	.	H	α-helix	trans	-72.1	-30.9	-179.1	-173.8	64.3	0	0	0	112.5	E178 F179	L175-E178 PolarHBondContact O-N 3.37Å; L175-F179 HydrophobicContact CD1-CD1 4.37Å; L175-F179 HydrophobicContact CD1-CE1 3.7Å; L175-F179 HydrophobicContact CD1-CE2 4.21Å; L175-F179 HydrophobicContact CD1-CZ 3.61Å; L175-F179 HydrophobicContact CD2-CE2 3.71Å; L175-F179 HydrophobicContact CD2-CZ 3.59Å; L175-F179 HydrophobicContact CG-CD2 4.14Å; L175-F179 HydrophobicContact CG-CE1 3.97Å; L175-F179 HydrophobicContact CG-CE2 3.54Å; L175-F179 HydrophobicContact CG-CZ 3.44Å; L175-F179 VanDerWaalsContact CG-CZ 3.44Å; L175-F179 VanDerWaalsContact O-CG 3.31Å; L175-F179 WeakPolarHBondContact O-CG 3.31Å; L175-F179 PolarHBondContact O-N 2.99Å
176	L	81.6	Confident	78.4	Confident	39 Å²	39	100.1 Å²	100.1	20%	0.204	45%	0.454	C	S	.	.	H	α-helix	trans	-68.7	-46.6	-177.1	-179.8	58.3	0	0	0	111.2	N174 E178 F179 N180 P381 K383	N174-L176 WeakPolarHBondContact OD1-CB 3.46Å; N174-L176 PolarHBondContact OD1-N 2.86Å; L176-E178 PolarHBondContact O-N 3.29Å; L176-F179 WeakPolarHBondContact O-CB 3.28Å; L176-F179 PolarHBondContact O-N 2.78Å; L176-N180 PolarHBondContact O-N 2.92Å; L176-N180 PolarHBondContact O-OD1 3.45Å; L176-P381 WeakPolarHBondContact CD2-O 3.45Å; L176-K383 HydrophobicContact CD1-CB 4.46Å; L176-K383 HydrophobicContact CD1-CG 3.84Å; L176-K383 HydrophobicContact CD2-CB 4.49Å; L176-K383 HydrophobicContact CD2-CG 3.78Å; L176-K383 HydrophobicContact CG-CG 4.48Å
177	L	80.6	Confident	79.1	Confident	92 Å²	92	94.3 Å²	94.3	48%	0.482	44%	0.435	S	S	.	.	H	α-helix	trans	-59.3	-37.7	175.5	-68.9	177.8	0	0	0	112.2	N174 N180 R181 P381	N174-L177 HydrophobicContact CB-CB 4.42Å; N174-L177 HydrophobicContact CB-CD1 4.08Å; N174-L177 HydrophobicContact CB-CG 4.3Å; N174-L177 PolarHBondContact OD1-N 2.99Å; L177-N180 PolarHBondContact O-N 2.78Å; L177-R181 WeakPolarHBondContact O-CB 3.33Å; L177-R181 PolarHBondContact O-N 3.44Å; L177-P381 HydrophobicContact CD2-CB 4.42Å; L177-P381 HydrophobicContact CD2-CG 3.91Å; L177-P381 HydrophobicContact CG-CG 4.16Å
178	E	83.5	Confident	80.1	Confident	32 Å²	32	88.3 Å²	88.3	15%	0.15	41%	0.408	C	S	.	.	H	α-helix	trans	-69.2	-34.2	176.2	178.7	65.4	-173.9	0	0	112.3	L175 L176 R181 R182	L175-E178 PolarHBondContact O-N 3.37Å; L176-E178 PolarHBondContact O-N 3.29Å; E178-R181 IonicContact OE1-CZ 3.91Å; E178-R181 IonicContact OE1-NE 3.95Å; E178-R181 IonicContact OE1-NH2 2.82Å; E178-R181 PolarHBondContact OE1-NH2 3.3Å; E178-R181 IonicContact OE2-CZ 3.16Å; E178-R181 IonicContact OE2-NE 2.7Å; E178-R181 PolarHBondContact OE2-NE 3.48Å; E178-R181 IonicContact OE2-NH2 2.76Å; E178-R181 PolarHBondContact OE2-NH2 2.86Å; E178-R182 VanDerWaalsContact O-CG 3.26Å; E178-R182 WeakPolarHBondContact O-CG 3.22Å; E178-R182 PolarHBondContact O-N 3.26Å; E178-R182 VanDerWaalsContact O-N 3.12Å; E178-R182 IonicContact OE1-CZ 3.86Å; E178-R182 VanDerWaalsContact OE1-CZ 3.31Å; E178-R182 IonicContact OE1-NE 3.6Å; E178-R182 PolarHBondContact OE1-NE 3Å; E178-R182 IonicContact OE1-NH2 3.4Å; E178-R182 PolarHBondContact OE1-NH2 3.42Å
179	F	84.9	Confident	81	Confident	49 Å²	49	87.1 Å²	87.1	22%	0.215	40%	0.396	C	S	.	.	H	α-helix	trans	-65.9	-47.5	171.8	-67.3	-23.9	0	0	0	111.3	L175 L176 R181 R182 Q183 W188 I193	L175-F179 HydrophobicContact CD1-CD1 4.37Å; L175-F179 HydrophobicContact CD1-CE1 3.7Å; L175-F179 HydrophobicContact CD1-CE2 4.21Å; L175-F179 HydrophobicContact CD1-CZ 3.61Å; L175-F179 HydrophobicContact CD2-CE2 3.71Å; L175-F179 HydrophobicContact CD2-CZ 3.59Å; L175-F179 HydrophobicContact CG-CD2 4.14Å; L175-F179 HydrophobicContact CG-CE1 3.97Å; L175-F179 HydrophobicContact CG-CE2 3.54Å; L175-F179 HydrophobicContact CG-CZ 3.44Å; L175-F179 VanDerWaalsContact CG-CZ 3.44Å; L175-F179 VanDerWaalsContact O-CG 3.31Å; L175-F179 WeakPolarHBondContact O-CG 3.31Å; L175-F179 PolarHBondContact O-N 2.99Å; L176-F179 WeakPolarHBondContact O-CB 3.28Å; L176-F179 PolarHBondContact O-N 2.78Å; F179-R181 VanDerWaalsContact C-N 3.26Å; F179-R181 PolarHBondContact O-N 3.26Å; F179-R182 PolarHBondContact O-N 2.81Å; F179-Q183 WeakPolarHBondContact O-CG 3.29Å; F179-Q183 PolarHBondContact O-N 3.47Å; F179-W188 HydrophobicContact CB-CZ3 4.01Å; F179-W188 AromaticContact CD1-CH2 3.98Å; F179-W188 HydrophobicContact CD1-CH2 3.98Å; F179-W188 AromaticContact CD1-CZ3 3.72Å; F179-W188 HydrophobicContact CD1-CZ3 3.72Å; F179-W188 HydrophobicContact CE1-CZ3 4.39Å; F179-W188 AromaticContact CG-CZ3 3.99Å; F179-W188 HydrophobicContact CG-CZ3 3.99Å; F179-I193 HydrophobicContact CE1-CD1 4.15Å; F179-I193 HydrophobicContact CE2-CD1 4.07Å; F179-I193 HydrophobicContact CZ-CD1 3.85Å
180	N	82	Confident	81.7	Confident	31 Å²	31	81.5 Å²	81.5	17%	0.166	38%	0.377	C	S	.	.	H	α-helix	trans	-56.1	-42.3	175.9	-64.7	-5.4	0	0	0	111.1	L176 L177 R182 Q183	L176-N180 PolarHBondContact O-N 2.92Å; L176-N180 PolarHBondContact O-OD1 3.45Å; L177-N180 PolarHBondContact O-N 2.78Å; N180-R182 PolarHBondContact O-N 2.87Å; N180-Q183 PolarHBondContact O-N 3.17Å
181	R	82.1	Confident	82.6	Confident	123 Å²	123	73.5 Å²	73.5	46%	0.464	35%	0.347	S	S	.	.	H	α-helix	trans	-62.3	-40	176.1	-169.1	-170.2	70.1	80.2	0	112.9	L177 E178 F179	L177-R181 WeakPolarHBondContact O-CB 3.33Å; L177-R181 PolarHBondContact O-N 3.44Å; E178-R181 IonicContact OE1-CZ 3.91Å; E178-R181 IonicContact OE1-NE 3.95Å; E178-R181 IonicContact OE1-NH2 2.82Å; E178-R181 PolarHBondContact OE1-NH2 3.3Å; E178-R181 IonicContact OE2-CZ 3.16Å; E178-R181 IonicContact OE2-NE 2.7Å; E178-R181 PolarHBondContact OE2-NE 3.48Å; E178-R181 IonicContact OE2-NH2 2.76Å; E178-R181 PolarHBondContact OE2-NH2 2.86Å; F179-R181 VanDerWaalsContact C-N 3.26Å; F179-R181 PolarHBondContact O-N 3.26Å
182	R	82.9	Confident	83.5	Confident	97 Å²	97	66.2 Å²	66.2	37%	0.366	32%	0.32	S	S	.	.	H	α-helix	trans	-74.4	-32.2	-179.2	-71.7	173.2	-171.7	-165.7	7	112.7	E178 F179 N180 R184 K185 W188	E178-R182 VanDerWaalsContact O-CG 3.26Å; E178-R182 WeakPolarHBondContact O-CG 3.22Å; E178-R182 PolarHBondContact O-N 3.26Å; E178-R182 VanDerWaalsContact O-N 3.12Å; E178-R182 IonicContact OE1-CZ 3.86Å; E178-R182 VanDerWaalsContact OE1-CZ 3.31Å; E178-R182 IonicContact OE1-NE 3.6Å; E178-R182 PolarHBondContact OE1-NE 3Å; E178-R182 IonicContact OE1-NH2 3.4Å; E178-R182 PolarHBondContact OE1-NH2 3.42Å; F179-R182 PolarHBondContact O-N 2.81Å; N180-R182 PolarHBondContact O-N 2.87Å; R182-R184 PolarHBondContact O-N 2.99Å; R182-K185 PolarHBondContact O-N 3.45Å; R182-W188 HydrophobicContact CB-CH2 3.76Å; R182-W188 HydrophobicContact CB-CZ2 3.59Å; R182-W188 HydrophobicContact CG-CH2 4.48Å
183	Q	80.6	Confident	84.4	Confident	31 Å²	31	64.3 Å²	64.3	15%	0.145	31%	0.313	C	S	.	.	H	α-helix	trans	-64.4	-26.3	178.7	-76.9	170.3	-42	0	0	112.8	F179 N180 K185 N186 W188 T390	F179-Q183 WeakPolarHBondContact O-CG 3.29Å; F179-Q183 PolarHBondContact O-N 3.47Å; N180-Q183 PolarHBondContact O-N 3.17Å; Q183-K185 PolarHBondContact O-N 2.95Å; Q183-K185 VanDerWaalsContact O-N 3.08Å; Q183-N186 CarbonylContact O-C 3.56Å; Q183-N186 PolarHBondContact O-N 3.11Å; Q183-W188 HydrophobicContact CG-CB 4.06Å; Q183-W188 HydrophobicContact CG-CD2 3.65Å; Q183-W188 HydrophobicContact CG-CE3 3.72Å; Q183-W188 HydrophobicContact CG-CG 3.81Å; Q183-W188 HydrophobicContact CG-CZ3 4.4Å; Q183-T390 HydrophobicContact CB-CG2 4.42Å
184	R	78.4	Confident	85.3	Confident	207 Å²	207	61.9 Å²	61.9	78%	0.781	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-25.7	172.8	-62.2	-175.7	-174.2	177.8	-1.1	114.2	R182	R182-R184 PolarHBondContact O-N 2.99Å
185	K	80.6	Confident	85.8	Confident	176 Å²	176	59.2 Å²	59.2	77%	0.765	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-29.6	-178.9	-67.6	-165.5	176.8	-162.2	0	114.4	R182 Q183	R182-K185 PolarHBondContact O-N 3.45Å; Q183-K185 PolarHBondContact O-N 2.95Å; Q183-K185 VanDerWaalsContact O-N 3.08Å
186	N	82.1	Confident	86.4	Confident	34 Å²	34	56.9 Å²	56.9	18%	0.182	26%	0.258	C	S	.	.	S	Bend	trans	-148.7	141.6	179.9	-42.8	-96.4	0	0	0	108.2	Q183 W188 K203 C208	Q183-N186 CarbonylContact O-C 3.56Å; Q183-N186 PolarHBondContact O-N 3.11Å; N186-W188 PolarHBondContact O-N 2.97Å; N186-K203 WeakPolarHBondContact OD1-CD 3.36Å; N186-K203 WeakPolarHBondContact OD1-CE 3.38Å; N186-C208 HydrophobicContact CB-CB 4.3Å
187	I	85.7	Confident	87	Confident	44 Å²	44	62.5 Å²	62.5	23%	0.226	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-73.6	130.5	178.5	-53.6	169.3	0	0	0	109	G206 Y207 C208 L386 M413	I187-G206 PolarHBondContact N-O 3.14Å; I187-Y207 HydrophobicContact CB-CD1 3.62Å; I187-Y207 HydrophobicContact CB-CE1 3.79Å; I187-Y207 HydrophobicContact CB-CG 4.25Å; I187-Y207 HydrophobicContact CD1-CD1 4.46Å; I187-Y207 HydrophobicContact CD1-CE1 4.01Å; I187-Y207 HydrophobicContact CD1-CE2 4.31Å; I187-Y207 HydrophobicContact CG2-CD1 3.58Å; I187-Y207 HydrophobicContact CG2-CE1 3.41Å; I187-Y207 VanDerWaalsContact CG2-CE1 3.41Å; I187-C208 PolarHBondContact O-N 2.92Å; I187-L386 HydrophobicContact CG2-CD2 4.49Å; I187-M413 HydrophobicContact CG2-CE 4.43Å
188	W	89.2	Confident	87.6	Confident	25 Å²	25	63 Å²	63	10%	0.095	28%	0.276	C	S	.	.			trans	-113.1	119.4	-178.8	-72.1	12.3	0	0	0	109	F179 R182 Q183 N186 H192 I193 L386	F179-W188 HydrophobicContact CB-CZ3 4.01Å; F179-W188 AromaticContact CD1-CH2 3.98Å; F179-W188 HydrophobicContact CD1-CH2 3.98Å; F179-W188 AromaticContact CD1-CZ3 3.72Å; F179-W188 HydrophobicContact CD1-CZ3 3.72Å; F179-W188 HydrophobicContact CE1-CZ3 4.39Å; F179-W188 AromaticContact CG-CZ3 3.99Å; F179-W188 HydrophobicContact CG-CZ3 3.99Å; R182-W188 HydrophobicContact CB-CH2 3.76Å; R182-W188 HydrophobicContact CB-CZ2 3.59Å; R182-W188 HydrophobicContact CG-CH2 4.48Å; Q183-W188 HydrophobicContact CG-CB 4.06Å; Q183-W188 HydrophobicContact CG-CD2 3.65Å; Q183-W188 HydrophobicContact CG-CE3 3.72Å; Q183-W188 HydrophobicContact CG-CG 3.81Å; Q183-W188 HydrophobicContact CG-CZ3 4.4Å; N186-W188 PolarHBondContact O-N 2.97Å; W188-H192 HydrophobicContact CB-CB 3.85Å; W188-H192 AromaticContact CD1-CE1 4Å; W188-H192 AromaticContact CD2-CD2 3.42Å; W188-H192 VanDerWaalsContact CD2-CD2 3.42Å; W188-H192 AromaticContact CD2-CG 4Å; W188-H192 AromaticContact CD2-NE2 3.65Å; W188-H192 AromaticContact CE2-CD2 3.94Å; W188-H192 AromaticContact CE2-NE2 3.65Å; W188-H192 AromaticContact CE3-CD2 3.55Å; W188-H192 HydrophobicContact CG-CB 4.37Å; W188-H192 AromaticContact CG-CD2 3.69Å; W188-H192 AromaticContact CG-CG 3.76Å; W188-H192 AromaticContact CG-NE2 3.97Å; W188-H192 AromaticContact NE1-NE2 3.95Å; W188-I193 HydrophobicContact CE3-CD1 4.35Å; W188-I193 HydrophobicContact CZ3-CD1 3.98Å; W188-L386 WeakPolarHBondContact O-CD1 3.25Å; W188-L386 WeakPolarHBondContact O-CD2 3.42Å; W188-L386 WeakPolarHBondContact O-CG 3.44Å
189	L	89.9	Confident	88.2	Confident	11 Å²	11	62 Å²	62	6%	0.058	27%	0.271	C	S	.	.			trans	-61.4	161.8	172.7	-52.9	-178.2	0	0	0	111.7	T191 H192 Y207 L209 M413	L189-T191 PolarHBondContact O-N 2.87Å; L189-T191 VanDerWaalsContact O-N 3.15Å; L189-H192 WeakPolarHBondContact O-CB 3.33Å; L189-H192 PolarHBondContact O-N 3.5Å; L189-Y207 HydrophobicContact CD2-CD1 3.96Å; L189-Y207 HydrophobicContact CD2-CE1 4.17Å; L189-L209 HydrophobicContact CD1-CD2 3.64Å; L189-L209 HydrophobicContact CG-CD2 4.07Å; L189-M413 HydrophobicContact CD2-CE 3.65Å; L189-M413 HydrophobicContact CD2-SD 3.77Å
190	E	88.7	Confident	88.8	Confident	42 Å²	42	63.4 Å²	63.4	20%	0.196	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-35.2	176.8	-64.8	-173.2	-166.3	0	0	112.8	H192 V416 K608 G609 G611 M612	E190-H192 VanDerWaalsContact C-N 3.28Å; E190-H192 PolarHBondContact O-N 2.98Å; E190-V416 WeakPolarHBondContact OE1-CG2 3.43Å; E190-K608 WeakPolarHBondContact OE1-CA 3.36Å; E190-G609 PolarHBondContact OE1-N 3.31Å; E190-G611 WeakPolarHBondContact OE2-CA 3.49Å; E190-G611 PolarHBondContact OE2-N 2.84Å; E190-M612 WeakPolarHBondContact O-CG 3.42Å
191	T	92	Very high	89.4	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.006	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	1.1	178.4	75.7	0	0	0	0	113.4	L189 I193 W194 H195 D233 Y418 M612 W615	L189-T191 PolarHBondContact O-N 2.87Å; L189-T191 VanDerWaalsContact O-N 3.15Å; T191-I193 VanDerWaalsContact C-N 3.3Å; T191-I193 PolarHBondContact O-N 3.05Å; T191-W194 WeakPolarHBondContact O-CA 3.3Å; T191-W194 WeakPolarHBondContact O-CB 3.46Å; T191-W194 PolarHBondContact O-N 2.8Å; T191-H195 PolarHBondContact O-N 3.44Å; T191-H195 PolarHBondContact O-ND1 3.32Å; T191-H195 PolarHBondContact OG1-CE1 2.88Å; T191-H195 PolarHBondContact OG1-ND1 3.11Å; T191-D233 WeakPolarHBondContact CB-OD2 3.3Å; T191-D233 VanDerWaalsContact CG2-OD2 3.32Å; T191-D233 WeakPolarHBondContact CG2-OD2 3.27Å; T191-D233 PolarHBondContact OG1-OD2 2.88Å; T191-Y418 HydrophobicContact CG2-CE1 4.09Å; T191-Y418 WeakPolarHBondContact CG2-OH 3.32Å; T191-M612 HydrophobicContact CG2-CG 4.48Å; T191-M612 HydrophobicContact CG2-SD 3.95Å; T191-W615 HydrophobicContact CG2-CD2 4.06Å; T191-W615 HydrophobicContact CG2-CE3 4.13Å; T191-W615 HydrophobicContact CG2-CG 4.27Å
192	H	91.8	Very high	90	Very high	15 Å²	15	61.4 Å²	61.4	7%	0.069	28%	0.278	C	S	.	.	H	α-helix	trans	-54	-44.5	-171.4	176.6	84.9	0	0	0	112.1	W188 L189 E190 W194 H195 A196 M201 C208	W188-H192 HydrophobicContact CB-CB 3.85Å; W188-H192 AromaticContact CD1-CE1 4Å; W188-H192 AromaticContact CD2-CD2 3.42Å; W188-H192 VanDerWaalsContact CD2-CD2 3.42Å; W188-H192 AromaticContact CD2-CG 4Å; W188-H192 AromaticContact CD2-NE2 3.65Å; W188-H192 AromaticContact CE2-CD2 3.94Å; W188-H192 AromaticContact CE2-NE2 3.65Å; W188-H192 AromaticContact CE3-CD2 3.55Å; W188-H192 HydrophobicContact CG-CB 4.37Å; W188-H192 AromaticContact CG-CD2 3.69Å; W188-H192 AromaticContact CG-CG 3.76Å; W188-H192 AromaticContact CG-NE2 3.97Å; W188-H192 AromaticContact NE1-NE2 3.95Å; L189-H192 WeakPolarHBondContact O-CB 3.33Å; L189-H192 PolarHBondContact O-N 3.5Å; E190-H192 VanDerWaalsContact C-N 3.28Å; E190-H192 PolarHBondContact O-N 2.98Å; H192-W194 VanDerWaalsContact C-N 3.28Å; H192-W194 PolarHBondContact O-N 2.98Å; H192-H195 PolarHBondContact O-N 3.34Å; H192-A196 VanDerWaalsContact O-CB 3.27Å; H192-A196 WeakPolarHBondContact O-CB 3.44Å; H192-A196 PolarHBondContact O-N 3.04Å; H192-M201 WeakPolarHBondContact ND1-CE 3.42Å; H192-C208 PolarHBondContact ND1-O 3.4Å; H192-C208 VanDerWaalsContact ND1-O 3.08Å
193	I	92.1	Very high	90.4	Very high	57 Å²	57	63.8 Å²	63.8	29%	0.292	29%	0.291	S	S	.	.	H	α-helix	trans	-64.9	-34	178.9	-59.5	-61.9	0	0	0	111.7	F179 W188 T191 K197	F179-I193 HydrophobicContact CE1-CD1 4.15Å; F179-I193 HydrophobicContact CE2-CD1 4.07Å; F179-I193 HydrophobicContact CZ-CD1 3.85Å; W188-I193 HydrophobicContact CE3-CD1 4.35Å; W188-I193 HydrophobicContact CZ3-CD1 3.98Å; T191-I193 VanDerWaalsContact C-N 3.3Å; T191-I193 PolarHBondContact O-N 3.05Å; I193-K197 HydrophobicContact CG2-CD 4.31Å; I193-K197 WeakPolarHBondContact O-CD 3.36Å; I193-K197 VanDerWaalsContact O-CG 3.23Å; I193-K197 WeakPolarHBondContact O-CG 3.14Å; I193-K197 PolarHBondContact O-N 3.5Å
194	W	94.9	Very high	90.9	Very high	31 Å²	31	64.5 Å²	64.5	12%	0.117	29%	0.294	C	S	.	.	H	α-helix	trans	-68.9	-43	176.6	-173.4	105.3	0	0	0	111	T191 H192 R198 F199 M612 W615 V619 V625	T191-W194 WeakPolarHBondContact O-CA 3.3Å; T191-W194 WeakPolarHBondContact O-CB 3.46Å; T191-W194 PolarHBondContact O-N 2.8Å; H192-W194 VanDerWaalsContact C-N 3.28Å; H192-W194 PolarHBondContact O-N 2.98Å; W194-R198 PolarHBondContact O-NH1 3.35Å; W194-F199 HydrophobicContact CH2-CE2 4.17Å; W194-F199 HydrophobicContact CZ3-CD2 4.26Å; W194-F199 AromaticContact CZ3-CE2 3.62Å; W194-F199 HydrophobicContact CZ3-CE2 3.62Å; W194-M612 HydrophobicContact CB-CE 4.11Å; W194-M612 HydrophobicContact CB-SD 3.92Å; W194-M612 HydrophobicContact CG-CE 4.34Å; W194-W615 AromaticContact CD2-NE1 3.41Å; W194-W615 AromaticContact CE2-NE1 3.52Å; W194-W615 HydrophobicContact CE3-CZ2 4.24Å; W194-W615 AromaticContact CE3-NE1 3.54Å; W194-W615 AromaticContact CG-NE1 3.94Å; W194-W615 AromaticContact CZ2-NE1 3.84Å; W194-W615 HydrophobicContact CZ3-CZ2 4.06Å; W194-W615 AromaticContact CZ3-NE1 3.84Å; W194-W615 AromaticContact NE1-NE1 3.97Å; W194-V619 HydrophobicContact CZ2-CG1 4.25Å; W194-V619 HydrophobicContact CZ2-CG2 4.21Å; W194-V625 HydrophobicContact CH2-CB 3.81Å; W194-V625 HydrophobicContact CH2-CG1 4.1Å; W194-V625 HydrophobicContact CH2-CG2 3.49Å; W194-V625 VanDerWaalsContact CH2-CG2 3.49Å; W194-V625 HydrophobicContact CZ2-CG2 4.25Å; W194-V625 HydrophobicContact CZ3-CB 4.09Å; W194-V625 HydrophobicContact CZ3-CG1 3.85Å; W194-V625 HydrophobicContact CZ3-CG2 4.04Å
195	H	95.4	Very high	91.4	Very high	11 Å²	11	56.9 Å²	56.9	5%	0.051	27%	0.265	C	S	.	.	H	α-helix	trans	-67.7	-50	176.9	-76.8	97.2	0	0	0	112.1	T191 H192 K197 R198 F199 M201 W615	T191-H195 PolarHBondContact O-N 3.44Å; T191-H195 PolarHBondContact O-ND1 3.32Å; T191-H195 PolarHBondContact OG1-CE1 2.88Å; T191-H195 PolarHBondContact OG1-ND1 3.11Å; H192-H195 PolarHBondContact O-N 3.34Å; H195-K197 PolarHBondContact O-N 3.11Å; H195-R198 CarbonylContact O-C 3.5Å; H195-R198 PolarHBondContact O-N 2.94Å; H195-F199 AromaticContact CD2-CD2 3.75Å; H195-F199 AromaticContact CD2-CE2 3.94Å; H195-F199 WeakPolarHBondContact O-CB 3.34Å; H195-F199 PolarHBondContact O-N 3.03Å; H195-M201 HydrophobicContact CB-CE 4.21Å; H195-M201 HydrophobicContact CB-SD 4.01Å; H195-W615 AromaticContact CE1-CH2 3.69Å; H195-W615 AromaticContact CE1-CZ2 3.37Å; H195-W615 WeakPolarHBondContact CE1-CZ2 3.36Å; H195-W615 AromaticContact NE2-CH2 3.94Å; H195-W615 AromaticContact NE2-CZ2 3.59Å
196	A	94.9	Very high	91.7	Very high	47 Å²	47	50.9 Å²	50.9	39%	0.388	25%	0.253	S	S	.	.	H	α-helix	trans	-58.1	-25.2	179.6	0	0	0	0	0	113.6	H192 M201	H192-A196 VanDerWaalsContact O-CB 3.27Å; H192-A196 WeakPolarHBondContact O-CB 3.44Å; H192-A196 PolarHBondContact O-N 3.04Å; A196-M201 HydrophobicContact CB-CG 3.95Å; A196-M201 HydrophobicContact CB-SD 4.24Å
197	K	94.2	Very high	92.1	Very high	156 Å²	156	49.9 Å²	49.9	68%	0.678	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-17.2	174.3	-74.9	171.9	-177	170.9	0	114	I193 H195	I193-K197 HydrophobicContact CG2-CD 4.31Å; I193-K197 WeakPolarHBondContact O-CD 3.36Å; I193-K197 VanDerWaalsContact O-CG 3.23Å; I193-K197 WeakPolarHBondContact O-CG 3.14Å; I193-K197 PolarHBondContact O-N 3.5Å; H195-K197 PolarHBondContact O-N 3.11Å
198	R	93.9	Very high	92.4	Very high	104 Å²	104	48.7 Å²	48.7	39%	0.392	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.4	-19.9	-166.3	-68.4	172.2	-178.5	81	-3.9	114.3	W194 H195 T214	W194-R198 PolarHBondContact O-NH1 3.35Å; H195-R198 CarbonylContact O-C 3.5Å; H195-R198 PolarHBondContact O-N 2.94Å; R198-T214 WeakPolarHBondContact O-CB 3.37Å; R198-T214 WeakPolarHBondContact O-CG2 3.43Å; R198-T214 PolarHBondContact O-N 3.35Å; R198-T214 PolarHBondContact O-OG1 3.33Å
199	F	96.2	Very high	92.6	Very high	10 Å²	10	47.9 Å²	47.9	4%	0.044	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	156.9	-174.9	-71.3	-107.5	0	0	0	110.8	W194 H195 M201 R212 P213 V625	W194-F199 HydrophobicContact CH2-CE2 4.17Å; W194-F199 HydrophobicContact CZ3-CD2 4.26Å; W194-F199 AromaticContact CZ3-CE2 3.62Å; W194-F199 HydrophobicContact CZ3-CE2 3.62Å; H195-F199 AromaticContact CD2-CD2 3.75Å; H195-F199 AromaticContact CD2-CE2 3.94Å; H195-F199 WeakPolarHBondContact O-CB 3.34Å; H195-F199 PolarHBondContact O-N 3.03Å; F199-M201 HydrophobicContact CB-SD 4.38Å; F199-R212 CarbonylContact C-O 3.55Å; F199-R212 WeakPolarHBondContact CA-O 3.33Å; F199-R212 VanDerWaalsContact CD1-C 3.45Å; F199-P213 HydrophobicContact CD1-CB 3.94Å; F199-P213 HydrophobicContact CD1-CG 4.46Å; F199-P213 VanDerWaalsContact CD1-N 3.31Å; F199-P213 HydrophobicContact CE1-CB 3.66Å; F199-P213 HydrophobicContact CE1-CG 3.98Å; F199-P213 HydrophobicContact CE2-CB 4.4Å; F199-P213 HydrophobicContact CG-CB 4.41Å; F199-P213 HydrophobicContact CZ-CB 3.9Å; F199-P213 HydrophobicContact CZ-CG 4.47Å; F199-V625 HydrophobicContact CE2-CG1 4.16Å; F199-V625 HydrophobicContact CZ-CB 4.11Å; F199-V625 HydrophobicContact CZ-CG1 3.77Å
200	H	96.4	Very high	92.9	Very high	78 Å²	78	47.8 Å²	47.8	36%	0.361	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.4	164.3	-64.5	-84.1	0	0	0	108.4	V211 R212	H200-V211 PolarHBondContact O-N 2.77Å; H200-R212 HydrophobicContact CB-CG 3.95Å; H200-R212 PolarHBondContact N-O 2.94Å
201	M	95.3	Very high	93.2	Very high	53 Å²	53	47.3 Å²	47.3	26%	0.261	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	140.4	-178.1	-54.6	-56.3	-71.6	0	0	110.4	H192 H195 A196 F199 C208 L209	H192-M201 WeakPolarHBondContact ND1-CE 3.42Å; H195-M201 HydrophobicContact CB-CE 4.21Å; H195-M201 HydrophobicContact CB-SD 4.01Å; A196-M201 HydrophobicContact CB-CG 3.95Å; A196-M201 HydrophobicContact CB-SD 4.24Å; F199-M201 HydrophobicContact CB-SD 4.38Å; M201-C208 WeakPolarHBondContact CE-O 3.23Å; M201-L209 CarbonylContact C-O 3.51Å; M201-L209 VanDerWaalsContact CA-O 3.29Å; M201-L209 WeakPolarHBondContact CA-O 3.47Å
202	V	94.1	Very high	93.2	Very high	60 Å²	60	54.3 Å²	54.3	36%	0.364	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	145.8	175.1	179.8	0	0	0	0	108.6	K204 L209 V211	V202-K204 HydrophobicContact CG1-CG 4.04Å; V202-L209 PolarHBondContact N-O 3.44Å; V202-L209 PolarHBondContact O-N 3.39Å; V202-V211 HydrophobicContact CB-CG2 3.56Å; V202-V211 HydrophobicContact CG2-CB 4.16Å; V202-V211 HydrophobicContact CG2-CG2 3.38Å
203	K	93	Very high	93.4	Very high	147 Å²	147	54.3 Å²	54.3	64%	0.639	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	118.1	174.4	-61	175.4	-179.6	-179.5	0	108.4	N186 Y207	N186-K203 WeakPolarHBondContact OD1-CD 3.36Å; N186-K203 WeakPolarHBondContact OD1-CE 3.38Å; K203-Y207 CarbonylContact C-O 3.59Å; K203-Y207 VanDerWaalsContact CA-O 3.28Å; K203-Y207 WeakPolarHBondContact CA-O 3.23Å
204	K	89.9	Confident	93.4	Very high	46 Å²	46	56 Å²	56	20%	0.2	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	137.4	175.9	-70.4	-154.6	169.5	-142.8	0	109.5	V202 G206 Y207	V202-K204 HydrophobicContact CG1-CG 4.04Å; K204-G206 PolarHBondContact O-N 2.68Å; K204-G206 VanDerWaalsContact O-N 3.15Å; K204-Y207 PolarHBondContact N-O 2.93Å; K204-Y207 WeakPolarHBondContact O-CA 3.47Å; K204-Y207 PolarHBondContact O-N 3.08Å; K204-Y207 VanDerWaalsContact O-O 3.12Å
205	W	88.6	Confident	93.2	Very high	46 Å²	46	59.2 Å²	59.2	17%	0.174	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	31.7	174.6	-37.9	-59.3	0	0	0	114.5	Y207 L209 Y236 H316 P317 L628 P644	W205-Y207 VanDerWaalsContact C-N 3.28Å; W205-Y207 HydrophobicContact CB-CD2 4.5Å; W205-Y207 WeakPolarHBondContact O-CD2 3.47Å; W205-Y207 PolarHBondContact O-N 3.45Å; W205-L209 HydrophobicContact CE3-CD1 3.91Å; W205-L209 HydrophobicContact CZ3-CD1 3.8Å; W205-Y236 HydrophobicContact CZ3-CD2 4.46Å; W205-Y236 HydrophobicContact CZ3-CE2 4.08Å; W205-H316 AromaticContact CD2-CE1 3.44Å; W205-H316 VanDerWaalsContact CD2-CE1 3.44Å; W205-H316 AromaticContact CD2-NE2 3.81Å; W205-H316 AromaticContact CE2-CE1 3.4Å; W205-H316 AromaticContact CE2-NE2 3.82Å; W205-H316 AromaticContact CE3-CE1 3.75Å; W205-H316 AromaticContact CE3-NE2 3.64Å; W205-H316 AromaticContact CG-CE1 3.93Å; W205-H316 AromaticContact CH2-CE1 3.94Å; W205-H316 AromaticContact CH2-NE2 3.48Å; W205-H316 WeakPolarHBondContact CH2-NE2 3.4Å; W205-H316 AromaticContact CZ2-CE1 3.66Å; W205-H316 AromaticContact CZ2-NE2 3.67Å; W205-H316 AromaticContact CZ3-CE1 3.99Å; W205-H316 AromaticContact CZ3-NE2 3.47Å; W205-H316 WeakPolarHBondContact CZ3-NE2 3.36Å; W205-H316 AromaticContact NE1-CE1 3.82Å; W205-P317 HydrophobicContact CB-CB 3.94Å; W205-L628 HydrophobicContact CZ3-CD1 4.46Å; W205-L628 HydrophobicContact CZ3-CD2 4.41Å; W205-P644 HydrophobicContact CZ2-CG 4.47Å
206	G	86.9	Confident	93	Very high	51 Å²	51	69 Å²	69	53%	0.526	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-8	-174.6	0	0	0	0	0	115.6	I187 K204	I187-G206 PolarHBondContact N-O 3.14Å; K204-G206 PolarHBondContact O-N 2.68Å; K204-G206 VanDerWaalsContact O-N 3.15Å
207	Y	90.4	Very high	92.7	Very high	12 Å²	12	67.1 Å²	67.1	5%	0.047	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	156	179.2	-63.6	-94.6	0	0	0	112.4	I187 L189 K203 K204 W205 P317 M413	I187-Y207 HydrophobicContact CB-CD1 3.62Å; I187-Y207 HydrophobicContact CB-CE1 3.79Å; I187-Y207 HydrophobicContact CB-CG 4.25Å; I187-Y207 HydrophobicContact CD1-CD1 4.46Å; I187-Y207 HydrophobicContact CD1-CE1 4.01Å; I187-Y207 HydrophobicContact CD1-CE2 4.31Å; I187-Y207 HydrophobicContact CG2-CD1 3.58Å; I187-Y207 HydrophobicContact CG2-CE1 3.41Å; I187-Y207 VanDerWaalsContact CG2-CE1 3.41Å; L189-Y207 HydrophobicContact CD2-CD1 3.96Å; L189-Y207 HydrophobicContact CD2-CE1 4.17Å; K203-Y207 CarbonylContact C-O 3.59Å; K203-Y207 VanDerWaalsContact CA-O 3.28Å; K203-Y207 WeakPolarHBondContact CA-O 3.23Å; K204-Y207 PolarHBondContact N-O 2.93Å; K204-Y207 WeakPolarHBondContact O-CA 3.47Å; K204-Y207 PolarHBondContact O-N 3.08Å; K204-Y207 VanDerWaalsContact O-O 3.12Å; W205-Y207 VanDerWaalsContact C-N 3.28Å; W205-Y207 HydrophobicContact CB-CD2 4.5Å; W205-Y207 WeakPolarHBondContact O-CD2 3.47Å; W205-Y207 PolarHBondContact O-N 3.45Å; Y207-P317 HydrophobicContact CD2-CB 4.47Å; Y207-P317 HydrophobicContact CD2-CG 4.23Å; Y207-P317 HydrophobicContact CE2-CB 3.89Å; Y207-P317 HydrophobicContact CE2-CG 3.66Å; Y207-M413 HydrophobicContact CE1-SD 3.89Å
208	C	92.4	Very high	92.6	Very high	19 Å²	19	63 Å²	63	13%	0.128	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	99.9	169.1	-166	0	0	0	0	110.7	N186 I187 H192 M201	N186-C208 HydrophobicContact CB-CB 4.3Å; I187-C208 PolarHBondContact O-N 2.92Å; H192-C208 PolarHBondContact ND1-O 3.4Å; H192-C208 VanDerWaalsContact ND1-O 3.08Å; M201-C208 WeakPolarHBondContact CE-O 3.23Å
209	L	94.3	Very high	92.6	Very high	8 Å²	8	66.1 Å²	66.1	4%	0.042	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	151.9	-167.4	-59.2	177.8	0	0	0	112.6	L189 M201 V202 W205 Y236 L628	L189-L209 HydrophobicContact CD1-CD2 3.64Å; L189-L209 HydrophobicContact CG-CD2 4.07Å; M201-L209 CarbonylContact C-O 3.51Å; M201-L209 VanDerWaalsContact CA-O 3.29Å; M201-L209 WeakPolarHBondContact CA-O 3.47Å; V202-L209 PolarHBondContact N-O 3.44Å; V202-L209 PolarHBondContact O-N 3.39Å; W205-L209 HydrophobicContact CE3-CD1 3.91Å; W205-L209 HydrophobicContact CZ3-CD1 3.8Å; L209-Y236 HydrophobicContact CD1-CD1 4.14Å; L209-Y236 HydrophobicContact CD1-CG 4.21Å; L209-Y236 HydrophobicContact CD2-CD1 4.25Å; L209-L628 HydrophobicContact CB-CD1 3.73Å; L209-L628 HydrophobicContact CB-CG 4.36Å; L209-L628 HydrophobicContact CD1-CD1 3.92Å; L209-L628 HydrophobicContact CD1-CD2 4.3Å; L209-L628 HydrophobicContact CG-CD1 4.48Å
210	G	95.3	Very high	92.4	Very high	9 Å²	9	67.7 Å²	67.7	9%	0.093	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	116.4	176.5	0	0	0	0	0	111.8	G627 L628	G210-G627 CarbonylContact O-C 3.59Å; G210-G627 WeakPolarHBondContact O-CA 3.2Å; G210-L628 PolarHBondContact O-N 3.19Å
211	V	94.4	Very high	92.2	Very high	33 Å²	33	64 Å²	64	20%	0.2	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-58.1	-178.1	174	0	0	0	0	111.9	H200 V202 G627 L628 H629	H200-V211 PolarHBondContact O-N 2.77Å; V202-V211 HydrophobicContact CB-CG2 3.56Å; V202-V211 HydrophobicContact CG2-CB 4.16Å; V202-V211 HydrophobicContact CG2-CG2 3.38Å; V211-G627 CarbonylContact O-C 3.17Å; V211-L628 HydrophobicContact CG2-CD1 4.14Å; V211-L628 PolarHBondContact O-N 3.43Å; V211-H629 HydrophobicContact CG1-CB 4.18Å; V211-H629 WeakPolarHBondContact O-CB 3.32Å; V211-H629 PolarHBondContact O-N 3.4Å; V211-H629 VanDerWaalsContact O-N 3.12Å
212	R	93.8	Very high	92.1	Very high	147 Å²	147	62.9 Å²	62.9	56%	0.555	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.1	-176.2	52.8	175.6	166.6	135.2	-4.9	110.5	F199 H200	F199-R212 CarbonylContact C-O 3.55Å; F199-R212 WeakPolarHBondContact CA-O 3.33Å; F199-R212 VanDerWaalsContact CD1-C 3.45Å; H200-R212 HydrophobicContact CB-CG 3.95Å; H200-R212 PolarHBondContact N-O 2.94Å
213	P	94.3	Very high	92	Very high	16 Å²	16	68.2 Å²	68.2	10%	0.104	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	154.1	173.5	24.2	-27.1	0	0	0	110.6	F199 Y215 C217	F199-P213 HydrophobicContact CD1-CB 3.94Å; F199-P213 HydrophobicContact CD1-CG 4.46Å; F199-P213 VanDerWaalsContact CD1-N 3.31Å; F199-P213 HydrophobicContact CE1-CB 3.66Å; F199-P213 HydrophobicContact CE1-CG 3.98Å; F199-P213 HydrophobicContact CE2-CB 4.4Å; F199-P213 HydrophobicContact CG-CB 4.41Å; F199-P213 HydrophobicContact CZ-CB 3.9Å; F199-P213 HydrophobicContact CZ-CG 4.47Å; P213-Y215 HydrophobicContact CB-CD1 3.78Å; P213-Y215 HydrophobicContact CB-CE1 3.61Å; P213-Y215 HydrophobicContact CG-CE1 4.26Å; P213-Y215 PolarHBondContact O-N 3.19Å; P213-C217 HydrophobicContact CG-CB 4.14Å; P213-C217 WeakPolarHBondContact CG-SG 3.35Å
214	T	92.8	Very high	92	Very high	91 Å²	91	61.6 Å²	61.6	56%	0.558	29%	0.287	S	S	*	.	S	Bend	trans	-68.6	-21.3	178.4	50.6	0	0	0	0	113.2	R198	R198-T214 WeakPolarHBondContact O-CB 3.37Å; R198-T214 WeakPolarHBondContact O-CG2 3.43Å; R198-T214 PolarHBondContact O-N 3.35Å; R198-T214 PolarHBondContact O-OG1 3.33Å
215	Y	90.3	Very high	92.1	Very high	99 Å²	99	59.4 Å²	59.4	39%	0.388	28%	0.278	S	S	.	.	S	Bend	trans	-98.1	147.6	174.5	72.6	-79.6	0	0	0	110.6	P213 C217	P213-Y215 HydrophobicContact CB-CD1 3.78Å; P213-Y215 HydrophobicContact CB-CE1 3.61Å; P213-Y215 HydrophobicContact CG-CE1 4.26Å; P213-Y215 PolarHBondContact O-N 3.19Å; Y215-C217 HydrophobicContact CD2-CB 3.68Å; Y215-C217 HydrophobicContact CE2-CB 3.17Å; Y215-C217 PolarHBondContact O-N 3.23Å
216	K	91.3	Very high	92.2	Very high	217 Å²	217	59.4 Å²	59.4	94%	0.943	29%	0.285	S	S	*	.			trans	-69.3	112.2	177.5	-61.7	-176.3	-179.8	-175.5	0	109.7
217	C	89.6	Confident	92.3	Very high	8 Å²	8	60.2 Å²	60.2	5%	0.054	28%	0.282	C	S	.	.			trans	-134.4	4	-170.5	80.3	0	0	0	0	115.5	P213 Y215 R219 P220 C221	P213-C217 HydrophobicContact CG-CB 4.14Å; P213-C217 WeakPolarHBondContact CG-SG 3.35Å; Y215-C217 HydrophobicContact CD2-CB 3.68Å; Y215-C217 HydrophobicContact CE2-CB 3.17Å; Y215-C217 PolarHBondContact O-N 3.23Å; C217-R219 PolarHBondContact O-N 2.72Å; C217-P220 VanDerWaalsContact O-CD 3.26Å; C217-P220 WeakPolarHBondContact O-CD 3.26Å; C217-C221 WeakPolarHBondContact O-CB 3.46Å; C217-C221 PolarHBondContact O-N 3.35Å; C217-C221 PolarHBondContact O-SG 3.17Å; C217-C221 VanDerWaalsContact O-SG 3.34Å; C217-C221 PolarHBondContact SG-SG 3.37Å
218	Y	91.3	Very high	92.4	Very high	68 Å²	68	60 Å²	60	27%	0.267	28%	0.282	S	S	.	.	H	α-helix	trans	-51.6	-59	-173.7	176.1	-113.4	0	0	0	112.8	C221 Y222 M630 K633 L909	Y218-C221 PolarHBondContact O-N 3.46Å; Y218-Y222 PolarHBondContact O-N 3.3Å; Y218-M630 HydrophobicContact CD2-CE 4.42Å; Y218-M630 HydrophobicContact CD2-SD 3.91Å; Y218-K633 HydrophobicContact CE2-CB 4.43Å; Y218-K633 HydrophobicContact CE2-CD 3.94Å; Y218-K633 HydrophobicContact CE2-CG 3.94Å; Y218-L909 HydrophobicContact CD1-CD1 4.24Å; Y218-L909 HydrophobicContact CE1-CD1 3.61Å; Y218-L909 HydrophobicContact CE1-CG 4.1Å
219	R	93.3	Very high	92.4	Very high	170 Å²	170	59.1 Å²	59.1	64%	0.642	28%	0.276	S	S	*	.	H	α-helix	trans	-62.3	-45.2	176.9	-63.6	-179.3	179.9	-174.9	-1.5	113.4	C217 C221 Y222 R223 L909	C217-R219 PolarHBondContact O-N 2.72Å; R219-C221 VanDerWaalsContact C-N 3.3Å; R219-C221 PolarHBondContact O-N 2.82Å; R219-Y222 PolarHBondContact O-N 3.3Å; R219-R223 WeakPolarHBondContact O-CG 3.36Å; R219-R223 PolarHBondContact O-N 3.22Å; R219-L909 HydrophobicContact CG-CD1 4.21Å
220	P	92.4	Very high	92.5	Very high	44 Å²	44	58.7 Å²	58.7	29%	0.286	27%	0.274	S	S	.	.	H	α-helix	trans	-58.9	-34	172.9	-28.5	33.4	0	0	0	115.4	C217 A224	C217-P220 VanDerWaalsContact O-CD 3.26Å; C217-P220 WeakPolarHBondContact O-CD 3.26Å; P220-A224 WeakPolarHBondContact O-CB 3.3Å; P220-A224 PolarHBondContact O-N 3.24Å
221	C	93.2	Very high	92.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-70.1	-45.8	176.1	-75.4	0	0	0	0	110.8	C217 Y218 R219 R223 A224 M225 L230 M630	C217-C221 WeakPolarHBondContact O-CB 3.46Å; C217-C221 PolarHBondContact O-N 3.35Å; C217-C221 PolarHBondContact O-SG 3.17Å; C217-C221 VanDerWaalsContact O-SG 3.34Å; C217-C221 PolarHBondContact SG-SG 3.37Å; Y218-C221 PolarHBondContact O-N 3.46Å; R219-C221 VanDerWaalsContact C-N 3.3Å; R219-C221 PolarHBondContact O-N 2.82Å; C221-R223 VanDerWaalsContact C-N 3.34Å; C221-R223 PolarHBondContact O-N 3.25Å; C221-A224 WeakPolarHBondContact O-CB 3.2Å; C221-A224 PolarHBondContact O-N 2.96Å; C221-A224 VanDerWaalsContact O-N 3.09Å; C221-M225 WeakPolarHBondContact O-CG 3.43Å; C221-M225 PolarHBondContact O-N 2.94Å; C221-L230 HydrophobicContact CB-CD1 4.02Å; C221-M630 HydrophobicContact CB-CE 3.66Å; C221-M630 HydrophobicContact CB-CG 4.28Å; C221-M630 HydrophobicContact CB-SD 3.92Å
222	Y	93	Very high	92.6	Very high	29 Å²	29	56.9 Å²	56.9	11%	0.114	26%	0.261	C	S	.	.	H	α-helix	trans	-57.2	-46.1	173.2	178.5	-93.3	0	0	0	112.2	Y218 R219 A224 M225 S226 W598 L909 S910	Y218-Y222 PolarHBondContact O-N 3.3Å; R219-Y222 PolarHBondContact O-N 3.3Å; Y222-A224 VanDerWaalsContact C-N 3.3Å; Y222-A224 PolarHBondContact O-N 2.83Å; Y222-M225 PolarHBondContact O-N 2.86Å; Y222-S226 PolarHBondContact O-N 3.17Å; Y222-S226 PolarHBondContact O-OG 3.35Å; Y222-W598 HydrophobicContact CD2-CZ2 4.05Å; Y222-W598 AromaticContact CE2-CZ2 3.61Å; Y222-W598 HydrophobicContact CE2-CZ2 3.61Å; Y222-L909 HydrophobicContact CD1-CB 3.82Å; Y222-L909 HydrophobicContact CD1-CD1 3.92Å; Y222-L909 HydrophobicContact CD2-CB 3.94Å; Y222-L909 HydrophobicContact CD2-CD1 4.24Å; Y222-L909 HydrophobicContact CE1-CB 3.76Å; Y222-L909 HydrophobicContact CE2-CB 3.89Å; Y222-L909 HydrophobicContact CG-CB 3.93Å; Y222-L909 HydrophobicContact CG-CD1 3.68Å; Y222-L909 HydrophobicContact CG-CG 4.46Å; Y222-S910 VanDerWaalsContact CE2-OG 3.3Å; Y222-S910 WeakPolarHBondContact CE2-OG 3.47Å; Y222-S910 WeakPolarHBondContact OH-CA 3.42Å; Y222-S910 WeakPolarHBondContact OH-CB 3.34Å; Y222-S910 PolarHBondContact OH-N 3.33Å; Y222-S910 PolarHBondContact OH-OG 3.44Å
223	R	92.8	Very high	92.7	Very high	173 Å²	173	50.8 Å²	50.8	65%	0.653	24%	0.239	S	C	*	.	H	α-helix	trans	-59.5	-41.1	174.3	-72.1	179.8	-174.3	-171.9	-0.5	111.9	R219 C221 S226 S227	R219-R223 WeakPolarHBondContact O-CG 3.36Å; R219-R223 PolarHBondContact O-N 3.22Å; C221-R223 VanDerWaalsContact C-N 3.34Å; C221-R223 PolarHBondContact O-N 3.25Å; R223-S226 PolarHBondContact O-N 2.84Å; R223-S227 PolarHBondContact O-N 3.37Å; R223-S227 PolarHBondContact O-OG 3.13Å
224	A	92.6	Very high	92.7	Very high	7 Å²	7	50.2 Å²	50.2	6%	0.058	24%	0.235	C	C	.	.	H	α-helix	trans	-65.7	-38.3	177.9	0	0	0	0	0	112.4	P220 C221 Y222 S226 H228 C229 R624	P220-A224 WeakPolarHBondContact O-CB 3.3Å; P220-A224 PolarHBondContact O-N 3.24Å; C221-A224 WeakPolarHBondContact O-CB 3.2Å; C221-A224 PolarHBondContact O-N 2.96Å; C221-A224 VanDerWaalsContact O-N 3.09Å; Y222-A224 VanDerWaalsContact C-N 3.3Å; Y222-A224 PolarHBondContact O-N 2.83Å; A224-S226 VanDerWaalsContact C-N 3.29Å; A224-S226 PolarHBondContact O-N 3.34Å; A224-H228 CarbonylContact O-C 3.6Å; A224-H228 WeakPolarHBondContact O-CA 3.36Å; A224-H228 PolarHBondContact O-N 2.97Å; A224-C229 PolarHBondContact O-N 2.85Å; A224-R624 HydrophobicContact CB-CB 4.35Å; A224-R624 HydrophobicContact CB-CG 4.32Å
225	M	92.3	Very high	92.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.4	-33.4	173.8	-64.8	164.4	66.7	0	0	112.4	C221 Y222 L230 I421 G422 P423 W598 M630 H634	C221-M225 WeakPolarHBondContact O-CG 3.43Å; C221-M225 PolarHBondContact O-N 2.94Å; Y222-M225 PolarHBondContact O-N 2.86Å; M225-L230 HydrophobicContact CG-CB 3.76Å; M225-L230 HydrophobicContact CG-CD2 3.43Å; M225-L230 VanDerWaalsContact CG-CD2 3.43Å; M225-L230 HydrophobicContact CG-CG 4.18Å; M225-L230 HydrophobicContact SD-CD2 3.59Å; M225-L230 VanDerWaalsContact SD-CD2 3.59Å; M225-I421 HydrophobicContact CB-CG2 4.46Å; M225-I421 HydrophobicContact CE-CG2 4.21Å; M225-I421 HydrophobicContact CG-CG2 4.28Å; M225-G422 VanDerWaalsContact O-CA 3.25Å; M225-G422 WeakPolarHBondContact O-CA 3.29Å; M225-P423 WeakPolarHBondContact O-CD 3.32Å; M225-W598 HydrophobicContact CB-CZ2 4.39Å; M225-W598 HydrophobicContact CE-CH2 3.38Å; M225-W598 HydrophobicContact CE-CZ2 3.77Å; M225-W598 HydrophobicContact CE-CZ3 4.22Å; M225-M630 HydrophobicContact SD-CE 4.21Å; M225-H634 HydrophobicContact CE-CB 3.48Å; M225-H634 VanDerWaalsContact CE-CB 3.48Å; M225-H634 WeakPolarHBondContact CE-ND1 3.33Å
226	S	90.5	Very high	92.8	Very high	46 Å²	46	41.5 Å²	41.5	32%	0.322	19%	0.192	S	C	.	.	H	α-helix	trans	-84.3	-32.7	-176.4	-53.5	0	0	0	0	113.4	Y222 R223 A224 P423 W598	Y222-S226 PolarHBondContact O-N 3.17Å; Y222-S226 PolarHBondContact O-OG 3.35Å; R223-S226 PolarHBondContact O-N 2.84Å; A224-S226 VanDerWaalsContact C-N 3.29Å; A224-S226 PolarHBondContact O-N 3.34Å; S226-P423 WeakPolarHBondContact O-CG 3.38Å; S226-W598 PolarHBondContact OG-NE1 2.64Å
227	S	89.3	Confident	92.9	Very high	68 Å²	68	33 Å²	33	48%	0.476	16%	0.155	S	C	.	.	H	α-helix	trans	-128.8	-10.9	-172.6	66.9	0	0	0	0	116.4	R223 Q424	R223-S227 PolarHBondContact O-N 3.37Å; R223-S227 PolarHBondContact O-OG 3.13Å; S227-Q424 VanDerWaalsContact O-CD 3.26Å; S227-Q424 PolarHBondContact O-OE1 3.31Å
228	H	91.8	Very high	93.1	Very high	8 Å²	8	32.8 Å²	32.8	4%	0.037	15%	0.153	C	C	.	.	S	Bend	trans	-134	-116.2	178.9	-178.4	-103.1	0	0	0	109.1	A224 G422 P423 Q424 K504	A224-H228 CarbonylContact O-C 3.6Å; A224-H228 WeakPolarHBondContact O-CA 3.36Å; A224-H228 PolarHBondContact O-N 2.97Å; H228-G422 CarbonylContact O-C 3.55Å; H228-G422 WeakPolarHBondContact O-CA 3.18Å; H228-P423 WeakPolarHBondContact O-CD 3.46Å; H228-Q424 PolarHBondContact CD2-OE1 3.28Å; H228-Q424 PolarHBondContact O-N 3.37Å; H228-Q424 VanDerWaalsContact O-N 3.08Å; H228-K504 WeakPolarHBondContact CD2-CE 3.47Å; H228-K504 WeakPolarHBondContact NE2-CG 3.35Å
229	C	93.1	Very high	93.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.14	C	C	.	.			trans	-151.7	140.7	-178.9	-175.8	0	0	0	0	109.8	A224 I421 V428 V623	A224-C229 PolarHBondContact O-N 2.85Å; C229-I421 CarbonylContact C-O 3.59Å; C229-I421 WeakPolarHBondContact CA-O 3.4Å; C229-V428 HydrophobicContact CB-CG2 3.9Å; C229-V623 HydrophobicContact CB-CG1 4.37Å; C229-V623 HydrophobicContact CB-CG2 4.37Å
230	L	95.5	Very high	93.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.1	171	-178.2	79.1	0	0	0	108.6	C221 M225 L420 I421 R624 A626	C221-L230 HydrophobicContact CB-CD1 4.02Å; M225-L230 HydrophobicContact CG-CB 3.76Å; M225-L230 HydrophobicContact CG-CD2 3.43Å; M225-L230 VanDerWaalsContact CG-CD2 3.43Å; M225-L230 HydrophobicContact CG-CG 4.18Å; M225-L230 HydrophobicContact SD-CD2 3.59Å; M225-L230 VanDerWaalsContact SD-CD2 3.59Å; L230-L420 CarbonylContact O-C 3.58Å; L230-L420 WeakPolarHBondContact O-CA 3.16Å; L230-I421 HydrophobicContact CB-CB 4.43Å; L230-I421 PolarHBondContact N-O 3.09Å; L230-I421 PolarHBondContact O-N 3.28Å; L230-R624 CarbonylContact C-O 3.38Å; L230-R624 WeakPolarHBondContact CA-O 3.39Å; L230-R624 HydrophobicContact CD1-CB 4.01Å; L230-R624 WeakPolarHBondContact CD1-O 3.43Å; L230-A626 HydrophobicContact CD1-CB 3.76Å; L230-A626 HydrophobicContact CD2-CB 3.57Å; L230-A626 HydrophobicContact CG-CB 3.74Å
231	L	96.1	Very high	93.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.9	179	177.9	66.1	0	0	0	110.4	R419 L420 W615 L618 V619 V623 R624 V625 A626	L231-R419 CarbonylContact C-O 3.59Å; L231-R419 WeakPolarHBondContact CA-O 3.17Å; L231-L420 HydrophobicContact CD1-CD1 4.03Å; L231-L420 HydrophobicContact CD1-CG 3.95Å; L231-W615 HydrophobicContact CD1-CE3 4.48Å; L231-W615 HydrophobicContact CD1-CZ3 4.04Å; L231-W615 HydrophobicContact CD2-CD2 3.89Å; L231-W615 HydrophobicContact CD2-CE3 3.59Å; L231-W615 HydrophobicContact CD2-CH2 3.8Å; L231-W615 HydrophobicContact CD2-CZ2 4.07Å; L231-W615 HydrophobicContact CD2-CZ3 3.55Å; L231-W615 HydrophobicContact CG-CE3 4.11Å; L231-W615 HydrophobicContact CG-CH2 3.74Å; L231-W615 HydrophobicContact CG-CZ2 4.43Å; L231-W615 HydrophobicContact CG-CZ3 3.55Å; L231-L618 HydrophobicContact CD1-CD1 4.26Å; L231-L618 HydrophobicContact CD2-CB 4.09Å; L231-L618 HydrophobicContact CD2-CD1 4.29Å; L231-V619 HydrophobicContact CD2-CG2 4.32Å; L231-V623 HydrophobicContact CB-CG1 3.46Å; L231-V623 VanDerWaalsContact CB-CG1 3.46Å; L231-R624 PolarHBondContact N-O 3.4Å; L231-V625 HydrophobicContact CB-CG2 4.48Å; L231-V625 HydrophobicContact CD2-CG2 4.36Å; L231-V625 CarbonylContact O-C 3.38Å; L231-V625 WeakPolarHBondContact O-CA 3.18Å; L231-A626 PolarHBondContact O-N 3.31Å
232	Q	95.3	Very high	93.4	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.019	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	143.2	174.9	-67.2	-178	3.8	0	0	110	L234 Y418 R419 I421 A626 S631	Q232-L234 HydrophobicContact CB-CD2 4.48Å; Q232-Y418 WeakPolarHBondContact O-CA 3.29Å; Q232-R419 HydrophobicContact CB-CB 4.28Å; Q232-R419 PolarHBondContact N-O 3.33Å; Q232-R419 PolarHBondContact O-N 3.07Å; Q232-I421 HydrophobicContact CG-CD1 4.45Å; Q232-A626 HydrophobicContact CG-CB 3.59Å; Q232-S631 PolarHBondContact OE1-OG 2.89Å
233	D	95.8	Very high	93.4	Very high	18 Å²	18	20.2 Å²	20.2	10%	0.096	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	112.3	170.6	-172.1	-6.9	0	0	0	109.4	T191 S235 Y418 W615	T191-D233 WeakPolarHBondContact CB-OD2 3.3Å; T191-D233 VanDerWaalsContact CG2-OD2 3.32Å; T191-D233 WeakPolarHBondContact CG2-OD2 3.27Å; T191-D233 PolarHBondContact OG1-OD2 2.88Å; D233-S235 VanDerWaalsContact OD1-CB 3.26Å; D233-S235 WeakPolarHBondContact OD1-CB 3.4Å; D233-S235 PolarHBondContact OD1-N 3.26Å; D233-S235 PolarHBondContact OD1-OG 3.3Å; D233-Y418 HydrophobicContact CB-CD1 4.4Å; D233-Y418 HydrophobicContact CB-CE1 4.33Å; D233-W615 HydrophobicContact CB-CH2 3.82Å; D233-W615 HydrophobicContact CB-CZ3 3.85Å
234	L	94.4	Very high	93.4	Very high	4 Å²	4	12.1 Å²	12.1	2%	0.021	7%	0.071	C	C	.	.			trans	-113	20.6	180	-60.9	-173	0	0	0	111.7	Q232 Y236 Y237 R417 R419	Q232-L234 HydrophobicContact CB-CD2 4.48Å; L234-Y236 HydrophobicContact CD2-CE1 3.89Å; L234-Y236 PolarHBondContact O-N 2.82Å; L234-Y237 HydrophobicContact CB-CD2 3.91Å; L234-Y237 HydrophobicContact CB-CE2 4.23Å; L234-Y237 HydrophobicContact CD1-CE2 4.37Å; L234-Y237 HydrophobicContact CD2-CE2 4.17Å; L234-Y237 HydrophobicContact CG-CE2 4.5Å; L234-Y237 WeakPolarHBondContact O-CD2 3.39Å; L234-Y237 PolarHBondContact O-N 2.88Å; L234-R417 CarbonylContact C-O 3.51Å; L234-R417 WeakPolarHBondContact CA-O 3.39Å; L234-R417 HydrophobicContact CB-CG 4.28Å; L234-R417 PolarHBondContact N-O 3.16Å; L234-R419 HydrophobicContact CD1-CB 3.62Å; L234-R419 HydrophobicContact CD1-CG 4.33Å; L234-R419 VanDerWaalsContact CD1-CZ 3.44Å; L234-R419 HydrophobicContact CG-CB 4.09Å
235	S	92.8	Very high	93.4	Very high	6 Å²	6	16.7 Å²	16.7	4%	0.042	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-6.4	-177.3	-48	0	0	0	0	114.1	D233 Y237 V416 R417	D233-S235 VanDerWaalsContact OD1-CB 3.26Å; D233-S235 WeakPolarHBondContact OD1-CB 3.4Å; D233-S235 PolarHBondContact OD1-N 3.26Å; D233-S235 PolarHBondContact OD1-OG 3.3Å; S235-Y237 VanDerWaalsContact C-N 3.29Å; S235-V416 VanDerWaalsContact OG-CG1 3.32Å; S235-V416 WeakPolarHBondContact OG-CG1 3.34Å; S235-R417 PolarHBondContact N-O 3.27Å; S235-R417 PolarHBondContact OG-N 3.37Å
236	Y	92.6	Very high	93.3	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.008	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-13.9	171.5	64.8	-91.4	0	0	0	112.8	W205 L209 L234 C238 H316 P317 L628	W205-Y236 HydrophobicContact CZ3-CD2 4.46Å; W205-Y236 HydrophobicContact CZ3-CE2 4.08Å; L209-Y236 HydrophobicContact CD1-CD1 4.14Å; L209-Y236 HydrophobicContact CD1-CG 4.21Å; L209-Y236 HydrophobicContact CD2-CD1 4.25Å; L234-Y236 HydrophobicContact CD2-CE1 3.89Å; L234-Y236 PolarHBondContact O-N 2.82Å; Y236-C238 PolarHBondContact O-N 3.36Å; Y236-H316 AromaticContact CE2-CD2 3.77Å; Y236-H316 AromaticContact CE2-NE2 3.75Å; Y236-P317 HydrophobicContact CD2-CG 4.03Å; Y236-P317 WeakPolarHBondContact O-CD 3.25Å; Y236-P317 WeakPolarHBondContact O-CG 3.28Å; Y236-L628 HydrophobicContact CE1-CD2 4.19Å
237	Y	94.1	Very high	93.3	Very high	39 Å²	39	22.7 Å²	22.7	15%	0.153	12%	0.118	C	C	.	.	S	Bend	trans	-64.3	131	171.3	-82.1	-98.3	0	0	0	109.9	L234 S235 H316	L234-Y237 HydrophobicContact CB-CD2 3.91Å; L234-Y237 HydrophobicContact CB-CE2 4.23Å; L234-Y237 HydrophobicContact CD1-CE2 4.37Å; L234-Y237 HydrophobicContact CD2-CE2 4.17Å; L234-Y237 HydrophobicContact CG-CE2 4.5Å; L234-Y237 WeakPolarHBondContact O-CD2 3.39Å; L234-Y237 PolarHBondContact O-N 2.88Å; S235-Y237 VanDerWaalsContact C-N 3.29Å; Y237-H316 HydrophobicContact CE1-CB 4.32Å
238	C	92.9	Very high	93.4	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.014	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	127.3	-176.4	-59.9	0	0	0	0	108.7	Y236 W314 A315 K320 T412	Y236-C238 PolarHBondContact O-N 3.36Å; C238-W314 WeakPolarHBondContact O-CA 3.34Å; C238-A315 PolarHBondContact N-O 3.26Å; C238-A315 PolarHBondContact O-N 3.35Å; C238-K320 HydrophobicContact CB-CB 4.4Å; C238-K320 HydrophobicContact CB-CD 4.01Å; C238-K320 HydrophobicContact CB-CG 4.25Å; C238-T412 HydrophobicContact CB-CG2 3.41Å; C238-T412 VanDerWaalsContact CB-CG2 3.41Å; C238-T412 WeakPolarHBondContact SG-CG2 3.47Å
239	C	93.9	Very high	93.4	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.007	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123.2	173.9	-171.2	0	0	0	0	108.9	W314 L411	C239-W314 HydrophobicContact CB-CD2 4.3Å; C239-W314 HydrophobicContact CB-CE3 3.92Å; C239-W314 HydrophobicContact CB-CH2 3.88Å; C239-W314 HydrophobicContact CB-CZ2 4.22Å; C239-W314 HydrophobicContact CB-CZ3 3.72Å; C239-L411 HydrophobicContact CB-CB 4.11Å; C239-L411 CarbonylContact O-C 3.49Å; C239-L411 WeakPolarHBondContact O-CA 3.38Å; C239-L411 WeakPolarHBondContact O-CB 3.2Å; C239-L411 PolarHBondContact O-N 2.86Å
240	I	94.8	Very high	93.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.1	171.6	-57.1	171.9	0	0	0	106.4	L242 I313 L323 L327 I408	I240-L242 HydrophobicContact CG2-CD2 4.45Å; I240-I313 PolarHBondContact N-O 2.82Å; I240-I313 PolarHBondContact O-N 3.49Å; I240-L323 HydrophobicContact CD1-CD2 4.1Å; I240-L327 HydrophobicContact CD1-CD1 4.09Å; I240-L327 HydrophobicContact CG2-CD1 4.18Å; I240-I408 HydrophobicContact CG2-CG2 3.82Å
241	E	94.9	Very high	93.3	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131	177.4	170.2	-175.8	-124.5	0	0	109.8	K243 L311 I408 N409 L411	E241-K243 HydrophobicContact CG-CG 4.06Å; E241-K243 WeakPolarHBondContact OE1-CE 3.3Å; E241-K243 IonicContact OE1-NZ 2.73Å; E241-K243 WeakPolarHBondContact OE2-CE 3.38Å; E241-K243 IonicContact OE2-NZ 2.91Å; E241-L311 CarbonylContact C-O 3.59Å; E241-L311 WeakPolarHBondContact CA-O 3.42Å; E241-I408 CarbonylContact O-C 3.4Å; E241-I408 WeakPolarHBondContact O-CA 3.35Å; E241-N409 HydrophobicContact CB-CB 4.09Å; E241-N409 PolarHBondContact N-O 2.82Å; E241-N409 PolarHBondContact O-N 2.79Å; E241-N409 PolarHBondContact OE2-ND2 3.19Å; E241-L411 HydrophobicContact CB-CD1 3.72Å; E241-L411 HydrophobicContact CB-CG 4.16Å; E241-L411 HydrophobicContact CG-CD1 4.5Å
242	L	94.1	Very high	93	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.6	171.7	-57.7	178.9	0	0	0	108.5	I240 L249 L253 Q310 L311 I313 V407 I408	I240-L242 HydrophobicContact CG2-CD2 4.45Å; L242-L249 HydrophobicContact CB-CD2 3.99Å; L242-L253 HydrophobicContact CD1-CD1 4.47Å; L242-L253 HydrophobicContact CD1-CD2 4.08Å; L242-Q310 WeakPolarHBondContact O-CA 3.39Å; L242-L311 HydrophobicContact CB-CB 4.4Å; L242-L311 HydrophobicContact CD1-CD2 4.27Å; L242-L311 PolarHBondContact N-O 3.27Å; L242-L311 PolarHBondContact O-N 2.95Å; L242-I313 HydrophobicContact CD1-CD1 3.73Å; L242-I313 HydrophobicContact CG-CD1 4.42Å; L242-V407 WeakPolarHBondContact CA-O 3.25Å; L242-I408 HydrophobicContact CD2-CB 4.17Å; L242-I408 HydrophobicContact CD2-CD1 4.27Å; L242-I408 HydrophobicContact CD2-CG1 3.65Å; L242-I408 HydrophobicContact CD2-CG2 4.05Å
243	K	93	Very high	92.9	Very high	45 Å²	45	27.7 Å²	27.7	20%	0.196	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.4	172.8	-52.6	-166	-179.9	176.4	0	109.7	E241 R309 Q310 I406 V407	E241-K243 HydrophobicContact CG-CG 4.06Å; E241-K243 WeakPolarHBondContact OE1-CE 3.3Å; E241-K243 IonicContact OE1-NZ 2.73Å; E241-K243 WeakPolarHBondContact OE2-CE 3.38Å; E241-K243 IonicContact OE2-NZ 2.91Å; K243-R309 WeakPolarHBondContact CA-O 3.3Å; K243-Q310 HydrophobicContact CD-CG 4.19Å; K243-Q310 HydrophobicContact CG-CG 4.07Å; K243-I406 CarbonylContact O-C 3.57Å; K243-I406 WeakPolarHBondContact O-CA 3.3Å; K243-V407 HydrophobicContact CB-CB 4.36Å; K243-V407 PolarHBondContact N-O 3.04Å; K243-V407 PolarHBondContact O-N 2.81Å
244	G	92.3	Very high	92.7	Very high	4 Å²	4	30.3 Å²	30.3	4%	0.041	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.8	-177.8	178.8	0	0	0	0	0	112.7	R309	G244-R309 PolarHBondContact N-O 2.96Å; G244-R309 VanDerWaalsContact N-O 3.12Å; G244-R309 PolarHBondContact O-N 3.34Å
245	E	91.3	Very high	92.6	Very high	102 Å²	102	35.1 Å²	35.1	48%	0.477	18%	0.184	S	C	.	.			trans	-66.9	138.6	174.2	-149.3	171.2	-160.9	0	0	110.3	D247 K248 L249	E245-D247 PolarHBondContact O-N 2.85Å; E245-K248 HydrophobicContact CB-CB 4.42Å; E245-K248 HydrophobicContact CB-CD 4.19Å; E245-K248 HydrophobicContact CB-CG 4.36Å; E245-K248 PolarHBondContact O-N 2.96Å; E245-K248 WeakPolarHBondContact OE2-CE 3.42Å; E245-K248 IonicContact OE2-NZ 3.57Å; E245-K248 PolarHBondContact OE2-NZ 3.27Å; E245-L249 WeakPolarHBondContact O-CG 3.27Å; E245-L249 PolarHBondContact O-N 3.01Å
246	E	90.1	Very high	92.5	Very high	51 Å²	51	34.9 Å²	34.9	24%	0.238	18%	0.182	C	C	.	.	H	α-helix	trans	-58.9	-47.5	-171.1	179.4	167.5	170.8	0	0	112.5	K248 L249 L250 Q302 R309	E246-K248 VanDerWaalsContact C-N 3.33Å; E246-K248 PolarHBondContact O-N 3.4Å; E246-L249 PolarHBondContact O-N 3Å; E246-L250 HydrophobicContact CG-CD1 3.99Å; E246-L250 HydrophobicContact CG-CG 4.4Å; E246-L250 WeakPolarHBondContact O-CG 3.36Å; E246-L250 PolarHBondContact O-N 3.43Å; E246-Q302 PolarHBondContact OE2-NE2 2.87Å; E246-R309 IonicContact OE1-NH1 3.67Å; E246-R309 PolarHBondContact OE1-NH1 3.32Å; E246-R309 VanDerWaalsContact OE2-CD 3.25Å; E246-R309 WeakPolarHBondContact OE2-CD 3.41Å; E246-R309 IonicContact OE2-CZ 2.79Å; E246-R309 IonicContact OE2-NE 3.46Å; E246-R309 IonicContact OE2-NH1 2.73Å; E246-R309 PolarHBondContact OE2-NH1 3.45Å
247	D	91.2	Very high	92.4	Very high	122 Å²	122	35.6 Å²	35.6	65%	0.652	19%	0.187	S	C	*	.	H	α-helix	trans	-63.8	-39.7	-177.2	-62.8	-37.3	0	0	0	112.1	E245 L250 A251	E245-D247 PolarHBondContact O-N 2.85Å; D247-L250 PolarHBondContact O-N 3.02Å; D247-A251 WeakPolarHBondContact O-CB 3.43Å; D247-A251 PolarHBondContact O-N 3.17Å
248	K	91.9	Very high	92.1	Very high	89 Å²	89	34.8 Å²	34.8	39%	0.387	19%	0.187	S	C	.	.	H	α-helix	trans	-68.1	-41.2	177.6	-66.6	179.8	179.9	146.5	0	111.7	E245 E246 A251 A252 T404 I406	E245-K248 HydrophobicContact CB-CB 4.42Å; E245-K248 HydrophobicContact CB-CD 4.19Å; E245-K248 HydrophobicContact CB-CG 4.36Å; E245-K248 PolarHBondContact O-N 2.96Å; E245-K248 WeakPolarHBondContact OE2-CE 3.42Å; E245-K248 IonicContact OE2-NZ 3.57Å; E245-K248 PolarHBondContact OE2-NZ 3.27Å; E246-K248 VanDerWaalsContact C-N 3.33Å; E246-K248 PolarHBondContact O-N 3.4Å; K248-A251 PolarHBondContact O-N 2.84Å; K248-A252 WeakPolarHBondContact O-CB 3.25Å; K248-A252 PolarHBondContact O-N 3.07Å; K248-A252 VanDerWaalsContact O-N 3.09Å; K248-T404 WeakPolarHBondContact CD-O 3.35Å; K248-I406 HydrophobicContact CB-CD1 4.39Å
249	L	92.1	Very high	91.8	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-44.3	174.5	-72.4	173.1	0	0	0	111.2	L242 E245 E246 A252 L253 W299 R309 I406	L242-L249 HydrophobicContact CB-CD2 3.99Å; E245-L249 WeakPolarHBondContact O-CG 3.27Å; E245-L249 PolarHBondContact O-N 3.01Å; E246-L249 PolarHBondContact O-N 3Å; L249-A252 PolarHBondContact O-N 3.48Å; L249-L253 WeakPolarHBondContact O-CB 3.49Å; L249-L253 WeakPolarHBondContact O-CG 3.26Å; L249-L253 PolarHBondContact O-N 3.31Å; L249-W299 HydrophobicContact CB-CH2 4.31Å; L249-W299 HydrophobicContact CD1-CH2 4.34Å; L249-W299 HydrophobicContact CD1-CZ3 4.13Å; L249-R309 HydrophobicContact CD1-CB 4.4Å; L249-I406 HydrophobicContact CD2-CD1 4.1Å; L249-I406 HydrophobicContact CD2-CG1 4.05Å; L249-I406 HydrophobicContact CD2-CG2 3.91Å
250	L	92.6	Very high	91.3	Very high	25 Å²	25	48.1 Å²	48.1	13%	0.131	25%	0.246	C	C	.	.	H	α-helix	trans	-68.3	-38.8	179.2	-67.8	179.3	0	0	0	112.1	E246 D247 A252 L253 T254 A266 L271 W299	E246-L250 HydrophobicContact CG-CD1 3.99Å; E246-L250 HydrophobicContact CG-CG 4.4Å; E246-L250 WeakPolarHBondContact O-CG 3.36Å; E246-L250 PolarHBondContact O-N 3.43Å; D247-L250 PolarHBondContact O-N 3.02Å; L250-A252 PolarHBondContact O-N 2.85Å; L250-L253 PolarHBondContact O-N 3.25Å; L250-T254 VanDerWaalsContact O-CB 3.25Å; L250-T254 WeakPolarHBondContact O-CB 3.25Å; L250-T254 PolarHBondContact O-N 3.45Å; L250-T254 PolarHBondContact O-OG1 3.12Å; L250-A266 HydrophobicContact CD2-CB 3.98Å; L250-L271 HydrophobicContact CD1-CD2 4.26Å; L250-L271 HydrophobicContact CD2-CD2 4.13Å; L250-W299 HydrophobicContact CD2-CH2 4.13Å; L250-W299 HydrophobicContact CD2-CZ2 3.73Å
251	A	92.3	Very high	90.7	Very high	60 Å²	60	49.1 Å²	49.1	50%	0.496	25%	0.254	S	S	.	.	H	α-helix	trans	-59.7	-45.6	175.5	0	0	0	0	0	111.5	D247 K248	D247-A251 WeakPolarHBondContact O-CB 3.43Å; D247-A251 PolarHBondContact O-N 3.17Å; K248-A251 PolarHBondContact O-N 2.84Å
252	A	91.5	Very high	90.2	Very high	8 Å²	8	49.8 Å²	49.8	7%	0.066	26%	0.261	C	S	.	.	H	α-helix	trans	-62.3	-54.2	174.7	0	0	0	0	0	112	K248 L249 L250 T254 Q255 V330	K248-A252 WeakPolarHBondContact O-CB 3.25Å; K248-A252 PolarHBondContact O-N 3.07Å; K248-A252 VanDerWaalsContact O-N 3.09Å; L249-A252 PolarHBondContact O-N 3.48Å; L250-A252 PolarHBondContact O-N 2.85Å; A252-T254 VanDerWaalsContact C-N 3.29Å; A252-T254 PolarHBondContact O-N 3.44Å; A252-Q255 WeakPolarHBondContact O-CB 3.12Å; A252-Q255 PolarHBondContact O-N 3.04Å; A252-V330 HydrophobicContact CB-CG1 3.81Å; A252-V330 VanDerWaalsContact O-CG1 3.27Å; A252-V330 WeakPolarHBondContact O-CG1 3.35Å
253	L	92.6	Very high	89.8	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-69.9	-23.2	-174.1	-67.2	171.6	0	0	0	114	L242 L249 L250 Q255 L256 T257 F265 L311 I313 L327	L242-L253 HydrophobicContact CD1-CD1 4.47Å; L242-L253 HydrophobicContact CD1-CD2 4.08Å; L249-L253 WeakPolarHBondContact O-CB 3.49Å; L249-L253 WeakPolarHBondContact O-CG 3.26Å; L249-L253 PolarHBondContact O-N 3.31Å; L250-L253 PolarHBondContact O-N 3.25Å; L253-Q255 VanDerWaalsContact C-N 3.26Å; L253-Q255 PolarHBondContact O-N 3.32Å; L253-L256 HydrophobicContact CD2-CD1 4.38Å; L253-L256 PolarHBondContact O-N 3.24Å; L253-T257 PolarHBondContact O-N 3.09Å; L253-T257 PolarHBondContact O-OG1 3.14Å; L253-T257 VanDerWaalsContact O-OG1 3.1Å; L253-F265 HydrophobicContact CB-CB 4.32Å; L253-F265 HydrophobicContact CB-CD2 3.75Å; L253-F265 HydrophobicContact CB-CE2 4.28Å; L253-F265 HydrophobicContact CB-CG 4.15Å; L253-F265 HydrophobicContact CD1-CB 4.2Å; L253-F265 HydrophobicContact CD1-CD1 4.22Å; L253-F265 HydrophobicContact CD1-CD2 4.34Å; L253-F265 HydrophobicContact CD1-CG 4.02Å; L253-F265 HydrophobicContact CD2-CD2 4.38Å; L253-F265 HydrophobicContact CD2-CE2 4.17Å; L253-F265 HydrophobicContact CD2-CZ 4.38Å; L253-F265 HydrophobicContact CG-CD2 4.38Å; L253-L311 HydrophobicContact CD1-CD2 3.41Å; L253-L311 VanDerWaalsContact CD1-CD2 3.41Å; L253-I313 HydrophobicContact CD2-CD1 4.33Å; L253-L327 HydrophobicContact CD2-CD2 4.27Å
254	T	92.3	Very high	89.7	Confident	73 Å²	73	50 Å²	50	45%	0.448	27%	0.267	S	S	.	.	H	α-helix	trans	-66.8	-30.3	175.4	-61.8	0	0	0	0	111.4	L250 A252 L256 T257	L250-T254 VanDerWaalsContact O-CB 3.25Å; L250-T254 WeakPolarHBondContact O-CB 3.25Å; L250-T254 PolarHBondContact O-N 3.45Å; L250-T254 PolarHBondContact O-OG1 3.12Å; A252-T254 VanDerWaalsContact C-N 3.29Å; A252-T254 PolarHBondContact O-N 3.44Å; T254-L256 PolarHBondContact O-N 3.02Å; T254-T257 PolarHBondContact O-N 3Å
255	Q	91.3	Very high	89.6	Confident	104 Å²	104	50 Å²	50	49%	0.486	27%	0.266	S	S	.	.	H	α-helix	trans	-65.5	-25.8	176	-60.1	177.3	12	0	0	112.7	A252 L253 A284 G285	A252-Q255 WeakPolarHBondContact O-CB 3.12Å; A252-Q255 PolarHBondContact O-N 3.04Å; L253-Q255 VanDerWaalsContact C-N 3.26Å; L253-Q255 PolarHBondContact O-N 3.32Å; Q255-A284 HydrophobicContact CB-CB 4.44Å; Q255-G285 PolarHBondContact O-N 3.13Å
256	L	90.9	Very high	89.5	Confident	2 Å²	2	47 Å²	47	1%	0.01	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-5.5	-177.8	-61.8	173.5	0	0	0	113.5	L253 T254 V281 Y282 A284 L327 V330	L253-L256 HydrophobicContact CD2-CD1 4.38Å; L253-L256 PolarHBondContact O-N 3.24Å; T254-L256 PolarHBondContact O-N 3.02Å; L256-V281 HydrophobicContact CB-CG1 3.83Å; L256-V281 HydrophobicContact CD1-CG1 4.25Å; L256-V281 HydrophobicContact CD2-CG1 4.43Å; L256-V281 HydrophobicContact CG-CG1 4.42Å; L256-Y282 WeakPolarHBondContact CD2-O 3.31Å; L256-Y282 PolarHBondContact O-N 2.7Å; L256-A284 HydrophobicContact CD2-CB 4.22Å; L256-L327 HydrophobicContact CD1-CD2 3.76Å; L256-V330 HydrophobicContact CD2-CG2 3.94Å; L256-V330 HydrophobicContact CG-CG2 4.32Å
257	T	91.3	Very high	89.4	Confident	16 Å²	16	45.6 Å²	45.6	10%	0.098	26%	0.255	C	S	.	.			trans	-136.3	153.5	-172.5	57.9	0	0	0	0	112.7	L253 T254 F265 V279	L253-T257 PolarHBondContact O-N 3.09Å; L253-T257 PolarHBondContact O-OG1 3.14Å; L253-T257 VanDerWaalsContact O-OG1 3.1Å; T254-T257 PolarHBondContact O-N 3Å; T257-F265 HydrophobicContact CG2-CD2 3.57Å; T257-F265 HydrophobicContact CG2-CE2 3.36Å; T257-V279 HydrophobicContact CG2-CG1 4.36Å; T257-V279 HydrophobicContact CG2-CG2 3.62Å
258	C	86.3	Confident	89.3	Confident	23 Å²	23	43.8 Å²	43.8	16%	0.155	26%	0.258	C	S	.	.			trans	-122.9	136.6	177.2	-177.2	0	0	0	0	111.1	E260 A261 Y287	C258-E260 PolarHBondContact O-N 2.93Å; C258-E260 PolarHBondContact SG-N 3.34Å; C258-E260 VanDerWaalsContact SG-N 3.43Å; C258-A261 PolarHBondContact O-N 2.64Å; C258-Y287 HydrophobicContact CB-CD1 3.83Å; C258-Y287 HydrophobicContact CB-CD2 3.57Å; C258-Y287 HydrophobicContact CB-CE1 3.99Å; C258-Y287 HydrophobicContact CB-CE2 3.75Å; C258-Y287 HydrophobicContact CB-CG 3.61Å; C258-Y287 VanDerWaalsContact SG-CD1 3.58Å; C258-Y287 WeakPolarHBondContact SG-CE1 3.46Å
259	K	86.9	Confident	89.1	Confident	177 Å²	177	44.4 Å²	44.4	77%	0.77	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.9	176.8	-65.1	-179.9	-178.4	175.2	0	112.6	T264	K259-T264 HydrophobicContact CG-CG2 4.32Å
260	E	84.2	Confident	88.9	Confident	106 Å²	106	45.2 Å²	45.2	50%	0.495	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-31.5	-179.2	-58.6	-165.8	163.3	0	0	113.6	C258 N748 R749	C258-E260 PolarHBondContact O-N 2.93Å; C258-E260 PolarHBondContact SG-N 3.34Å; C258-E260 VanDerWaalsContact SG-N 3.43Å; E260-N748 PolarHBondContact OE2-ND2 3.11Å; E260-R749 PolarHBondContact O-N 3.45Å
261	A	81.9	Confident	88.7	Confident	21 Å²	21	45.6 Å²	45.6	17%	0.174	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-28.2	178.9	0	0	0	0	0	112.3	C258 Y287 R747 R749	C258-A261 PolarHBondContact O-N 2.64Å; A261-Y287 HydrophobicContact CB-CE2 4.2Å; A261-R747 HydrophobicContact CB-CB 4.46Å; A261-R749 PolarHBondContact O-NE 3.3Å
262	G	84	Confident	88.5	Confident	15 Å²	15	44.7 Å²	44.7	16%	0.155	26%	0.259	C	S	.	.	S	Bend	trans	161.1	-170.6	-179.6	0	0	0	0	0	113.5	T264	G262-T264 PolarHBondContact O-N 3.4Å
263	P	86.8	Confident	88.2	Confident	38 Å²	38	44.4 Å²	44.4	25%	0.247	26%	0.256	C	S	.	.			trans	-68.6	128	177.7	32.7	-36	0	0	0	109.8	A267 F270	P263-A267 HydrophobicContact CB-CB 4.15Å; P263-F270 HydrophobicContact CB-CE2 3.73Å; P263-F270 HydrophobicContact CB-CZ 4.49Å; P263-F270 HydrophobicContact CG-CE2 3.88Å; P263-F270 HydrophobicContact CG-CZ 4.31Å
264	T	90.4	Very high	88.1	Confident	12 Å²	12	45.2 Å²	45.2	7%	0.074	26%	0.263	C	S	.	.			trans	-92	-178.1	-175.7	63.5	0	0	0	0	111.7	K259 G262 A266 A267	K259-T264 HydrophobicContact CG-CG2 4.32Å; G262-T264 PolarHBondContact O-N 3.4Å; T264-A266 PolarHBondContact O-N 2.98Å; T264-A267 WeakPolarHBondContact O-CB 3.46Å; T264-A267 PolarHBondContact O-N 2.95Å
265	F	88.8	Confident	88	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.018	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.9	173.6	-63.3	-78.1	0	0	0	113.4	L253 T257 A267 V279 V295 F297 W299 L311 I313	L253-F265 HydrophobicContact CB-CB 4.32Å; L253-F265 HydrophobicContact CB-CD2 3.75Å; L253-F265 HydrophobicContact CB-CE2 4.28Å; L253-F265 HydrophobicContact CB-CG 4.15Å; L253-F265 HydrophobicContact CD1-CB 4.2Å; L253-F265 HydrophobicContact CD1-CD1 4.22Å; L253-F265 HydrophobicContact CD1-CD2 4.34Å; L253-F265 HydrophobicContact CD1-CG 4.02Å; L253-F265 HydrophobicContact CD2-CD2 4.38Å; L253-F265 HydrophobicContact CD2-CE2 4.17Å; L253-F265 HydrophobicContact CD2-CZ 4.38Å; L253-F265 HydrophobicContact CG-CD2 4.38Å; T257-F265 HydrophobicContact CG2-CD2 3.57Å; T257-F265 HydrophobicContact CG2-CE2 3.36Å; F265-A267 VanDerWaalsContact C-N 3.33Å; F265-A267 PolarHBondContact O-N 2.97Å; F265-V279 HydrophobicContact CD2-CG1 4.35Å; F265-V279 HydrophobicContact CE1-CG1 3.95Å; F265-V279 HydrophobicContact CE2-CG1 3.75Å; F265-V279 HydrophobicContact CZ-CG1 3.51Å; F265-V295 HydrophobicContact CZ-CG2 4.07Å; F265-F297 HydrophobicContact CD1-CB 4.06Å; F265-F297 AromaticContact CD1-CD1 3.68Å; F265-F297 HydrophobicContact CD1-CD1 3.68Å; F265-F297 AromaticContact CD1-CD2 3.68Å; F265-F297 HydrophobicContact CD1-CD2 3.68Å; F265-F297 AromaticContact CD1-CE1 3.96Å; F265-F297 HydrophobicContact CD1-CE1 3.96Å; F265-F297 AromaticContact CD1-CE2 3.96Å; F265-F297 HydrophobicContact CD1-CE2 3.96Å; F265-F297 AromaticContact CD1-CG 3.52Å; F265-F297 HydrophobicContact CD1-CG 3.52Å; F265-F297 HydrophobicContact CD1-CZ 4.09Å; F265-F297 HydrophobicContact CE1-CB 3.66Å; F265-F297 AromaticContact CE1-CD1 3.56Å; F265-F297 HydrophobicContact CE1-CD1 3.56Å; F265-F297 HydrophobicContact CE1-CD2 4.17Å; F265-F297 HydrophobicContact CE1-CE1 4.21Å; F265-F297 AromaticContact CE1-CG 3.53Å; F265-F297 HydrophobicContact CE1-CG 3.53Å; F265-F297 HydrophobicContact CZ-CD1 4.45Å; F265-W299 PolarHBondContact O-NE1 2.96Å; F265-L311 HydrophobicContact CD1-CD2 4.28Å; F265-I313 HydrophobicContact CE1-CD1 4.27Å; F265-I313 HydrophobicContact CE1-CG1 4.42Å; F265-I313 HydrophobicContact CZ-CD1 4.4Å
266	A	89.8	Confident	88.1	Confident	38 Å²	38	41 Å²	41	31%	0.314	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	2.9	-178.3	0	0	0	0	0	114.2	L250 T264 A268 L271	L250-A266 HydrophobicContact CD2-CB 3.98Å; T264-A266 PolarHBondContact O-N 2.98Å; A266-A268 PolarHBondContact O-N 3.31Å; A266-L271 VanDerWaalsContact O-CD1 3.22Å; A266-L271 WeakPolarHBondContact O-CD1 3.47Å
267	A	88.9	Confident	88.1	Confident	21 Å²	21	41 Å²	41	17%	0.174	24%	0.236	C	C	.	.			trans	-67.6	128.3	-179.7	0	0	0	0	0	110.8	P263 T264 F265 M269 F270 L271	P263-A267 HydrophobicContact CB-CB 4.15Å; T264-A267 WeakPolarHBondContact O-CB 3.46Å; T264-A267 PolarHBondContact O-N 2.95Å; F265-A267 VanDerWaalsContact C-N 3.33Å; F265-A267 PolarHBondContact O-N 2.97Å; A267-M269 HydrophobicContact CB-CG 4.18Å; A267-M269 PolarHBondContact O-N 3.46Å; A267-F270 HydrophobicContact CB-CD2 3.87Å; A267-F270 HydrophobicContact CB-CE2 4.37Å; A267-F270 PolarHBondContact O-N 2.93Å; A267-L271 PolarHBondContact O-N 3.17Å
268	A	87.9	Confident	88.1	Confident	85 Å²	85	43.5 Å²	43.5	70%	0.702	25%	0.254	S	S	*	.	H	α-helix	trans	-52.6	-33.9	-176.4	0	0	0	0	0	113.8	A266 F270	A266-A268 PolarHBondContact O-N 3.31Å; A268-F270 PolarHBondContact O-N 3.39Å
269	M	87.7	Confident	88.4	Confident	102 Å²	102	43 Å²	43	50%	0.502	25%	0.251	S	S	.	.	H	α-helix	trans	-63.5	-25.8	177.2	60.3	170	43.4	0	0	114.4	A267 S272	A267-M269 HydrophobicContact CB-CG 4.18Å; A267-M269 PolarHBondContact O-N 3.46Å; M269-S272 PolarHBondContact O-OG 3.35Å
270	F	89.6	Confident	88.7	Confident	17 Å²	17	36 Å²	36	8%	0.075	22%	0.222	C	C	.	.	H	α-helix	trans	-102.5	-29.9	179.8	-55.5	-47.2	0	0	0	112	P263 A267 A268 S272 G273 R275 Q276 F297 W299	P263-F270 HydrophobicContact CB-CE2 3.73Å; P263-F270 HydrophobicContact CB-CZ 4.49Å; P263-F270 HydrophobicContact CG-CE2 3.88Å; P263-F270 HydrophobicContact CG-CZ 4.31Å; A267-F270 HydrophobicContact CB-CD2 3.87Å; A267-F270 HydrophobicContact CB-CE2 4.37Å; A267-F270 PolarHBondContact O-N 2.93Å; A268-F270 PolarHBondContact O-N 3.39Å; F270-S272 PolarHBondContact O-N 3.39Å; F270-S272 VanDerWaalsContact O-N 3.14Å; F270-G273 PolarHBondContact O-N 2.87Å; F270-R275 HydrophobicContact CD1-CB 4.08Å; F270-R275 HydrophobicContact CE1-CB 4.31Å; F270-Q276 VanDerWaalsContact CE1-O 3.3Å; F270-Q276 WeakPolarHBondContact CE1-O 3.46Å; F270-F297 HydrophobicContact CB-CE2 3.78Å; F270-F297 HydrophobicContact CB-CZ 4.16Å; F270-F297 HydrophobicContact CD2-CE2 4.09Å; F270-F297 AromaticContact CD2-CZ 3.56Å; F270-F297 HydrophobicContact CD2-CZ 3.56Å; F270-F297 HydrophobicContact CE2-CZ 4.17Å; F270-F297 HydrophobicContact CG-CE2 4.11Å; F270-F297 HydrophobicContact CG-CZ 4.03Å; F270-W299 VanDerWaalsContact O-CD1 3.28Å
271	L	88.4	Confident	89.1	Confident	34 Å²	34	31.1 Å²	31.1	18%	0.178	20%	0.2	C	C	.	.	H	α-helix	trans	-61.2	-15.7	174.5	-72.4	178.1	0	0	0	113.6	L250 A266 A267 G273 W299 R309	L250-L271 HydrophobicContact CD1-CD2 4.26Å; L250-L271 HydrophobicContact CD2-CD2 4.13Å; A266-L271 VanDerWaalsContact O-CD1 3.22Å; A266-L271 WeakPolarHBondContact O-CD1 3.47Å; A267-L271 PolarHBondContact O-N 3.17Å; L271-G273 VanDerWaalsContact C-N 3.31Å; L271-W299 HydrophobicContact CD2-CZ2 4.16Å; L271-R309 PolarHBondContact O-NH1 2.8Å; L271-R309 PolarHBondContact O-NH2 3Å
272	S	86.4	Confident	89.6	Confident	41 Å²	41	30.3 Å²	30.3	29%	0.287	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-24.7	170.8	62.2	0	0	0	0	112.5	M269 F270 A274 L530	M269-S272 PolarHBondContact O-OG 3.35Å; F270-S272 PolarHBondContact O-N 3.39Å; F270-S272 VanDerWaalsContact O-N 3.14Å; S272-A274 VanDerWaalsContact C-N 3.25Å; S272-A274 WeakPolarHBondContact OG-CB 3.24Å; S272-A274 PolarHBondContact OG-N 3.24Å; S272-L530 WeakPolarHBondContact O-CD1 3.34Å
273	G	86.8	Confident	90	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.01	20%	0.203	C	C	.	.	S	Bend	trans	80.2	0.9	-169	0	0	0	0	0	114.2	F270 L271 R275 W299	F270-G273 PolarHBondContact O-N 2.87Å; L271-G273 VanDerWaalsContact C-N 3.31Å; G273-R275 VanDerWaalsContact C-N 3.31Å; G273-R275 PolarHBondContact O-N 2.93Å; G273-W299 VanDerWaalsContact CA-O 3.29Å; G273-W299 WeakPolarHBondContact CA-O 3.5Å
274	A	88.6	Confident	90.2	Very high	19 Å²	19	34.3 Å²	34.3	16%	0.157	21%	0.205	C	C	.	.	S	Bend	trans	-74.9	-21.3	178.5	0	0	0	0	0	113.4	S272 V486 L530	S272-A274 VanDerWaalsContact C-N 3.25Å; S272-A274 WeakPolarHBondContact OG-CB 3.24Å; S272-A274 PolarHBondContact OG-N 3.24Å; A274-V486 PolarHBondContact O-N 2.97Å; A274-V486 VanDerWaalsContact O-N 3.08Å; A274-L530 HydrophobicContact CB-CD1 4.25Å
275	R	90.9	Very high	90.1	Very high	71 Å²	71	37 Å²	37	27%	0.268	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-134.8	143.3	-176.4	-62.4	-175.4	-175.1	-176.2	1.8	112.4	F270 G273 G484	F270-R275 HydrophobicContact CD1-CB 4.08Å; F270-R275 HydrophobicContact CE1-CB 4.31Å; G273-R275 VanDerWaalsContact C-N 3.31Å; G273-R275 PolarHBondContact O-N 2.93Å; R275-G484 CarbonylContact C-O 3.6Å; R275-G484 WeakPolarHBondContact CA-O 3.41Å
276	Q	93.1	Very high	90	Very high	19 Å²	19	40.2 Å²	40.2	9%	0.089	25%	0.25	C	S	.	.			trans	-75.4	136.4	168.1	179.7	172.9	51.6	0	0	110.8	F270 T296 F297 G484 V584	F270-Q276 VanDerWaalsContact CE1-O 3.3Å; F270-Q276 WeakPolarHBondContact CE1-O 3.46Å; Q276-T296 PolarHBondContact NE2-OG1 3.03Å; Q276-F297 WeakPolarHBondContact CG-O 3.46Å; Q276-G484 PolarHBondContact N-O 2.93Å; Q276-V584 HydrophobicContact CB-CG1 3.75Å; Q276-V584 HydrophobicContact CG-CG1 4.36Å; Q276-V584 VanDerWaalsContact OE1-CG1 3.26Å
277	G	91.8	Very high	89.7	Confident	2 Å²	2	41.5 Å²	41.5	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	160.5	172.6	0	0	0	0	0	112.9	T296 F297	G277-T296 CarbonylContact O-C 3.59Å; G277-T296 VanDerWaalsContact O-CA 3.3Å; G277-T296 WeakPolarHBondContact O-CA 3.36Å; G277-F297 PolarHBondContact N-O 2.82Å; G277-F297 PolarHBondContact O-N 3.35Å
278	S	91.6	Very high	89.5	Confident	67 Å²	67	43.9 Å²	43.9	47%	0.469	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132.2	168.4	-174.8	0	0	0	0	109.4	V295	S278-V295 WeakPolarHBondContact CA-O 3.43Å; S278-V295 PolarHBondContact OG-O 3.43Å
279	V	92.9	Very high	89.2	Confident	14 Å²	14	42 Å²	42	9%	0.085	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	148.1	-176.1	66.4	0	0	0	0	109.9	T257 F265 V295 F297	T257-V279 HydrophobicContact CG2-CG1 4.36Å; T257-V279 HydrophobicContact CG2-CG2 3.62Å; F265-V279 HydrophobicContact CD2-CG1 4.35Å; F265-V279 HydrophobicContact CE1-CG1 3.95Å; F265-V279 HydrophobicContact CE2-CG1 3.75Å; F265-V279 HydrophobicContact CZ-CG1 3.51Å; V279-V295 HydrophobicContact CG1-CG2 3.66Å; V279-V295 PolarHBondContact N-O 2.99Å; V279-V295 PolarHBondContact O-N 3.35Å; V279-F297 HydrophobicContact CB-CD1 4.46Å; V279-F297 HydrophobicContact CB-CE1 4.04Å; V279-F297 HydrophobicContact CG1-CD1 3.78Å; V279-F297 HydrophobicContact CG1-CE1 3.79Å
280	T	91.9	Very high	89.2	Confident	28 Å²	28	40.5 Å²	40.5	17%	0.172	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	127.4	169.9	-56.8	0	0	0	0	108.9	Y282	T280-Y282 HydrophobicContact CG2-CE2 4.15Å
281	V	93.4	Very high	89.2	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.024	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	138.9	-177.6	-170.7	0	0	0	0	109.1	L256 L292 G293 V295 L323	L256-V281 HydrophobicContact CB-CG1 3.83Å; L256-V281 HydrophobicContact CD1-CG1 4.25Å; L256-V281 HydrophobicContact CD2-CG1 4.43Å; L256-V281 HydrophobicContact CG-CG1 4.42Å; V281-L292 HydrophobicContact CG1-CD1 4.11Å; V281-L292 PolarHBondContact O-N 2.9Å; V281-G293 PolarHBondContact N-O 2.99Å; V281-G293 PolarHBondContact O-N 3.02Å; V281-V295 HydrophobicContact CG2-CB 4.18Å; V281-V295 HydrophobicContact CG2-CG1 3.7Å; V281-V295 HydrophobicContact CG2-CG2 3.41Å; V281-V295 VanDerWaalsContact CG2-CG2 3.41Å; V281-L323 HydrophobicContact CB-CD1 4.48Å; V281-L323 HydrophobicContact CG1-CD1 3.91Å
282	Y	92.8	Very high	89.3	Confident	4 Å²	4	38.5 Å²	38.5	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	162.5	177.4	-64.6	-97.3	0	0	0	110	L256 T280 Y287 P291 R747	L256-Y282 WeakPolarHBondContact CD2-O 3.31Å; L256-Y282 PolarHBondContact O-N 2.7Å; T280-Y282 HydrophobicContact CG2-CE2 4.15Å; Y282-Y287 HydrophobicContact CD1-CD2 4.13Å; Y282-Y287 HydrophobicContact CD2-CD2 4.1Å; Y282-Y287 AromaticContact CE1-CD2 3.75Å; Y282-Y287 HydrophobicContact CE1-CD2 3.75Å; Y282-Y287 HydrophobicContact CE1-CE2 4.21Å; Y282-Y287 AromaticContact CE2-CD2 3.74Å; Y282-Y287 HydrophobicContact CE2-CD2 3.74Å; Y282-Y287 HydrophobicContact CE2-CE2 4.08Å; Y282-Y287 HydrophobicContact CG-CD2 4.28Å; Y282-Y287 AromaticContact CZ-CD2 3.54Å; Y282-Y287 AromaticContact CZ-CE2 3.71Å; Y282-P291 HydrophobicContact CD1-CB 3.9Å; Y282-P291 HydrophobicContact CE1-CB 3.75Å; Y282-R747 WeakPolarHBondContact OH-CD 3.41Å
283	R	92.4	Very high	89.6	Confident	104 Å²	104	36.5 Å²	36.5	39%	0.392	21%	0.213	S	C	.	.	S	Bend	trans	-60.6	146.1	165.2	-168.9	176.5	-84.4	-85	-3.3	109.5	G285 Q286 D290 E326	R283-G285 PolarHBondContact O-N 3.18Å; R283-G285 VanDerWaalsContact O-N 3.16Å; R283-Q286 HydrophobicContact CB-CB 4.31Å; R283-Q286 HydrophobicContact CB-CG 4.34Å; R283-Q286 VanDerWaalsContact CD-CD 3.47Å; R283-Q286 HydrophobicContact CG-CG 4.41Å; R283-Q286 PolarHBondContact O-N 2.64Å; R283-Q286 VanDerWaalsContact O-N 3.09Å; R283-D290 HydrophobicContact CB-CB 4.35Å; R283-D290 PolarHBondContact N-O 3.17Å; R283-E326 IonicContact CZ-OE1 3.57Å; R283-E326 IonicContact NE-OE1 3.23Å; R283-E326 IonicContact NH1-OE1 3.76Å; R283-E326 PolarHBondContact NH1-OE1 3.29Å; R283-E326 IonicContact NH2-OE1 2.79Å; R283-E326 PolarHBondContact NH2-OE1 3.32Å
284	A	90.5	Very high	89.9	Confident	34 Å²	34	37.6 Å²	37.6	28%	0.281	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	120	-169.3	0	0	0	0	0	112.8	Q255 L256 Q286 V330	Q255-A284 HydrophobicContact CB-CB 4.44Å; L256-A284 HydrophobicContact CD2-CB 4.22Å; A284-Q286 PolarHBondContact O-N 2.92Å; A284-V330 HydrophobicContact CB-CG2 3.63Å
285	G	87.2	Confident	90.2	Very high	68 Å²	68	36.8 Å²	36.8	70%	0.701	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	5.2	177.2	0	0	0	0	0	115.8	Q255 R283	Q255-G285 PolarHBondContact O-N 3.13Å; R283-G285 PolarHBondContact O-N 3.18Å; R283-G285 VanDerWaalsContact O-N 3.16Å
286	Q	87.1	Confident	90.4	Very high	72 Å²	72	34.8 Å²	34.8	34%	0.336	21%	0.209	S	C	.	.			trans	-99.9	13.2	-171.3	-62.4	-169.5	-0.2	0	0	114.9	R283 A284 S289 D290	R283-Q286 HydrophobicContact CB-CB 4.31Å; R283-Q286 HydrophobicContact CB-CG 4.34Å; R283-Q286 VanDerWaalsContact CD-CD 3.47Å; R283-Q286 HydrophobicContact CG-CG 4.41Å; R283-Q286 PolarHBondContact O-N 2.64Å; R283-Q286 VanDerWaalsContact O-N 3.09Å; A284-Q286 PolarHBondContact O-N 2.92Å; Q286-S289 CarbonylContact O-C 3.55Å; Q286-S289 WeakPolarHBondContact O-CA 3.36Å; Q286-S289 WeakPolarHBondContact O-CB 3.41Å; Q286-S289 PolarHBondContact O-N 3.16Å; Q286-S289 PolarHBondContact O-OG 3.11Å; Q286-D290 PolarHBondContact OE1-OD2 3.4Å
287	Y	84.6	Confident	90.5	Very high	65 Å²	65	33.9 Å²	33.9	26%	0.255	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	133.7	176.1	179.8	-94.5	0	0	0	111.4	C258 A261 Y282	C258-Y287 HydrophobicContact CB-CD1 3.83Å; C258-Y287 HydrophobicContact CB-CD2 3.57Å; C258-Y287 HydrophobicContact CB-CE1 3.99Å; C258-Y287 HydrophobicContact CB-CE2 3.75Å; C258-Y287 HydrophobicContact CB-CG 3.61Å; C258-Y287 VanDerWaalsContact SG-CD1 3.58Å; C258-Y287 WeakPolarHBondContact SG-CE1 3.46Å; A261-Y287 HydrophobicContact CB-CE2 4.2Å; Y282-Y287 HydrophobicContact CD1-CD2 4.13Å; Y282-Y287 HydrophobicContact CD2-CD2 4.1Å; Y282-Y287 AromaticContact CE1-CD2 3.75Å; Y282-Y287 HydrophobicContact CE1-CD2 3.75Å; Y282-Y287 HydrophobicContact CE1-CE2 4.21Å; Y282-Y287 AromaticContact CE2-CD2 3.74Å; Y282-Y287 HydrophobicContact CE2-CD2 3.74Å; Y282-Y287 HydrophobicContact CE2-CE2 4.08Å; Y282-Y287 HydrophobicContact CG-CD2 4.28Å; Y282-Y287 AromaticContact CZ-CD2 3.54Å; Y282-Y287 AromaticContact CZ-CE2 3.71Å
288	P	83.1	Confident	90.7	Very high	70 Å²	70	33.9 Å²	33.9	46%	0.455	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	cis	-92.6	-2.6	7	35.8	-36.1	0	0	0	116.1
289	S	82.2	Confident	90.8	Very high	47 Å²	47	30.8 Å²	30.8	33%	0.329	18%	0.182	S	C	.	.	S	Bend	trans	-69.8	158.9	175.9	36	0	0	0	0	113.2	Q286	Q286-S289 CarbonylContact O-C 3.55Å; Q286-S289 WeakPolarHBondContact O-CA 3.36Å; Q286-S289 WeakPolarHBondContact O-CB 3.41Å; Q286-S289 PolarHBondContact O-N 3.16Å; Q286-S289 PolarHBondContact O-OG 3.11Å
290	D	87.1	Confident	90.7	Very high	70 Å²	70	31 Å²	31	37%	0.374	18%	0.182	S	C	.	.			trans	48.4	65.6	173.1	-66.4	-8.5	0	0	0	116.8	R283 Q286	R283-D290 HydrophobicContact CB-CB 4.35Å; R283-D290 PolarHBondContact N-O 3.17Å; Q286-D290 PolarHBondContact OE1-OD2 3.4Å
291	P	90.8	Very high	90.6	Very high	4 Å²	4	30.1 Å²	30.1	3%	0.026	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	135.7	170.6	28.1	-27.3	0	0	0	111.2	Y282 D649 C650	Y282-P291 HydrophobicContact CD1-CB 3.9Å; Y282-P291 HydrophobicContact CE1-CB 3.75Å; P291-D649 HydrophobicContact CG-CB 4.01Å; P291-D649 WeakPolarHBondContact CG-OD2 3.34Å; P291-C650 WeakPolarHBondContact O-CA 3.48Å; P291-C650 PolarHBondContact O-SG 3.36Å
292	L	90.9	Very high	90.1	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-50	173.4	-58.6	174.5	0	0	0	110.5	V281 L319 D322 L323 E326 C650	V281-L292 HydrophobicContact CG1-CD1 4.11Å; V281-L292 PolarHBondContact O-N 2.9Å; L292-L319 HydrophobicContact CB-CD1 3.75Å; L292-L319 WeakPolarHBondContact O-CD1 3.45Å; L292-D322 HydrophobicContact CD2-CB 4.34Å; L292-L323 HydrophobicContact CD1-CD1 4.23Å; L292-E326 HydrophobicContact CD1-CB 4.15Å; L292-E326 HydrophobicContact CD1-CG 3.87Å; L292-E326 HydrophobicContact CD2-CG 4.47Å; L292-C650 WeakPolarHBondContact O-CB 3.36Å; L292-C650 PolarHBondContact O-SG 2.96Å; L292-C650 VanDerWaalsContact O-SG 3.39Å
293	G	91.9	Very high	89.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155	177.9	179.1	0	0	0	0	0	114.7	V281	V281-G293 PolarHBondContact N-O 2.99Å; V281-G293 PolarHBondContact O-N 3.02Å
294	P	93.5	Very high	87.9	Confident	24 Å²	24	40 Å²	40	16%	0.156	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	135.2	178.3	34.6	-34.1	0	0	0	111.5	F643 Y647	P294-F643 HydrophobicContact CG-CB 3.77Å; P294-F643 HydrophobicContact CG-CD2 3.87Å; P294-F643 HydrophobicContact CG-CG 3.94Å; P294-Y647 HydrophobicContact CB-CE1 4.45Å; P294-Y647 HydrophobicContact CG-CE1 3.96Å; P294-Y647 HydrophobicContact CG-CE2 4.03Å
295	V	94.9	Very high	86.5	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.012	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	151	170.2	-56.4	0	0	0	0	110.1	F265 S278 V279 V281 I313 A315 L319 L323	F265-V295 HydrophobicContact CZ-CG2 4.07Å; S278-V295 WeakPolarHBondContact CA-O 3.43Å; S278-V295 PolarHBondContact OG-O 3.43Å; V279-V295 HydrophobicContact CG1-CG2 3.66Å; V279-V295 PolarHBondContact N-O 2.99Å; V279-V295 PolarHBondContact O-N 3.35Å; V281-V295 HydrophobicContact CG2-CB 4.18Å; V281-V295 HydrophobicContact CG2-CG1 3.7Å; V281-V295 HydrophobicContact CG2-CG2 3.41Å; V281-V295 VanDerWaalsContact CG2-CG2 3.41Å; V295-I313 HydrophobicContact CB-CG2 3.84Å; V295-I313 HydrophobicContact CG1-CG2 4.08Å; V295-I313 HydrophobicContact CG2-CG2 4.03Å; V295-A315 HydrophobicContact CG1-CB 4.42Å; V295-L319 HydrophobicContact CG1-CD2 3.69Å; V295-L323 HydrophobicContact CG1-CD2 3.96Å
296	T	94.8	Very high	85.8	Confident	28 Å²	28	43.7 Å²	43.7	17%	0.172	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133.4	167.1	60.5	0	0	0	0	108.6	Q276 G277 W314	Q276-T296 PolarHBondContact NE2-OG1 3.03Å; G277-T296 CarbonylContact O-C 3.59Å; G277-T296 VanDerWaalsContact O-CA 3.3Å; G277-T296 WeakPolarHBondContact O-CA 3.36Å; T296-W314 PolarHBondContact N-O 3.47Å; T296-W314 WeakPolarHBondContact O-CB 3.48Å; T296-W314 PolarHBondContact O-N 2.94Å; T296-W314 WeakPolarHBondContact OG1-CB 3.21Å
297	F	95.2	Very high	84.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	153.2	-174.4	68.9	-90.1	0	0	0	111.9	F265 F270 Q276 G277 V279 W299 L311 W312 I313	F265-F297 HydrophobicContact CD1-CB 4.06Å; F265-F297 AromaticContact CD1-CD1 3.68Å; F265-F297 HydrophobicContact CD1-CD1 3.68Å; F265-F297 AromaticContact CD1-CD2 3.68Å; F265-F297 HydrophobicContact CD1-CD2 3.68Å; F265-F297 AromaticContact CD1-CE1 3.96Å; F265-F297 HydrophobicContact CD1-CE1 3.96Å; F265-F297 AromaticContact CD1-CE2 3.96Å; F265-F297 HydrophobicContact CD1-CE2 3.96Å; F265-F297 AromaticContact CD1-CG 3.52Å; F265-F297 HydrophobicContact CD1-CG 3.52Å; F265-F297 HydrophobicContact CD1-CZ 4.09Å; F265-F297 HydrophobicContact CE1-CB 3.66Å; F265-F297 AromaticContact CE1-CD1 3.56Å; F265-F297 HydrophobicContact CE1-CD1 3.56Å; F265-F297 HydrophobicContact CE1-CD2 4.17Å; F265-F297 HydrophobicContact CE1-CE1 4.21Å; F265-F297 AromaticContact CE1-CG 3.53Å; F265-F297 HydrophobicContact CE1-CG 3.53Å; F265-F297 HydrophobicContact CZ-CD1 4.45Å; F270-F297 HydrophobicContact CB-CE2 3.78Å; F270-F297 HydrophobicContact CB-CZ 4.16Å; F270-F297 HydrophobicContact CD2-CE2 4.09Å; F270-F297 AromaticContact CD2-CZ 3.56Å; F270-F297 HydrophobicContact CD2-CZ 3.56Å; F270-F297 HydrophobicContact CE2-CZ 4.17Å; F270-F297 HydrophobicContact CG-CE2 4.11Å; F270-F297 HydrophobicContact CG-CZ 4.03Å; Q276-F297 WeakPolarHBondContact CG-O 3.46Å; G277-F297 PolarHBondContact N-O 2.82Å; G277-F297 PolarHBondContact O-N 3.35Å; V279-F297 HydrophobicContact CB-CD1 4.46Å; V279-F297 HydrophobicContact CB-CE1 4.04Å; V279-F297 HydrophobicContact CG1-CD1 3.78Å; V279-F297 HydrophobicContact CG1-CE1 3.79Å; F297-W299 AromaticContact CE2-CD1 3.96Å; F297-W299 AromaticContact CE2-NE1 3.85Å; F297-L311 HydrophobicContact CB-CD1 4.07Å; F297-L311 HydrophobicContact CD2-CD1 4.04Å; F297-W312 CarbonylContact C-O 3.02Å; F297-W312 WeakPolarHBondContact CA-O 3.32Å; F297-I313 HydrophobicContact CB-CG1 4.45Å
298	L	95.1	Very high	84.7	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.016	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	123.1	179.7	179.4	61.6	0	0	0	110.2	L311 W312 V486 W538 L582	L298-L311 WeakPolarHBondContact O-CD1 3.48Å; L298-W312 PolarHBondContact N-O 3.24Å; L298-W312 PolarHBondContact O-N 3.44Å; L298-V486 HydrophobicContact CD1-CG2 3.74Å; L298-W538 HydrophobicContact CB-CH2 4.46Å; L298-W538 HydrophobicContact CD2-CH2 4.24Å; L298-W538 HydrophobicContact CD2-CZ2 3.78Å; L298-W538 HydrophobicContact CG-CH2 4.09Å; L298-W538 HydrophobicContact CG-CZ2 3.95Å; L298-W538 WeakPolarHBondContact O-CH2 3.47Å; L298-L582 HydrophobicContact CD2-CD2 3.54Å
299	W	94	Very high	85	Confident	1 Å²	1	43.7 Å²	43.7	0%	0.004	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	139.2	171.8	-72.1	102.6	0	0	0	110.6	L249 L250 F265 F270 L271 G273 F297 R309 L311	L249-W299 HydrophobicContact CB-CH2 4.31Å; L249-W299 HydrophobicContact CD1-CH2 4.34Å; L249-W299 HydrophobicContact CD1-CZ3 4.13Å; L250-W299 HydrophobicContact CD2-CH2 4.13Å; L250-W299 HydrophobicContact CD2-CZ2 3.73Å; F265-W299 PolarHBondContact O-NE1 2.96Å; F270-W299 VanDerWaalsContact O-CD1 3.28Å; L271-W299 HydrophobicContact CD2-CZ2 4.16Å; G273-W299 VanDerWaalsContact CA-O 3.29Å; G273-W299 WeakPolarHBondContact CA-O 3.5Å; F297-W299 AromaticContact CE2-CD1 3.96Å; F297-W299 AromaticContact CE2-NE1 3.85Å; W299-R309 HydrophobicContact CE3-CG 3.83Å; W299-R309 HydrophobicContact CZ3-CG 3.77Å; W299-L311 HydrophobicContact CD2-CB 4.35Å; W299-L311 HydrophobicContact CD2-CD1 3.77Å; W299-L311 HydrophobicContact CD2-CG 4.48Å; W299-L311 HydrophobicContact CE3-CB 3.86Å; W299-L311 HydrophobicContact CE3-CD1 4.17Å; W299-L311 HydrophobicContact CE3-CG 4.45Å; W299-L311 HydrophobicContact CG-CD1 4.02Å; W299-L311 HydrophobicContact CH2-CB 4.31Å; W299-L311 HydrophobicContact CH2-CD2 3.99Å; W299-L311 HydrophobicContact CZ2-CD1 4.34Å; W299-L311 HydrophobicContact CZ2-CD2 3.93Å; W299-L311 HydrophobicContact CZ3-CB 3.85Å; W299-L311 HydrophobicContact CZ3-CD2 4.37Å
300	R	92.3	Very high	85.5	Confident	20 Å²	20	42.2 Å²	42.2	8%	0.075	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-65.9	133.9	165.8	-177	174	169.1	160.4	0.9	109	R309 Q310 W538 E539	R300-R309 PolarHBondContact O-NH2 3.43Å; R300-Q310 HydrophobicContact CB-CB 3.99Å; R300-Q310 VanDerWaalsContact CD-OE1 3.23Å; R300-Q310 PolarHBondContact N-O 3.19Å; R300-W538 HydrophobicContact CB-CD2 4.15Å; R300-W538 HydrophobicContact CB-CE3 4.11Å; R300-W538 HydrophobicContact CB-CH2 4.34Å; R300-W538 HydrophobicContact CB-CZ2 4.36Å; R300-W538 HydrophobicContact CB-CZ3 4.18Å; R300-W538 HydrophobicContact CG-CD2 4.2Å; R300-W538 HydrophobicContact CG-CG 4.32Å; R300-E539 IonicContact CZ-OE1 3.2Å; R300-E539 VanDerWaalsContact CZ-OE1 3.23Å; R300-E539 IonicContact NH1-OE1 3.65Å; R300-E539 PolarHBondContact NH1-OE1 2.93Å; R300-E539 IonicContact NH2-OE1 2.93Å; R300-E539 PolarHBondContact NH2-OE1 3.49Å
301	P	89	Confident	85.9	Confident	8 Å²	8	38.9 Å²	38.9	5%	0.052	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-55.5	142.3	172.9	-25.3	34.7	0	0	0	111.5	T303 L530 C533	P301-T303 PolarHBondContact O-N 3.41Å; P301-L530 HydrophobicContact CB-CD1 4.21Å; P301-C533 HydrophobicContact CG-CB 3.93Å
302	Q	82.1	Confident	86.1	Confident	131 Å²	131	38.7 Å²	38.7	61%	0.612	24%	0.238	S	C	*	.	P	Polyproline II helix	trans	-65.2	124.2	178.6	-74.9	178	-8.1	0	0	109.6	E246	E246-Q302 PolarHBondContact OE2-NE2 2.87Å
303	T	71.8	Confident	86.4	Confident	47 Å²	47	38.6 Å²	38.6	29%	0.288	24%	0.238	S	C	.	.			trans	-113.8	126.9	174.4	22.1	0	0	0	0	107.4	P301 G305 L306	P301-T303 PolarHBondContact O-N 3.41Å; T303-G305 PolarHBondContact O-N 3.19Å; T303-L306 PolarHBondContact O-N 2.94Å
304	P	67.3	Low	86.6	Confident	141 Å²	141	38.8 Å²	38.8	92%	0.916	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	124.7	-177	23.4	-31.1	0	0	0	110
305	G	62.5	Low	86.7	Confident	81 Å²	81	37.6 Å²	37.6	84%	0.835	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	104.8	-8.5	176.2	0	0	0	0	0	116.7	T303	T303-G305 PolarHBondContact O-N 3.19Å
306	L	71.1	Confident	86.7	Confident	99 Å²	99	37.7 Å²	37.7	52%	0.518	23%	0.231	S	C	.	.			trans	-97.3	111.7	173.9	-79.5	164.4	0	0	0	110.7	T303	T303-L306 PolarHBondContact O-N 2.94Å
307	T	66	Low	86.6	Confident	130 Å²	130	36.9 Å²	36.9	80%	0.798	23%	0.226	S	C	*	.			trans	-75.6	-36.6	-176.6	52	0	0	0	0	114.8
308	P	83.4	Confident	86.5	Confident	58 Å²	58	37.4 Å²	37.4	38%	0.377	23%	0.231	S	C	.	.	S	Bend	trans	-85.9	123.5	173.9	32.6	-32.4	0	0	0	111
309	R	89.9	Confident	86.4	Confident	19 Å²	19	37.3 Å²	37.3	7%	0.072	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	143	172.6	-164.3	162.7	-170.5	167.4	7.3	110.4	K243 G244 E246 L249 L271 W299 R300	K243-R309 WeakPolarHBondContact CA-O 3.3Å; G244-R309 PolarHBondContact N-O 2.96Å; G244-R309 VanDerWaalsContact N-O 3.12Å; G244-R309 PolarHBondContact O-N 3.34Å; E246-R309 IonicContact OE1-NH1 3.67Å; E246-R309 PolarHBondContact OE1-NH1 3.32Å; E246-R309 VanDerWaalsContact OE2-CD 3.25Å; E246-R309 WeakPolarHBondContact OE2-CD 3.41Å; E246-R309 IonicContact OE2-CZ 2.79Å; E246-R309 IonicContact OE2-NE 3.46Å; E246-R309 IonicContact OE2-NH1 2.73Å; E246-R309 PolarHBondContact OE2-NH1 3.45Å; L249-R309 HydrophobicContact CD1-CB 4.4Å; L271-R309 PolarHBondContact O-NH1 2.8Å; L271-R309 PolarHBondContact O-NH2 3Å; W299-R309 HydrophobicContact CE3-CG 3.83Å; W299-R309 HydrophobicContact CZ3-CG 3.77Å; R300-R309 PolarHBondContact O-NH2 3.43Å
310	Q	92.9	Very high	86.3	Confident	16 Å²	16	39.1 Å²	39.1	8%	0.075	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.4	179.7	-58.5	-178.4	-14.7	0	0	111	L242 K243 R300 W538	L242-Q310 WeakPolarHBondContact O-CA 3.39Å; K243-Q310 HydrophobicContact CD-CG 4.19Å; K243-Q310 HydrophobicContact CG-CG 4.07Å; R300-Q310 HydrophobicContact CB-CB 3.99Å; R300-Q310 VanDerWaalsContact CD-OE1 3.23Å; R300-Q310 PolarHBondContact N-O 3.19Å; Q310-W538 HydrophobicContact CB-CE3 4.31Å; Q310-W538 HydrophobicContact CB-CZ3 4.44Å
311	L	94.7	Very high	86.2	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.8	177.8	172.6	63.3	0	0	0	109.7	E241 L242 L253 F265 F297 L298 W299 I313	E241-L311 CarbonylContact C-O 3.59Å; E241-L311 WeakPolarHBondContact CA-O 3.42Å; L242-L311 HydrophobicContact CB-CB 4.4Å; L242-L311 HydrophobicContact CD1-CD2 4.27Å; L242-L311 PolarHBondContact N-O 3.27Å; L242-L311 PolarHBondContact O-N 2.95Å; L253-L311 HydrophobicContact CD1-CD2 3.41Å; L253-L311 VanDerWaalsContact CD1-CD2 3.41Å; F265-L311 HydrophobicContact CD1-CD2 4.28Å; F297-L311 HydrophobicContact CB-CD1 4.07Å; F297-L311 HydrophobicContact CD2-CD1 4.04Å; L298-L311 WeakPolarHBondContact O-CD1 3.48Å; W299-L311 HydrophobicContact CD2-CB 4.35Å; W299-L311 HydrophobicContact CD2-CD1 3.77Å; W299-L311 HydrophobicContact CD2-CG 4.48Å; W299-L311 HydrophobicContact CE3-CB 3.86Å; W299-L311 HydrophobicContact CE3-CD1 4.17Å; W299-L311 HydrophobicContact CE3-CG 4.45Å; W299-L311 HydrophobicContact CG-CD1 4.02Å; W299-L311 HydrophobicContact CH2-CB 4.31Å; W299-L311 HydrophobicContact CH2-CD2 3.99Å; W299-L311 HydrophobicContact CZ2-CD1 4.34Å; W299-L311 HydrophobicContact CZ2-CD2 3.93Å; W299-L311 HydrophobicContact CZ3-CB 3.85Å; W299-L311 HydrophobicContact CZ3-CD2 4.37Å; L311-I313 HydrophobicContact CD2-CD1 4.3Å; L311-I313 HydrophobicContact CD2-CG1 4.25Å; L311-I313 HydrophobicContact CG-CG1 4.16Å
312	W	95.9	Very high	86.3	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.6	169.6	-73.7	-9.2	0	0	0	110.9	F297 L298 W314 I415 L537 W538 L582 L605	F297-W312 CarbonylContact C-O 3.02Å; F297-W312 WeakPolarHBondContact CA-O 3.32Å; L298-W312 PolarHBondContact N-O 3.24Å; L298-W312 PolarHBondContact O-N 3.44Å; W312-W314 HydrophobicContact CE3-CZ2 4.38Å; W312-I415 HydrophobicContact CD2-CD1 4.43Å; W312-I415 HydrophobicContact CE3-CD1 4.35Å; W312-I415 HydrophobicContact CH2-CD1 3.66Å; W312-I415 HydrophobicContact CZ2-CD1 3.71Å; W312-I415 HydrophobicContact CZ3-CD1 3.99Å; W312-L537 HydrophobicContact CH2-CB 4.46Å; W312-L537 HydrophobicContact CH2-CD2 4.18Å; W312-L537 HydrophobicContact CH2-CG 4.04Å; W312-L537 HydrophobicContact CZ3-CD2 4.4Å; W312-W538 HydrophobicContact CB-CH2 4.02Å; W312-W538 HydrophobicContact CB-CZ3 4.05Å; W312-W538 AromaticContact CD1-CE3 3.94Å; W312-W538 AromaticContact CD1-CZ3 3.35Å; W312-W538 HydrophobicContact CD2-CD2 4.34Å; W312-W538 AromaticContact CD2-CE3 3.67Å; W312-W538 HydrophobicContact CD2-CE3 3.67Å; W312-W538 AromaticContact CD2-CH2 3.42Å; W312-W538 HydrophobicContact CD2-CH2 3.42Å; W312-W538 VanDerWaalsContact CD2-CH2 3.42Å; W312-W538 HydrophobicContact CD2-CZ2 4.13Å; W312-W538 AromaticContact CD2-CZ3 3.17Å; W312-W538 HydrophobicContact CD2-CZ3 3.17Å; W312-W538 AromaticContact CE2-CD2 3.94Å; W312-W538 AromaticContact CE2-CE3 3.23Å; W312-W538 AromaticContact CE2-CH2 3.95Å; W312-W538 AromaticContact CE2-CZ3 3.26Å; W312-W538 HydrophobicContact CE3-CD2 4.47Å; W312-W538 HydrophobicContact CE3-CE3 4.22Å; W312-W538 AromaticContact CE3-CH2 3.56Å; W312-W538 HydrophobicContact CE3-CH2 3.56Å; W312-W538 AromaticContact CE3-CZ2 3.85Å; W312-W538 HydrophobicContact CE3-CZ2 3.85Å; W312-W538 AromaticContact CE3-CZ3 3.79Å; W312-W538 HydrophobicContact CE3-CZ3 3.79Å; W312-W538 HydrophobicContact CG-CE3 4.12Å; W312-W538 AromaticContact CG-CH2 3.63Å; W312-W538 HydrophobicContact CG-CH2 3.63Å; W312-W538 AromaticContact CG-CZ3 3.27Å; W312-W538 HydrophobicContact CG-CZ3 3.27Å; W312-W538 AromaticContact CH2-CD2 3.86Å; W312-W538 HydrophobicContact CH2-CD2 3.86Å; W312-W538 HydrophobicContact CH2-CE3 4.03Å; W312-W538 HydrophobicContact CH2-CG 4.24Å; W312-W538 HydrophobicContact CH2-CZ2 4.5Å; W312-W538 HydrophobicContact CH2-CZ3 4.43Å; W312-W538 HydrophobicContact CZ2-CB 4.49Å; W312-W538 AromaticContact CZ2-CD2 3.72Å; W312-W538 HydrophobicContact CZ2-CD2 3.72Å; W312-W538 AromaticContact CZ2-CE3 3.47Å; W312-W538 HydrophobicContact CZ2-CE3 3.47Å; W312-W538 VanDerWaalsContact CZ2-CE3 3.47Å; W312-W538 HydrophobicContact CZ2-CG 4.2Å; W312-W538 AromaticContact CZ2-CZ3 3.94Å; W312-W538 HydrophobicContact CZ2-CZ3 3.94Å; W312-W538 HydrophobicContact CZ3-CD2 4.25Å; W312-W538 HydrophobicContact CZ3-CE3 4.38Å; W312-W538 HydrophobicContact CZ3-CH2 4.18Å; W312-W538 HydrophobicContact CZ3-CZ2 4.05Å; W312-W538 HydrophobicContact CZ3-CZ3 4.36Å; W312-W538 AromaticContact NE1-CE3 3.41Å; W312-W538 AromaticContact NE1-CZ3 3.33Å; W312-W538 VanDerWaalsContact NE1-CZ3 3.33Å; W312-L582 HydrophobicContact CZ3-CD2 4.39Å; W312-L605 HydrophobicContact CZ3-CD1 4.3Å
313	I	96.4	Very high	86.8	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.015	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119	172.7	-57.5	179.6	0	0	0	108.2	I240 L242 L253 F265 V295 F297 L311 L323	I240-I313 PolarHBondContact N-O 2.82Å; I240-I313 PolarHBondContact O-N 3.49Å; L242-I313 HydrophobicContact CD1-CD1 3.73Å; L242-I313 HydrophobicContact CG-CD1 4.42Å; L253-I313 HydrophobicContact CD2-CD1 4.33Å; F265-I313 HydrophobicContact CE1-CD1 4.27Å; F265-I313 HydrophobicContact CE1-CG1 4.42Å; F265-I313 HydrophobicContact CZ-CD1 4.4Å; V295-I313 HydrophobicContact CB-CG2 3.84Å; V295-I313 HydrophobicContact CG1-CG2 4.08Å; V295-I313 HydrophobicContact CG2-CG2 4.03Å; F297-I313 HydrophobicContact CB-CG1 4.45Å; L311-I313 HydrophobicContact CD2-CD1 4.3Å; L311-I313 HydrophobicContact CD2-CG1 4.25Å; L311-I313 HydrophobicContact CG-CG1 4.16Å; I313-L323 HydrophobicContact CG2-CD2 4.38Å
314	W	96	Very high	87.8	Confident	3 Å²	3	38 Å²	38	1%	0.011	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	116.5	174.2	-62.4	88	0	0	0	109.8	C238 C239 T296 W312 I415 L605	C238-W314 WeakPolarHBondContact O-CA 3.34Å; C239-W314 HydrophobicContact CB-CD2 4.3Å; C239-W314 HydrophobicContact CB-CE3 3.92Å; C239-W314 HydrophobicContact CB-CH2 3.88Å; C239-W314 HydrophobicContact CB-CZ2 4.22Å; C239-W314 HydrophobicContact CB-CZ3 3.72Å; T296-W314 PolarHBondContact N-O 3.47Å; T296-W314 WeakPolarHBondContact O-CB 3.48Å; T296-W314 PolarHBondContact O-N 2.94Å; T296-W314 WeakPolarHBondContact OG1-CB 3.21Å; W312-W314 HydrophobicContact CE3-CZ2 4.38Å; W314-I415 HydrophobicContact CH2-CB 3.87Å; W314-I415 HydrophobicContact CH2-CD1 4.44Å; W314-I415 HydrophobicContact CH2-CG2 3.71Å; W314-I415 HydrophobicContact CZ2-CG2 4.26Å; W314-L605 HydrophobicContact CH2-CD2 4.09Å; W314-L605 HydrophobicContact CZ2-CD1 3.91Å; W314-L605 HydrophobicContact CZ2-CD2 3.92Å
315	A	95.1	Very high	89	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	149.6	178	0	0	0	0	0	111.1	C238 V295 L319 L323	C238-A315 PolarHBondContact N-O 3.26Å; C238-A315 PolarHBondContact O-N 3.35Å; V295-A315 HydrophobicContact CG1-CB 4.42Å; A315-L319 HydrophobicContact CB-CD2 4.22Å; A315-L319 HydrophobicContact CB-CG 4.41Å; A315-L323 HydrophobicContact CB-CD2 3.67Å
316	H	95.1	Very high	90.5	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.014	17%	0.173	C	C	.	.			trans	-70.2	147.4	170.6	-175.5	-90.1	0	0	0	110.2	W205 Y236 Y237 A318 L319 K320 F643	W205-H316 AromaticContact CD2-CE1 3.44Å; W205-H316 VanDerWaalsContact CD2-CE1 3.44Å; W205-H316 AromaticContact CD2-NE2 3.81Å; W205-H316 AromaticContact CE2-CE1 3.4Å; W205-H316 AromaticContact CE2-NE2 3.82Å; W205-H316 AromaticContact CE3-CE1 3.75Å; W205-H316 AromaticContact CE3-NE2 3.64Å; W205-H316 AromaticContact CG-CE1 3.93Å; W205-H316 AromaticContact CH2-CE1 3.94Å; W205-H316 AromaticContact CH2-NE2 3.48Å; W205-H316 WeakPolarHBondContact CH2-NE2 3.4Å; W205-H316 AromaticContact CZ2-CE1 3.66Å; W205-H316 AromaticContact CZ2-NE2 3.67Å; W205-H316 AromaticContact CZ3-CE1 3.99Å; W205-H316 AromaticContact CZ3-NE2 3.47Å; W205-H316 WeakPolarHBondContact CZ3-NE2 3.36Å; W205-H316 AromaticContact NE1-CE1 3.82Å; Y236-H316 AromaticContact CE2-CD2 3.77Å; Y236-H316 AromaticContact CE2-NE2 3.75Å; Y237-H316 HydrophobicContact CE1-CB 4.32Å; H316-A318 VanDerWaalsContact C-N 3.28Å; H316-A318 WeakPolarHBondContact ND1-CB 3.26Å; H316-A318 PolarHBondContact ND1-N 2.84Å; H316-A318 VanDerWaalsContact ND1-N 3.19Å; H316-A318 PolarHBondContact O-N 2.81Å; H316-L319 HydrophobicContact CB-CB 4.34Å; H316-L319 WeakPolarHBondContact O-CA 3.3Å; H316-L319 WeakPolarHBondContact O-CB 3.35Å; H316-L319 PolarHBondContact O-N 3.48Å; H316-K320 PolarHBondContact O-N 2.74Å; H316-F643 HydrophobicContact CB-CD1 3.52Å; H316-F643 HydrophobicContact CB-CE1 3.58Å; H316-F643 AromaticContact CG-CD1 3.66Å; H316-F643 AromaticContact CG-CE1 3.81Å; H316-F643 AromaticContact ND1-CD1 3.95Å; H316-F643 AromaticContact ND1-CE1 3.76Å
317	P	92.8	Very high	91.5	Very high	11 Å²	11	26.9 Å²	26.9	7%	0.071	15%	0.149	C	C	.	.	H	α-helix	trans	-53.2	-39.5	-179.8	-32.9	37.8	0	0	0	115.5	W205 Y207 Y236 L319 K320	W205-P317 HydrophobicContact CB-CB 3.94Å; Y207-P317 HydrophobicContact CD2-CB 4.47Å; Y207-P317 HydrophobicContact CD2-CG 4.23Å; Y207-P317 HydrophobicContact CE2-CB 3.89Å; Y207-P317 HydrophobicContact CE2-CG 3.66Å; Y236-P317 HydrophobicContact CD2-CG 4.03Å; Y236-P317 WeakPolarHBondContact O-CD 3.25Å; Y236-P317 WeakPolarHBondContact O-CG 3.28Å; P317-L319 VanDerWaalsContact C-N 3.26Å; P317-L319 PolarHBondContact O-N 2.88Å; P317-K320 PolarHBondContact O-N 3.37Å
318	A	92.7	Very high	92.7	Very high	12 Å²	12	23 Å²	23	10%	0.099	12%	0.122	C	C	.	.	H	α-helix	trans	-64.3	-33.1	176.2	0	0	0	0	0	112.3	H316 P644 A652	H316-A318 VanDerWaalsContact C-N 3.28Å; H316-A318 WeakPolarHBondContact ND1-CB 3.26Å; H316-A318 PolarHBondContact ND1-N 2.84Å; H316-A318 VanDerWaalsContact ND1-N 3.19Å; H316-A318 PolarHBondContact O-N 2.81Å; A318-P644 HydrophobicContact CB-CG 4.09Å; A318-A652 HydrophobicContact CB-CB 4.1Å
319	L	93.3	Very high	93.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-78	-34.2	177	-179.7	59	0	0	0	112	L292 V295 A315 H316 P317 Q321 D322 L323 F643	L292-L319 HydrophobicContact CB-CD1 3.75Å; L292-L319 WeakPolarHBondContact O-CD1 3.45Å; V295-L319 HydrophobicContact CG1-CD2 3.69Å; A315-L319 HydrophobicContact CB-CD2 4.22Å; A315-L319 HydrophobicContact CB-CG 4.41Å; H316-L319 HydrophobicContact CB-CB 4.34Å; H316-L319 WeakPolarHBondContact O-CA 3.3Å; H316-L319 WeakPolarHBondContact O-CB 3.35Å; H316-L319 PolarHBondContact O-N 3.48Å; P317-L319 VanDerWaalsContact C-N 3.26Å; P317-L319 PolarHBondContact O-N 2.88Å; L319-Q321 PolarHBondContact O-N 2.76Å; L319-D322 PolarHBondContact O-N 3Å; L319-D322 VanDerWaalsContact O-N 3.09Å; L319-L323 HydrophobicContact CD1-CB 4.48Å; L319-L323 HydrophobicContact CG-CB 4.22Å; L319-L323 HydrophobicContact CG-CD2 4.49Å; L319-L323 VanDerWaalsContact O-CB 3.28Å; L319-L323 WeakPolarHBondContact O-CB 3.35Å; L319-L323 PolarHBondContact O-N 3.48Å; L319-F643 HydrophobicContact CB-CE1 3.79Å; L319-F643 HydrophobicContact CB-CZ 3.79Å; L319-F643 HydrophobicContact CD1-CZ 4.35Å; L319-F643 HydrophobicContact CG-CZ 4.47Å
320	K	91.8	Very high	93.1	Very high	40 Å²	40	24.4 Å²	24.4	17%	0.174	13%	0.134	C	C	.	.	H	α-helix	trans	-54.3	-38.5	-178.5	-171.3	-157.7	174.1	-175.1	0	112.2	C238 H316 P317 D322 L323 L324 D410 T412	C238-K320 HydrophobicContact CB-CB 4.4Å; C238-K320 HydrophobicContact CB-CD 4.01Å; C238-K320 HydrophobicContact CB-CG 4.25Å; H316-K320 PolarHBondContact O-N 2.74Å; P317-K320 PolarHBondContact O-N 3.37Å; K320-D322 PolarHBondContact O-N 2.98Å; K320-L323 PolarHBondContact O-N 2.94Å; K320-L324 WeakPolarHBondContact O-CB 3.39Å; K320-L324 PolarHBondContact O-N 3.2Å; K320-D410 VanDerWaalsContact CE-OD1 3.25Å; K320-D410 WeakPolarHBondContact CE-OD1 3.48Å; K320-D410 WeakPolarHBondContact CE-OD2 3.26Å; K320-D410 IonicContact NZ-OD1 2.81Å; K320-D410 PolarHBondContact NZ-OD1 3.09Å; K320-D410 VanDerWaalsContact NZ-OD1 3.12Å; K320-D410 IonicContact NZ-OD2 3.03Å; K320-D410 PolarHBondContact NZ-OD2 2.98Å; K320-T412 HydrophobicContact CD-CG2 3.95Å; K320-T412 VanDerWaalsContact NZ-CG2 3.33Å
321	Q	89.5	Confident	92.9	Very high	130 Å²	130	23.7 Å²	23.7	61%	0.607	13%	0.132	S	C	*	.	H	α-helix	trans	-57.8	-37.2	-179.2	-68.4	-179.3	-15.3	0	0	112.3	L319 P325	L319-Q321 PolarHBondContact O-N 2.76Å; Q321-P325 VanDerWaalsContact O-CD 3.26Å; Q321-P325 WeakPolarHBondContact O-CD 3.42Å; Q321-P325 WeakPolarHBondContact O-CG 3.05Å
322	D	92.3	Very high	92.5	Very high	28 Å²	28	29.1 Å²	29.1	15%	0.15	16%	0.157	C	C	.	.	H	α-helix	trans	-97.2	-32.4	-177.6	-47.6	-44.6	0	0	0	111.3	L292 L319 K320 E326 R655	L292-D322 HydrophobicContact CD2-CB 4.34Å; L319-D322 PolarHBondContact O-N 3Å; L319-D322 VanDerWaalsContact O-N 3.09Å; K320-D322 PolarHBondContact O-N 2.98Å; D322-E326 VanDerWaalsContact O-CG 3.31Å; D322-E326 WeakPolarHBondContact O-CG 3.47Å; D322-R655 IonicContact OD1-CZ 3.65Å; D322-R655 IonicContact OD1-NH1 3.32Å; D322-R655 PolarHBondContact OD1-NH1 3.36Å; D322-R655 VanDerWaalsContact OD1-NH1 3.13Å; D322-R655 IonicContact OD1-NH2 3.65Å; D322-R655 PolarHBondContact OD1-NH2 2.96Å; D322-R655 IonicContact OD2-CZ 3.5Å; D322-R655 IonicContact OD2-NH1 2.63Å; D322-R655 PolarHBondContact OD2-NH1 3.02Å; D322-R655 IonicContact OD2-NH2 3.17Å
323	L	93.4	Very high	91.8	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-72.1	-38.8	-178.3	-179.8	66.3	0	0	0	113.8	I240 V281 L292 V295 I313 A315 L319 K320 E326 L327	I240-L323 HydrophobicContact CD1-CD2 4.1Å; V281-L323 HydrophobicContact CB-CD1 4.48Å; V281-L323 HydrophobicContact CG1-CD1 3.91Å; L292-L323 HydrophobicContact CD1-CD1 4.23Å; V295-L323 HydrophobicContact CG1-CD2 3.96Å; I313-L323 HydrophobicContact CG2-CD2 4.38Å; A315-L323 HydrophobicContact CB-CD2 3.67Å; L319-L323 HydrophobicContact CD1-CB 4.48Å; L319-L323 HydrophobicContact CG-CB 4.22Å; L319-L323 HydrophobicContact CG-CD2 4.49Å; L319-L323 VanDerWaalsContact O-CB 3.28Å; L319-L323 WeakPolarHBondContact O-CB 3.35Å; L319-L323 PolarHBondContact O-N 3.48Å; K320-L323 PolarHBondContact O-N 2.94Å; L323-E326 PolarHBondContact O-N 3.06Å; L323-L327 HydrophobicContact CD1-CD1 4.21Å; L323-L327 HydrophobicContact CD1-CG 4.14Å; L323-L327 HydrophobicContact CD2-CD1 4.39Å; L323-L327 HydrophobicContact CG-CD1 3.91Å; L323-L327 HydrophobicContact CG-CG 4.26Å; L323-L327 WeakPolarHBondContact O-CG 3.35Å; L323-L327 PolarHBondContact O-N 3.11Å
324	L	91.9	Very high	90.7	Very high	23 Å²	23	34.2 Å²	34.2	12%	0.12	19%	0.193	C	C	.	.	H	α-helix	trans	-65.5	-46.3	-175.9	-179.7	69	0	0	0	112.3	K320 E326 L327 Q328 W399 I408	K320-L324 WeakPolarHBondContact O-CB 3.39Å; K320-L324 PolarHBondContact O-N 3.2Å; L324-E326 VanDerWaalsContact C-N 3.32Å; L324-E326 PolarHBondContact O-N 2.86Å; L324-L327 PolarHBondContact O-N 3.29Å; L324-Q328 WeakPolarHBondContact O-CG 3.47Å; L324-Q328 PolarHBondContact O-N 3.23Å; L324-W399 HydrophobicContact CD1-CH2 4.41Å; L324-W399 HydrophobicContact CD1-CZ3 4.01Å; L324-W399 HydrophobicContact CD2-CH2 3.86Å; L324-W399 HydrophobicContact CD2-CZ3 4.28Å; L324-I408 HydrophobicContact CD1-CG2 4.22Å
325	P	92.4	Very high	89.8	Confident	67 Å²	67	38.6 Å²	38.6	44%	0.435	21%	0.213	S	C	.	.	H	α-helix	trans	-60.3	-38.8	172.9	-24.3	35	0	0	0	113.5	Q321 Q328 S329	Q321-P325 VanDerWaalsContact O-CD 3.26Å; Q321-P325 WeakPolarHBondContact O-CD 3.42Å; Q321-P325 WeakPolarHBondContact O-CG 3.05Å; P325-Q328 PolarHBondContact O-N 3.08Å; P325-S329 PolarHBondContact O-N 2.91Å
326	E	93.3	Very high	89	Confident	19 Å²	19	41.4 Å²	41.4	9%	0.089	24%	0.236	C	C	.	.	H	α-helix	trans	-64.3	-44	177	-72.8	-65	140	0	0	111.9	R283 L292 D322 L323 L324 Q328 S329 V330	R283-E326 IonicContact CZ-OE1 3.57Å; R283-E326 IonicContact NE-OE1 3.23Å; R283-E326 IonicContact NH1-OE1 3.76Å; R283-E326 PolarHBondContact NH1-OE1 3.29Å; R283-E326 IonicContact NH2-OE1 2.79Å; R283-E326 PolarHBondContact NH2-OE1 3.32Å; L292-E326 HydrophobicContact CD1-CB 4.15Å; L292-E326 HydrophobicContact CD1-CG 3.87Å; L292-E326 HydrophobicContact CD2-CG 4.47Å; D322-E326 VanDerWaalsContact O-CG 3.31Å; D322-E326 WeakPolarHBondContact O-CG 3.47Å; L323-E326 PolarHBondContact O-N 3.06Å; L324-E326 VanDerWaalsContact C-N 3.32Å; L324-E326 PolarHBondContact O-N 2.86Å; E326-Q328 VanDerWaalsContact C-N 3.32Å; E326-Q328 PolarHBondContact O-N 3.18Å; E326-S329 PolarHBondContact O-N 3.12Å; E326-V330 WeakPolarHBondContact O-CG2 3.25Å; E326-V330 PolarHBondContact O-N 3.1Å
327	L	92.4	Very high	87.7	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-37.9	174.7	-72.4	173.2	0	0	0	112	I240 L253 L256 L323 L324 C331 I408	I240-L327 HydrophobicContact CD1-CD1 4.09Å; I240-L327 HydrophobicContact CG2-CD1 4.18Å; L253-L327 HydrophobicContact CD2-CD2 4.27Å; L256-L327 HydrophobicContact CD1-CD2 3.76Å; L323-L327 HydrophobicContact CD1-CD1 4.21Å; L323-L327 HydrophobicContact CD1-CG 4.14Å; L323-L327 HydrophobicContact CD2-CD1 4.39Å; L323-L327 HydrophobicContact CG-CD1 3.91Å; L323-L327 HydrophobicContact CG-CG 4.26Å; L323-L327 WeakPolarHBondContact O-CG 3.35Å; L323-L327 PolarHBondContact O-N 3.11Å; L324-L327 PolarHBondContact O-N 3.29Å; L327-C331 WeakPolarHBondContact O-CB 3.15Å; L327-C331 PolarHBondContact O-N 3.48Å; L327-C331 PolarHBondContact O-SG 2.9Å; L327-C331 VanDerWaalsContact O-SG 3.35Å; L327-I408 HydrophobicContact CB-CD1 4.25Å
328	Q	91.8	Very high	86	Confident	49 Å²	49	48.8 Å²	48.8	23%	0.229	29%	0.285	C	S	.	.	H	α-helix	trans	-63.2	-42.3	175.4	-74	170.1	-15.7	0	0	111.8	L324 P325 E326 Q332 C333 I408	L324-Q328 WeakPolarHBondContact O-CG 3.47Å; L324-Q328 PolarHBondContact O-N 3.23Å; P325-Q328 PolarHBondContact O-N 3.08Å; E326-Q328 VanDerWaalsContact C-N 3.32Å; E326-Q328 PolarHBondContact O-N 3.18Å; Q328-Q332 WeakPolarHBondContact O-CA 3.36Å; Q328-Q332 PolarHBondContact O-N 2.87Å; Q328-C333 PolarHBondContact O-N 2.62Å; Q328-I408 HydrophobicContact CG-CD1 4.3Å
329	S	91.3	Very high	84.3	Confident	87 Å²	87	50.8 Å²	50.8	61%	0.608	30%	0.297	S	S	*	.	H	α-helix	trans	-65	-50.7	177.5	-179	0	0	0	0	111.9	P325 E326 Q332	P325-S329 PolarHBondContact O-N 2.91Å; E326-S329 PolarHBondContact O-N 3.12Å; S329-Q332 PolarHBondContact O-N 2.87Å
330	V	90.7	Very high	82	Confident	18 Å²	18	56.6 Å²	56.6	11%	0.109	34%	0.335	C	S	.	.	H	α-helix	trans	-68	-40	-177.1	175	0	0	0	0	112.3	A252 L256 A284 E326 Q332	A252-V330 HydrophobicContact CB-CG1 3.81Å; A252-V330 VanDerWaalsContact O-CG1 3.27Å; A252-V330 WeakPolarHBondContact O-CG1 3.35Å; L256-V330 HydrophobicContact CD2-CG2 3.94Å; L256-V330 HydrophobicContact CG-CG2 4.32Å; A284-V330 HydrophobicContact CB-CG2 3.63Å; E326-V330 WeakPolarHBondContact O-CG2 3.25Å; E326-V330 PolarHBondContact O-N 3.1Å; V330-Q332 VanDerWaalsContact C-N 3.27Å; V330-Q332 PolarHBondContact O-N 2.67Å
331	C	87.6	Confident	79.5	Confident	2 Å²	2	61 Å²	61	1%	0.014	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-3.8	178.1	-61.6	0	0	0	0	113.3	L327 C333 S401 T404 I406 I408	L327-C331 WeakPolarHBondContact O-CB 3.15Å; L327-C331 PolarHBondContact O-N 3.48Å; L327-C331 PolarHBondContact O-SG 2.9Å; L327-C331 VanDerWaalsContact O-SG 3.35Å; C331-C333 VanDerWaalsContact C-N 3.28Å; C331-C333 WeakPolarHBondContact CB-SG 3.3Å; C331-C333 PolarHBondContact O-N 3.28Å; C331-S401 WeakPolarHBondContact O-CB 3.35Å; C331-S401 PolarHBondContact O-OG 2.89Å; C331-T404 PolarHBondContact O-OG1 3.25Å; C331-I406 HydrophobicContact CB-CB 4.48Å; C331-I406 HydrophobicContact CB-CD1 4.32Å; C331-I406 HydrophobicContact CB-CG2 4.12Å; C331-I408 HydrophobicContact CB-CD1 4.16Å
332	Q	86.4	Confident	77	Confident	113 Å²	113	63.1 Å²	63.1	53%	0.528	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	42.4	-174.7	-56.4	176.9	-7.8	0	0	112.6	Q328 S329 V330 S401 S403	Q328-Q332 WeakPolarHBondContact O-CA 3.36Å; Q328-Q332 PolarHBondContact O-N 2.87Å; S329-Q332 PolarHBondContact O-N 2.87Å; V330-Q332 VanDerWaalsContact C-N 3.27Å; V330-Q332 PolarHBondContact O-N 2.67Å; Q332-S401 WeakPolarHBondContact O-CB 3.46Å; Q332-S401 PolarHBondContact O-OG 3.19Å; Q332-S403 PolarHBondContact OE1-OG 3.31Å
333	C	81.1	Confident	74.2	Confident	4 Å²	4	66.9 Å²	66.9	3%	0.027	40%	0.401	C	S	.	.			trans	-98.8	83.7	-177.7	-63.2	0	0	0	0	110.5	Q328 C331 W399 I406 I408	Q328-C333 PolarHBondContact O-N 2.62Å; C331-C333 VanDerWaalsContact C-N 3.28Å; C331-C333 WeakPolarHBondContact CB-SG 3.3Å; C331-C333 PolarHBondContact O-N 3.28Å; C333-W399 HydrophobicContact CB-CB 3.97Å; C333-I406 PolarHBondContact SG-O 3.14Å; C333-I408 HydrophobicContact CB-CD1 3.81Å; C333-I408 HydrophobicContact CB-CG1 4.17Å
334	S	74.4	Confident	71.1	Confident	106 Å²	106	75.7 Å²	75.7	74%	0.741	44%	0.442	S	S	*	.			trans	-97.8	-21.1	179.5	52.8	0	0	0	0	114.2	A336	S334-A336 PolarHBondContact O-N 2.9Å
335	E	76.9	Confident	68.1	Low	96 Å²	96	80.9 Å²	80.9	45%	0.449	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	104.3	-177.8	-68	175.2	-159.2	0	0	110.6	W399 R400 S402	E335-W399 CarbonylContact O-C 3.59Å; E335-W399 VanDerWaalsContact O-CA 3.27Å; E335-W399 WeakPolarHBondContact O-CA 3.37Å; E335-R400 PolarHBondContact N-O 3.28Å; E335-R400 PolarHBondContact O-N 2.95Å; E335-S402 PolarHBondContact OE1-OG 2.87Å; E335-S402 PolarHBondContact OE2-OG 3.13Å
336	A	77.2	Confident	65.1	Low	58 Å²	58	82.9 Å²	82.9	48%	0.479	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	119.3	173.5	0	0	0	0	0	110.5	S334 P396	S334-A336 PolarHBondContact O-N 2.9Å; A336-P396 HydrophobicContact CB-CB 3.63Å; A336-P396 HydrophobicContact CB-CG 3.94Å
337	M	68.4	Low	62	Low	84 Å²	84	91.8 Å²	91.8	41%	0.414	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	124.7	170.8	-69.6	-178.2	165.5	0	0	109.2	T398 R400	M337-T398 HydrophobicContact CB-CG2 4.41Å; M337-T398 PolarHBondContact N-O 3.43Å; M337-T398 HydrophobicContact SD-CG2 4.06Å; M337-R400 HydrophobicContact CE-CB 4.02Å; M337-R400 HydrophobicContact CE-CG 4.46Å
338	A	56.8	Low	59	Low	85 Å²	85	96.2 Å²	96.2	70%	0.702	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-63.7	136.2	166.9	0	0	0	0	0	108.4
339	P	57	Low	56	Low	54 Å²	54	103.4 Å²	103.4	35%	0.351	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-56.4	142.6	172.9	23.9	-31.3	0	0	0	109	V341	P339-V341 PolarHBondContact O-N 3.44Å
340	P	45.9	Very low	53.1	Low	122 Å²	122	103.9 Å²	103.9	79%	0.792	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-55.4	118.2	175	11.4	-15.2	0	0	0	108	E342	P340-E342 PolarHBondContact O-N 2.83Å
341	V	38.8	Very low	50.2	Low	133 Å²	133	110.5 Å²	110.5	81%	0.806	64%	0.637	S	S	*	*			trans	-65.3	103.4	170.1	178.3	0	0	0	0	104.8	P339 P343	P339-V341 PolarHBondContact O-N 3.44Å; V341-P343 VanDerWaalsContact O-CD 3.28Å; V341-P343 WeakPolarHBondContact O-CD 3.46Å; V341-P343 VanDerWaalsContact O-N 3.14Å
342	E	36.3	Very low	47.7	Very low	175 Å²	175	116.3 Å²	116.3	82%	0.818	68%	0.675	S	S	*	*			trans	-57.7	119.9	165.1	-74.4	-170	170.6	0	0	106.6	P340 E344	P340-E342 PolarHBondContact O-N 2.83Å; E342-E344 PolarHBondContact O-N 3.01Å
343	P	33.5	Very low	44.9	Very low	107 Å²	107	116.2 Å²	116.2	70%	0.695	69%	0.687	S	S	*	*			trans	-59.5	130	169.6	24.5	-29.6	0	0	0	106.6	V341 V345	V341-P343 VanDerWaalsContact O-CD 3.28Å; V341-P343 WeakPolarHBondContact O-CD 3.46Å; V341-P343 VanDerWaalsContact O-N 3.14Å; P343-V345 PolarHBondContact O-N 3.42Å
344	E	29.1	Very low	42.6	Very low	187 Å²	187	122 Å²	122	87%	0.874	72%	0.724	S	S	*	*			trans	-49.9	115	167.5	-72.3	-167.1	155.8	0	0	107.2	E342 S346	E342-E344 PolarHBondContact O-N 3.01Å; E344-S346 PolarHBondContact O-N 3.01Å
345	V	28.8	Very low	40.5	Very low	131 Å²	131	126.4 Å²	126.4	79%	0.794	73%	0.733	S	S	*	*			trans	-62.9	95	172.1	175.9	0	0	0	0	106.2	P343 R347	P343-V345 PolarHBondContact O-N 3.42Å; V345-R347 VanDerWaalsContact C-N 3.34Å; V345-R347 PolarHBondContact O-N 2.82Å
346	S	30.1	Very low	38.3	Very low	110 Å²	110	126.5 Å²	126.5	77%	0.769	75%	0.751	S	S	*	*			trans	-58.3	99.5	164.2	51.5	0	0	0	0	106.9	E344 A348	E344-S346 PolarHBondContact O-N 3.01Å; S346-A348 PolarHBondContact O-N 2.76Å
347	R	28.4	Very low	36	Very low	205 Å²	205	132.3 Å²	132.3	77%	0.774	77%	0.768	S	S	*	*			trans	-63.1	132.3	163.6	-84.7	-176.8	171.7	161.5	-2.4	107.5	V345	V345-R347 VanDerWaalsContact C-N 3.34Å; V345-R347 PolarHBondContact O-N 2.82Å
348	A	29.4	Very low	34.2	Very low	94 Å²	94	133.6 Å²	133.6	78%	0.777	78%	0.783	S	S	*	*			trans	-32.7	133.1	-176.2	0	0	0	0	0	114.5	S346 A350	S346-A348 PolarHBondContact O-N 2.76Å; A348-A350 PolarHBondContact O-N 2.7Å
349	E	28.3	Very low	32.9	Very low	201 Å²	201	137 Å²	137	94%	0.939	79%	0.789	S	S	*	*			trans	-49	123.5	163.9	-65	-178.6	150.7	0	0	109.6
350	A	30.9	Very low	32	Very low	97 Å²	97	139.8 Å²	139.8	80%	0.802	81%	0.807	S	S	*	*			trans	-102.2	135.4	157	0	0	0	0	0	106.7	A348	A348-A350 PolarHBondContact O-N 2.7Å
351	D	29.2	Very low	31.5	Very low	156 Å²	156	140.8 Å²	140.8	83%	0.834	81%	0.805	S	S	*	*			trans	-40.1	150.7	-170.7	-80.4	-45.5	0	0	0	117.2
352	P	34.2	Very low	31.3	Very low	124 Å²	124	142.1 Å²	142.1	81%	0.805	81%	0.808	S	S	*	*			trans	-79.2	132.6	178.6	32.8	-31.5	0	0	0	111.5
353	S	27.7	Very low	31.2	Very low	111 Å²	111	142.9 Å²	142.9	78%	0.776	81%	0.812	S	S	*	*			trans	-139.9	152	162.6	68.1	0	0	0	0	109
354	P	34.2	Very low	31.3	Very low	126 Å²	126	146 Å²	146	82%	0.818	82%	0.822	S	S	*	*	P	Polyproline II helix		-79.6	153.4	-122.6	-13.7	27.7	0	0	0	115.6	A356	P354-A356 PolarHBondContact O-N 2.9Å
355	Q	29.4	Very low	31.3	Very low	198 Å²	198	146.6 Å²	146.6	93%	0.925	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-53.3	129.2	170.7	-66.1	177.9	-20.7	0	0	111.7
356	A	30	Very low	31.6	Very low	99 Å²	99	145.7 Å²	145.7	82%	0.818	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-99.5	123.6	156.4	0	0	0	0	0	108.1	P354	P354-A356 PolarHBondContact O-N 2.9Å
357	E	29.6	Very low	32.2	Very low	179 Å²	179	144 Å²	144	84%	0.836	83%	0.827	S	S	*	*			trans	-40.1	141.5	176.2	-72.7	-86.2	154.2	0	0	114.3	N359	E357-N359 PolarHBondContact O-N 2.81Å
358	P	31	Very low	32.5	Very low	112 Å²	112	138.5 Å²	138.5	73%	0.727	83%	0.826	S	S	*	*			trans	-81.1	110	174.2	31.5	-28.2	0	0	0	110.5	P360	P358-P360 WeakPolarHBondContact O-CD 3.43Å
359	N	30.1	Very low	33.2	Very low	156 Å²	156	143.8 Å²	143.8	83%	0.834	83%	0.831	S	S	*	*			trans	-65.3	121.5	166.3	-110.2	-12	0	0	0	110.1	E357 D361	E357-N359 PolarHBondContact O-N 2.81Å; N359-D361 PolarHBondContact O-N 2.89Å; N359-D361 VanDerWaalsContact O-N 3.14Å
360	P	38.3	Very low	34	Very low	112 Å²	112	145.7 Å²	145.7	73%	0.727	83%	0.83	S	S	*	*			trans	-90.6	68.9	-178	37	-32.2	0	0	0	110	P358	P358-P360 WeakPolarHBondContact O-CD 3.43Å
361	D	33.9	Very low	34.6	Very low	143 Å²	143	148.1 Å²	148.1	77%	0.765	82%	0.822	S	S	*	*			trans	-149.9	83.6	172.3	-89.7	-36.7	0	0	0	110.8	N359	N359-D361 PolarHBondContact O-N 2.89Å; N359-D361 VanDerWaalsContact O-N 3.14Å
362	N	34.5	Very low	35.1	Very low	161 Å²	161	151 Å²	151	86%	0.861	82%	0.822	S	S	*	*			trans	-162.4	77	153.6	-100	-43.9	0	0	0	110.1	L364	N362-L364 PolarHBondContact O-N 3.17Å
363	E	33.8	Very low	35.2	Very low	191 Å²	191	150.5 Å²	150.5	89%	0.893	82%	0.819	S	S	*	*			trans	-54.7	119.8	160.7	-74.7	-170.1	147	0	0	110.2	K365	E363-K365 PolarHBondContact O-N 2.97Å
364	L	35.7	Very low	35.6	Very low	174 Å²	174	151.5 Å²	151.5	91%	0.911	83%	0.825	S	S	*	*			trans	-68.3	98.4	178.1	-75.6	161.4	0	0	0	110.6	N362 A366	N362-L364 PolarHBondContact O-N 3.17Å; L364-A366 PolarHBondContact O-N 2.87Å; L364-A366 VanDerWaalsContact O-N 3.13Å
365	K	29.9	Very low	35.9	Very low	199 Å²	199	154.6 Å²	154.6	87%	0.865	83%	0.826	S	S	*	*			trans	-61.2	114.5	165	-73.2	-174.2	179.2	178.2	0	110.7	E363 G367	E363-K365 PolarHBondContact O-N 2.97Å; K365-G367 PolarHBondContact O-N 2.75Å; K365-G367 VanDerWaalsContact O-N 3.11Å
366	A	34.7	Very low	36.3	Very low	112 Å²	112	151.2 Å²	151.2	93%	0.926	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	106.6	170.5	0	0	0	0	0	110.2	L364	L364-A366 PolarHBondContact O-N 2.87Å; L364-A366 VanDerWaalsContact O-N 3.13Å
367	G	43.8	Very low	36.7	Very low	74 Å²	74	151.6 Å²	151.6	76%	0.763	82%	0.817	S	S	*	*	T	Hydrogen-bonded Turn	trans	148.7	-3.2	173	0	0	0	0	0	117.8	K365 K369	K365-G367 PolarHBondContact O-N 2.75Å; K365-G367 VanDerWaalsContact O-N 3.11Å; G367-K369 PolarHBondContact O-N 3.39Å
368	A	35	Very low	37.3	Very low	89 Å²	89	145.9 Å²	145.9	74%	0.736	81%	0.806	S	S	*	*			trans	-74	123.3	-179	0	0	0	0	0	112.8	R370	A368-R370 PolarHBondContact O-N 3.2Å
369	K	42.3	Very low	37.6	Very low	206 Å²	206	148.2 Å²	148.2	90%	0.896	81%	0.808	S	S	*	*			trans	-57.8	105.8	174.5	-74.7	171.7	-178.4	157.8	0	110.1	G367 K371	G367-K369 PolarHBondContact O-N 3.39Å; K369-K371 PolarHBondContact O-N 3.33Å
370	R	46.2	Very low	38.3	Very low	241 Å²	241	146.3 Å²	146.3	91%	0.909	80%	0.803	S	S	*	*			trans	-51.5	95.5	177.3	-73.3	179.9	-179.8	172	-0.2	112.7	A368	A368-R370 PolarHBondContact O-N 3.2Å
371	K	43.5	Very low	38.5	Very low	148 Å²	148	143.5 Å²	143.5	64%	0.643	79%	0.785	S	S	*	*			trans	-133.4	93.1	154.4	-83	-172.3	173.9	-175.5	0	107.3	K369	K369-K371 PolarHBondContact O-N 3.33Å
372	R	39.2	Very low	39.2	Very low	217 Å²	217	140.8 Å²	140.8	82%	0.819	78%	0.782	S	S	*	*			trans	-61.9	136.7	162	-90.5	-171.6	179.7	179.7	-0.2	108.6
373	C	37.2	Very low	40.1	Very low	112 Å²	112	140.8 Å²	140.8	76%	0.757	78%	0.775	S	S	*	*			trans	-77.1	150.2	171.3	-153.3	0	0	0	0	109.4	K375	C373-K375 PolarHBondContact O-N 3.19Å
374	C	36.3	Very low	41	Very low	132 Å²	132	139.8 Å²	139.8	89%	0.892	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	30.7	-164.5	-55.6	0	0	0	0	115.9
375	K	40.5	Very low	41.8	Very low	192 Å²	192	134.5 Å²	134.5	84%	0.835	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-3.6	-171.8	-79.9	-164.5	174.3	-171.4	0	116.7	C373 A377	C373-K375 PolarHBondContact O-N 3.19Å; K375-A377 PolarHBondContact O-N 2.94Å
376	D	36.8	Very low	42.9	Very low	126 Å²	126	126.1 Å²	126.1	67%	0.674	70%	0.7	S	S	*	*			trans	-91.5	91.7	173.8	-54.2	-26.5	0	0	0	109.4	G378	D376-G378 PolarHBondContact O-N 2.89Å
377	A	38.5	Very low	44	Very low	108 Å²	108	120.9 Å²	120.9	89%	0.893	66%	0.657	S	S	*	*			trans	-76.5	58.6	172.3	0	0	0	0	0	110.8	K375	K375-A377 PolarHBondContact O-N 2.94Å
378	G	41.3	Very low	44.3	Very low	59 Å²	59	121.9 Å²	121.9	61%	0.608	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-72.3	147.1	160	0	0	0	0	0	109.5	D376	D376-G378 PolarHBondContact O-N 2.89Å
379	E	38.4	Very low	45.1	Very low	161 Å²	161	119.5 Å²	119.5	75%	0.752	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-47.3	133.7	171.6	-80	-173.4	157.3	0	0	109.6	P381	E379-P381 WeakPolarHBondContact O-CD 3.34Å; E379-P381 VanDerWaalsContact O-N 3.09Å
380	P	43.7	Very low	45.7	Very low	115 Å²	115	112.1 Å²	112.1	75%	0.747	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-57.8	123.5	178.9	22.1	-30.2	0	0	0	107.8	A382	P380-A382 PolarHBondContact O-N 2.82Å; P380-A382 VanDerWaalsContact O-N 3.14Å
381	P	44	Very low	46.5	Very low	54 Å²	54	103 Å²	103	35%	0.351	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-55.3	127.9	-177.3	19.6	-31.1	0	0	0	108.4	L176 L177 E379 K383	L176-P381 WeakPolarHBondContact CD2-O 3.45Å; L177-P381 HydrophobicContact CD2-CB 4.42Å; L177-P381 HydrophobicContact CD2-CG 3.91Å; L177-P381 HydrophobicContact CG-CG 4.16Å; E379-P381 WeakPolarHBondContact O-CD 3.34Å; E379-P381 VanDerWaalsContact O-N 3.09Å; P381-K383 PolarHBondContact O-N 2.9Å
382	A	49.1	Very low	47.4	Very low	85 Å²	85	102 Å²	102	70%	0.702	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-52.3	140.2	-180	0	0	0	0	0	109.4	P380 R384	P380-A382 PolarHBondContact O-N 2.82Å; P380-A382 VanDerWaalsContact O-N 3.14Å; A382-R384 PolarHBondContact O-N 3.4Å
383	K	52	Low	48.5	Very low	161 Å²	161	97.1 Å²	97.1	70%	0.7	56%	0.564	S	S	*	*			trans	-59.7	114.6	171.9	-71.5	179.6	-178	168.2	0	106.4	L176 P381 I385	L176-K383 HydrophobicContact CD1-CB 4.46Å; L176-K383 HydrophobicContact CD1-CG 3.84Å; L176-K383 HydrophobicContact CD2-CB 4.49Å; L176-K383 HydrophobicContact CD2-CG 3.78Å; L176-K383 HydrophobicContact CG-CG 4.48Å; P381-K383 PolarHBondContact O-N 2.9Å; K383-I385 PolarHBondContact O-N 2.98Å
384	R	52.5	Low	49.6	Very low	170 Å²	170	97.6 Å²	97.6	64%	0.642	56%	0.563	S	S	*	*			trans	-58.3	111.2	167.7	-70.7	-170.3	178.6	-166.2	-4.6	106.8	A382	A382-R384 PolarHBondContact O-N 3.4Å
385	I	53.7	Low	51.2	Low	64 Å²	64	93.2 Å²	93.2	33%	0.328	53%	0.534	S	S	.	.			trans	-64.1	138.4	175.8	-57.8	-179.1	0	0	0	106.4	K383 G387 T547 K608	K383-I385 PolarHBondContact O-N 2.98Å; I385-G387 PolarHBondContact O-N 3.34Å; I385-T547 HydrophobicContact CD1-CG2 3.38Å; I385-T547 HydrophobicContact CG2-CG2 4.01Å; I385-K608 HydrophobicContact CG2-CB 4.47Å; I385-K608 HydrophobicContact CG2-CD 4.1Å; I385-K608 HydrophobicContact CG2-CG 4.12Å
386	L	53.2	Low	52.7	Low	23 Å²	23	86.3 Å²	86.3	12%	0.12	51%	0.509	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	123.5	-160.1	-145.6	137.3	0	0	0	109.4	I187 W188 M413	I187-L386 HydrophobicContact CG2-CD2 4.49Å; W188-L386 WeakPolarHBondContact O-CD1 3.25Å; W188-L386 WeakPolarHBondContact O-CD2 3.42Å; W188-L386 WeakPolarHBondContact O-CG 3.44Å; L386-M413 HydrophobicContact CD2-CE 3.36Å
387	G	56.6	Low	54.7	Low	2 Å²	2	81.9 Å²	81.9	2%	0.021	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	151.5	-90.6	-168.5	0	0	0	0	0	108.9	I385 G389 T390	I385-G387 PolarHBondContact O-N 3.34Å; G387-G389 VanDerWaalsContact C-N 3.3Å; G387-G389 PolarHBondContact O-N 2.88Å; G387-T390 PolarHBondContact O-N 3.34Å; G387-T390 PolarHBondContact O-OG1 2.75Å
388	D	50.8	Low	57.1	Low	95 Å²	95	78.4 Å²	78.4	51%	0.508	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-65.5	-29.4	-177.3	-52.3	-51.2	0	0	0	113.2	T390 R391 K608	D388-T390 PolarHBondContact O-N 3.07Å; D388-T390 VanDerWaalsContact O-N 3.16Å; D388-R391 PolarHBondContact O-N 3.3Å; D388-K608 IonicContact OD2-NZ 3.62Å; D388-K608 PolarHBondContact OD2-NZ 3Å; D388-K608 VanDerWaalsContact OD2-NZ 3.14Å
389	G	51.2	Low	59.4	Low	39 Å²	39	76.9 Å²	76.9	40%	0.402	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-68.3	-12.5	179.5	0	0	0	0	0	115.9	G387	G387-G389 VanDerWaalsContact C-N 3.3Å; G387-G389 PolarHBondContact O-N 2.88Å
390	T	54.5	Low	61.8	Low	51 Å²	51	74.9 Å²	74.9	31%	0.313	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-105.8	-17.7	176	29.3	0	0	0	0	113.7	Q183 G387 D388	Q183-T390 HydrophobicContact CB-CG2 4.42Å; G387-T390 PolarHBondContact O-N 3.34Å; G387-T390 PolarHBondContact O-OG1 2.75Å; D388-T390 PolarHBondContact O-N 3.07Å; D388-T390 VanDerWaalsContact O-N 3.16Å
391	R	64.6	Low	64	Low	48 Å²	48	69.5 Å²	69.5	18%	0.181	38%	0.381	C	S	.	.	S	Bend	trans	-84.2	153.9	174.4	-61.9	-172.7	-169.6	-170.9	13.2	108.9	D388 D410 T412	D388-R391 PolarHBondContact O-N 3.3Å; R391-D410 IonicContact CZ-OD2 3.09Å; R391-D410 PolarHBondContact NH1-O 2.68Å; R391-D410 IonicContact NH1-OD2 2.99Å; R391-D410 PolarHBondContact NH1-OD2 3.36Å; R391-D410 PolarHBondContact NH2-O 3.34Å; R391-D410 IonicContact NH2-OD2 2.66Å; R391-T412 PolarHBondContact NH2-O 3.41Å; R391-T412 PolarHBondContact NH2-OG1 3.41Å
392	L	62	Low	65.9	Low	128 Å²	128	71 Å²	71	67%	0.67	39%	0.392	S	S	*	.			trans	-72	137.3	166.7	-70.6	170.5	0	0	0	107	T394 S395	L392-T394 PolarHBondContact O-N 3.4Å; L392-S395 PolarHBondContact O-N 3.19Å; L392-S395 PolarHBondContact O-OG 3.35Å
393	P	61.5	Low	67.6	Low	115 Å²	115	70.5 Å²	70.5	75%	0.747	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-23.4	178	-25.6	33.7	0	0	0	113.6
394	T	61.6	Low	69.1	Low	121 Å²	121	64.3 Å²	64.3	74%	0.742	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-6.1	-179.9	53.6	0	0	0	0	114.6	L392 P396	L392-T394 PolarHBondContact O-N 3.4Å; T394-P396 WeakPolarHBondContact O-CD 3.38Å
395	S	69.8	Low	70.7	Confident	40 Å²	40	58 Å²	58	28%	0.28	35%	0.348	S	S	.	.	S	Bend	trans	-76.4	121	179.4	64.8	0	0	0	0	110.3	L392	L392-S395 PolarHBondContact O-N 3.19Å; L392-S395 PolarHBondContact O-OG 3.35Å
396	P	70.7	Confident	72.6	Confident	47 Å²	47	55 Å²	55	31%	0.305	33%	0.332	S	S	.	.			trans	-66.5	137.3	178.9	27.8	-33.8	0	0	0	110.6	A336 T394 W399	A336-P396 HydrophobicContact CB-CB 3.63Å; A336-P396 HydrophobicContact CB-CG 3.94Å; T394-P396 WeakPolarHBondContact O-CD 3.38Å; P396-W399 HydrophobicContact CB-CZ2 4.34Å; P396-W399 HydrophobicContact CG-CZ2 4.1Å; P396-W399 WeakPolarHBondContact O-CH2 3.16Å; P396-W399 VanDerWaalsContact O-CZ2 3.29Å; P396-W399 WeakPolarHBondContact O-CZ2 3.33Å
397	V	79.6	Confident	74.5	Confident	34 Å²	34	55.3 Å²	55.3	21%	0.206	34%	0.335	C	S	.	.			trans	-109.5	-23.4	-178.8	-177.2	0	0	0	0	111.4	W399 D410	V397-W399 WeakPolarHBondContact O-CZ3 3.42Å; V397-D410 HydrophobicContact CG1-CB 4.36Å; V397-D410 WeakPolarHBondContact CG1-O 3.28Å; V397-D410 PolarHBondContact O-N 3.32Å
398	T	87.6	Confident	76.2	Confident	35 Å²	35	55.2 Å²	55.2	22%	0.215	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.6	-176.8	-64.6	0	0	0	0	109.6	M337 V407 I408 N409	M337-T398 HydrophobicContact CB-CG2 4.41Å; M337-T398 PolarHBondContact N-O 3.43Å; M337-T398 HydrophobicContact SD-CG2 4.06Å; T398-V407 HydrophobicContact CG2-CG1 3.61Å; T398-I408 CarbonylContact C-O 3.56Å; T398-I408 VanDerWaalsContact CA-O 3.28Å; T398-I408 WeakPolarHBondContact CA-O 3.11Å; T398-N409 WeakPolarHBondContact CB-OD1 3.39Å; T398-N409 WeakPolarHBondContact CG2-OD1 3.32Å; T398-N409 PolarHBondContact OG1-OD1 3.47Å
399	W	89.6	Confident	78.2	Confident	27 Å²	27	51.4 Å²	51.4	10%	0.102	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	138.2	172.9	-58.4	-92.5	0	0	0	109.7	L324 C333 E335 P396 V397 V407 I408 D410	L324-W399 HydrophobicContact CD1-CH2 4.41Å; L324-W399 HydrophobicContact CD1-CZ3 4.01Å; L324-W399 HydrophobicContact CD2-CH2 3.86Å; L324-W399 HydrophobicContact CD2-CZ3 4.28Å; C333-W399 HydrophobicContact CB-CB 3.97Å; E335-W399 CarbonylContact O-C 3.59Å; E335-W399 VanDerWaalsContact O-CA 3.27Å; E335-W399 WeakPolarHBondContact O-CA 3.37Å; P396-W399 HydrophobicContact CB-CZ2 4.34Å; P396-W399 HydrophobicContact CG-CZ2 4.1Å; P396-W399 WeakPolarHBondContact O-CH2 3.16Å; P396-W399 VanDerWaalsContact O-CZ2 3.29Å; P396-W399 WeakPolarHBondContact O-CZ2 3.33Å; V397-W399 WeakPolarHBondContact O-CZ3 3.42Å; W399-V407 CarbonylContact O-C 3.52Å; W399-V407 WeakPolarHBondContact O-CA 3.36Å; W399-I408 HydrophobicContact CB-CB 4.47Å; W399-I408 HydrophobicContact CE3-CB 4.26Å; W399-I408 HydrophobicContact CE3-CG2 4.14Å; W399-I408 PolarHBondContact N-O 3.44Å; W399-I408 PolarHBondContact O-N 3.02Å; W399-D410 HydrophobicContact CH2-CB 4.27Å; W399-D410 HydrophobicContact CZ3-CB 3.92Å
400	R	90.1	Very high	80.1	Confident	119 Å²	119	50 Å²	50	45%	0.449	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	145.4	176.9	-175.6	172.6	-174.5	-168.8	1.8	110.3	E335 M337 V407	E335-R400 PolarHBondContact N-O 3.28Å; E335-R400 PolarHBondContact O-N 2.95Å; M337-R400 HydrophobicContact CE-CB 4.02Å; M337-R400 HydrophobicContact CE-CG 4.46Å; R400-V407 HydrophobicContact CB-CG2 4.44Å; R400-V407 HydrophobicContact CG-CG2 4.08Å
401	S	89	Confident	81.8	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.007	29%	0.285	C	S	.	.			trans	-100.9	126.5	166.4	-180	0	0	0	0	109.8	C331 Q332 S403 T404 G405 I406	C331-S401 WeakPolarHBondContact O-CB 3.35Å; C331-S401 PolarHBondContact O-OG 2.89Å; Q332-S401 WeakPolarHBondContact O-CB 3.46Å; Q332-S401 PolarHBondContact O-OG 3.19Å; S401-S403 PolarHBondContact OG-N 2.95Å; S401-S403 PolarHBondContact OG-OG 3.31Å; S401-T404 WeakPolarHBondContact CB-OG1 3.32Å; S401-T404 PolarHBondContact OG-N 3.47Å; S401-T404 PolarHBondContact OG-OG1 3.16Å; S401-G405 VanDerWaalsContact O-CA 3.26Å; S401-G405 WeakPolarHBondContact O-CA 3.43Å; S401-G405 PolarHBondContact O-N 3.48Å; S401-G405 VanDerWaalsContact O-N 3.1Å; S401-I406 PolarHBondContact N-O 2.81Å
402	S	84.1	Confident	82.8	Confident	85 Å²	85	46.5 Å²	46.5	59%	0.594	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-26.8	174	-70.4	0	0	0	0	112.4	E335	E335-S402 PolarHBondContact OE1-OG 2.87Å; E335-S402 PolarHBondContact OE2-OG 3.13Å
403	S	84.2	Confident	84	Confident	76 Å²	76	41.1 Å²	41.1	53%	0.531	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-47.6	-179.8	55.6	0	0	0	0	113	Q332 S401	Q332-S403 PolarHBondContact OE1-OG 3.31Å; S401-S403 PolarHBondContact OG-N 2.95Å; S401-S403 PolarHBondContact OG-OG 3.31Å
404	T	84.2	Confident	85.2	Confident	30 Å²	30	36.6 Å²	36.6	18%	0.184	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-18.2	-175.7	63.7	0	0	0	0	113	K248 C331 S401 I406	K248-T404 WeakPolarHBondContact CD-O 3.35Å; C331-T404 PolarHBondContact O-OG1 3.25Å; S401-T404 WeakPolarHBondContact CB-OG1 3.32Å; S401-T404 PolarHBondContact OG-N 3.47Å; S401-T404 PolarHBondContact OG-OG1 3.16Å; T404-I406 HydrophobicContact CG2-CD1 4.48Å; T404-I406 PolarHBondContact O-N 3.28Å; T404-I406 WeakPolarHBondContact OG1-CB 3.15Å; T404-I406 WeakPolarHBondContact OG1-CG1 3.49Å; T404-I406 PolarHBondContact OG1-N 2.89Å
405	G	87.2	Confident	86.7	Confident	38 Å²	38	31 Å²	31	39%	0.392	19%	0.186	S	C	.	.			trans	71.9	7.7	-171.8	0	0	0	0	0	113.8	S401	S401-G405 VanDerWaalsContact O-CA 3.26Å; S401-G405 WeakPolarHBondContact O-CA 3.43Å; S401-G405 PolarHBondContact O-N 3.48Å; S401-G405 VanDerWaalsContact O-N 3.1Å
406	I	91.9	Very high	87.8	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.175	C	C	.	.			trans	-75	136	178.6	-62.4	169	0	0	0	109.8	K243 K248 L249 C331 C333 S401 T404	K243-I406 CarbonylContact O-C 3.57Å; K243-I406 WeakPolarHBondContact O-CA 3.3Å; K248-I406 HydrophobicContact CB-CD1 4.39Å; L249-I406 HydrophobicContact CD2-CD1 4.1Å; L249-I406 HydrophobicContact CD2-CG1 4.05Å; L249-I406 HydrophobicContact CD2-CG2 3.91Å; C331-I406 HydrophobicContact CB-CB 4.48Å; C331-I406 HydrophobicContact CB-CD1 4.32Å; C331-I406 HydrophobicContact CB-CG2 4.12Å; C333-I406 PolarHBondContact SG-O 3.14Å; S401-I406 PolarHBondContact N-O 2.81Å; T404-I406 HydrophobicContact CG2-CD1 4.48Å; T404-I406 PolarHBondContact O-N 3.28Å; T404-I406 WeakPolarHBondContact OG1-CB 3.15Å; T404-I406 WeakPolarHBondContact OG1-CG1 3.49Å; T404-I406 PolarHBondContact OG1-N 2.89Å
407	V	93	Very high	89	Confident	31 Å²	31	27.2 Å²	27.2	19%	0.188	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.6	175.1	-176.4	0	0	0	0	109.3	L242 K243 T398 W399 R400	L242-V407 WeakPolarHBondContact CA-O 3.25Å; K243-V407 HydrophobicContact CB-CB 4.36Å; K243-V407 PolarHBondContact N-O 3.04Å; K243-V407 PolarHBondContact O-N 2.81Å; T398-V407 HydrophobicContact CG2-CG1 3.61Å; W399-V407 CarbonylContact O-C 3.52Å; W399-V407 WeakPolarHBondContact O-CA 3.36Å; R400-V407 HydrophobicContact CB-CG2 4.44Å; R400-V407 HydrophobicContact CG-CG2 4.08Å
408	I	93.9	Very high	89.9	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.3	175.5	-52.4	-176.5	0	0	0	108.5	I240 E241 L242 L324 L327 Q328 C331 C333 T398 W399	I240-I408 HydrophobicContact CG2-CG2 3.82Å; E241-I408 CarbonylContact O-C 3.4Å; E241-I408 WeakPolarHBondContact O-CA 3.35Å; L242-I408 HydrophobicContact CD2-CB 4.17Å; L242-I408 HydrophobicContact CD2-CD1 4.27Å; L242-I408 HydrophobicContact CD2-CG1 3.65Å; L242-I408 HydrophobicContact CD2-CG2 4.05Å; L324-I408 HydrophobicContact CD1-CG2 4.22Å; L327-I408 HydrophobicContact CB-CD1 4.25Å; Q328-I408 HydrophobicContact CG-CD1 4.3Å; C331-I408 HydrophobicContact CB-CD1 4.16Å; C333-I408 HydrophobicContact CB-CD1 3.81Å; C333-I408 HydrophobicContact CB-CG1 4.17Å; T398-I408 CarbonylContact C-O 3.56Å; T398-I408 VanDerWaalsContact CA-O 3.28Å; T398-I408 WeakPolarHBondContact CA-O 3.11Å; W399-I408 HydrophobicContact CB-CB 4.47Å; W399-I408 HydrophobicContact CE3-CB 4.26Å; W399-I408 HydrophobicContact CE3-CG2 4.14Å; W399-I408 PolarHBondContact N-O 3.44Å; W399-I408 PolarHBondContact O-N 3.02Å
409	N	92	Very high	90.3	Very high	15 Å²	15	25.8 Å²	25.8	8%	0.08	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.1	174.8	-65.3	-33.6	0	0	0	110.8	E241 T398 L411	E241-N409 HydrophobicContact CB-CB 4.09Å; E241-N409 PolarHBondContact N-O 2.82Å; E241-N409 PolarHBondContact O-N 2.79Å; E241-N409 PolarHBondContact OE2-ND2 3.19Å; T398-N409 WeakPolarHBondContact CB-OD1 3.39Å; T398-N409 WeakPolarHBondContact CG2-OD1 3.32Å; T398-N409 PolarHBondContact OG1-OD1 3.47Å; N409-L411 HydrophobicContact CB-CD2 4.36Å; N409-L411 HydrophobicContact CB-CG 4.44Å; N409-L411 PolarHBondContact O-N 3.11Å
410	D	91.1	Very high	90.6	Very high	9 Å²	9	24.5 Å²	24.5	5%	0.048	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	86.9	174.5	177.7	31.9	0	0	0	112.1	K320 R391 V397 W399 T412	K320-D410 VanDerWaalsContact CE-OD1 3.25Å; K320-D410 WeakPolarHBondContact CE-OD1 3.48Å; K320-D410 WeakPolarHBondContact CE-OD2 3.26Å; K320-D410 IonicContact NZ-OD1 2.81Å; K320-D410 PolarHBondContact NZ-OD1 3.09Å; K320-D410 VanDerWaalsContact NZ-OD1 3.12Å; K320-D410 IonicContact NZ-OD2 3.03Å; K320-D410 PolarHBondContact NZ-OD2 2.98Å; R391-D410 IonicContact CZ-OD2 3.09Å; R391-D410 PolarHBondContact NH1-O 2.68Å; R391-D410 IonicContact NH1-OD2 2.99Å; R391-D410 PolarHBondContact NH1-OD2 3.36Å; R391-D410 PolarHBondContact NH2-O 3.34Å; R391-D410 IonicContact NH2-OD2 2.66Å; V397-D410 HydrophobicContact CG1-CB 4.36Å; V397-D410 WeakPolarHBondContact CG1-O 3.28Å; V397-D410 PolarHBondContact O-N 3.32Å; W399-D410 HydrophobicContact CH2-CB 4.27Å; W399-D410 HydrophobicContact CZ3-CB 3.92Å; D410-T412 PolarHBondContact O-N 3.29Å; D410-T412 VanDerWaalsContact OD1-CB 3.25Å; D410-T412 WeakPolarHBondContact OD1-CB 3.3Å; D410-T412 VanDerWaalsContact OD1-CG2 3.27Å; D410-T412 WeakPolarHBondContact OD1-CG2 2.97Å; D410-T412 PolarHBondContact OD1-N 3.06Å
411	L	89.4	Confident	90.8	Very high	13 Å²	13	19 Å²	19	7%	0.068	12%	0.122	C	C	.	.			trans	-78.8	30.4	178.9	-57.6	-177.2	0	0	0	113.4	C239 E241 N409 M413 E414 I415	C239-L411 HydrophobicContact CB-CB 4.11Å; C239-L411 CarbonylContact O-C 3.49Å; C239-L411 WeakPolarHBondContact O-CA 3.38Å; C239-L411 WeakPolarHBondContact O-CB 3.2Å; C239-L411 PolarHBondContact O-N 2.86Å; E241-L411 HydrophobicContact CB-CD1 3.72Å; E241-L411 HydrophobicContact CB-CG 4.16Å; E241-L411 HydrophobicContact CG-CD1 4.5Å; N409-L411 HydrophobicContact CB-CD2 4.36Å; N409-L411 HydrophobicContact CB-CG 4.44Å; N409-L411 PolarHBondContact O-N 3.11Å; L411-M413 PolarHBondContact O-N 3.25Å; L411-E414 HydrophobicContact CB-CB 4.11Å; L411-E414 HydrophobicContact CB-CG 4.3Å; L411-E414 HydrophobicContact CD2-CG 4.27Å; L411-E414 WeakPolarHBondContact O-CB 3.47Å; L411-E414 PolarHBondContact O-N 3.21Å; L411-E414 VanDerWaalsContact O-N 3.13Å; L411-I415 HydrophobicContact CD1-CD1 4.48Å
412	T	87.1	Confident	91	Very high	12 Å²	12	18.9 Å²	18.9	7%	0.074	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	122.8	175.5	131.2	0	0	0	0	111.6	C238 K320 R391 D410 E414	C238-T412 HydrophobicContact CB-CG2 3.41Å; C238-T412 VanDerWaalsContact CB-CG2 3.41Å; C238-T412 WeakPolarHBondContact SG-CG2 3.47Å; K320-T412 HydrophobicContact CD-CG2 3.95Å; K320-T412 VanDerWaalsContact NZ-CG2 3.33Å; R391-T412 PolarHBondContact NH2-O 3.41Å; R391-T412 PolarHBondContact NH2-OG1 3.41Å; D410-T412 PolarHBondContact O-N 3.29Å; D410-T412 VanDerWaalsContact OD1-CB 3.25Å; D410-T412 WeakPolarHBondContact OD1-CB 3.3Å; D410-T412 VanDerWaalsContact OD1-CG2 3.27Å; D410-T412 WeakPolarHBondContact OD1-CG2 2.97Å; D410-T412 PolarHBondContact OD1-N 3.06Å; T412-E414 PolarHBondContact O-N 3.02Å
413	M	85.8	Confident	91.3	Very high	15 Å²	15	15.9 Å²	15.9	7%	0.074	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	6	-177.5	-61.2	-67.1	-67.7	0	0	116.3	I187 L189 Y207 L386 L411	I187-M413 HydrophobicContact CG2-CE 4.43Å; L189-M413 HydrophobicContact CD2-CE 3.65Å; L189-M413 HydrophobicContact CD2-SD 3.77Å; Y207-M413 HydrophobicContact CE1-SD 3.89Å; L386-M413 HydrophobicContact CD2-CE 3.36Å; L411-M413 PolarHBondContact O-N 3.25Å
414	E	88.1	Confident	91.6	Very high	20 Å²	20	13.2 Å²	13.2	9%	0.093	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-29.6	174.7	-72.7	-58.9	124.4	0	0	113.3	L411 T412 R543 K608	L411-E414 HydrophobicContact CB-CB 4.11Å; L411-E414 HydrophobicContact CB-CG 4.3Å; L411-E414 HydrophobicContact CD2-CG 4.27Å; L411-E414 WeakPolarHBondContact O-CB 3.47Å; L411-E414 PolarHBondContact O-N 3.21Å; L411-E414 VanDerWaalsContact O-N 3.13Å; T412-E414 PolarHBondContact O-N 3.02Å; E414-R543 IonicContact OE2-NH1 2.75Å; E414-R543 PolarHBondContact OE2-NH1 2.85Å; E414-K608 WeakPolarHBondContact O-CB 3.34Å; E414-K608 PolarHBondContact O-N 2.96Å; E414-K608 WeakPolarHBondContact OE1-CE 3.47Å; E414-K608 IonicContact OE1-NZ 3.57Å; E414-K608 PolarHBondContact OE1-NZ 3.35Å; E414-K608 WeakPolarHBondContact OE2-CD 3.39Å; E414-K608 WeakPolarHBondContact OE2-CE 3.39Å; E414-K608 IonicContact OE2-NZ 2.77Å; E414-K608 PolarHBondContact OE2-NZ 3.06Å
415	I	91.9	Very high	92	Very high	4 Å²	4	11.8 Å²	11.8	2%	0.021	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.9	-177.2	-54.8	173.1	0	0	0	108.6	W312 W314 L411 L537 L605 L606	W312-I415 HydrophobicContact CD2-CD1 4.43Å; W312-I415 HydrophobicContact CE3-CD1 4.35Å; W312-I415 HydrophobicContact CH2-CD1 3.66Å; W312-I415 HydrophobicContact CZ2-CD1 3.71Å; W312-I415 HydrophobicContact CZ3-CD1 3.99Å; W314-I415 HydrophobicContact CH2-CB 3.87Å; W314-I415 HydrophobicContact CH2-CD1 4.44Å; W314-I415 HydrophobicContact CH2-CG2 3.71Å; W314-I415 HydrophobicContact CZ2-CG2 4.26Å; L411-I415 HydrophobicContact CD1-CD1 4.48Å; I415-L537 HydrophobicContact CG2-CD2 4.45Å; I415-L605 HydrophobicContact CG2-CB 4.1Å; I415-L606 CarbonylContact C-O 3.37Å; I415-L606 WeakPolarHBondContact CA-O 3.39Å; I415-L606 WeakPolarHBondContact CG2-O 3.13Å
416	V	94.1	Very high	92.1	Very high	6 Å²	6	10.3 Å²	10.3	4%	0.036	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	132.1	176.2	172.6	0	0	0	0	108.5	E190 S235 Y418 L605 L606	E190-V416 WeakPolarHBondContact OE1-CG2 3.43Å; S235-V416 VanDerWaalsContact OG-CG1 3.32Å; S235-V416 WeakPolarHBondContact OG-CG1 3.34Å; V416-Y418 HydrophobicContact CG1-CD1 4.04Å; V416-Y418 HydrophobicContact CG1-CD2 4.49Å; V416-Y418 HydrophobicContact CG1-CE1 3.49Å; V416-Y418 VanDerWaalsContact CG1-CE1 3.49Å; V416-Y418 HydrophobicContact CG1-CE2 3.99Å; V416-Y418 VanDerWaalsContact CG1-CZ 3.47Å; V416-L605 WeakPolarHBondContact O-CA 3.25Å; V416-L606 HydrophobicContact CB-CB 4.2Å; V416-L606 HydrophobicContact CG1-CD1 4.45Å; V416-L606 PolarHBondContact N-O 2.85Å; V416-L606 PolarHBondContact O-N 3.18Å
417	R	95.9	Very high	92.1	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.008	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	117.5	-179.3	-179	173.2	-175.9	177.2	5.2	110.7	L234 S235 R419 D603 L605	L234-R417 CarbonylContact C-O 3.51Å; L234-R417 WeakPolarHBondContact CA-O 3.39Å; L234-R417 HydrophobicContact CB-CG 4.28Å; L234-R417 PolarHBondContact N-O 3.16Å; S235-R417 PolarHBondContact N-O 3.27Å; S235-R417 PolarHBondContact OG-N 3.37Å; R417-R419 VanDerWaalsContact NH2-NH2 3.2Å; R417-D603 IonicContact CZ-OD2 3.57Å; R417-D603 IonicContact NE-OD2 3.13Å; R417-D603 PolarHBondContact NE-OD2 2.97Å; R417-D603 IonicContact NH2-OD2 3.12Å; R417-D603 PolarHBondContact NH2-OD2 3.22Å; R417-L605 HydrophobicContact CB-CD2 3.72Å; R417-L605 HydrophobicContact CG-CD2 3.57Å
418	Y	97.1	Very high	92.1	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.2	175.4	-66	-26.6	0	0	0	111.6	T191 Q232 D233 V416 D603 L604 L606 G611 F614 W615	T191-Y418 HydrophobicContact CG2-CE1 4.09Å; T191-Y418 WeakPolarHBondContact CG2-OH 3.32Å; Q232-Y418 WeakPolarHBondContact O-CA 3.29Å; D233-Y418 HydrophobicContact CB-CD1 4.4Å; D233-Y418 HydrophobicContact CB-CE1 4.33Å; V416-Y418 HydrophobicContact CG1-CD1 4.04Å; V416-Y418 HydrophobicContact CG1-CD2 4.49Å; V416-Y418 HydrophobicContact CG1-CE1 3.49Å; V416-Y418 VanDerWaalsContact CG1-CE1 3.49Å; V416-Y418 HydrophobicContact CG1-CE2 3.99Å; V416-Y418 VanDerWaalsContact CG1-CZ 3.47Å; Y418-D603 CarbonylContact O-C 3.5Å; Y418-D603 VanDerWaalsContact O-CA 3.29Å; Y418-D603 WeakPolarHBondContact O-CA 3.39Å; Y418-L604 PolarHBondContact N-O 3.03Å; Y418-L604 PolarHBondContact O-N 2.88Å; Y418-L606 HydrophobicContact CD2-CD1 3.83Å; Y418-L606 HydrophobicContact CE2-CD1 3.7Å; Y418-G611 WeakPolarHBondContact CE2-O 3.24Å; Y418-G611 WeakPolarHBondContact OH-CA 3.36Å; Y418-G611 PolarHBondContact OH-O 3.09Å; Y418-F614 HydrophobicContact CE2-CB 4.42Å; Y418-W615 AromaticContact CD1-CE3 3.89Å; Y418-W615 HydrophobicContact CD1-CE3 3.89Å; Y418-W615 AromaticContact CD1-CZ3 3.72Å; Y418-W615 HydrophobicContact CD1-CZ3 3.72Å; Y418-W615 HydrophobicContact CD2-CE3 4.14Å; Y418-W615 AromaticContact CE1-CE3 3.57Å; Y418-W615 HydrophobicContact CE1-CE3 3.57Å; Y418-W615 AromaticContact CE1-CZ3 3.72Å; Y418-W615 HydrophobicContact CE1-CZ3 3.72Å; Y418-W615 HydrophobicContact CE2-CB 4.39Å; Y418-W615 AromaticContact CE2-CE3 3.84Å; Y418-W615 HydrophobicContact CE2-CE3 3.84Å; Y418-W615 HydrophobicContact CG-CE3 4.15Å; Y418-W615 HydrophobicContact CG-CZ3 4.18Å; Y418-W615 AromaticContact CZ-CE3 3.53Å
419	R	96.4	Very high	92	Very high	39 Å²	39	9.2 Å²	9.2	15%	0.147	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	118.5	178.9	176.6	164.9	-65.1	167.9	0.8	110.9	L231 Q232 L234 R417 I421 D603	L231-R419 CarbonylContact C-O 3.59Å; L231-R419 WeakPolarHBondContact CA-O 3.17Å; Q232-R419 HydrophobicContact CB-CB 4.28Å; Q232-R419 PolarHBondContact N-O 3.33Å; Q232-R419 PolarHBondContact O-N 3.07Å; L234-R419 HydrophobicContact CD1-CB 3.62Å; L234-R419 HydrophobicContact CD1-CG 4.33Å; L234-R419 VanDerWaalsContact CD1-CZ 3.44Å; L234-R419 HydrophobicContact CG-CB 4.09Å; R417-R419 VanDerWaalsContact NH2-NH2 3.2Å; R419-I421 HydrophobicContact CG-CD1 4.02Å; R419-I421 HydrophobicContact CG-CG1 3.63Å; R419-D603 WeakPolarHBondContact CA-OD1 3.34Å; R419-D603 WeakPolarHBondContact CB-OD1 3.43Å; R419-D603 WeakPolarHBondContact CG-OD1 3.39Å; R419-D603 IonicContact CZ-OD1 2.67Å; R419-D603 IonicContact CZ-OD2 3.55Å; R419-D603 IonicContact NE-OD1 2.71Å; R419-D603 PolarHBondContact NE-OD1 2.93Å; R419-D603 IonicContact NE-OD2 2.79Å; R419-D603 PolarHBondContact NE-OD2 3.2Å; R419-D603 IonicContact NH2-OD1 3.49Å; R419-D603 IonicContact NH2-OD2 2.88Å; R419-D603 PolarHBondContact NH2-OD2 2.77Å
420	L	96	Very high	92	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	117	173.9	-69.2	89	0	0	0	108.8	L230 L231 V428 L429 G601 W602 L604 L618	L230-L420 CarbonylContact O-C 3.58Å; L230-L420 WeakPolarHBondContact O-CA 3.16Å; L231-L420 HydrophobicContact CD1-CD1 4.03Å; L231-L420 HydrophobicContact CD1-CG 3.95Å; L420-V428 HydrophobicContact CD2-CG1 4.09Å; L420-L429 HydrophobicContact CD1-CD2 4.27Å; L420-L429 HydrophobicContact CD2-CD2 3.91Å; L420-L429 HydrophobicContact CD2-CG 3.98Å; L420-G601 CarbonylContact O-C 2.78Å; L420-G601 WeakPolarHBondContact O-CA 2.99Å; L420-W602 PolarHBondContact N-O 3.08Å; L420-W602 PolarHBondContact O-N 3.21Å; L420-L604 HydrophobicContact CD1-CB 4.22Å; L420-L618 HydrophobicContact CD2-CD2 4.06Å
421	I	95.3	Very high	91.9	Very high	2 Å²	2	11 Å²	11	1%	0.01	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122.6	-174.7	-52.4	171.4	0	0	0	109.1	M225 C229 L230 Q232 R419	M225-I421 HydrophobicContact CB-CG2 4.46Å; M225-I421 HydrophobicContact CE-CG2 4.21Å; M225-I421 HydrophobicContact CG-CG2 4.28Å; C229-I421 CarbonylContact C-O 3.59Å; C229-I421 WeakPolarHBondContact CA-O 3.4Å; L230-I421 HydrophobicContact CB-CB 4.43Å; L230-I421 PolarHBondContact N-O 3.09Å; L230-I421 PolarHBondContact O-N 3.28Å; Q232-I421 HydrophobicContact CG-CD1 4.45Å; R419-I421 HydrophobicContact CG-CD1 4.02Å; R419-I421 HydrophobicContact CG-CG1 3.63Å
422	G	92.6	Very high	92	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.054	C	C	.	.	S	Bend	trans	141.6	165.2	171.4	0	0	0	0	0	112.8	M225 H228 Q424 S425 S600	M225-G422 VanDerWaalsContact O-CA 3.25Å; M225-G422 WeakPolarHBondContact O-CA 3.29Å; H228-G422 CarbonylContact O-C 3.55Å; H228-G422 WeakPolarHBondContact O-CA 3.18Å; G422-Q424 VanDerWaalsContact C-N 3.29Å; G422-Q424 PolarHBondContact O-N 2.73Å; G422-S425 WeakPolarHBondContact O-CB 3.31Å; G422-S425 PolarHBondContact O-N 3Å; G422-S425 PolarHBondContact O-OG 2.93Å; G422-S600 CarbonylContact C-O 3.54Å; G422-S600 PolarHBondContact N-O 3Å
423	P	90.3	Very high	92.3	Very high	22 Å²	22	10 Å²	10	14%	0.143	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-34.7	-174.6	24.7	-34.3	0	0	0	112.7	M225 S226 H228 S425 H426 S478	M225-P423 WeakPolarHBondContact O-CD 3.32Å; S226-P423 WeakPolarHBondContact O-CG 3.38Å; H228-P423 WeakPolarHBondContact O-CD 3.46Å; P423-S425 VanDerWaalsContact C-N 3.32Å; P423-S425 PolarHBondContact O-N 3.43Å; P423-H426 PolarHBondContact O-CE1 2.82Å; P423-H426 PolarHBondContact O-ND1 2.7Å; P423-H426 VanDerWaalsContact O-ND1 3.09Å; P423-S478 PolarHBondContact O-N 2.81Å; P423-S478 PolarHBondContact O-OG 3.46Å; P423-S478 VanDerWaalsContact O-OG 3.12Å
424	Q	90.3	Very high	92.4	Very high	20 Å²	20	12.7 Å²	12.7	9%	0.093	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	17.3	-177.1	-58.2	-175.7	-32.9	0	0	113.2	S227 H228 G422 H426 S427 V428	S227-Q424 VanDerWaalsContact O-CD 3.26Å; S227-Q424 PolarHBondContact O-OE1 3.31Å; H228-Q424 PolarHBondContact CD2-OE1 3.28Å; H228-Q424 PolarHBondContact O-N 3.37Å; H228-Q424 VanDerWaalsContact O-N 3.08Å; G422-Q424 VanDerWaalsContact C-N 3.29Å; G422-Q424 PolarHBondContact O-N 2.73Å; Q424-H426 VanDerWaalsContact C-N 3.3Å; Q424-H426 PolarHBondContact O-N 3.48Å; Q424-S427 PolarHBondContact O-N 2.82Å; Q424-V428 WeakPolarHBondContact O-CG2 3.48Å; Q424-V428 PolarHBondContact O-N 2.79Å; Q424-V428 VanDerWaalsContact O-N 3.1Å
425	S	92.7	Very high	92.6	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63.1	-35.3	179.2	54.8	0	0	0	0	112.6	G422 P423 L429 S478	G422-S425 WeakPolarHBondContact O-CB 3.31Å; G422-S425 PolarHBondContact O-N 3Å; G422-S425 PolarHBondContact O-OG 2.93Å; P423-S425 VanDerWaalsContact C-N 3.32Å; P423-S425 PolarHBondContact O-N 3.43Å; S425-L429 WeakPolarHBondContact O-CG 3.28Å; S425-L429 PolarHBondContact O-N 3.07Å; S425-S478 PolarHBondContact OG-OG 3.19Å
426	H	90	Very high	92.3	Very high	7 Å²	7	12.8 Å²	12.8	3%	0.032	7%	0.068	C	C	.	.	H	α-helix	trans	-68.4	-39	176.1	61.8	-84.2	0	0	0	111.2	P423 Q424 V428 L429 A430 L472 I475 Y476 S478	P423-H426 PolarHBondContact O-CE1 2.82Å; P423-H426 PolarHBondContact O-ND1 2.7Å; P423-H426 VanDerWaalsContact O-ND1 3.09Å; Q424-H426 VanDerWaalsContact C-N 3.3Å; Q424-H426 PolarHBondContact O-N 3.48Å; H426-V428 VanDerWaalsContact C-N 3.32Å; H426-V428 PolarHBondContact O-N 2.88Å; H426-L429 PolarHBondContact O-N 3.2Å; H426-L429 VanDerWaalsContact O-N 3.16Å; H426-A430 WeakPolarHBondContact O-CB 3.37Å; H426-A430 PolarHBondContact O-N 3.43Å; H426-L472 PolarHBondContact CD2-O 2.98Å; H426-L472 VanDerWaalsContact CD2-O 3.27Å; H426-I475 PolarHBondContact CD2-O 2.89Å; H426-I475 PolarHBondContact CE1-O 3.04Å; H426-I475 PolarHBondContact NE2-O 2.83Å; H426-Y476 PolarHBondContact CE1-O 2.97Å; H426-Y476 VanDerWaalsContact CE1-O 3.25Å; H426-S478 PolarHBondContact ND1-OG 3.42Å; H426-S478 VanDerWaalsContact ND1-OG 3.08Å
427	S	90.6	Very high	91.6	Very high	4 Å²	4	15.8 Å²	15.8	3%	0.028	9%	0.086	C	C	.	.	H	α-helix	trans	-65.9	-38.8	178.3	-20.9	0	0	0	0	110.9	Q424 E431	Q424-S427 PolarHBondContact O-N 2.82Å; S427-E431 WeakPolarHBondContact O-CB 3.44Å; S427-E431 WeakPolarHBondContact O-CG 3.46Å; S427-E431 PolarHBondContact O-N 2.96Å
428	V	92.8	Very high	90.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.8	-48.6	171.5	169	0	0	0	0	110.8	C229 L420 Q424 H426 E431 T432 A505 L618 R621 V623	C229-V428 HydrophobicContact CB-CG2 3.9Å; L420-V428 HydrophobicContact CD2-CG1 4.09Å; Q424-V428 WeakPolarHBondContact O-CG2 3.48Å; Q424-V428 PolarHBondContact O-N 2.79Å; Q424-V428 VanDerWaalsContact O-N 3.1Å; H426-V428 VanDerWaalsContact C-N 3.32Å; H426-V428 PolarHBondContact O-N 2.88Å; V428-E431 PolarHBondContact O-N 3.38Å; V428-T432 WeakPolarHBondContact O-CG2 3.19Å; V428-T432 PolarHBondContact O-N 2.96Å; V428-T432 VanDerWaalsContact O-N 3.08Å; V428-T432 PolarHBondContact O-OG1 2.82Å; V428-A505 HydrophobicContact CB-CB 4.36Å; V428-A505 HydrophobicContact CG2-CB 3.65Å; V428-L618 HydrophobicContact CG1-CD2 3.84Å; V428-R621 HydrophobicContact CG1-CB 4.34Å; V428-V623 HydrophobicContact CB-CG2 4.31Å; V428-V623 HydrophobicContact CG1-CG2 3.43Å; V428-V623 VanDerWaalsContact CG1-CG2 3.43Å; V428-V623 HydrophobicContact CG2-CG2 3.87Å
429	L	93.6	Very high	89.3	Confident	3 Å²	3	20 Å²	20	2%	0.016	11%	0.113	C	C	.	.	H	α-helix	trans	-61	-48.4	179.9	-73.8	169.2	0	0	0	111.2	L420 S425 H426 E431 T432 L433 L583 W602 L604 L618	L420-L429 HydrophobicContact CD1-CD2 4.27Å; L420-L429 HydrophobicContact CD2-CD2 3.91Å; L420-L429 HydrophobicContact CD2-CG 3.98Å; S425-L429 WeakPolarHBondContact O-CG 3.28Å; S425-L429 PolarHBondContact O-N 3.07Å; H426-L429 PolarHBondContact O-N 3.2Å; H426-L429 VanDerWaalsContact O-N 3.16Å; L429-E431 VanDerWaalsContact C-N 3.33Å; L429-E431 PolarHBondContact O-N 3.33Å; L429-T432 WeakPolarHBondContact CA-OG1 3.47Å; L429-T432 PolarHBondContact O-N 2.67Å; L429-T432 PolarHBondContact O-OG1 3.12Å; L429-L433 HydrophobicContact CD2-CD1 4.06Å; L429-L433 WeakPolarHBondContact O-CB 3.18Å; L429-L433 WeakPolarHBondContact O-CG 3.41Å; L429-L433 PolarHBondContact O-N 3.03Å; L429-L583 HydrophobicContact CD1-CD2 4.09Å; L429-L583 HydrophobicContact CD2-CD2 4.37Å; L429-W602 HydrophobicContact CD1-CB 3.7Å; L429-W602 HydrophobicContact CD1-CD2 4.42Å; L429-W602 HydrophobicContact CD1-CG 3.78Å; L429-L604 HydrophobicContact CD2-CD2 4.44Å; L429-L618 HydrophobicContact CD2-CD2 4.43Å
430	A	90.3	Very high	87.4	Confident	16 Å²	16	25 Å²	25	13%	0.132	14%	0.143	C	C	.	.	H	α-helix	trans	-66.2	-29	-179.7	0	0	0	0	0	113.9	H426 F469 K473	H426-A430 WeakPolarHBondContact O-CB 3.37Å; H426-A430 PolarHBondContact O-N 3.43Å; A430-F469 HydrophobicContact CB-CE1 4.41Å; A430-F469 HydrophobicContact CB-CZ 4.21Å; A430-K473 HydrophobicContact CB-CB 4.07Å; A430-K473 HydrophobicContact CB-CD 4.5Å; A430-K473 HydrophobicContact CB-CG 3.75Å
431	E	89.4	Confident	85.5	Confident	47 Å²	47	30.9 Å²	30.9	22%	0.22	17%	0.17	C	C	.	.	H	α-helix	trans	-79.3	-21.9	171.6	-79.9	-169.4	-148.3	0	0	113.5	S427 V428 L429 A505 A506 R621	S427-E431 WeakPolarHBondContact O-CB 3.44Å; S427-E431 WeakPolarHBondContact O-CG 3.46Å; S427-E431 PolarHBondContact O-N 2.96Å; V428-E431 PolarHBondContact O-N 3.38Å; L429-E431 VanDerWaalsContact C-N 3.33Å; L429-E431 PolarHBondContact O-N 3.33Å; E431-A505 VanDerWaalsContact OE1-CA 3.24Å; E431-A505 WeakPolarHBondContact OE1-CA 3.23Å; E431-A505 WeakPolarHBondContact OE1-CB 3.33Å; E431-A506 PolarHBondContact OE1-N 2.98Å; E431-R621 VanDerWaalsContact O-CZ 3.23Å; E431-R621 PolarHBondContact O-NE 3.44Å; E431-R621 PolarHBondContact O-NH2 3.49Å; E431-R621 WeakPolarHBondContact OE2-CD 3.48Å; E431-R621 IonicContact OE2-CZ 3.3Å; E431-R621 IonicContact OE2-NE 2.7Å; E431-R621 IonicContact OE2-NH1 3.81Å; E431-R621 PolarHBondContact OE2-NH1 3.49Å
432	T	91.8	Very high	83.5	Confident	1 Å²	1	39 Å²	39	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-91.5	-41.7	178.5	48.3	0	0	0	0	114	V428 L429 T497 P617 L618 R621	V428-T432 WeakPolarHBondContact O-CG2 3.19Å; V428-T432 PolarHBondContact O-N 2.96Å; V428-T432 VanDerWaalsContact O-N 3.08Å; V428-T432 PolarHBondContact O-OG1 2.82Å; L429-T432 WeakPolarHBondContact CA-OG1 3.47Å; L429-T432 PolarHBondContact O-N 2.67Å; L429-T432 PolarHBondContact O-OG1 3.12Å; T432-T497 PolarHBondContact O-OG1 2.86Å; T432-P617 HydrophobicContact CG2-CB 4.32Å; T432-L618 HydrophobicContact CG2-CD2 3.81Å; T432-L618 HydrophobicContact CG2-CG 4.38Å; T432-R621 HydrophobicContact CG2-CB 4.24Å; T432-R621 HydrophobicContact CG2-CG 3.36Å
433	L	92.6	Very high	81.7	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.01	25%	0.247	C	C	.	.			trans	-100.8	134.2	-171.6	-55.4	-176.8	0	0	0	108.8	L429 F469 V491 P494 L604 F614	L429-L433 HydrophobicContact CD2-CD1 4.06Å; L429-L433 WeakPolarHBondContact O-CB 3.18Å; L429-L433 WeakPolarHBondContact O-CG 3.41Å; L429-L433 PolarHBondContact O-N 3.03Å; L433-F469 HydrophobicContact CB-CZ 4.07Å; L433-V491 HydrophobicContact CB-CG1 4.12Å; L433-V491 HydrophobicContact CD1-CG1 4.42Å; L433-P494 HydrophobicContact CD2-CB 4.2Å; L433-L604 HydrophobicContact CD1-CD1 4.42Å; L433-F614 HydrophobicContact CD2-CD1 3.78Å; L433-F614 HydrophobicContact CD2-CE1 3.46Å; L433-F614 VanDerWaalsContact CD2-CE1 3.46Å
434	E	89.4	Confident	80.2	Confident	72 Å²	72	51.4 Å²	51.4	34%	0.336	28%	0.279	S	S	.	.			trans	-118.7	137.2	169.5	-72.4	176.3	-178.6	0	0	107.5	V491 D492 T497 R569	E434-V491 VanDerWaalsContact O-CA 3.26Å; E434-V491 WeakPolarHBondContact O-CA 3.35Å; E434-V491 WeakPolarHBondContact O-CB 3.32Å; E434-D492 PolarHBondContact O-N 2.79Å; E434-T497 HydrophobicContact CB-CG2 4.5Å; E434-T497 VanDerWaalsContact CD-CG2 3.41Å; E434-T497 HydrophobicContact CG-CG2 3.92Å; E434-T497 WeakPolarHBondContact OE2-CG2 3.48Å; E434-R569 IonicContact OE1-CZ 2.77Å; E434-R569 IonicContact OE1-NH1 3.49Å; E434-R569 PolarHBondContact OE1-NH1 3.46Å; E434-R569 IonicContact OE1-NH2 3.83Å; E434-R569 PolarHBondContact OE1-NH2 2.93Å; E434-R569 IonicContact OE2-CZ 3.16Å; E434-R569 IonicContact OE2-NH1 3.04Å; E434-R569 PolarHBondContact OE2-NH1 2.79Å; E434-R569 IonicContact OE2-NH2 2.65Å
435	A	90.6	Very high	79	Confident	22 Å²	22	51.1 Å²	51.1	18%	0.182	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-60.6	142.1	174.9	0	0	0	0	0	109.6	T437 T466 L489	A435-T437 PolarHBondContact O-N 2.78Å; A435-T466 HydrophobicContact CB-CG2 3.68Å; A435-T466 WeakPolarHBondContact CB-OG1 3.29Å; A435-L489 HydrophobicContact CB-CD1 4.2Å
436	A	86.9	Confident	78.1	Confident	4 Å²	4	55.7 Å²	55.7	3%	0.033	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-58	131	-177.4	0	0	0	0	0	111.7	W449 H462 T490 D492	A436-W449 HydrophobicContact CB-CH2 4.21Å; A436-W449 HydrophobicContact CB-CZ2 3.62Å; A436-H462 PolarHBondContact O-NE2 2.61Å; A436-T490 HydrophobicContact CB-CG2 3.89Å; A436-T490 PolarHBondContact N-O 3.3Å; A436-D492 VanDerWaalsContact CA-OD1 3.3Å; A436-D492 WeakPolarHBondContact CA-OD1 3.47Å
437	T	79.9	Confident	77.7	Confident	68 Å²	68	56.6 Å²	56.6	42%	0.417	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-69.5	141.3	175.3	75.9	0	0	0	0	110.3	A435 W449 R578	A435-T437 PolarHBondContact O-N 2.78Å; T437-W449 PolarHBondContact O-NE1 2.76Å; T437-R578 PolarHBondContact O-NH2 2.99Å; T437-R578 VanDerWaalsContact OG1-CZ 3.3Å; T437-R578 PolarHBondContact OG1-NH1 2.89Å; T437-R578 PolarHBondContact OG1-NH2 2.97Å
438	V	76.3	Confident	77.5	Confident	67 Å²	67	57.6 Å²	57.6	41%	0.406	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-65.2	137.8	176.8	-170.1	0	0	0	0	109.1	M459	V438-M459 HydrophobicContact CB-CE 4.13Å; V438-M459 HydrophobicContact CG1-CE 3.65Å; V438-M459 HydrophobicContact CG1-SD 4.27Å; V438-M459 HydrophobicContact CG2-CE 3.46Å; V438-M459 VanDerWaalsContact CG2-CE 3.46Å
439	C	66.9	Low	77.1	Confident	23 Å²	23	57.6 Å²	57.6	16%	0.155	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-94.9	117.8	173.7	-75.7	0	0	0	0	108.9
440	D	57.5	Low	76.6	Confident	146 Å²	146	58 Å²	58	78%	0.781	32%	0.319	S	S	*	.			trans	-87.2	-7.1	176.9	-65.6	-33	0	0	0	112.9
441	E	55.1	Low	76.2	Confident	122 Å²	122	62.6 Å²	62.6	57%	0.57	34%	0.337	S	S	*	.			trans	-85.7	120.2	-172.3	-67	-168.4	-176.7	0	0	113.6	K443	E441-K443 PolarHBondContact O-N 3.02Å; E441-K443 VanDerWaalsContact O-N 3.12Å
442	L	53.2	Low	75.8	Confident	173 Å²	173	61 Å²	61	91%	0.906	33%	0.33	S	S	*	.			trans	-70.2	9.1	178.6	-84.6	112.4	0	0	0	116.2
443	K	56.2	Low	75.4	Confident	165 Å²	165	61.8 Å²	61.8	72%	0.717	34%	0.336	S	S	*	.	S	Bend	trans	-81.9	135.1	-175.8	-66.8	179.2	-178.4	172.5	0	111.1	E441 S445	E441-K443 PolarHBondContact O-N 3.02Å; E441-K443 VanDerWaalsContact O-N 3.12Å; K443-S445 PolarHBondContact O-N 3Å; K443-S445 VanDerWaalsContact O-N 3.16Å
444	S	57.6	Low	75	Confident	117 Å²	117	68 Å²	68	82%	0.818	36%	0.362	S	S	*	.			trans	-63.3	116.9	174.3	67	0	0	0	0	109.7
445	S	65.9	Low	74.8	Confident	14 Å²	14	68.8 Å²	68.8	10%	0.098	37%	0.369	C	S	.	.			trans	-114.4	149.2	177.3	75.1	0	0	0	0	109.8	K443 F447 P450	K443-S445 PolarHBondContact O-N 3Å; K443-S445 VanDerWaalsContact O-N 3.16Å; S445-F447 PolarHBondContact O-N 3.08Å; S445-F447 VanDerWaalsContact O-N 3.07Å; S445-F447 PolarHBondContact OG-N 3.43Å; S445-P450 WeakPolarHBondContact OG-CB 3.43Å; S445-P450 WeakPolarHBondContact OG-CG 3.36Å
446	P	73.3	Confident	74.7	Confident	97 Å²	97	78 Å²	78	63%	0.63	40%	0.399	S	S	*	.	S	Bend	trans	-72.3	6.5	173	32.8	-37	0	0	0	113.7	N545	P446-N545 PolarHBondContact O-ND2 3.13Å
447	F	81.5	Confident	74.7	Confident	25 Å²	25	82.3 Å²	82.3	11%	0.11	43%	0.429	C	S	.	.	S	Bend	trans	-95.1	143	-177.5	-53	-55.1	0	0	0	110.8	S445 W449 P450 N549 Q575 Q576	S445-F447 PolarHBondContact O-N 3.08Å; S445-F447 VanDerWaalsContact O-N 3.07Å; S445-F447 PolarHBondContact OG-N 3.43Å; F447-W449 VanDerWaalsContact C-N 3.32Å; F447-W449 PolarHBondContact O-N 3.35Å; F447-P450 HydrophobicContact CB-CG 4.44Å; F447-P450 WeakPolarHBondContact O-CD 3.01Å; F447-N549 HydrophobicContact CD1-CB 4.26Å; F447-N549 HydrophobicContact CE1-CB 4.05Å; F447-Q575 HydrophobicContact CD2-CB 3.92Å; F447-Q575 HydrophobicContact CE2-CB 4.21Å; F447-Q576 HydrophobicContact CD1-CG 4.18Å; F447-Q576 HydrophobicContact CE1-CB 4.39Å; F447-Q576 HydrophobicContact CE1-CG 3.38Å; F447-Q576 HydrophobicContact CE2-CG 3.96Å; F447-Q576 HydrophobicContact CZ-CG 3.26Å
448	W	86.1	Confident	75	Confident	25 Å²	25	81 Å²	81	10%	0.095	42%	0.419	C	S	.	.	H	α-helix	trans	-65.8	-31.4	-178.9	76.6	-83	0	0	0	113.5	H452 T490 F536 V542 N545 R578 P580	W448-H452 HydrophobicContact CE3-CB 4.26Å; W448-H452 HydrophobicContact CZ3-CB 4.37Å; W448-H452 WeakPolarHBondContact O-CB 3.32Å; W448-H452 PolarHBondContact O-N 2.96Å; W448-H452 VanDerWaalsContact O-N 3.1Å; W448-T490 HydrophobicContact CH2-CG2 3.79Å; W448-T490 HydrophobicContact CZ2-CG2 3.86Å; W448-F536 HydrophobicContact CH2-CB 4.18Å; W448-F536 HydrophobicContact CH2-CD2 4.27Å; W448-F536 HydrophobicContact CH2-CG 4.36Å; W448-F536 HydrophobicContact CZ3-CB 3.92Å; W448-F536 HydrophobicContact CZ3-CD2 4.05Å; W448-F536 AromaticContact CZ3-CG 3.88Å; W448-F536 HydrophobicContact CZ3-CG 3.88Å; W448-V542 HydrophobicContact CD2-CG1 3.7Å; W448-V542 HydrophobicContact CE3-CG1 3.95Å; W448-V542 HydrophobicContact CE3-CG2 4.34Å; W448-V542 HydrophobicContact CG-CG1 4.07Å; W448-V542 HydrophobicContact CH2-CG1 4.49Å; W448-V542 HydrophobicContact CZ2-CG1 4.31Å; W448-V542 HydrophobicContact CZ3-CG1 4.32Å; W448-N545 PolarHBondContact N-OD1 3.19Å; W448-R578 PolarHBondContact NE1-O 3.11Å; W448-P580 HydrophobicContact CH2-CB 4.21Å; W448-P580 HydrophobicContact CH2-CG 4.37Å; W448-P580 HydrophobicContact CZ2-CB 4.35Å; W448-P580 HydrophobicContact CZ2-CG 4.13Å
449	W	85.5	Confident	75.6	Confident	1 Å²	1	78.7 Å²	78.7	0%	0.004	41%	0.405	C	S	.	.	H	α-helix	trans	-70.2	-45.4	-172.1	-176.1	-108.3	0	0	0	113.9	A436 T437 F447 E451 H452 C453 H462 T490 R578	A436-W449 HydrophobicContact CB-CH2 4.21Å; A436-W449 HydrophobicContact CB-CZ2 3.62Å; T437-W449 PolarHBondContact O-NE1 2.76Å; F447-W449 VanDerWaalsContact C-N 3.32Å; F447-W449 PolarHBondContact O-N 3.35Å; W449-E451 VanDerWaalsContact C-N 3.31Å; W449-E451 PolarHBondContact O-N 3.09Å; W449-H452 HydrophobicContact CE3-CB 4.47Å; W449-H452 AromaticContact CE3-ND1 3.68Å; W449-H452 AromaticContact CZ3-CE1 3.77Å; W449-H452 AromaticContact CZ3-ND1 3.36Å; W449-H452 WeakPolarHBondContact CZ3-ND1 3.17Å; W449-H452 WeakPolarHBondContact O-CB 3.26Å; W449-H452 PolarHBondContact O-N 3.5Å; W449-C453 PolarHBondContact NE1-SG 2.81Å; W449-C453 PolarHBondContact O-N 2.9Å; W449-C453 PolarHBondContact O-SG 3.35Å; W449-C453 VanDerWaalsContact O-SG 3.35Å; W449-H462 AromaticContact CH2-CE1 3.91Å; W449-H462 AromaticContact CH2-CG 3.94Å; W449-H462 AromaticContact CH2-ND1 3.76Å; W449-T490 HydrophobicContact CD2-CG2 4.38Å; W449-T490 HydrophobicContact CE3-CG2 3.8Å; W449-T490 HydrophobicContact CH2-CG2 3.88Å; W449-T490 HydrophobicContact CZ2-CG2 4.45Å; W449-T490 HydrophobicContact CZ3-CG2 3.53Å; W449-R578 HydrophobicContact CB-CB 3.92Å; W449-R578 HydrophobicContact CB-CG 3.95Å; W449-R578 HydrophobicContact CD2-CB 4.3Å; W449-R578 HydrophobicContact CD2-CG 4.4Å; W449-R578 HydrophobicContact CG-CB 3.89Å; W449-R578 HydrophobicContact CG-CG 3.7Å
450	P	83.3	Confident	76.8	Confident	10 Å²	10	84.1 Å²	84.1	7%	0.065	43%	0.426	C	S	.	.	H	α-helix	trans	-63.3	-34.1	176.5	-29	41.2	0	0	0	113.8	S445 F447 C453 K454	S445-P450 WeakPolarHBondContact OG-CB 3.43Å; S445-P450 WeakPolarHBondContact OG-CG 3.36Å; F447-P450 HydrophobicContact CB-CG 4.44Å; F447-P450 WeakPolarHBondContact O-CD 3.01Å; P450-C453 PolarHBondContact O-N 2.92Å; P450-K454 PolarHBondContact O-N 2.66Å
451	E	81.1	Confident	78.3	Confident	113 Å²	113	78.4 Å²	78.4	53%	0.528	40%	0.395	S	S	.	.	H	α-helix	trans	-63.6	-45.9	172.3	-65.6	-175.9	161	0	0	111	W449 C453 K454	W449-E451 VanDerWaalsContact C-N 3.31Å; W449-E451 PolarHBondContact O-N 3.09Å; E451-C453 VanDerWaalsContact C-N 3.3Å; E451-C453 PolarHBondContact O-N 3.12Å; E451-K454 VanDerWaalsContact O-CB 3.3Å; E451-K454 WeakPolarHBondContact O-CB 3.49Å; E451-K454 PolarHBondContact O-N 2.99Å; E451-K454 VanDerWaalsContact O-N 3.1Å
452	H	81.2	Confident	80.1	Confident	14 Å²	14	73 Å²	73	7%	0.065	37%	0.369	C	S	.	.	H	α-helix	trans	-62.7	-34.5	177.3	179.8	-94.4	0	0	0	113.4	W448 W449 K454 D455 N458 F536	W448-H452 HydrophobicContact CE3-CB 4.26Å; W448-H452 HydrophobicContact CZ3-CB 4.37Å; W448-H452 WeakPolarHBondContact O-CB 3.32Å; W448-H452 PolarHBondContact O-N 2.96Å; W448-H452 VanDerWaalsContact O-N 3.1Å; W449-H452 HydrophobicContact CE3-CB 4.47Å; W449-H452 AromaticContact CE3-ND1 3.68Å; W449-H452 AromaticContact CZ3-CE1 3.77Å; W449-H452 AromaticContact CZ3-ND1 3.36Å; W449-H452 WeakPolarHBondContact CZ3-ND1 3.17Å; W449-H452 WeakPolarHBondContact O-CB 3.26Å; W449-H452 PolarHBondContact O-N 3.5Å; H452-K454 PolarHBondContact O-N 2.93Å; H452-D455 PolarHBondContact O-N 2.96Å; H452-N458 PolarHBondContact CD2-ND2 2.84Å; H452-N458 VanDerWaalsContact CD2-ND2 3.32Å; H452-N458 VanDerWaalsContact CE1-CB 3.49Å; H452-N458 WeakPolarHBondContact CE1-CB 3.45Å; H452-N458 VanDerWaalsContact NE2-CB 3.29Å; H452-N458 WeakPolarHBondContact NE2-CB 3.41Å; H452-N458 PolarHBondContact NE2-ND2 3.34Å; H452-F536 AromaticContact CD2-CE1 3.65Å; H452-F536 AromaticContact CD2-CZ 3.64Å; H452-F536 AromaticContact CE1-CE2 3.57Å; H452-F536 AromaticContact CE1-CZ 3.65Å; H452-F536 AromaticContact NE2-CD2 3.99Å; H452-F536 AromaticContact NE2-CE1 3.3Å; H452-F536 VanDerWaalsContact NE2-CE1 3.3Å; H452-F536 WeakPolarHBondContact NE2-CE1 3.47Å; H452-F536 AromaticContact NE2-CE2 3.17Å; H452-F536 WeakPolarHBondContact NE2-CE2 3.45Å; H452-F536 AromaticContact NE2-CZ 2.79Å; H452-F536 WeakPolarHBondContact NE2-CZ 3.28Å
453	C	82.9	Confident	81.9	Confident	18 Å²	18	70 Å²	70	12%	0.122	35%	0.351	C	S	.	.	H	α-helix	trans	-66.4	-21.1	175.3	-73.4	0	0	0	0	113.7	W449 P450 E451 D455 M459	W449-C453 PolarHBondContact NE1-SG 2.81Å; W449-C453 PolarHBondContact O-N 2.9Å; W449-C453 PolarHBondContact O-SG 3.35Å; W449-C453 VanDerWaalsContact O-SG 3.35Å; P450-C453 PolarHBondContact O-N 2.92Å; E451-C453 VanDerWaalsContact C-N 3.3Å; E451-C453 PolarHBondContact O-N 3.12Å; C453-D455 PolarHBondContact O-N 3.35Å; C453-M459 HydrophobicContact CB-SD 4.04Å; C453-M459 WeakPolarHBondContact O-CG 3.06Å
454	K	84	Confident	83.6	Confident	132 Å²	132	65.7 Å²	65.7	57%	0.574	33%	0.333	S	S	*	.	H	α-helix	trans	-66	-29.7	176.4	-64.2	173.3	-177.2	175.6	0	111.8	P450 E451 H452 R456	P450-K454 PolarHBondContact O-N 2.66Å; E451-K454 VanDerWaalsContact O-CB 3.3Å; E451-K454 WeakPolarHBondContact O-CB 3.49Å; E451-K454 PolarHBondContact O-N 2.99Å; E451-K454 VanDerWaalsContact O-N 3.1Å; H452-K454 PolarHBondContact O-N 2.93Å; K454-R456 PolarHBondContact O-N 3.48Å
455	D	86.8	Confident	85.3	Confident	89 Å²	89	60.2 Å²	60.2	48%	0.476	30%	0.295	S	S	.	.			trans	-79.6	114.7	-179.4	-69.3	-27.9	0	0	0	111.6	H452 C453 S457 N458 M459	H452-D455 PolarHBondContact O-N 2.96Å; C453-D455 PolarHBondContact O-N 3.35Å; D455-S457 VanDerWaalsContact C-N 3.27Å; D455-S457 PolarHBondContact O-N 3.3Å; D455-N458 HydrophobicContact CB-CB 3.85Å; D455-N458 VanDerWaalsContact CB-ND2 3.31Å; D455-N458 WeakPolarHBondContact CB-ND2 3.41Å; D455-N458 PolarHBondContact O-N 3.19Å; D455-N458 PolarHBondContact OD2-ND2 3.39Å; D455-M459 PolarHBondContact O-N 3.03Å; D455-M459 VanDerWaalsContact O-N 3.14Å
456	R	87.1	Confident	86.6	Confident	214 Å²	214	60.8 Å²	60.8	81%	0.808	30%	0.298	S	S	*	.	H	α-helix	trans	-61.4	-34.2	-179.1	-61.2	-174.8	105.7	-177.6	7.1	113	K454 M459 K460	K454-R456 PolarHBondContact O-N 3.48Å; R456-M459 PolarHBondContact O-N 3.31Å; R456-K460 WeakPolarHBondContact O-CG 3.32Å; R456-K460 PolarHBondContact O-N 3.39Å; R456-K460 VanDerWaalsContact O-N 3.09Å
457	S	87.6	Confident	87.5	Confident	96 Å²	96	60.9 Å²	60.9	67%	0.671	29%	0.293	S	S	*	.	H	α-helix	trans	-66.2	-43.8	179.1	-58.3	0	0	0	0	111.9	D455 M459 K460 L461	D455-S457 VanDerWaalsContact C-N 3.27Å; D455-S457 PolarHBondContact O-N 3.3Å; S457-M459 VanDerWaalsContact C-N 3.31Å; S457-M459 PolarHBondContact O-N 3.02Å; S457-K460 PolarHBondContact O-N 3Å; S457-L461 PolarHBondContact O-N 3Å
458	N	86.5	Confident	88	Confident	39 Å²	39	60.7 Å²	60.7	21%	0.209	29%	0.294	C	S	.	.	H	α-helix	trans	-64	-38	177.5	-77.1	-15.9	0	0	0	111.8	H452 D455 L461 H462	H452-N458 PolarHBondContact CD2-ND2 2.84Å; H452-N458 VanDerWaalsContact CD2-ND2 3.32Å; H452-N458 VanDerWaalsContact CE1-CB 3.49Å; H452-N458 WeakPolarHBondContact CE1-CB 3.45Å; H452-N458 VanDerWaalsContact NE2-CB 3.29Å; H452-N458 WeakPolarHBondContact NE2-CB 3.41Å; H452-N458 PolarHBondContact NE2-ND2 3.34Å; D455-N458 HydrophobicContact CB-CB 3.85Å; D455-N458 VanDerWaalsContact CB-ND2 3.31Å; D455-N458 WeakPolarHBondContact CB-ND2 3.41Å; D455-N458 PolarHBondContact O-N 3.19Å; D455-N458 PolarHBondContact OD2-ND2 3.39Å; N458-L461 PolarHBondContact O-N 3.04Å; N458-H462 PolarHBondContact O-N 3.37Å
459	M	88.5	Confident	88.2	Confident	20 Å²	20	60 Å²	60	10%	0.099	29%	0.292	C	S	.	.	H	α-helix	trans	-68.1	-40.3	175.1	-73.1	-50.6	-43.8	0	0	113.5	V438 C453 D455 R456 S457 L461 H462 Q463	V438-M459 HydrophobicContact CB-CE 4.13Å; V438-M459 HydrophobicContact CG1-CE 3.65Å; V438-M459 HydrophobicContact CG1-SD 4.27Å; V438-M459 HydrophobicContact CG2-CE 3.46Å; V438-M459 VanDerWaalsContact CG2-CE 3.46Å; C453-M459 HydrophobicContact CB-SD 4.04Å; C453-M459 WeakPolarHBondContact O-CG 3.06Å; D455-M459 PolarHBondContact O-N 3.03Å; D455-M459 VanDerWaalsContact O-N 3.14Å; R456-M459 PolarHBondContact O-N 3.31Å; S457-M459 VanDerWaalsContact C-N 3.31Å; S457-M459 PolarHBondContact O-N 3.02Å; M459-L461 VanDerWaalsContact C-N 3.31Å; M459-L461 PolarHBondContact O-N 2.61Å; M459-H462 HydrophobicContact CE-CB 4.47Å; M459-H462 PolarHBondContact O-N 3.19Å; M459-Q463 WeakPolarHBondContact O-CG 3.46Å; M459-Q463 PolarHBondContact O-N 3.13Å
460	K	91.1	Very high	88.4	Confident	137 Å²	137	64.3 Å²	64.3	60%	0.596	32%	0.315	S	S	*	.	H	α-helix	trans	-60.8	-42.3	172.4	-73.5	178.2	-179.9	-177.6	0	111.4	R456 S457 Q463 Q464	R456-K460 WeakPolarHBondContact O-CG 3.32Å; R456-K460 PolarHBondContact O-N 3.39Å; R456-K460 VanDerWaalsContact O-N 3.09Å; S457-K460 PolarHBondContact O-N 3Å; K460-Q463 PolarHBondContact O-N 3.07Å; K460-Q464 WeakPolarHBondContact O-CG 3.41Å; K460-Q464 PolarHBondContact O-N 3.07Å
461	L	90.8	Very high	88.7	Confident	25 Å²	25	64.9 Å²	64.9	13%	0.131	32%	0.318	C	S	.	.	H	α-helix	trans	-61.4	-46.4	175.8	172.5	61.9	0	0	0	111.7	S457 N458 M459 Q463 Q464 Q465 Q531 Q534	S457-L461 PolarHBondContact O-N 3Å; N458-L461 PolarHBondContact O-N 3.04Å; M459-L461 VanDerWaalsContact C-N 3.31Å; M459-L461 PolarHBondContact O-N 2.61Å; L461-Q463 VanDerWaalsContact C-N 3.31Å; L461-Q463 PolarHBondContact O-N 2.84Å; L461-Q464 PolarHBondContact O-N 3.34Å; L461-Q465 HydrophobicContact CD1-CG 4.16Å; L461-Q465 HydrophobicContact CG-CG 4.49Å; L461-Q465 WeakPolarHBondContact O-CG 3.15Å; L461-Q465 PolarHBondContact O-N 3.1Å; L461-Q531 HydrophobicContact CD1-CB 4.19Å; L461-Q531 WeakPolarHBondContact CD1-O 3.36Å; L461-Q534 HydrophobicContact CD2-CB 4.24Å; L461-Q534 HydrophobicContact CD2-CG 4.41Å
462	H	91.8	Very high	89	Confident	8 Å²	8	59.8 Å²	59.8	4%	0.037	29%	0.294	C	S	.	.	H	α-helix	trans	-61.1	-38.8	178.1	-179	64.9	0	0	0	112.5	A436 W449 N458 M459 Q465 T466	A436-H462 PolarHBondContact O-NE2 2.61Å; W449-H462 AromaticContact CH2-CE1 3.91Å; W449-H462 AromaticContact CH2-CG 3.94Å; W449-H462 AromaticContact CH2-ND1 3.76Å; N458-H462 PolarHBondContact O-N 3.37Å; M459-H462 HydrophobicContact CE-CB 4.47Å; M459-H462 PolarHBondContact O-N 3.19Å; H462-Q465 PolarHBondContact O-N 3.15Å; H462-T466 WeakPolarHBondContact O-CB 3.43Å; H462-T466 PolarHBondContact O-N 3.42Å; H462-T466 PolarHBondContact O-OG1 3.36Å
463	Q	91.8	Very high	89.1	Confident	111 Å²	111	63.6 Å²	63.6	52%	0.519	31%	0.311	S	S	.	.	H	α-helix	trans	-61.9	-48.8	173.8	-73.1	172.3	-5.7	0	0	111.2	M459 K460 L461 Q465 T466 D467	M459-Q463 WeakPolarHBondContact O-CG 3.46Å; M459-Q463 PolarHBondContact O-N 3.13Å; K460-Q463 PolarHBondContact O-N 3.07Å; L461-Q463 VanDerWaalsContact C-N 3.31Å; L461-Q463 PolarHBondContact O-N 2.84Å; Q463-Q465 VanDerWaalsContact C-N 3.34Å; Q463-Q465 PolarHBondContact O-N 2.72Å; Q463-T466 WeakPolarHBondContact O-CB 3.37Å; Q463-T466 PolarHBondContact O-N 2.99Å; Q463-T466 VanDerWaalsContact O-N 3.14Å; Q463-D467 VanDerWaalsContact O-CG 3.3Å; Q463-D467 PolarHBondContact O-N 3.29Å
464	Q	91.8	Very high	88.9	Confident	75 Å²	75	64.4 Å²	64.4	35%	0.35	32%	0.321	S	S	.	.	H	α-helix	trans	-60	-42.7	176.7	-68.6	174.8	-2.5	0	0	112.5	K460 L461 T466 D467 V468	K460-Q464 WeakPolarHBondContact O-CG 3.41Å; K460-Q464 PolarHBondContact O-N 3.07Å; L461-Q464 PolarHBondContact O-N 3.34Å; Q464-T466 VanDerWaalsContact C-N 3.3Å; Q464-T466 PolarHBondContact O-N 3.14Å; Q464-D467 PolarHBondContact O-N 3.5Å; Q464-V468 WeakPolarHBondContact O-CG2 3.17Å; Q464-V468 PolarHBondContact O-N 3.19Å
465	Q	93.2	Very high	88.9	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.009	30%	0.295	C	S	.	.	H	α-helix	trans	-60.9	-41.6	175.7	-74.2	174.5	-21.9	0	0	111.6	L461 H462 Q463 V468 F469 G488 L489 C532 Q534	L461-Q465 HydrophobicContact CD1-CG 4.16Å; L461-Q465 HydrophobicContact CG-CG 4.49Å; L461-Q465 WeakPolarHBondContact O-CG 3.15Å; L461-Q465 PolarHBondContact O-N 3.1Å; H462-Q465 PolarHBondContact O-N 3.15Å; Q463-Q465 VanDerWaalsContact C-N 3.34Å; Q463-Q465 PolarHBondContact O-N 2.72Å; Q465-V468 PolarHBondContact O-N 3.29Å; Q465-F469 WeakPolarHBondContact O-CB 3.25Å; Q465-F469 PolarHBondContact O-N 3.42Å; Q465-G488 WeakPolarHBondContact CG-O 3.5Å; Q465-G488 PolarHBondContact NE2-O 3.39Å; Q465-L489 HydrophobicContact CB-CD1 4.3Å; Q465-C532 HydrophobicContact CG-CB 3.97Å; Q465-C532 PolarHBondContact NE2-O 2.95Å; Q465-Q534 PolarHBondContact NE2-O 2.78Å
466	T	92.8	Very high	88.7	Confident	26 Å²	26	60.8 Å²	60.8	16%	0.16	30%	0.299	C	S	.	.	H	α-helix	trans	-65.8	-42.2	177.6	-59.4	0	0	0	0	111.2	A435 H462 Q463 Q464 F469 N470	A435-T466 HydrophobicContact CB-CG2 3.68Å; A435-T466 WeakPolarHBondContact CB-OG1 3.29Å; H462-T466 WeakPolarHBondContact O-CB 3.43Å; H462-T466 PolarHBondContact O-N 3.42Å; H462-T466 PolarHBondContact O-OG1 3.36Å; Q463-T466 WeakPolarHBondContact O-CB 3.37Å; Q463-T466 PolarHBondContact O-N 2.99Å; Q463-T466 VanDerWaalsContact O-N 3.14Å; Q464-T466 VanDerWaalsContact C-N 3.3Å; Q464-T466 PolarHBondContact O-N 3.14Å; T466-F469 PolarHBondContact O-N 3.41Å; T466-N470 WeakPolarHBondContact O-CB 3.39Å; T466-N470 VanDerWaalsContact O-CG 3.25Å; T466-N470 PolarHBondContact O-N 3.04Å; T466-N470 PolarHBondContact O-ND2 3.31Å
467	D	91.6	Very high	88.6	Confident	99 Å²	99	51.8 Å²	51.8	53%	0.529	27%	0.269	S	S	.	.	H	α-helix	trans	-62	-47.5	176.8	-69.8	-19.5	0	0	0	111.3	Q463 Q464 F469 N470 V471	Q463-D467 VanDerWaalsContact O-CG 3.3Å; Q463-D467 PolarHBondContact O-N 3.29Å; Q464-D467 PolarHBondContact O-N 3.5Å; D467-F469 VanDerWaalsContact C-N 3.31Å; D467-F469 PolarHBondContact O-N 3.36Å; D467-N470 PolarHBondContact O-N 3.39Å; D467-V471 WeakPolarHBondContact O-CG2 3.4Å; D467-V471 PolarHBondContact O-N 3.04Å
468	V	91.9	Very high	88.5	Confident	20 Å²	20	47.2 Å²	47.2	12%	0.121	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-42.7	175.3	173.1	0	0	0	0	110.9	Q464 Q465 N470 V471 L472 L487 L523 V528	Q464-V468 WeakPolarHBondContact O-CG2 3.17Å; Q464-V468 PolarHBondContact O-N 3.19Å; Q465-V468 PolarHBondContact O-N 3.29Å; V468-N470 VanDerWaalsContact C-N 3.32Å; V468-N470 PolarHBondContact O-N 3.36Å; V468-V471 PolarHBondContact O-N 3.45Å; V468-L472 WeakPolarHBondContact O-CG 3.4Å; V468-L472 PolarHBondContact O-N 3.18Å; V468-L487 HydrophobicContact CB-CD1 4.5Å; V468-L487 HydrophobicContact CG1-CD1 4.12Å; V468-L487 HydrophobicContact CG1-CD2 4.4Å; V468-L523 HydrophobicContact CG1-CD1 4.15Å; V468-L523 HydrophobicContact CG1-CD2 4.45Å; V468-V528 HydrophobicContact CG1-CG1 4.37Å; V468-V528 HydrophobicContact CG1-CG2 4.07Å
469	F	91.9	Very high	88.4	Confident	12 Å²	12	46 Å²	46	5%	0.053	23%	0.234	C	C	.	.	H	α-helix	trans	-63.7	-36.6	177.2	-173.5	-107.8	0	0	0	112.8	A430 L433 Q465 T466 D467 L472 K473 L487 L489 L583	A430-F469 HydrophobicContact CB-CE1 4.41Å; A430-F469 HydrophobicContact CB-CZ 4.21Å; L433-F469 HydrophobicContact CB-CZ 4.07Å; Q465-F469 WeakPolarHBondContact O-CB 3.25Å; Q465-F469 PolarHBondContact O-N 3.42Å; T466-F469 PolarHBondContact O-N 3.41Å; D467-F469 VanDerWaalsContact C-N 3.31Å; D467-F469 PolarHBondContact O-N 3.36Å; F469-L472 HydrophobicContact CD2-CD1 4.45Å; F469-L472 WeakPolarHBondContact O-CB 3.31Å; F469-L472 PolarHBondContact O-N 3.02Å; F469-K473 PolarHBondContact O-N 3.49Å; F469-L487 HydrophobicContact CB-CD2 4.39Å; F469-L487 HydrophobicContact CD2-CD2 4.2Å; F469-L489 HydrophobicContact CB-CD2 4.43Å; F469-L489 HydrophobicContact CD1-CD2 4.09Å; F469-L489 HydrophobicContact CD2-CD2 3.82Å; F469-L489 HydrophobicContact CE1-CD2 4.26Å; F469-L489 HydrophobicContact CE2-CD2 4.01Å; F469-L489 HydrophobicContact CG-CD2 3.85Å; F469-L489 HydrophobicContact CZ-CD2 4.22Å; F469-L583 HydrophobicContact CD2-CD1 4.18Å; F469-L583 HydrophobicContact CE2-CD1 3.91Å
470	N	89.1	Confident	88.3	Confident	91 Å²	91	48.7 Å²	48.7	49%	0.487	25%	0.246	S	C	.	.	H	α-helix	trans	-68.1	-38.4	174.4	-72	-32.6	0	0	0	111.9	T466 D467 V468 L472 K473	T466-N470 WeakPolarHBondContact O-CB 3.39Å; T466-N470 VanDerWaalsContact O-CG 3.25Å; T466-N470 PolarHBondContact O-N 3.04Å; T466-N470 PolarHBondContact O-ND2 3.31Å; D467-N470 PolarHBondContact O-N 3.39Å; V468-N470 VanDerWaalsContact C-N 3.32Å; V468-N470 PolarHBondContact O-N 3.36Å; N470-L472 VanDerWaalsContact C-N 3.32Å; N470-L472 PolarHBondContact O-N 3.25Å; N470-K473 WeakPolarHBondContact O-CB 3.42Å; N470-K473 PolarHBondContact O-N 2.79Å; N470-K473 VanDerWaalsContact O-N 3.16Å
471	V	88.9	Confident	88.1	Confident	22 Å²	22	42.7 Å²	42.7	13%	0.133	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-40	173.2	175	0	0	0	0	110.9	D467 V468 K473 G474 K519 R520 L523	D467-V471 WeakPolarHBondContact O-CG2 3.4Å; D467-V471 PolarHBondContact O-N 3.04Å; V468-V471 PolarHBondContact O-N 3.45Å; V471-K473 PolarHBondContact O-N 3.45Å; V471-G474 PolarHBondContact O-N 3.45Å; V471-K519 HydrophobicContact CG1-CB 4.44Å; V471-K519 HydrophobicContact CG2-CB 4.14Å; V471-K519 HydrophobicContact CG2-CD 4.39Å; V471-R520 HydrophobicContact CG1-CB 4.47Å; V471-R520 HydrophobicContact CG1-CG 3.75Å; V471-L523 HydrophobicContact CB-CD2 4.39Å; V471-L523 HydrophobicContact CG1-CD2 3.84Å
472	L	87.4	Confident	88	Confident	6 Å²	6	42.2 Å²	42.2	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-59.1	-27.6	175.7	-72.8	176.8	0	0	0	113.3	H426 V468 F469 N470 G474 I475 L481 L487 L523 W602	H426-L472 PolarHBondContact CD2-O 2.98Å; H426-L472 VanDerWaalsContact CD2-O 3.27Å; V468-L472 WeakPolarHBondContact O-CG 3.4Å; V468-L472 PolarHBondContact O-N 3.18Å; F469-L472 HydrophobicContact CD2-CD1 4.45Å; F469-L472 WeakPolarHBondContact O-CB 3.31Å; F469-L472 PolarHBondContact O-N 3.02Å; N470-L472 VanDerWaalsContact C-N 3.32Å; N470-L472 PolarHBondContact O-N 3.25Å; L472-G474 PolarHBondContact O-N 3.18Å; L472-I475 HydrophobicContact CD2-CD1 3.85Å; L472-I475 PolarHBondContact O-N 3.41Å; L472-L481 HydrophobicContact CD2-CD1 3.7Å; L472-L481 HydrophobicContact CD2-CD2 4.06Å; L472-L481 HydrophobicContact CD2-CG 4.5Å; L472-L487 HydrophobicContact CD1-CD2 3.62Å; L472-L523 HydrophobicContact CD2-CD2 3.68Å; L472-L523 HydrophobicContact CG-CD2 4.11Å; L472-W602 HydrophobicContact CD1-CH2 4.1Å; L472-W602 HydrophobicContact CD1-CZ2 4.15Å; L472-W602 HydrophobicContact CD2-CZ2 4.23Å
473	K	82.8	Confident	87.8	Confident	94 Å²	94	44.2 Å²	44.2	41%	0.409	23%	0.232	S	C	.	.	H	α-helix	trans	-65	-30.2	176.6	-163.7	-168.7	174.9	178.4	0	112.3	A430 F469 N470 V471 C508	A430-K473 HydrophobicContact CB-CB 4.07Å; A430-K473 HydrophobicContact CB-CD 4.5Å; A430-K473 HydrophobicContact CB-CG 3.75Å; F469-K473 PolarHBondContact O-N 3.49Å; N470-K473 WeakPolarHBondContact O-CB 3.42Å; N470-K473 PolarHBondContact O-N 2.79Å; N470-K473 VanDerWaalsContact O-N 3.16Å; V471-K473 PolarHBondContact O-N 3.45Å; K473-C508 VanDerWaalsContact CG-SG 3.55Å; K473-C508 PolarHBondContact O-SG 3.37Å; K473-C508 VanDerWaalsContact O-SG 3.37Å
474	G	79.3	Confident	87.7	Confident	34 Å²	34	39.1 Å²	39.1	35%	0.351	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-9	-179.3	0	0	0	0	0	114.9	V471 L472	V471-G474 PolarHBondContact O-N 3.45Å; L472-G474 PolarHBondContact O-N 3.18Å
475	I	83.8	Confident	87.7	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.015	19%	0.194	C	C	.	.			trans	-73.6	145.2	175.3	-62.6	-178.3	0	0	0	109.2	H426 L472 S477 E480 L481 L523	H426-I475 PolarHBondContact CD2-O 2.89Å; H426-I475 PolarHBondContact CE1-O 3.04Å; H426-I475 PolarHBondContact NE2-O 2.83Å; L472-I475 HydrophobicContact CD2-CD1 3.85Å; L472-I475 PolarHBondContact O-N 3.41Å; I475-S477 VanDerWaalsContact CG2-O 3.3Å; I475-S477 WeakPolarHBondContact CG2-O 3.48Å; I475-E480 HydrophobicContact CG2-CB 4.48Å; I475-L481 HydrophobicContact CD1-CD1 4.49Å; I475-L481 HydrophobicContact CD1-CD2 3.74Å; I475-L481 HydrophobicContact CD1-CG 4.2Å; I475-L523 HydrophobicContact CD1-CD2 4.16Å
476	Y	82.1	Confident	87.8	Confident	142 Å²	142	35.7 Å²	35.7	56%	0.557	19%	0.194	S	C	*	.	S	Bend	trans	-87.2	-40.5	179.7	-178.4	-96.5	0	0	0	113	H426 P507	H426-Y476 PolarHBondContact CE1-O 2.97Å; H426-Y476 VanDerWaalsContact CE1-O 3.25Å; Y476-P507 HydrophobicContact CD2-CB 4.47Å; Y476-P507 HydrophobicContact CD2-CG 4.25Å; Y476-P507 HydrophobicContact CE2-CG 4.17Å
477	S	86.1	Confident	87.9	Confident	25 Å²	25	34.4 Å²	34.4	18%	0.175	19%	0.186	C	C	.	.			trans	-128.1	132	-177.1	-176.7	0	0	0	0	111.8	I475 G479 E480	I475-S477 VanDerWaalsContact CG2-O 3.3Å; I475-S477 WeakPolarHBondContact CG2-O 3.48Å; S477-G479 PolarHBondContact O-N 3.36Å; S477-G479 PolarHBondContact OG-N 2.84Å; S477-E480 PolarHBondContact O-N 2.73Å
478	S	86	Confident	88	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-59.7	-18	170.5	-53.6	0	0	0	0	113.1	P423 S425 H426 E480 H585	P423-S478 PolarHBondContact O-N 2.81Å; P423-S478 PolarHBondContact O-OG 3.46Å; P423-S478 VanDerWaalsContact O-OG 3.12Å; S425-S478 PolarHBondContact OG-OG 3.19Å; H426-S478 PolarHBondContact ND1-OG 3.42Å; H426-S478 VanDerWaalsContact ND1-OG 3.08Å; S478-E480 PolarHBondContact O-N 3.12Å; S478-H585 PolarHBondContact O-NE2 3.04Å
479	G	83.7	Confident	88.1	Confident	15 Å²	15	28.8 Å²	28.8	16%	0.155	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-72.9	-10.6	179.9	0	0	0	0	0	115.4	S477 S597 S600	S477-G479 PolarHBondContact O-N 3.36Å; S477-G479 PolarHBondContact OG-N 2.84Å; G479-S597 PolarHBondContact O-OG 2.76Å; G479-S597 VanDerWaalsContact O-OG 3.09Å; G479-S600 PolarHBondContact N-OG 3.08Å
480	E	85.9	Confident	88.1	Confident	76 Å²	76	28.3 Å²	28.3	36%	0.355	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-82.3	-18.7	179.6	-75.9	164.5	-144.2	0	0	113.2	I475 S477 S478 M524	I475-E480 HydrophobicContact CG2-CB 4.48Å; S477-E480 PolarHBondContact O-N 2.73Å; S478-E480 PolarHBondContact O-N 3.12Å; E480-M524 HydrophobicContact CB-CE 3.84Å; E480-M524 HydrophobicContact CB-CG 4.44Å; E480-M524 HydrophobicContact CB-SD 4.49Å; E480-M524 HydrophobicContact CG-CE 3.97Å
481	L	87.6	Confident	88.3	Confident	11 Å²	11	24 Å²	24	6%	0.058	13%	0.131	C	C	.	.	S	Bend	trans	-80.5	148	-178.7	-69.6	168.5	0	0	0	111.6	L472 I475 L523 W602	L472-L481 HydrophobicContact CD2-CD1 3.7Å; L472-L481 HydrophobicContact CD2-CD2 4.06Å; L472-L481 HydrophobicContact CD2-CG 4.5Å; I475-L481 HydrophobicContact CD1-CD1 4.49Å; I475-L481 HydrophobicContact CD1-CD2 3.74Å; I475-L481 HydrophobicContact CD1-CG 4.2Å; L481-L523 HydrophobicContact CD2-CD2 4.43Å; L481-L523 HydrophobicContact CD2-CG 4.11Å; L481-W602 HydrophobicContact CD1-CH2 4.13Å; L481-W602 HydrophobicContact CD1-CZ2 3.41Å; L481-W602 VanDerWaalsContact CD1-CZ2 3.41Å
482	P	88.6	Confident	88.4	Confident	14 Å²	14	23.6 Å²	23.6	9%	0.091	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-61.1	140.1	174.6	18.1	-22.6	0	0	0	110.2	T485 G527	P482-T485 WeakPolarHBondContact CG-OG1 3.43Å; P482-T485 PolarHBondContact O-OG1 3.43Å; P482-G527 VanDerWaalsContact CG-CA 3.43Å
483	P	87.6	Confident	88.5	Confident	50 Å²	50	23.4 Å²	23.4	33%	0.325	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	139.7	-171.2	30.8	-39.2	0	0	0	111.7	T485 P587 Q590	P483-T485 VanDerWaalsContact C-N 3.26Å; P483-T485 PolarHBondContact O-N 3.09Å; P483-P587 HydrophobicContact CB-CB 3.68Å; P483-P587 HydrophobicContact CB-CG 4.22Å; P483-Q590 VanDerWaalsContact CG-NE2 3.28Å
484	G	89.2	Confident	88.9	Confident	4 Å²	4	19 Å²	19	4%	0.041	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	4.1	174.6	0	0	0	0	0	114.4	R275 Q276 H585	R275-G484 CarbonylContact C-O 3.6Å; R275-G484 WeakPolarHBondContact CA-O 3.41Å; Q276-G484 PolarHBondContact N-O 2.93Å; G484-H585 WeakPolarHBondContact CA-O 3.32Å; G484-H585 PolarHBondContact N-O 3.42Å
485	T	92.5	Very high	89.3	Confident	3 Å²	3	18.3 Å²	18.3	2%	0.018	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-56.9	138	-179.3	-61	0	0	0	0	112.4	P482 P483 V528 H585	P482-T485 WeakPolarHBondContact CG-OG1 3.43Å; P482-T485 PolarHBondContact O-OG1 3.43Å; P483-T485 VanDerWaalsContact C-N 3.26Å; P483-T485 PolarHBondContact O-N 3.09Å; T485-V528 HydrophobicContact CG2-CB 3.54Å; T485-V528 HydrophobicContact CG2-CG2 3.32Å; T485-H585 WeakPolarHBondContact O-CB 3.37Å; T485-H585 PolarHBondContact O-N 3.23Å
486	V	94.6	Very high	89.4	Confident	2 Å²	2	19.7 Å²	19.7	1%	0.012	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.4	-178.2	-177.4	0	0	0	0	110.4	A274 L298 V528 C533 L582 L583 V584	A274-V486 PolarHBondContact O-N 2.97Å; A274-V486 VanDerWaalsContact O-N 3.08Å; L298-V486 HydrophobicContact CD1-CG2 3.74Å; V486-V528 WeakPolarHBondContact O-CG1 3.49Å; V486-C533 PolarHBondContact O-SG 3.32Å; V486-L582 HydrophobicContact CG1-CD1 3.6Å; V486-L582 HydrophobicContact CG1-CD2 4.15Å; V486-L582 HydrophobicContact CG1-CG 3.91Å; V486-L583 CarbonylContact C-O 3.54Å; V486-L583 WeakPolarHBondContact CA-O 3.32Å; V486-V584 HydrophobicContact CG1-CG2 4.42Å; V486-V584 HydrophobicContact CG2-CG1 4.3Å; V486-V584 HydrophobicContact CG2-CG2 4.32Å
487	L	94.6	Very high	89.3	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	121.3	173.1	176.2	65.1	0	0	0	109.1	V468 F469 L472 V528 C532 L583	V468-L487 HydrophobicContact CB-CD1 4.5Å; V468-L487 HydrophobicContact CG1-CD1 4.12Å; V468-L487 HydrophobicContact CG1-CD2 4.4Å; F469-L487 HydrophobicContact CB-CD2 4.39Å; F469-L487 HydrophobicContact CD2-CD2 4.2Å; L472-L487 HydrophobicContact CD1-CD2 3.62Å; L487-V528 HydrophobicContact CB-CG1 4.48Å; L487-V528 HydrophobicContact CB-CG2 4.45Å; L487-V528 HydrophobicContact CD1-CG1 3.91Å; L487-C532 HydrophobicContact CD1-CB 4Å; L487-L583 HydrophobicContact CB-CB 4.32Å; L487-L583 HydrophobicContact CD2-CD1 4.32Å; L487-L583 PolarHBondContact N-O 3.27Å; L487-L583 PolarHBondContact O-N 3.31Å
488	G	94.5	Very high	89.3	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	140.3	166.8	0	0	0	0	0	110	Q465 C532	Q465-G488 WeakPolarHBondContact CG-O 3.5Å; Q465-G488 PolarHBondContact NE2-O 3.39Å; G488-C532 PolarHBondContact N-O 3.47Å
489	L	93.1	Very high	89.2	Confident	1 Å²	1	15.9 Å²	15.9	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	141.2	176.7	-175.4	65.7	0	0	0	109.3	A435 Q465 F469 V491 V581	A435-L489 HydrophobicContact CB-CD1 4.2Å; Q465-L489 HydrophobicContact CB-CD1 4.3Å; F469-L489 HydrophobicContact CB-CD2 4.43Å; F469-L489 HydrophobicContact CD1-CD2 4.09Å; F469-L489 HydrophobicContact CD2-CD2 3.82Å; F469-L489 HydrophobicContact CE1-CD2 4.26Å; F469-L489 HydrophobicContact CE2-CD2 4.01Å; F469-L489 HydrophobicContact CG-CD2 3.85Å; F469-L489 HydrophobicContact CZ-CD2 4.22Å; L489-V491 HydrophobicContact CB-CG1 4.4Å; L489-V491 HydrophobicContact CD2-CG1 3.42Å; L489-V491 VanDerWaalsContact CD2-CG1 3.42Å; L489-V491 HydrophobicContact CG-CG1 3.64Å; L489-V581 HydrophobicContact CB-CG2 4.11Å; L489-V581 PolarHBondContact N-O 3.44Å; L489-V581 VanDerWaalsContact N-O 3.17Å; L489-V581 VanDerWaalsContact O-CG2 3.27Å; L489-V581 WeakPolarHBondContact O-CG2 3.49Å; L489-V581 PolarHBondContact O-N 3.1Å; L489-V581 VanDerWaalsContact O-O 3.09Å
490	T	93.5	Very high	89.1	Confident	2 Å²	2	23.4 Å²	23.4	1%	0.012	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.6	164.9	-52.9	0	0	0	0	108.6	A436 W448 W449 R578	A436-T490 HydrophobicContact CB-CG2 3.89Å; A436-T490 PolarHBondContact N-O 3.3Å; W448-T490 HydrophobicContact CH2-CG2 3.79Å; W448-T490 HydrophobicContact CZ2-CG2 3.86Å; W449-T490 HydrophobicContact CD2-CG2 4.38Å; W449-T490 HydrophobicContact CE3-CG2 3.8Å; W449-T490 HydrophobicContact CH2-CG2 3.88Å; W449-T490 HydrophobicContact CZ2-CG2 4.45Å; W449-T490 HydrophobicContact CZ3-CG2 3.53Å; T490-R578 HydrophobicContact CG2-CB 4.42Å
491	V	92.6	Very high	89.1	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	157	-173.5	-60.4	0	0	0	0	111.7	L433 E434 L489 V579 V581 F614	L433-V491 HydrophobicContact CB-CG1 4.12Å; L433-V491 HydrophobicContact CD1-CG1 4.42Å; E434-V491 VanDerWaalsContact O-CA 3.26Å; E434-V491 WeakPolarHBondContact O-CA 3.35Å; E434-V491 WeakPolarHBondContact O-CB 3.32Å; L489-V491 HydrophobicContact CB-CG1 4.4Å; L489-V491 HydrophobicContact CD2-CG1 3.42Å; L489-V491 VanDerWaalsContact CD2-CG1 3.42Å; L489-V491 HydrophobicContact CG-CG1 3.64Å; V491-V579 HydrophobicContact CG2-CB 4.43Å; V491-V579 WeakPolarHBondContact CG2-O 3.28Å; V491-V579 PolarHBondContact N-O 2.88Å; V491-V579 PolarHBondContact O-N 3.16Å; V491-V581 HydrophobicContact CG1-CG2 3.8Å; V491-V581 HydrophobicContact CG2-CG1 3.65Å; V491-V581 HydrophobicContact CG2-CG2 4.03Å; V491-F614 HydrophobicContact CG2-CE1 3.89Å; V491-F614 HydrophobicContact CG2-CZ 3.67Å
492	D	90.4	Very high	89	Confident	14 Å²	14	32.6 Å²	32.6	8%	0.075	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	157.6	168.7	-73	-14.5	0	0	0	112.2	E434 A436 P494 R578	E434-D492 PolarHBondContact O-N 2.79Å; A436-D492 VanDerWaalsContact CA-OD1 3.3Å; A436-D492 WeakPolarHBondContact CA-OD1 3.47Å; D492-P494 WeakPolarHBondContact O-CD 3.4Å; D492-R578 WeakPolarHBondContact OD1-CD 3.29Å; D492-R578 IonicContact OD1-CZ 3.02Å; D492-R578 IonicContact OD1-NE 2.64Å; D492-R578 IonicContact OD1-NH1 3.14Å; D492-R578 PolarHBondContact OD1-NH1 2.94Å; D492-R578 IonicContact OD2-NH1 2.7Å; D492-R578 PolarHBondContact OD2-NH1 2.97Å
493	D	90.5	Very high	89.1	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.011	17%	0.171	C	C	.	.			trans	-52.5	110.7	173.6	-178.2	-4.9	0	0	0	110.5	R495 L496 G577 W610	D493-R495 VanDerWaalsContact CG-NE 3.33Å; D493-R495 PolarHBondContact O-N 2.99Å; D493-R495 WeakPolarHBondContact OD1-CB 3.44Å; D493-R495 WeakPolarHBondContact OD1-CG 3.47Å; D493-R495 IonicContact OD1-CZ 3.18Å; D493-R495 PolarHBondContact OD1-N 3.39Å; D493-R495 IonicContact OD1-NE 2.64Å; D493-R495 PolarHBondContact OD1-NE 3.47Å; D493-R495 IonicContact OD1-NH2 3.68Å; D493-R495 IonicContact OD2-CZ 3.56Å; D493-R495 IonicContact OD2-NE 3.38Å; D493-R495 PolarHBondContact OD2-NE 2.84Å; D493-R495 IonicContact OD2-NH2 3.28Å; D493-R495 PolarHBondContact OD2-NH2 3.29Å; D493-L496 HydrophobicContact CB-CD1 4.23Å; D493-L496 HydrophobicContact CB-CG 4.2Å; D493-L496 VanDerWaalsContact O-CB 3.31Å; D493-L496 WeakPolarHBondContact O-CB 3.14Å; D493-L496 WeakPolarHBondContact O-CG 3.18Å; D493-L496 PolarHBondContact O-N 3.41Å; D493-G577 PolarHBondContact N-O 2.84Å; D493-W610 HydrophobicContact CB-CH2 4.26Å; D493-W610 HydrophobicContact CB-CZ3 3.94Å
494	P	90.4	Very high	89.1	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.006	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-6.4	-175.4	30.8	-38.3	0	0	0	112.4	L433 D492 L496 T497 F614 P617	L433-P494 HydrophobicContact CD2-CB 4.2Å; D492-P494 WeakPolarHBondContact O-CD 3.4Å; P494-L496 PolarHBondContact O-N 3.18Å; P494-T497 PolarHBondContact O-N 3.24Å; P494-T497 PolarHBondContact O-OG1 2.83Å; P494-F614 HydrophobicContact CG-CB 4.31Å; P494-F614 HydrophobicContact CG-CD1 3.68Å; P494-F614 HydrophobicContact CG-CD2 3.75Å; P494-F614 HydrophobicContact CG-CE1 3.83Å; P494-F614 HydrophobicContact CG-CE2 3.88Å; P494-F614 HydrophobicContact CG-CG 3.65Å; P494-F614 HydrophobicContact CG-CZ 3.92Å; P494-P617 HydrophobicContact CB-CB 4.14Å; P494-P617 HydrophobicContact CB-CG 3.99Å; P494-P617 HydrophobicContact CG-CG 4.23Å; P494-P617 WeakPolarHBondContact O-CG 3.05Å
495	R	88.8	Confident	88.8	Confident	19 Å²	19	38.8 Å²	38.8	7%	0.072	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-30.3	168.1	-61	177.9	-68.9	176.3	-0.5	110	D493 T497 L498 I551 L556 R560 A613	D493-R495 VanDerWaalsContact CG-NE 3.33Å; D493-R495 PolarHBondContact O-N 2.99Å; D493-R495 WeakPolarHBondContact OD1-CB 3.44Å; D493-R495 WeakPolarHBondContact OD1-CG 3.47Å; D493-R495 IonicContact OD1-CZ 3.18Å; D493-R495 PolarHBondContact OD1-N 3.39Å; D493-R495 IonicContact OD1-NE 2.64Å; D493-R495 PolarHBondContact OD1-NE 3.47Å; D493-R495 IonicContact OD1-NH2 3.68Å; D493-R495 IonicContact OD2-CZ 3.56Å; D493-R495 IonicContact OD2-NE 3.38Å; D493-R495 PolarHBondContact OD2-NE 2.84Å; D493-R495 IonicContact OD2-NH2 3.28Å; D493-R495 PolarHBondContact OD2-NH2 3.29Å; R495-T497 VanDerWaalsContact C-N 3.31Å; R495-T497 PolarHBondContact O-N 2.96Å; R495-L498 WeakPolarHBondContact O-CB 3.25Å; R495-L498 PolarHBondContact O-N 3.21Å; R495-I551 PolarHBondContact NH1-O 2.95Å; R495-I551 VanDerWaalsContact NH1-O 3.07Å; R495-I551 PolarHBondContact NH2-O 2.65Å; R495-I551 VanDerWaalsContact NH2-O 3.13Å; R495-L556 HydrophobicContact CB-CD2 3.49Å; R495-L556 VanDerWaalsContact CB-CD2 3.49Å; R495-L556 HydrophobicContact CG-CD2 4.34Å; R495-R560 VanDerWaalsContact C-NH2 3.3Å; R495-R560 PolarHBondContact O-NH2 3Å; R495-A613 HydrophobicContact CG-CB 4.12Å; R495-A613 WeakPolarHBondContact CG-O 3.43Å
496	L	84.5	Confident	88.1	Confident	32 Å²	32	41.4 Å²	41.4	17%	0.168	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-34	178.8	-58.8	175.7	0	0	0	112.1	D493 P494 L498 L556 L570	D493-L496 HydrophobicContact CB-CD1 4.23Å; D493-L496 HydrophobicContact CB-CG 4.2Å; D493-L496 VanDerWaalsContact O-CB 3.31Å; D493-L496 WeakPolarHBondContact O-CB 3.14Å; D493-L496 WeakPolarHBondContact O-CG 3.18Å; D493-L496 PolarHBondContact O-N 3.41Å; P494-L496 PolarHBondContact O-N 3.18Å; L496-L498 VanDerWaalsContact C-N 3.31Å; L496-L498 PolarHBondContact O-N 2.76Å; L496-L556 HydrophobicContact CD2-CD1 3.78Å; L496-L570 HydrophobicContact CD2-CB 4.33Å; L496-L570 HydrophobicContact CD2-CD1 3.61Å
497	T	81.3	Confident	87.1	Confident	12 Å²	12	42.6 Å²	42.6	7%	0.074	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	4.4	179.4	60.3	0	0	0	0	113.5	T432 E434 P494 R495 P499 R569	T432-T497 PolarHBondContact O-OG1 2.86Å; E434-T497 HydrophobicContact CB-CG2 4.5Å; E434-T497 VanDerWaalsContact CD-CG2 3.41Å; E434-T497 HydrophobicContact CG-CG2 3.92Å; E434-T497 WeakPolarHBondContact OE2-CG2 3.48Å; P494-T497 PolarHBondContact O-N 3.24Å; P494-T497 PolarHBondContact O-OG1 2.83Å; R495-T497 VanDerWaalsContact C-N 3.31Å; R495-T497 PolarHBondContact O-N 2.96Å; T497-P499 WeakPolarHBondContact O-CD 3.49Å; T497-R569 VanDerWaalsContact CG2-NH1 3.28Å
498	L	84.5	Confident	85.7	Confident	51 Å²	51	45.5 Å²	45.5	27%	0.267	23%	0.23	S	C	.	.			trans	-63.9	118.1	-172.3	-177.3	72.5	0	0	0	111.9	R495 L496 V616 P617 Y620	R495-L498 WeakPolarHBondContact O-CB 3.25Å; R495-L498 PolarHBondContact O-N 3.21Å; L496-L498 VanDerWaalsContact C-N 3.31Å; L496-L498 PolarHBondContact O-N 2.76Å; L498-V616 HydrophobicContact CD1-CG1 4.33Å; L498-P617 HydrophobicContact CD1-CB 4.21Å; L498-P617 HydrophobicContact CD1-CG 4.14Å; L498-Y620 HydrophobicContact CD1-CD1 3.95Å; L498-Y620 HydrophobicContact CD1-CD2 4.01Å; L498-Y620 HydrophobicContact CD1-CG 3.65Å; L498-Y620 HydrophobicContact CG-CD1 4.41Å
499	P	84.8	Confident	84.1	Confident	25 Å²	25	50.2 Å²	50.2	16%	0.162	26%	0.258	C	S	.	.			trans	-70.6	149.3	178.2	29	-35.2	0	0	0	111.6	T497 Q501 Y620	T497-P499 WeakPolarHBondContact O-CD 3.49Å; P499-Q501 VanDerWaalsContact C-N 3.27Å; P499-Q501 PolarHBondContact O-N 3.07Å; P499-Y620 VanDerWaalsContact O-CD1 3.29Å; P499-Y620 WeakPolarHBondContact O-CD1 3.32Å
500	R	82.4	Confident	82.2	Confident	173 Å²	173	57.4 Å²	57.4	65%	0.653	30%	0.297	S	S	*	.	S	Bend	trans	-63.2	-33.7	179	-71	177.3	152.4	-162.7	-21.2	113.6	P566	R500-P566 PolarHBondContact NH1-O 3.12Å; R500-P566 PolarHBondContact NH2-O 3.44Å
501	Q	84.4	Confident	80.3	Confident	151 Å²	151	67.7 Å²	67.7	71%	0.706	34%	0.335	S	S	*	.	S	Bend	trans	-118.7	158.5	179.7	-60	-170.9	29.3	0	0	109.3	P499 V503	P499-Q501 VanDerWaalsContact C-N 3.27Å; P499-Q501 PolarHBondContact O-N 3.07Å; Q501-V503 PolarHBondContact O-N 3.44Å
502	K	86.8	Confident	78.2	Confident	129 Å²	129	73.3 Å²	73.3	56%	0.561	37%	0.365	S	S	*	.			trans	-72.2	113.3	171	-66	-166.3	166.4	-133.3	0	108.7	V619 Y620	K502-V619 PolarHBondContact NZ-O 3.13Å; K502-Y620 CarbonylContact C-O 3.54Å; K502-Y620 WeakPolarHBondContact CA-O 3.49Å; K502-Y620 HydrophobicContact CG-CD1 4.28Å; K502-Y620 HydrophobicContact CG-CG 4.36Å
503	V	89.1	Confident	76.6	Confident	70 Å²	70	78.6 Å²	78.6	42%	0.424	39%	0.39	S	S	.	.			trans	-111.2	138.5	178.5	-178.9	0	0	0	0	107.1	Q501 Y620 R621 G622	Q501-V503 PolarHBondContact O-N 3.44Å; V503-Y620 PolarHBondContact N-O 2.96Å; V503-Y620 VanDerWaalsContact O-O 3.11Å; V503-R621 CarbonylContact O-C 3.51Å; V503-R621 WeakPolarHBondContact O-CA 3.32Å; V503-G622 PolarHBondContact O-N 2.76Å; V503-G622 VanDerWaalsContact O-N 3.08Å
504	K	88	Confident	74.9	Confident	126 Å²	126	84.1 Å²	84.1	55%	0.548	42%	0.423	S	S	.	.			trans	-80.8	124.4	172.8	-171.8	-173.5	173.2	-164.1	0	107.2	H228	H228-K504 WeakPolarHBondContact CD2-CE 3.47Å; H228-K504 WeakPolarHBondContact NE2-CG 3.35Å
505	A	84.2	Confident	73.4	Confident	2 Å²	2	86.2 Å²	86.2	2%	0.017	45%	0.445	C	S	.	.			trans	-59.8	144	176.3	0	0	0	0	0	110.3	V428 E431 R621	V428-A505 HydrophobicContact CB-CB 4.36Å; V428-A505 HydrophobicContact CG2-CB 3.65Å; E431-A505 VanDerWaalsContact OE1-CA 3.24Å; E431-A505 WeakPolarHBondContact OE1-CA 3.23Å; E431-A505 WeakPolarHBondContact OE1-CB 3.33Å; A505-R621 HydrophobicContact CB-CB 4.43Å; A505-R621 PolarHBondContact N-O 2.98Å
506	A	78.1	Confident	72.6	Confident	57 Å²	57	88 Å²	88	47%	0.471	46%	0.456	S	S	.	.			trans	-132	143.5	178.9	0	0	0	0	0	109.6	E431 C508	E431-A506 PolarHBondContact OE1-N 2.98Å; A506-C508 PolarHBondContact O-N 3.42Å
507	P	73.1	Confident	72.4	Confident	28 Å²	28	90.4 Å²	90.4	18%	0.182	47%	0.467	C	S	.	.			trans	-62.3	137.6	174	27.2	-33.1	0	0	0	109.1	Y476 V509	Y476-P507 HydrophobicContact CD2-CB 4.47Å; Y476-P507 HydrophobicContact CD2-CG 4.25Å; Y476-P507 HydrophobicContact CE2-CG 4.17Å; P507-V509 VanDerWaalsContact C-N 3.29Å; P507-V509 HydrophobicContact CB-CG2 3.89Å; P507-V509 HydrophobicContact CG-CG2 3.94Å; P507-V509 PolarHBondContact O-N 3.07Å
508	C	64.1	Low	72.6	Confident	61 Å²	61	96 Å²	96	41%	0.412	49%	0.492	S	S	.	.			trans	-82.1	77.9	174.4	58.9	0	0	0	0	109.6	K473 A506 N510	K473-C508 VanDerWaalsContact CG-SG 3.55Å; K473-C508 PolarHBondContact O-SG 3.37Å; K473-C508 VanDerWaalsContact O-SG 3.37Å; A506-C508 PolarHBondContact O-N 3.42Å; C508-N510 PolarHBondContact O-N 3.29Å
509	V	60.9	Low	72.6	Confident	99 Å²	99	99.1 Å²	99.1	60%	0.6	50%	0.503	S	S	*	.			trans	-81.5	18.3	178	-162.8	0	0	0	0	111.8	P507	P507-V509 VanDerWaalsContact C-N 3.29Å; P507-V509 HydrophobicContact CB-CG2 3.89Å; P507-V509 HydrophobicContact CG-CG2 3.94Å; P507-V509 PolarHBondContact O-N 3.07Å
510	N	54.7	Low	72.6	Confident	152 Å²	152	100.1 Å²	100.1	81%	0.813	50%	0.504	S	S	*	.			trans	-111	115.6	-178.3	-72.6	-12.6	0	0	0	110.4	C508	C508-N510 PolarHBondContact O-N 3.29Å
511	R	53.5	Low	72.8	Confident	217 Å²	217	96.2 Å²	96.2	82%	0.819	50%	0.496	S	S	*	.			trans	100.7	84.3	177.1	-65.5	-175.8	164.8	-177	-5.3	114.9	Q513	R511-Q513 PolarHBondContact O-N 2.76Å
512	D	47.2	Very low	73	Confident	119 Å²	119	94.4 Å²	94.4	64%	0.636	49%	0.487	S	S	*	.			trans	-63.3	96.7	155.8	-58.7	-44.9	0	0	0	108.9
513	Q	57.3	Low	73	Confident	124 Å²	124	88.7 Å²	88.7	58%	0.579	46%	0.463	S	S	*	.			trans	-88	120.9	153.7	-68.8	-175	56.5	0	0	106.3	R511 G515 D516	R511-Q513 PolarHBondContact O-N 2.76Å; Q513-G515 PolarHBondContact O-N 3.08Å; Q513-D516 PolarHBondContact O-N 2.63Å
514	V	54.5	Low	72.9	Confident	118 Å²	118	88.3 Å²	88.3	72%	0.715	46%	0.457	S	S	*	.	H	α-helix	trans	-51.5	-31.2	-177	179.3	0	0	0	0	112.2	D516 E517	V514-D516 VanDerWaalsContact C-N 3.34Å; V514-D516 PolarHBondContact O-N 3.03Å; V514-E517 PolarHBondContact O-N 2.99Å
515	G	59.2	Low	72.9	Confident	46 Å²	46	89.2 Å²	89.2	47%	0.474	47%	0.467	S	S	.	.	H	α-helix	trans	-71.2	-17.5	177.6	0	0	0	0	0	116.2	Q513	Q513-G515 PolarHBondContact O-N 3.08Å
516	D	71.9	Confident	72.8	Confident	56 Å²	56	97.2 Å²	97.2	30%	0.299	50%	0.502	S	S	.	.	H	α-helix	trans	-86.4	-20.3	178.2	-71.8	-26.3	0	0	0	112.2	Q513 V514 R520	Q513-D516 PolarHBondContact O-N 2.63Å; V514-D516 VanDerWaalsContact C-N 3.34Å; V514-D516 PolarHBondContact O-N 3.03Å; D516-R520 WeakPolarHBondContact O-CB 3.42Å; D516-R520 VanDerWaalsContact O-CG 3.24Å; D516-R520 WeakPolarHBondContact O-CG 3.5Å; D516-R520 PolarHBondContact O-N 2.99Å
517	E	80.4	Confident	73.1	Confident	83 Å²	83	94.9 Å²	94.9	39%	0.388	48%	0.483	S	S	.	.	H	α-helix	trans	-65.1	-46.4	177.9	-78.7	-176.2	-178.1	0	0	112.5	V514 K519 R520 N521	V514-E517 PolarHBondContact O-N 2.99Å; E517-K519 VanDerWaalsContact C-N 3.33Å; E517-K519 PolarHBondContact O-N 3.37Å; E517-R520 WeakPolarHBondContact O-CB 3.35Å; E517-R520 PolarHBondContact O-N 2.85Å; E517-R520 IonicContact OE1-NH2 2.99Å; E517-N521 WeakPolarHBondContact O-CB 3.2Å; E517-N521 VanDerWaalsContact O-CG 3.26Å; E517-N521 PolarHBondContact O-N 2.81Å; E517-N521 PolarHBondContact O-ND2 3.08Å
518	E	84.9	Confident	73.8	Confident	130 Å²	130	94 Å²	94	61%	0.607	48%	0.478	S	S	*	.	H	α-helix	trans	-62	-43.2	178.3	-66.6	-177.4	176.6	0	0	111.4	R520 N521 Q522	E518-R520 PolarHBondContact O-N 3.26Å; E518-N521 PolarHBondContact O-N 2.94Å; E518-Q522 WeakPolarHBondContact O-CB 3.3Å; E518-Q522 VanDerWaalsContact O-CG 3.25Å; E518-Q522 WeakPolarHBondContact O-CG 3.36Å; E518-Q522 PolarHBondContact O-N 2.89Å
519	K	85.1	Confident	75	Confident	116 Å²	116	94.3 Å²	94.3	50%	0.504	48%	0.479	S	S	.	.	H	α-helix	trans	-62.8	-41.1	176.3	-66.3	179	-176.3	173.6	0	111.7	V471 E517 L523	V471-K519 HydrophobicContact CG1-CB 4.44Å; V471-K519 HydrophobicContact CG2-CB 4.14Å; V471-K519 HydrophobicContact CG2-CD 4.39Å; E517-K519 VanDerWaalsContact C-N 3.33Å; E517-K519 PolarHBondContact O-N 3.37Å; K519-L523 WeakPolarHBondContact O-CB 3.2Å; K519-L523 PolarHBondContact O-N 3.46Å
520	R	84.9	Confident	76.3	Confident	46 Å²	46	93.6 Å²	93.6	17%	0.174	47%	0.471	C	S	.	.	H	α-helix	trans	-61.6	-48.3	173.9	-75	-173.8	-57.9	-114.5	21.3	111.3	V471 D516 E517 E518 Q522 L523 M524	V471-R520 HydrophobicContact CG1-CB 4.47Å; V471-R520 HydrophobicContact CG1-CG 3.75Å; D516-R520 WeakPolarHBondContact O-CB 3.42Å; D516-R520 VanDerWaalsContact O-CG 3.24Å; D516-R520 WeakPolarHBondContact O-CG 3.5Å; D516-R520 PolarHBondContact O-N 2.99Å; E517-R520 WeakPolarHBondContact O-CB 3.35Å; E517-R520 PolarHBondContact O-N 2.85Å; E517-R520 IonicContact OE1-NH2 2.99Å; E518-R520 PolarHBondContact O-N 3.26Å; R520-Q522 PolarHBondContact O-N 2.92Å; R520-L523 PolarHBondContact O-N 2.77Å; R520-M524 VanDerWaalsContact O-CG 3.31Å; R520-M524 WeakPolarHBondContact O-CG 3.35Å; R520-M524 PolarHBondContact O-N 2.97Å
521	N	86.7	Confident	77.8	Confident	90 Å²	90	92.3 Å²	92.3	48%	0.481	46%	0.46	S	S	.	.	H	α-helix	trans	-62	-43	179.4	-71.3	-20.9	0	0	0	111.7	E517 E518 L523 M524 L525	E517-N521 WeakPolarHBondContact O-CB 3.2Å; E517-N521 VanDerWaalsContact O-CG 3.26Å; E517-N521 PolarHBondContact O-N 2.81Å; E517-N521 PolarHBondContact O-ND2 3.08Å; E518-N521 PolarHBondContact O-N 2.94Å; N521-L523 VanDerWaalsContact C-N 3.34Å; N521-L523 PolarHBondContact O-N 3.02Å; N521-M524 PolarHBondContact O-N 3.13Å; N521-L525 WeakPolarHBondContact O-CB 3.42Å; N521-L525 WeakPolarHBondContact O-CG 3.43Å; N521-L525 PolarHBondContact O-N 3.03Å
522	Q	88.2	Confident	79.6	Confident	113 Å²	113	82.1 Å²	82.1	53%	0.528	42%	0.422	S	S	.	.	H	α-helix	trans	-61	-42.9	174.8	-73.2	178.1	24.1	0	0	111.6	E518 R520 L525 K526	E518-Q522 WeakPolarHBondContact O-CB 3.3Å; E518-Q522 VanDerWaalsContact O-CG 3.25Å; E518-Q522 WeakPolarHBondContact O-CG 3.36Å; E518-Q522 PolarHBondContact O-N 2.89Å; R520-Q522 PolarHBondContact O-N 2.92Å; Q522-L525 PolarHBondContact O-N 3.32Å; Q522-K526 WeakPolarHBondContact O-CB 3.47Å; Q522-K526 PolarHBondContact O-N 2.8Å
523	L	87.7	Confident	81.6	Confident	10 Å²	10	76.5 Å²	76.5	5%	0.052	39%	0.392	C	S	.	.	H	α-helix	trans	-66.2	-38.5	178.1	-173.2	63.1	0	0	0	112.4	V468 V471 L472 I475 L481 K519 R520 N521 G527 V528	V468-L523 HydrophobicContact CG1-CD1 4.15Å; V468-L523 HydrophobicContact CG1-CD2 4.45Å; V471-L523 HydrophobicContact CB-CD2 4.39Å; V471-L523 HydrophobicContact CG1-CD2 3.84Å; L472-L523 HydrophobicContact CD2-CD2 3.68Å; L472-L523 HydrophobicContact CG-CD2 4.11Å; I475-L523 HydrophobicContact CD1-CD2 4.16Å; L481-L523 HydrophobicContact CD2-CD2 4.43Å; L481-L523 HydrophobicContact CD2-CG 4.11Å; K519-L523 WeakPolarHBondContact O-CB 3.2Å; K519-L523 PolarHBondContact O-N 3.46Å; R520-L523 PolarHBondContact O-N 2.77Å; N521-L523 VanDerWaalsContact C-N 3.34Å; N521-L523 PolarHBondContact O-N 3.02Å; L523-G527 WeakPolarHBondContact O-CA 3.45Å; L523-G527 PolarHBondContact O-N 2.92Å; L523-V528 HydrophobicContact CD1-CB 4.49Å; L523-V528 HydrophobicContact CD1-CG2 3.85Å
524	M	87	Confident	83.2	Confident	62 Å²	62	71.4 Å²	71.4	31%	0.305	37%	0.368	S	S	.	.	H	α-helix	trans	-67.1	-39.2	176.2	-70.9	171.3	61.1	0	0	112.3	E480 R520 N521	E480-M524 HydrophobicContact CB-CE 3.84Å; E480-M524 HydrophobicContact CB-CG 4.44Å; E480-M524 HydrophobicContact CB-SD 4.49Å; E480-M524 HydrophobicContact CG-CE 3.97Å; R520-M524 VanDerWaalsContact O-CG 3.31Å; R520-M524 WeakPolarHBondContact O-CG 3.35Å; R520-M524 PolarHBondContact O-N 2.97Å; N521-M524 PolarHBondContact O-N 3.13Å
525	L	86.4	Confident	84.9	Confident	145 Å²	145	66 Å²	66	76%	0.759	34%	0.335	S	S	*	.	H	α-helix	trans	-80	-52.5	-177.8	-71.3	167	0	0	0	112.9	N521 Q522	N521-L525 WeakPolarHBondContact O-CB 3.42Å; N521-L525 WeakPolarHBondContact O-CG 3.43Å; N521-L525 PolarHBondContact O-N 3.03Å; Q522-L525 PolarHBondContact O-N 3.32Å
526	K	83.4	Confident	86.4	Confident	169 Å²	169	65.2 Å²	65.2	74%	0.735	32%	0.319	S	S	*	.	H	α-helix	trans	-92.2	-24.5	-172.5	-64	-175.4	178.4	179.5	0	112.5	Q522	Q522-K526 WeakPolarHBondContact O-CB 3.47Å; Q522-K526 PolarHBondContact O-N 2.8Å
527	G	83.9	Confident	87.4	Confident	8 Å²	8	62.5 Å²	62.5	8%	0.082	31%	0.305	C	S	.	.			trans	83.5	-174.2	-171.3	0	0	0	0	0	112.6	P482 L523	P482-G527 VanDerWaalsContact CG-CA 3.43Å; L523-G527 WeakPolarHBondContact O-CA 3.45Å; L523-G527 PolarHBondContact O-N 2.92Å
528	V	87.5	Confident	87.9	Confident	11 Å²	11	58.7 Å²	58.7	7%	0.067	29%	0.287	C	S	.	.	S	Bend	trans	-65.7	135.3	-180	173	0	0	0	0	110.1	V468 T485 V486 L487 L523 C532	V468-V528 HydrophobicContact CG1-CG1 4.37Å; V468-V528 HydrophobicContact CG1-CG2 4.07Å; T485-V528 HydrophobicContact CG2-CB 3.54Å; T485-V528 HydrophobicContact CG2-CG2 3.32Å; V486-V528 WeakPolarHBondContact O-CG1 3.49Å; L487-V528 HydrophobicContact CB-CG1 4.48Å; L487-V528 HydrophobicContact CB-CG2 4.45Å; L487-V528 HydrophobicContact CD1-CG1 3.91Å; L523-V528 HydrophobicContact CD1-CB 4.49Å; L523-V528 HydrophobicContact CD1-CG2 3.85Å; V528-C532 HydrophobicContact CG1-CB 3.69Å
529	P	89.2	Confident	88.2	Confident	67 Å²	67	55.3 Å²	55.3	44%	0.435	27%	0.271	S	S	.	.			trans	-58.9	143	175.3	-24	33.6	0	0	0	112.6	Q531 C532 C533	P529-Q531 VanDerWaalsContact C-N 3.27Å; P529-Q531 PolarHBondContact O-N 3.46Å; P529-C532 WeakPolarHBondContact O-CB 3.38Å; P529-C532 PolarHBondContact O-N 3.47Å; P529-C533 PolarHBondContact O-SG 3.47Å
530	L	87.4	Confident	88.3	Confident	83 Å²	83	54.4 Å²	54.4	44%	0.435	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-54.7	-40.3	-175.4	178.3	62.8	0	0	0	113.5	S272 A274 P301 C532 C533	S272-L530 WeakPolarHBondContact O-CD1 3.34Å; A274-L530 HydrophobicContact CB-CD1 4.25Å; P301-L530 HydrophobicContact CB-CD1 4.21Å; L530-C532 VanDerWaalsContact C-N 3.27Å; L530-C532 PolarHBondContact O-N 3.46Å; L530-C533 WeakPolarHBondContact O-CB 3.46Å; L530-C533 PolarHBondContact O-N 2.92Å; L530-C533 VanDerWaalsContact O-N 3.12Å
531	Q	88	Confident	88.6	Confident	126 Å²	126	56 Å²	56	59%	0.589	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-57.9	-43.2	178.9	-65.1	175.2	3.9	0	0	110.7	L461 P529 C533 Q534	L461-Q531 HydrophobicContact CD1-CB 4.19Å; L461-Q531 WeakPolarHBondContact CD1-O 3.36Å; P529-Q531 VanDerWaalsContact C-N 3.27Å; P529-Q531 PolarHBondContact O-N 3.46Å; Q531-C533 PolarHBondContact O-N 2.62Å; Q531-Q534 WeakPolarHBondContact O-CB 2.94Å; Q531-Q534 PolarHBondContact O-N 3.45Å
532	C	90.2	Very high	88.8	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.014	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-69.2	-15.1	-179.2	-64.4	0	0	0	0	113.9	Q465 L487 G488 V528 P529 L530 Q534	Q465-C532 HydrophobicContact CG-CB 3.97Å; Q465-C532 PolarHBondContact NE2-O 2.95Å; L487-C532 HydrophobicContact CD1-CB 4Å; G488-C532 PolarHBondContact N-O 3.47Å; V528-C532 HydrophobicContact CG1-CB 3.69Å; P529-C532 WeakPolarHBondContact O-CB 3.38Å; P529-C532 PolarHBondContact O-N 3.47Å; L530-C532 VanDerWaalsContact C-N 3.27Å; L530-C532 PolarHBondContact O-N 3.46Å; C532-Q534 VanDerWaalsContact C-N 3.26Å; C532-Q534 PolarHBondContact O-N 2.65Å
533	C	90.2	Very high	88.9	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.007	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-74.7	-15.7	177.3	-55.9	0	0	0	0	113	P301 V486 P529 L530 Q531	P301-C533 HydrophobicContact CG-CB 3.93Å; V486-C533 PolarHBondContact O-SG 3.32Å; P529-C533 PolarHBondContact O-SG 3.47Å; L530-C533 WeakPolarHBondContact O-CB 3.46Å; L530-C533 PolarHBondContact O-N 2.92Å; L530-C533 VanDerWaalsContact O-N 3.12Å; Q531-C533 PolarHBondContact O-N 2.62Å
534	Q	89.8	Confident	88.9	Confident	18 Å²	18	50.9 Å²	50.9	8%	0.084	26%	0.26	C	S	.	.			trans	-68	136.1	179.2	-174.2	61.9	20.6	0	0	111.1	L461 Q465 Q531 C532	L461-Q534 HydrophobicContact CD2-CB 4.24Å; L461-Q534 HydrophobicContact CD2-CG 4.41Å; Q465-Q534 PolarHBondContact NE2-O 2.78Å; Q531-Q534 WeakPolarHBondContact O-CB 2.94Å; Q531-Q534 PolarHBondContact O-N 3.45Å; C532-Q534 VanDerWaalsContact C-N 3.26Å; C532-Q534 PolarHBondContact O-N 2.65Å
535	S	90.9	Very high	89	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.021	26%	0.256	C	S	.	.			trans	-135.7	154	176.9	179.9	0	0	0	0	110.4	L537 W538 V581	S535-L537 VanDerWaalsContact C-N 3.28Å; S535-L537 PolarHBondContact OG-N 2.77Å; S535-W538 VanDerWaalsContact O-CD1 3.29Å; S535-V581 PolarHBondContact OG-O 3.21Å
536	F	90.8	Very high	89.2	Confident	30 Å²	30	43.2 Å²	43.2	13%	0.132	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-86	-3	175.5	-59.3	-77.1	0	0	0	112.7	W448 H452 W538 E539 V542 P580	W448-F536 HydrophobicContact CH2-CB 4.18Å; W448-F536 HydrophobicContact CH2-CD2 4.27Å; W448-F536 HydrophobicContact CH2-CG 4.36Å; W448-F536 HydrophobicContact CZ3-CB 3.92Å; W448-F536 HydrophobicContact CZ3-CD2 4.05Å; W448-F536 AromaticContact CZ3-CG 3.88Å; W448-F536 HydrophobicContact CZ3-CG 3.88Å; H452-F536 AromaticContact CD2-CE1 3.65Å; H452-F536 AromaticContact CD2-CZ 3.64Å; H452-F536 AromaticContact CE1-CE2 3.57Å; H452-F536 AromaticContact CE1-CZ 3.65Å; H452-F536 AromaticContact NE2-CD2 3.99Å; H452-F536 AromaticContact NE2-CE1 3.3Å; H452-F536 VanDerWaalsContact NE2-CE1 3.3Å; H452-F536 WeakPolarHBondContact NE2-CE1 3.47Å; H452-F536 AromaticContact NE2-CE2 3.17Å; H452-F536 WeakPolarHBondContact NE2-CE2 3.45Å; H452-F536 AromaticContact NE2-CZ 2.79Å; H452-F536 WeakPolarHBondContact NE2-CZ 3.28Å; F536-W538 PolarHBondContact O-N 2.83Å; F536-E539 PolarHBondContact O-N 2.93Å; F536-V542 HydrophobicContact CB-CG1 4.26Å; F536-P580 HydrophobicContact CB-CB 3.98Å; F536-P580 HydrophobicContact CB-CG 4.42Å
537	L	92.1	Very high	89.4	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-63.4	-20.6	175.6	-171.2	64.9	0	0	0	113.1	W312 I415 S535 E539 R543 L582 L605 P607	W312-L537 HydrophobicContact CH2-CB 4.46Å; W312-L537 HydrophobicContact CH2-CD2 4.18Å; W312-L537 HydrophobicContact CH2-CG 4.04Å; W312-L537 HydrophobicContact CZ3-CD2 4.4Å; I415-L537 HydrophobicContact CG2-CD2 4.45Å; S535-L537 VanDerWaalsContact C-N 3.28Å; S535-L537 PolarHBondContact OG-N 2.77Å; L537-E539 VanDerWaalsContact C-N 3.31Å; L537-R543 HydrophobicContact CD1-CG 4.11Å; L537-R543 WeakPolarHBondContact O-CD 3.33Å; L537-L582 HydrophobicContact CD2-CB 4.19Å; L537-L605 HydrophobicContact CD2-CB 3.86Å; L537-P607 HydrophobicContact CD1-CB 4.11Å; L537-P607 HydrophobicContact CD1-CG 4.37Å
538	W	91.4	Very high	89.5	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.008	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-70.2	-26.5	178	-65	92.8	0	0	0	113	L298 R300 Q310 W312 S535 F536	L298-W538 HydrophobicContact CB-CH2 4.46Å; L298-W538 HydrophobicContact CD2-CH2 4.24Å; L298-W538 HydrophobicContact CD2-CZ2 3.78Å; L298-W538 HydrophobicContact CG-CH2 4.09Å; L298-W538 HydrophobicContact CG-CZ2 3.95Å; L298-W538 WeakPolarHBondContact O-CH2 3.47Å; R300-W538 HydrophobicContact CB-CD2 4.15Å; R300-W538 HydrophobicContact CB-CE3 4.11Å; R300-W538 HydrophobicContact CB-CH2 4.34Å; R300-W538 HydrophobicContact CB-CZ2 4.36Å; R300-W538 HydrophobicContact CB-CZ3 4.18Å; R300-W538 HydrophobicContact CG-CD2 4.2Å; R300-W538 HydrophobicContact CG-CG 4.32Å; Q310-W538 HydrophobicContact CB-CE3 4.31Å; Q310-W538 HydrophobicContact CB-CZ3 4.44Å; W312-W538 HydrophobicContact CB-CH2 4.02Å; W312-W538 HydrophobicContact CB-CZ3 4.05Å; W312-W538 AromaticContact CD1-CE3 3.94Å; W312-W538 AromaticContact CD1-CZ3 3.35Å; W312-W538 HydrophobicContact CD2-CD2 4.34Å; W312-W538 AromaticContact CD2-CE3 3.67Å; W312-W538 HydrophobicContact CD2-CE3 3.67Å; W312-W538 AromaticContact CD2-CH2 3.42Å; W312-W538 HydrophobicContact CD2-CH2 3.42Å; W312-W538 VanDerWaalsContact CD2-CH2 3.42Å; W312-W538 HydrophobicContact CD2-CZ2 4.13Å; W312-W538 AromaticContact CD2-CZ3 3.17Å; W312-W538 HydrophobicContact CD2-CZ3 3.17Å; W312-W538 AromaticContact CE2-CD2 3.94Å; W312-W538 AromaticContact CE2-CE3 3.23Å; W312-W538 AromaticContact CE2-CH2 3.95Å; W312-W538 AromaticContact CE2-CZ3 3.26Å; W312-W538 HydrophobicContact CE3-CD2 4.47Å; W312-W538 HydrophobicContact CE3-CE3 4.22Å; W312-W538 AromaticContact CE3-CH2 3.56Å; W312-W538 HydrophobicContact CE3-CH2 3.56Å; W312-W538 AromaticContact CE3-CZ2 3.85Å; W312-W538 HydrophobicContact CE3-CZ2 3.85Å; W312-W538 AromaticContact CE3-CZ3 3.79Å; W312-W538 HydrophobicContact CE3-CZ3 3.79Å; W312-W538 HydrophobicContact CG-CE3 4.12Å; W312-W538 AromaticContact CG-CH2 3.63Å; W312-W538 HydrophobicContact CG-CH2 3.63Å; W312-W538 AromaticContact CG-CZ3 3.27Å; W312-W538 HydrophobicContact CG-CZ3 3.27Å; W312-W538 AromaticContact CH2-CD2 3.86Å; W312-W538 HydrophobicContact CH2-CD2 3.86Å; W312-W538 HydrophobicContact CH2-CE3 4.03Å; W312-W538 HydrophobicContact CH2-CG 4.24Å; W312-W538 HydrophobicContact CH2-CZ2 4.5Å; W312-W538 HydrophobicContact CH2-CZ3 4.43Å; W312-W538 HydrophobicContact CZ2-CB 4.49Å; W312-W538 AromaticContact CZ2-CD2 3.72Å; W312-W538 HydrophobicContact CZ2-CD2 3.72Å; W312-W538 AromaticContact CZ2-CE3 3.47Å; W312-W538 HydrophobicContact CZ2-CE3 3.47Å; W312-W538 VanDerWaalsContact CZ2-CE3 3.47Å; W312-W538 HydrophobicContact CZ2-CG 4.2Å; W312-W538 AromaticContact CZ2-CZ3 3.94Å; W312-W538 HydrophobicContact CZ2-CZ3 3.94Å; W312-W538 HydrophobicContact CZ3-CD2 4.25Å; W312-W538 HydrophobicContact CZ3-CE3 4.38Å; W312-W538 HydrophobicContact CZ3-CH2 4.18Å; W312-W538 HydrophobicContact CZ3-CZ2 4.05Å; W312-W538 HydrophobicContact CZ3-CZ3 4.36Å; W312-W538 AromaticContact NE1-CE3 3.41Å; W312-W538 AromaticContact NE1-CZ3 3.33Å; W312-W538 VanDerWaalsContact NE1-CZ3 3.33Å; S535-W538 VanDerWaalsContact O-CD1 3.29Å; F536-W538 PolarHBondContact O-N 2.83Å
539	E	90.2	Very high	89.4	Confident	59 Å²	59	42.8 Å²	42.8	28%	0.276	23%	0.225	S	C	.	.			trans	-82.1	131.2	-178.6	-59.8	-57.1	156.7	0	0	111.2	R300 F536 L537 V542 R543	R300-E539 IonicContact CZ-OE1 3.2Å; R300-E539 VanDerWaalsContact CZ-OE1 3.23Å; R300-E539 IonicContact NH1-OE1 3.65Å; R300-E539 PolarHBondContact NH1-OE1 2.93Å; R300-E539 IonicContact NH2-OE1 2.93Å; R300-E539 PolarHBondContact NH2-OE1 3.49Å; F536-E539 PolarHBondContact O-N 2.93Å; L537-E539 VanDerWaalsContact C-N 3.31Å; E539-V542 HydrophobicContact CB-CB 4.18Å; E539-V542 HydrophobicContact CB-CG2 3.85Å; E539-R543 WeakPolarHBondContact O-CG 3.45Å; E539-R543 PolarHBondContact O-N 3.32Å
540	Q	88.9	Confident	89.3	Confident	98 Å²	98	42.6 Å²	42.6	46%	0.458	22%	0.217	S	C	.	.	H	α-helix	trans	-67.7	-44.4	-180	178.9	174.2	-9.4	0	0	111.9	V542 R543 E544	Q540-V542 VanDerWaalsContact C-N 3.29Å; Q540-V542 PolarHBondContact O-N 3.49Å; Q540-R543 WeakPolarHBondContact O-CB 3.31Å; Q540-R543 PolarHBondContact O-N 2.72Å; Q540-E544 HydrophobicContact CG-CG 4.49Å; Q540-E544 VanDerWaalsContact CG-OE1 3.22Å; Q540-E544 WeakPolarHBondContact CG-OE1 3.32Å; Q540-E544 PolarHBondContact NE2-OE1 3.02Å; Q540-E544 PolarHBondContact O-N 3.34Å
541	S	90.2	Very high	89.2	Confident	80 Å²	80	39.5 Å²	39.5	56%	0.559	20%	0.201	S	C	*	.	H	α-helix	trans	-57.3	-40.8	179.1	54.2	0	0	0	0	112.6	N545	S541-N545 VanDerWaalsContact O-CB 3.28Å; S541-N545 WeakPolarHBondContact O-CB 3.43Å; S541-N545 PolarHBondContact O-N 3.43Å
542	V	90.4	Very high	89.1	Confident	14 Å²	14	36.6 Å²	36.6	9%	0.085	20%	0.195	C	C	.	.	H	α-helix	trans	-67	-40.9	177.1	179.4	0	0	0	0	110.8	W448 F536 E539 Q540 V546 P580	W448-V542 HydrophobicContact CD2-CG1 3.7Å; W448-V542 HydrophobicContact CE3-CG1 3.95Å; W448-V542 HydrophobicContact CE3-CG2 4.34Å; W448-V542 HydrophobicContact CG-CG1 4.07Å; W448-V542 HydrophobicContact CH2-CG1 4.49Å; W448-V542 HydrophobicContact CZ2-CG1 4.31Å; W448-V542 HydrophobicContact CZ3-CG1 4.32Å; F536-V542 HydrophobicContact CB-CG1 4.26Å; E539-V542 HydrophobicContact CB-CB 4.18Å; E539-V542 HydrophobicContact CB-CG2 3.85Å; Q540-V542 VanDerWaalsContact C-N 3.29Å; Q540-V542 PolarHBondContact O-N 3.49Å; V542-V546 HydrophobicContact CG1-CG2 4.31Å; V542-V546 WeakPolarHBondContact O-CB 3.44Å; V542-V546 WeakPolarHBondContact O-CG2 3.14Å; V542-V546 PolarHBondContact O-N 3.4Å; V542-P580 HydrophobicContact CG1-CG 3.84Å
543	R	90.1	Very high	88.9	Confident	10 Å²	10	42.8 Å²	42.8	4%	0.038	22%	0.224	C	C	.	.	H	α-helix	trans	-61.8	-48.1	177.3	-72	-172.9	-70.6	125.6	-5.1	111.5	E414 L537 E539 Q540 V546 T547 P607	E414-R543 IonicContact OE2-NH1 2.75Å; E414-R543 PolarHBondContact OE2-NH1 2.85Å; L537-R543 HydrophobicContact CD1-CG 4.11Å; L537-R543 WeakPolarHBondContact O-CD 3.33Å; E539-R543 WeakPolarHBondContact O-CG 3.45Å; E539-R543 PolarHBondContact O-N 3.32Å; Q540-R543 WeakPolarHBondContact O-CB 3.31Å; Q540-R543 PolarHBondContact O-N 2.72Å; R543-V546 PolarHBondContact O-N 3.23Å; R543-T547 WeakPolarHBondContact O-CB 3.44Å; R543-T547 PolarHBondContact O-N 2.99Å; R543-T547 PolarHBondContact O-OG1 2.84Å; R543-P607 HydrophobicContact CG-CB 4.42Å
544	E	88.3	Confident	88.7	Confident	81 Å²	81	50.6 Å²	50.6	38%	0.379	26%	0.26	S	S	.	.	H	α-helix	trans	-62	-50.1	178.6	-71.3	164.6	-177	0	0	111	Q540 V546 T547 D548	Q540-E544 HydrophobicContact CG-CG 4.49Å; Q540-E544 VanDerWaalsContact CG-OE1 3.22Å; Q540-E544 WeakPolarHBondContact CG-OE1 3.32Å; Q540-E544 PolarHBondContact NE2-OE1 3.02Å; Q540-E544 PolarHBondContact O-N 3.34Å; E544-V546 VanDerWaalsContact C-N 3.31Å; E544-V546 PolarHBondContact O-N 2.83Å; E544-T547 PolarHBondContact O-N 3.15Å; E544-D548 PolarHBondContact O-N 3.18Å
545	N	90	Very high	88.6	Confident	40 Å²	40	52.3 Å²	52.3	21%	0.214	27%	0.268	C	S	.	.	H	α-helix	trans	-56	-42.9	177.9	-173.1	-92.4	0	0	0	112.6	P446 W448 S541 N549	P446-N545 PolarHBondContact O-ND2 3.13Å; W448-N545 PolarHBondContact N-OD1 3.19Å; S541-N545 VanDerWaalsContact O-CB 3.28Å; S541-N545 WeakPolarHBondContact O-CB 3.43Å; S541-N545 PolarHBondContact O-N 3.43Å; N545-N549 PolarHBondContact ND2-ND2 2.51Å; N545-N549 VanDerWaalsContact O-CB 3.3Å; N545-N549 WeakPolarHBondContact O-CB 3.3Å; N545-N549 PolarHBondContact O-N 3.03Å; N545-N549 PolarHBondContact O-ND2 3.49Å; N545-N549 PolarHBondContact OD1-ND2 3.18Å
546	V	89.4	Confident	88.5	Confident	5 Å²	5	52.3 Å²	52.3	3%	0.03	27%	0.268	C	S	.	.	H	α-helix	trans	-71	-33.9	179.4	168.8	0	0	0	0	112.1	V542 R543 E544 V579 P607 W610	V542-V546 HydrophobicContact CG1-CG2 4.31Å; V542-V546 WeakPolarHBondContact O-CB 3.44Å; V542-V546 WeakPolarHBondContact O-CG2 3.14Å; V542-V546 PolarHBondContact O-N 3.4Å; R543-V546 PolarHBondContact O-N 3.23Å; E544-V546 VanDerWaalsContact C-N 3.31Å; E544-V546 PolarHBondContact O-N 2.83Å; V546-V579 HydrophobicContact CG1-CB 4.5Å; V546-V579 HydrophobicContact CG1-CG1 4.18Å; V546-V579 HydrophobicContact CG1-CG2 4.12Å; V546-P607 HydrophobicContact CG1-CG 3.9Å; V546-W610 HydrophobicContact CG1-CZ2 4.41Å; V546-W610 PolarHBondContact O-NE1 3.47Å
547	T	87.7	Confident	88.3	Confident	6 Å²	6	54 Å²	54	4%	0.037	28%	0.278	C	S	.	.	H	α-helix	trans	-72	-43.4	178.7	-67.6	0	0	0	0	111.4	I385 R543 E544 K550 K608	I385-T547 HydrophobicContact CD1-CG2 3.38Å; I385-T547 HydrophobicContact CG2-CG2 4.01Å; R543-T547 WeakPolarHBondContact O-CB 3.44Å; R543-T547 PolarHBondContact O-N 2.99Å; R543-T547 PolarHBondContact O-OG1 2.84Å; E544-T547 PolarHBondContact O-N 3.15Å; T547-K550 WeakPolarHBondContact O-CB 3.43Å; T547-K608 HydrophobicContact CG2-CG 4.11Å; T547-K608 PolarHBondContact OG1-O 2.91Å
548	D	86.2	Confident	88	Confident	120 Å²	120	60.5 Å²	60.5	64%	0.642	30%	0.303	S	S	*	.	H	α-helix	trans	-76.5	-37.9	-174.4	-64.8	-23.7	0	0	0	112.6	E544 K550	E544-D548 PolarHBondContact O-N 3.18Å; D548-K550 PolarHBondContact O-N 3.34Å
549	N	85.8	Confident	87.7	Confident	54 Å²	54	63.1 Å²	63.1	29%	0.289	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	9.8	-179.5	-67.5	-56	0	0	0	114	F447 N545 I551	F447-N549 HydrophobicContact CD1-CB 4.26Å; F447-N549 HydrophobicContact CE1-CB 4.05Å; N545-N549 PolarHBondContact ND2-ND2 2.51Å; N545-N549 VanDerWaalsContact O-CB 3.3Å; N545-N549 WeakPolarHBondContact O-CB 3.3Å; N545-N549 PolarHBondContact O-N 3.03Å; N545-N549 PolarHBondContact O-ND2 3.49Å; N545-N549 PolarHBondContact OD1-ND2 3.18Å; N549-I551 PolarHBondContact O-N 3.12Å
550	K	86.4	Confident	87.4	Confident	63 Å²	63	63.9 Å²	63.9	27%	0.274	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-69.4	121.5	-173.9	-177.5	-177.2	176.9	-165.3	0	112.9	T547 D548 S552 G609 W610	T547-K550 WeakPolarHBondContact O-CB 3.43Å; D548-K550 PolarHBondContact O-N 3.34Å; K550-S552 PolarHBondContact O-N 3.35Å; K550-G609 PolarHBondContact NZ-O 3.19Å; K550-W610 HydrophobicContact CB-CZ2 4.08Å; K550-W610 HydrophobicContact CD-CD2 4.11Å; K550-W610 HydrophobicContact CD-CG 4.42Å; K550-W610 HydrophobicContact CD-CZ2 4.36Å; K550-W610 HydrophobicContact CG-CD2 4.39Å; K550-W610 HydrophobicContact CG-CH2 4.2Å; K550-W610 HydrophobicContact CG-CZ2 3.75Å
551	I	85.4	Confident	87.3	Confident	17 Å²	17	64.8 Å²	64.8	9%	0.087	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-62.7	132.2	173.5	-59.9	160.3	0	0	0	112.2	R495 N549 E555 L556 P574 Q576	R495-I551 PolarHBondContact NH1-O 2.95Å; R495-I551 VanDerWaalsContact NH1-O 3.07Å; R495-I551 PolarHBondContact NH2-O 2.65Å; R495-I551 VanDerWaalsContact NH2-O 3.13Å; N549-I551 PolarHBondContact O-N 3.12Å; I551-E555 HydrophobicContact CG2-CB 3.94Å; I551-E555 HydrophobicContact CG2-CG 4.01Å; I551-L556 HydrophobicContact CG2-CB 4.5Å; I551-P574 HydrophobicContact CD1-CB 3.56Å; I551-P574 HydrophobicContact CD1-CG 3.37Å; I551-Q576 HydrophobicContact CD1-CB 4.02Å; I551-Q576 HydrophobicContact CG1-CB 4.16Å
552	S	87.1	Confident	87.1	Confident	66 Å²	66	67 Å²	67	46%	0.462	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-64.8	149	178.4	89.2	0	0	0	0	112.5	K550 Q554 E555 L556	K550-S552 PolarHBondContact O-N 3.35Å; S552-Q554 VanDerWaalsContact C-N 3.25Å; S552-Q554 PolarHBondContact O-N 3.04Å; S552-E555 PolarHBondContact O-N 2.96Å; S552-E555 VanDerWaalsContact OG-CB 3.29Å; S552-E555 WeakPolarHBondContact OG-CB 3.46Å; S552-E555 PolarHBondContact OG-N 3.2Å; S552-E555 VanDerWaalsContact OG-N 3.15Å; S552-L556 PolarHBondContact O-N 3.39Å; S552-L556 VanDerWaalsContact O-N 3.12Å
553	E	85.1	Confident	86.8	Confident	132 Å²	132	69 Å²	69	62%	0.617	34%	0.34	S	S	*	.	H	α-helix	trans	-66	-29.4	179.1	-171.5	179.2	179	0	0	112.6	N557	E553-N557 WeakPolarHBondContact O-CB 3.4Å; E553-N557 VanDerWaalsContact O-CG 3.29Å; E553-N557 PolarHBondContact O-N 3.08Å; E553-N557 PolarHBondContact O-ND2 2.87Å
554	Q	87.5	Confident	86.3	Confident	165 Å²	165	76.6 Å²	76.6	77%	0.771	38%	0.38	S	S	*	.	H	α-helix	trans	-69	-44.5	177.1	180	171.3	-17.1	0	0	110.7	S552 N557 R558	S552-Q554 VanDerWaalsContact C-N 3.25Å; S552-Q554 PolarHBondContact O-N 3.04Å; Q554-N557 PolarHBondContact O-N 2.87Å; Q554-R558 PolarHBondContact O-N 3.44Å
555	E	87.7	Confident	85.8	Confident	54 Å²	54	77.5 Å²	77.5	25%	0.252	39%	0.391	S	S	.	.	H	α-helix	trans	-60.7	-49.4	177.8	-173.8	53.6	-142.5	0	0	111.7	I551 S552 N557 R558 M559	I551-E555 HydrophobicContact CG2-CB 3.94Å; I551-E555 HydrophobicContact CG2-CG 4.01Å; S552-E555 PolarHBondContact O-N 2.96Å; S552-E555 VanDerWaalsContact OG-CB 3.29Å; S552-E555 WeakPolarHBondContact OG-CB 3.46Å; S552-E555 PolarHBondContact OG-N 3.2Å; S552-E555 VanDerWaalsContact OG-N 3.15Å; E555-N557 PolarHBondContact O-N 2.99Å; E555-R558 VanDerWaalsContact CD-CZ 3.4Å; E555-R558 WeakPolarHBondContact O-CA 3.45Å; E555-R558 VanDerWaalsContact O-CB 3.3Å; E555-R558 WeakPolarHBondContact O-CB 3.46Å; E555-R558 PolarHBondContact O-N 3.11Å; E555-R558 IonicContact OE1-CZ 2.71Å; E555-R558 IonicContact OE1-NE 3.59Å; E555-R558 PolarHBondContact OE1-NE 2.82Å; E555-R558 IonicContact OE1-NH2 2.86Å; E555-R558 PolarHBondContact OE1-NH2 3.27Å; E555-R558 IonicContact OE2-CZ 3.64Å; E555-R558 IonicContact OE2-NE 2.85Å; E555-R558 PolarHBondContact OE2-NE 3.16Å; E555-R558 VanDerWaalsContact OE2-NE 3.13Å; E555-R558 IonicContact OE2-NH1 2.76Å; E555-R558 IonicContact OE2-NH2 3.46Å; E555-R558 PolarHBondContact OE2-NH2 2.95Å; E555-M559 WeakPolarHBondContact O-CG 3.5Å; E555-M559 PolarHBondContact O-N 3.15Å
556	L	87	Confident	84.8	Confident	2 Å²	2	80.1 Å²	80.1	1%	0.01	41%	0.41	C	S	.	.	H	α-helix	trans	-60.1	-35.5	179	-170	65.9	0	0	0	112.6	R495 L496 I551 S552 R560 L570	R495-L556 HydrophobicContact CB-CD2 3.49Å; R495-L556 VanDerWaalsContact CB-CD2 3.49Å; R495-L556 HydrophobicContact CG-CD2 4.34Å; L496-L556 HydrophobicContact CD2-CD1 3.78Å; I551-L556 HydrophobicContact CG2-CB 4.5Å; S552-L556 PolarHBondContact O-N 3.39Å; S552-L556 VanDerWaalsContact O-N 3.12Å; L556-R560 WeakPolarHBondContact O-CG 3Å; L556-R560 PolarHBondContact O-N 2.79Å; L556-R560 VanDerWaalsContact O-N 3.15Å; L556-L570 HydrophobicContact CD1-CD1 3.7Å
557	N	86.4	Confident	83.7	Confident	66 Å²	66	82.4 Å²	82.4	35%	0.353	44%	0.435	S	S	.	.	H	α-helix	trans	-73.2	-31.7	175.1	-74.1	-40.3	0	0	0	112.8	E553 Q554 E555 R560 T561	E553-N557 WeakPolarHBondContact O-CB 3.4Å; E553-N557 VanDerWaalsContact O-CG 3.29Å; E553-N557 PolarHBondContact O-N 3.08Å; E553-N557 PolarHBondContact O-ND2 2.87Å; Q554-N557 PolarHBondContact O-N 2.87Å; E555-N557 PolarHBondContact O-N 2.99Å; N557-R560 PolarHBondContact OD1-NH1 2.9Å; N557-T561 PolarHBondContact O-N 3.02Å; N557-T561 VanDerWaalsContact O-N 3.16Å; N557-T561 PolarHBondContact O-OG1 3.15Å
558	R	87.8	Confident	83.1	Confident	136 Å²	136	84.7 Å²	84.7	51%	0.513	45%	0.451	S	S	.	.	H	α-helix	trans	-62.3	-52.5	172	177.2	175.7	72	-180	14.5	109.9	Q554 E555 R560 T561 E562	Q554-R558 PolarHBondContact O-N 3.44Å; E555-R558 VanDerWaalsContact CD-CZ 3.4Å; E555-R558 WeakPolarHBondContact O-CA 3.45Å; E555-R558 VanDerWaalsContact O-CB 3.3Å; E555-R558 WeakPolarHBondContact O-CB 3.46Å; E555-R558 PolarHBondContact O-N 3.11Å; E555-R558 IonicContact OE1-CZ 2.71Å; E555-R558 IonicContact OE1-NE 3.59Å; E555-R558 PolarHBondContact OE1-NE 2.82Å; E555-R558 IonicContact OE1-NH2 2.86Å; E555-R558 PolarHBondContact OE1-NH2 3.27Å; E555-R558 IonicContact OE2-CZ 3.64Å; E555-R558 IonicContact OE2-NE 2.85Å; E555-R558 PolarHBondContact OE2-NE 3.16Å; E555-R558 VanDerWaalsContact OE2-NE 3.13Å; E555-R558 IonicContact OE2-NH1 2.76Å; E555-R558 IonicContact OE2-NH2 3.46Å; E555-R558 PolarHBondContact OE2-NH2 2.95Å; R558-R560 VanDerWaalsContact C-N 3.3Å; R558-R560 PolarHBondContact O-N 3.13Å; R558-T561 WeakPolarHBondContact O-CA 2.84Å; R558-T561 WeakPolarHBondContact O-CB 3.42Å; R558-T561 PolarHBondContact O-N 3Å; R558-E562 WeakPolarHBondContact CG-OE1 2.97Å; R558-E562 PolarHBondContact O-N 3.31Å
559	M	85	Confident	82.3	Confident	57 Å²	57	85.2 Å²	85.2	28%	0.281	44%	0.444	S	S	.	.	H	α-helix	trans	-54.8	-43.5	176.4	-61.5	173.5	75.1	0	0	112.3	E555 T561 E562 L563 L570	E555-M559 WeakPolarHBondContact O-CG 3.5Å; E555-M559 PolarHBondContact O-N 3.15Å; M559-T561 PolarHBondContact O-N 3.48Å; M559-E562 PolarHBondContact O-N 3.08Å; M559-L563 PolarHBondContact O-N 3.21Å; M559-L570 HydrophobicContact CB-CD2 3.81Å
560	R	83.8	Confident	81.5	Confident	75 Å²	75	84 Å²	84	28%	0.283	44%	0.438	S	S	.	.	H	α-helix	trans	-63.8	-27.1	175.5	-73.9	177.7	-171.6	138.7	0.4	114.2	R495 L556 N557 R558 L570	R495-R560 VanDerWaalsContact C-NH2 3.3Å; R495-R560 PolarHBondContact O-NH2 3Å; L556-R560 WeakPolarHBondContact O-CG 3Å; L556-R560 PolarHBondContact O-N 2.79Å; L556-R560 VanDerWaalsContact O-N 3.15Å; N557-R560 PolarHBondContact OD1-NH1 2.9Å; R558-R560 VanDerWaalsContact C-N 3.3Å; R558-R560 PolarHBondContact O-N 3.13Å; R560-L570 HydrophobicContact CG-CD1 3.9Å; R560-L570 HydrophobicContact CG-CG 4.32Å
561	T	85.3	Confident	80.2	Confident	118 Å²	118	83.5 Å²	83.5	72%	0.724	45%	0.45	S	S	*	.	H	α-helix	trans	-82	-31.5	-179.8	-54.6	0	0	0	0	110.9	N557 R558 M559 L563	N557-T561 PolarHBondContact O-N 3.02Å; N557-T561 VanDerWaalsContact O-N 3.16Å; N557-T561 PolarHBondContact O-OG1 3.15Å; R558-T561 WeakPolarHBondContact O-CA 2.84Å; R558-T561 WeakPolarHBondContact O-CB 3.42Å; R558-T561 PolarHBondContact O-N 3Å; M559-T561 PolarHBondContact O-N 3.48Å; T561-L563 VanDerWaalsContact C-N 3.32Å
562	E	87.1	Confident	79	Confident	126 Å²	126	88.9 Å²	88.9	59%	0.589	49%	0.486	S	S	*	.	H	α-helix	trans	-71.5	-25.6	175.5	-70	165.2	-178.1	0	0	112.5	R558 M559 L564	R558-E562 WeakPolarHBondContact CG-OE1 2.97Å; R558-E562 PolarHBondContact O-N 3.31Å; M559-E562 PolarHBondContact O-N 3.08Å; E562-L564 PolarHBondContact O-N 3.37Å
563	L	83.5	Confident	77.7	Confident	55 Å²	55	86.5 Å²	86.5	29%	0.288	47%	0.472	S	S	.	.			trans	-61	119.2	172.3	-71.6	179.9	0	0	0	111.8	M559 T561 V565 L570	M559-L563 PolarHBondContact O-N 3.21Å; T561-L563 VanDerWaalsContact C-N 3.32Å; L563-V565 PolarHBondContact O-N 3.42Å; L563-L570 HydrophobicContact CD1-CD2 3.49Å; L563-L570 VanDerWaalsContact CD1-CD2 3.49Å; L563-L570 HydrophobicContact CD1-CG 3.86Å; L563-L570 HydrophobicContact CD2-CD2 4.25Å; L563-L570 HydrophobicContact CG-CD2 3.79Å
564	L	79.8	Confident	76.9	Confident	171 Å²	171	81.7 Å²	81.7	90%	0.895	45%	0.452	S	S	*	.	S	Bend	trans	-61.8	-39.1	-179.9	-66.4	173.7	0	0	0	113	E562 P566	E562-L564 PolarHBondContact O-N 3.37Å; L564-P566 WeakPolarHBondContact O-CD 3.46Å
565	V	77.6	Confident	75.9	Confident	100 Å²	100	76.8 Å²	76.8	61%	0.606	43%	0.429	S	S	*	.	S	Bend	trans	-90	106.6	-179.5	-179.2	0	0	0	0	109.4	L563 G567 S568	L563-V565 PolarHBondContact O-N 3.42Å; V565-G567 PolarHBondContact O-N 2.94Å; V565-S568 PolarHBondContact O-N 3.02Å; V565-S568 PolarHBondContact O-OG 3.38Å
566	P	68.9	Low	74.9	Confident	94 Å²	94	78.1 Å²	78.1	61%	0.61	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	116.7	-175.6	-19	35.1	0	0	0	109.3	R500 L564	R500-P566 PolarHBondContact NH1-O 3.12Å; R500-P566 PolarHBondContact NH2-O 3.44Å; L564-P566 WeakPolarHBondContact O-CD 3.46Å
567	G	66.1	Low	74.3	Confident	54 Å²	54	78.2 Å²	78.2	56%	0.557	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.1	1.7	171.3	0	0	0	0	0	114.4	V565	V565-G567 PolarHBondContact O-N 2.94Å
568	S	75.7	Confident	74.4	Confident	53 Å²	53	75.4 Å²	75.4	37%	0.371	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-60.6	152.6	156.7	58.1	0	0	0	0	109.8	V565	V565-S568 PolarHBondContact O-N 3.02Å; V565-S568 PolarHBondContact O-OG 3.38Å
569	R	69.9	Low	74.6	Confident	132 Å²	132	69 Å²	69	50%	0.498	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-69.7	145.8	168.7	-72.2	176.2	175.6	-116.3	5.6	108.3	E434 T497 G571	E434-R569 IonicContact OE1-CZ 2.77Å; E434-R569 IonicContact OE1-NH1 3.49Å; E434-R569 PolarHBondContact OE1-NH1 3.46Å; E434-R569 IonicContact OE1-NH2 3.83Å; E434-R569 PolarHBondContact OE1-NH2 2.93Å; E434-R569 IonicContact OE2-CZ 3.16Å; E434-R569 IonicContact OE2-NH1 3.04Å; E434-R569 PolarHBondContact OE2-NH1 2.79Å; E434-R569 IonicContact OE2-NH2 2.65Å; T497-R569 VanDerWaalsContact CG2-NH1 3.28Å; R569-G571 PolarHBondContact O-N 3.43Å
570	L	68.7	Low	75	Confident	29 Å²	29	66.2 Å²	66.2	15%	0.152	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-54.6	138.4	162.3	-69.9	160.1	0	0	0	107.1	L496 L556 M559 R560 L563	L496-L570 HydrophobicContact CD2-CB 4.33Å; L496-L570 HydrophobicContact CD2-CD1 3.61Å; L556-L570 HydrophobicContact CD1-CD1 3.7Å; M559-L570 HydrophobicContact CB-CD2 3.81Å; R560-L570 HydrophobicContact CG-CD1 3.9Å; R560-L570 HydrophobicContact CG-CG 4.32Å; L563-L570 HydrophobicContact CD1-CD2 3.49Å; L563-L570 VanDerWaalsContact CD1-CD2 3.49Å; L563-L570 HydrophobicContact CD1-CG 3.86Å; L563-L570 HydrophobicContact CD2-CD2 4.25Å; L563-L570 HydrophobicContact CG-CD2 3.79Å
571	G	59.3	Low	75.6	Confident	52 Å²	52	62.7 Å²	62.7	54%	0.536	37%	0.37	S	S	.	.	S	Bend	trans	-55.1	-175.1	176.6	0	0	0	0	0	112.6	R569 G573	R569-G571 PolarHBondContact O-N 3.43Å; G571-G573 PolarHBondContact O-N 2.91Å
572	P	59.4	Low	76.1	Confident	130 Å²	130	57 Å²	57	84%	0.844	34%	0.336	S	S	*	.	S	Bend	trans	-43.5	120.9	-165.3	19.3	-31.4	0	0	0	110.2
573	G	61	Low	76.5	Confident	15 Å²	15	51.1 Å²	51.1	16%	0.155	31%	0.308	C	S	.	.			trans	-52.5	143.8	-163.4	0	0	0	0	0	110.6	G571 Q575	G571-G573 PolarHBondContact O-N 2.91Å; G573-Q575 PolarHBondContact O-N 3.28Å
574	P	66.9	Low	77.1	Confident	31 Å²	31	48.6 Å²	48.6	20%	0.201	30%	0.295	C	S	.	.			trans	-52.7	134.5	179.4	21.9	-32.4	0	0	0	109.8	I551 Q576 G577	I551-P574 HydrophobicContact CD1-CB 3.56Å; I551-P574 HydrophobicContact CD1-CG 3.37Å; P574-Q576 PolarHBondContact O-N 3.3Å; P574-G577 PolarHBondContact O-N 3.05Å
575	Q	66.2	Low	77.7	Confident	63 Å²	63	40.6 Å²	40.6	29%	0.294	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-56.2	-22.9	-176.9	-66	-174.6	-12	0	0	113	F447 G573 G577	F447-Q575 HydrophobicContact CD2-CB 3.92Å; F447-Q575 HydrophobicContact CE2-CB 4.21Å; G573-Q575 PolarHBondContact O-N 3.28Å; Q575-G577 PolarHBondContact O-N 3.42Å
576	Q	68.4	Low	78.4	Confident	81 Å²	81	37 Å²	37	38%	0.379	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-68.6	-11.9	175.3	-65.7	152.9	18.6	0	0	114.5	F447 I551 P574	F447-Q576 HydrophobicContact CD1-CG 4.18Å; F447-Q576 HydrophobicContact CE1-CB 4.39Å; F447-Q576 HydrophobicContact CE1-CG 3.38Å; F447-Q576 HydrophobicContact CE2-CG 3.96Å; F447-Q576 HydrophobicContact CZ-CG 3.26Å; I551-Q576 HydrophobicContact CD1-CB 4.02Å; I551-Q576 HydrophobicContact CG1-CB 4.16Å; P574-Q576 PolarHBondContact O-N 3.3Å
577	G	74.3	Confident	79.3	Confident	4 Å²	4	33.8 Å²	33.8	4%	0.041	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-97.6	13.3	-168.1	0	0	0	0	0	116.3	D493 P574 Q575	D493-G577 PolarHBondContact N-O 2.84Å; P574-G577 PolarHBondContact O-N 3.05Å; Q575-G577 PolarHBondContact O-N 3.42Å
578	R	87.3	Confident	80.3	Confident	8 Å²	8	31.4 Å²	31.4	3%	0.03	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	117.2	-176.1	-48	-60.8	-169.2	179.6	2.1	110.4	T437 W448 W449 T490 D492	T437-R578 PolarHBondContact O-NH2 2.99Å; T437-R578 VanDerWaalsContact OG1-CZ 3.3Å; T437-R578 PolarHBondContact OG1-NH1 2.89Å; T437-R578 PolarHBondContact OG1-NH2 2.97Å; W448-R578 PolarHBondContact NE1-O 3.11Å; W449-R578 HydrophobicContact CB-CB 3.92Å; W449-R578 HydrophobicContact CB-CG 3.95Å; W449-R578 HydrophobicContact CD2-CB 4.3Å; W449-R578 HydrophobicContact CD2-CG 4.4Å; W449-R578 HydrophobicContact CG-CB 3.89Å; W449-R578 HydrophobicContact CG-CG 3.7Å; T490-R578 HydrophobicContact CG2-CB 4.42Å; D492-R578 WeakPolarHBondContact OD1-CD 3.29Å; D492-R578 IonicContact OD1-CZ 3.02Å; D492-R578 IonicContact OD1-NE 2.64Å; D492-R578 IonicContact OD1-NH1 3.14Å; D492-R578 PolarHBondContact OD1-NH1 2.94Å; D492-R578 IonicContact OD2-NH1 2.7Å; D492-R578 PolarHBondContact OD2-NH1 2.97Å
579	V	91.9	Very high	80.8	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.8	-171	-175.9	0	0	0	0	109.5	V491 V546 V581 P607 W610 F614	V491-V579 HydrophobicContact CG2-CB 4.43Å; V491-V579 WeakPolarHBondContact CG2-O 3.28Å; V491-V579 PolarHBondContact N-O 2.88Å; V491-V579 PolarHBondContact O-N 3.16Å; V546-V579 HydrophobicContact CG1-CB 4.5Å; V546-V579 HydrophobicContact CG1-CG1 4.18Å; V546-V579 HydrophobicContact CG1-CG2 4.12Å; V579-V581 HydrophobicContact CG1-CG1 4.14Å; V579-P607 HydrophobicContact CG1-CG 3.83Å; V579-W610 HydrophobicContact CG1-CG 4.44Å; V579-W610 HydrophobicContact CG2-CD2 3.67Å; V579-W610 HydrophobicContact CG2-CE3 3.77Å; V579-W610 HydrophobicContact CG2-CG 4.36Å; V579-W610 HydrophobicContact CG2-CH2 3.7Å; V579-W610 HydrophobicContact CG2-CZ2 3.61Å; V579-W610 HydrophobicContact CG2-CZ3 3.78Å; V579-F614 HydrophobicContact CB-CE2 4.5Å; V579-F614 HydrophobicContact CB-CZ 4.32Å; V579-F614 HydrophobicContact CG1-CE2 4.29Å; V579-F614 HydrophobicContact CG1-CZ 4.26Å; V579-F614 HydrophobicContact CG2-CE2 4.47Å
580	P	94.3	Very high	81.2	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	131.8	170.9	32	-31.6	0	0	0	109.3	W448 F536 V542	W448-P580 HydrophobicContact CH2-CB 4.21Å; W448-P580 HydrophobicContact CH2-CG 4.37Å; W448-P580 HydrophobicContact CZ2-CB 4.35Å; W448-P580 HydrophobicContact CZ2-CG 4.13Å; F536-P580 HydrophobicContact CB-CB 3.98Å; F536-P580 HydrophobicContact CB-CG 4.42Å; V542-P580 HydrophobicContact CG1-CG 3.84Å
581	V	95.3	Very high	81.5	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	158.4	178.2	-57.5	0	0	0	0	110.3	L489 V491 S535 V579 L604 L606 F614	L489-V581 HydrophobicContact CB-CG2 4.11Å; L489-V581 PolarHBondContact N-O 3.44Å; L489-V581 VanDerWaalsContact N-O 3.17Å; L489-V581 VanDerWaalsContact O-CG2 3.27Å; L489-V581 WeakPolarHBondContact O-CG2 3.49Å; L489-V581 PolarHBondContact O-N 3.1Å; L489-V581 VanDerWaalsContact O-O 3.09Å; V491-V581 HydrophobicContact CG1-CG2 3.8Å; V491-V581 HydrophobicContact CG2-CG1 3.65Å; V491-V581 HydrophobicContact CG2-CG2 4.03Å; S535-V581 PolarHBondContact OG-O 3.21Å; V579-V581 HydrophobicContact CG1-CG1 4.14Å; V581-L604 HydrophobicContact CB-CD1 4.04Å; V581-L604 HydrophobicContact CG1-CD1 4.42Å; V581-L604 HydrophobicContact CG2-CD1 4.38Å; V581-L606 HydrophobicContact CB-CD2 4.2Å; V581-L606 HydrophobicContact CG1-CD2 3.43Å; V581-L606 VanDerWaalsContact CG1-CD2 3.43Å; V581-F614 HydrophobicContact CG1-CE1 4.09Å; V581-F614 HydrophobicContact CG1-CZ 4.07Å
582	L	96.1	Very high	81.9	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	124.8	172.4	-163	70.8	0	0	0	109.1	L298 W312 V486 L537 V584 L605	L298-L582 HydrophobicContact CD2-CD2 3.54Å; W312-L582 HydrophobicContact CZ3-CD2 4.39Å; V486-L582 HydrophobicContact CG1-CD1 3.6Å; V486-L582 HydrophobicContact CG1-CD2 4.15Å; V486-L582 HydrophobicContact CG1-CG 3.91Å; L537-L582 HydrophobicContact CD2-CB 4.19Å; L582-V584 HydrophobicContact CD2-CG2 4.13Å; L582-V584 HydrophobicContact CG-CG2 4.17Å; L582-L605 HydrophobicContact CB-CB 4.08Å; L582-L605 HydrophobicContact CB-CD1 4.2Å; L582-L605 HydrophobicContact CB-CG 4.43Å; L582-L605 HydrophobicContact CD2-CD1 3.85Å; L582-L605 HydrophobicContact CG-CD1 4.48Å; L582-L605 PolarHBondContact N-O 3.29Å; L582-L605 PolarHBondContact O-N 2.79Å
583	L	95.9	Very high	82.2	Confident	2 Å²	2	28.1 Å²	28.1	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	118.8	175.6	-63.2	177.7	0	0	0	108.4	L429 F469 V486 L487 W602 L604	L429-L583 HydrophobicContact CD1-CD2 4.09Å; L429-L583 HydrophobicContact CD2-CD2 4.37Å; F469-L583 HydrophobicContact CD2-CD1 4.18Å; F469-L583 HydrophobicContact CE2-CD1 3.91Å; V486-L583 CarbonylContact C-O 3.54Å; V486-L583 WeakPolarHBondContact CA-O 3.32Å; L487-L583 HydrophobicContact CB-CB 4.32Å; L487-L583 HydrophobicContact CD2-CD1 4.32Å; L487-L583 PolarHBondContact N-O 3.27Å; L487-L583 PolarHBondContact O-N 3.31Å; L583-W602 HydrophobicContact CB-CE3 3.77Å; L583-W602 HydrophobicContact CB-CZ3 3.84Å; L583-L604 HydrophobicContact CD2-CB 4.33Å; L583-L604 HydrophobicContact CD2-CD1 3.51Å
584	V	95.5	Very high	82.6	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.012	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	114.5	179.8	-176.7	0	0	0	0	109.1	Q276 V486 L582 Q586 W602 D603 L605	Q276-V584 HydrophobicContact CB-CG1 3.75Å; Q276-V584 HydrophobicContact CG-CG1 4.36Å; Q276-V584 VanDerWaalsContact OE1-CG1 3.26Å; V486-V584 HydrophobicContact CG1-CG2 4.42Å; V486-V584 HydrophobicContact CG2-CG1 4.3Å; V486-V584 HydrophobicContact CG2-CG2 4.32Å; L582-V584 HydrophobicContact CD2-CG2 4.13Å; L582-V584 HydrophobicContact CG-CG2 4.17Å; V584-Q586 PolarHBondContact O-N 3.14Å; V584-W602 CarbonylContact O-C 3.59Å; V584-D603 HydrophobicContact CB-CB 4.35Å; V584-D603 PolarHBondContact N-O 3.41Å; V584-D603 PolarHBondContact O-N 2.96Å; V584-L605 HydrophobicContact CG2-CD1 4.33Å
585	H	94	Very high	82.9	Confident	3 Å²	3	33 Å²	33	1%	0.014	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	133	178.6	179.7	-95.5	0	0	0	110.9	S478 G484 T485 G601 W602	S478-H585 PolarHBondContact O-NE2 3.04Å; G484-H585 WeakPolarHBondContact CA-O 3.32Å; G484-H585 PolarHBondContact N-O 3.42Å; T485-H585 WeakPolarHBondContact O-CB 3.37Å; T485-H585 PolarHBondContact O-N 3.23Å; H585-G601 PolarHBondContact CD2-O 3.05Å; H585-W602 HydrophobicContact CB-CD2 4.37Å; H585-W602 HydrophobicContact CB-CE3 4.03Å; H585-W602 HydrophobicContact CB-CH2 4.18Å; H585-W602 HydrophobicContact CB-CZ2 4.5Å; H585-W602 HydrophobicContact CB-CZ3 3.93Å
586	Q	91.1	Very high	83.3	Confident	25 Å²	25	33 Å²	33	12%	0.117	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.8	173.7	-68.7	-60.9	-47.9	0	0	109.6	V584 G601 D603	V584-Q586 PolarHBondContact O-N 3.14Å; Q586-G601 PolarHBondContact N-O 3.17Å; Q586-G601 PolarHBondContact O-N 3.47Å; Q586-D603 HydrophobicContact CG-CB 4.41Å; Q586-D603 WeakPolarHBondContact CG-OD1 3.35Å; Q586-D603 PolarHBondContact NE2-OD2 3.29Å; Q586-D603 VanDerWaalsContact NE2-OD2 3.1Å
587	P	88.8	Confident	83.9	Confident	26 Å²	26	31.6 Å²	31.6	17%	0.169	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-61	144.8	175.9	21.5	-29.5	0	0	0	111.2	P483 Q590 K638	P483-P587 HydrophobicContact CB-CB 3.68Å; P483-P587 HydrophobicContact CB-CG 4.22Å; P587-Q590 HydrophobicContact CB-CG 3.88Å; P587-K638 PolarHBondContact O-NZ 2.82Å
588	G	85.9	Confident	84.6	Confident	4 Å²	4	32.3 Å²	32.3	4%	0.041	19%	0.191	C	C	.	.			trans	-72.5	-160.3	163.6	0	0	0	0	0	111.6	Q590 W598 K638	G588-Q590 PolarHBondContact O-N 3.38Å; G588-Q590 VanDerWaalsContact O-N 3.09Å; G588-W598 CarbonylContact C-O 3.48Å; G588-W598 WeakPolarHBondContact CA-O 3.13Å; G588-K638 VanDerWaalsContact O-CE 3.25Å; G588-K638 WeakPolarHBondContact O-CE 3.46Å
589	K	86.6	Confident	84.5	Confident	9 Å²	9	32.2 Å²	32.2	4%	0.039	19%	0.192	C	C	.	.			trans	-62.2	110	169.5	-172.5	172	178.6	-171.1	0	109.2	V591 E594 S597 W598 K638	K589-V591 WeakPolarHBondContact CE-O 3.44Å; K589-V591 VanDerWaalsContact CG-O 3.31Å; K589-V591 WeakPolarHBondContact CG-O 3.39Å; K589-E594 WeakPolarHBondContact CD-O 3.23Å; K589-E594 PolarHBondContact NZ-O 3.04Å; K589-S597 PolarHBondContact O-N 2.94Å; K589-W598 PolarHBondContact N-O 3.03Å; K589-K638 HydrophobicContact CB-CG 4.32Å
590	Q	78.6	Confident	84.5	Confident	133 Å²	133	32.4 Å²	32.4	62%	0.621	19%	0.193	S	C	*	.			trans	-94.7	-22.6	177.4	-65.3	-174.6	-48.4	0	0	112.3	P483 P587 G588	P483-Q590 VanDerWaalsContact CG-NE2 3.28Å; P587-Q590 HydrophobicContact CB-CG 3.88Å; G588-Q590 PolarHBondContact O-N 3.38Å; G588-Q590 VanDerWaalsContact O-N 3.09Å
591	V	74.4	Confident	84.5	Confident	48 Å²	48	32.5 Å²	32.5	29%	0.291	19%	0.194	S	C	.	.	S	Bend	trans	-114.4	137.8	-169.2	-163.3	0	0	0	0	109.4	K589 D958 V959	K589-V591 WeakPolarHBondContact CE-O 3.44Å; K589-V591 VanDerWaalsContact CG-O 3.31Å; K589-V591 WeakPolarHBondContact CG-O 3.39Å; V591-D958 HydrophobicContact CB-CB 4.26Å; V591-D958 HydrophobicContact CG1-CB 3.58Å; V591-V959 WeakPolarHBondContact CG1-O 3.46Å
592	G	68.4	Low	84.5	Confident	24 Å²	24	32.6 Å²	32.6	25%	0.247	20%	0.195	C	C	.	.	S	Bend	trans	90.8	155.9	-173.7	0	0	0	0	0	113.1	E594	G592-E594 VanDerWaalsContact C-N 3.29Å; G592-E594 PolarHBondContact O-N 2.88Å
593	D	64.6	Low	84.5	Confident	112 Å²	112	32.6 Å²	32.6	60%	0.599	20%	0.195	S	C	*	.	S	Bend	trans	-79.8	-11	-172.6	-62.7	-12.4	0	0	0	113.4	Q767	D593-Q767 PolarHBondContact OD2-NE2 3.26Å
594	E	70.6	Confident	84.5	Confident	70 Å²	70	32.5 Å²	32.5	33%	0.327	19%	0.194	S	C	.	.	S	Bend	trans	-100.4	132.1	-172	-62.8	175.7	163.8	0	0	112.3	K589 G592 R799 V911	K589-E594 WeakPolarHBondContact CD-O 3.23Å; K589-E594 PolarHBondContact NZ-O 3.04Å; G592-E594 VanDerWaalsContact C-N 3.29Å; G592-E594 PolarHBondContact O-N 2.88Å; E594-R799 IonicContact OE2-CZ 3.66Å; E594-R799 IonicContact OE2-NH1 2.66Å; E594-R799 PolarHBondContact OE2-NH1 2.71Å; E594-R799 IonicContact OE2-NH2 3.88Å; E594-R799 PolarHBondContact OE2-NH2 3.38Å; E594-V911 WeakPolarHBondContact OE2-CG2 3.48Å
595	L	72.2	Confident	84.6	Confident	80 Å²	80	32.6 Å²	32.6	42%	0.419	20%	0.195	S	C	.	.	S	Bend	trans	54.1	55.1	171.3	-74.1	129.7	0	0	0	113.2	S597 W598	L595-S597 PolarHBondContact O-N 2.81Å; L595-W598 HydrophobicContact CB-CB 3.94Å; L595-W598 VanDerWaalsContact O-CB 3.25Å; L595-W598 WeakPolarHBondContact O-CB 3.5Å; L595-W598 PolarHBondContact O-N 2.87Å
596	G	75.9	Confident	84.6	Confident	62 Å²	62	32.4 Å²	32.4	64%	0.639	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	134.1	173.5	0	0	0	0	0	111.8	W598	G596-W598 PolarHBondContact O-N 2.83Å
597	S	81.3	Confident	84.7	Confident	52 Å²	52	31.2 Å²	31.2	36%	0.364	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	8.9	-178.2	-56.3	0	0	0	0	116.2	G479 K589 L595 G599 S600	G479-S597 PolarHBondContact O-OG 2.76Å; G479-S597 VanDerWaalsContact O-OG 3.09Å; K589-S597 PolarHBondContact O-N 2.94Å; L595-S597 PolarHBondContact O-N 2.81Å; S597-G599 PolarHBondContact O-N 3.18Å; S597-S600 WeakPolarHBondContact O-CB 3.41Å; S597-S600 PolarHBondContact O-N 3.22Å; S597-S600 PolarHBondContact O-OG 3.23Å
598	W	88.8	Confident	84.7	Confident	19 Å²	19	31.2 Å²	31.2	7%	0.072	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	136.4	173.1	-178.2	91.7	0	0	0	111.5	Y222 M225 S226 G588 K589 L595 G596 S600 H634 D637 K638	Y222-W598 HydrophobicContact CD2-CZ2 4.05Å; Y222-W598 AromaticContact CE2-CZ2 3.61Å; Y222-W598 HydrophobicContact CE2-CZ2 3.61Å; M225-W598 HydrophobicContact CB-CZ2 4.39Å; M225-W598 HydrophobicContact CE-CH2 3.38Å; M225-W598 HydrophobicContact CE-CZ2 3.77Å; M225-W598 HydrophobicContact CE-CZ3 4.22Å; S226-W598 PolarHBondContact OG-NE1 2.64Å; G588-W598 CarbonylContact C-O 3.48Å; G588-W598 WeakPolarHBondContact CA-O 3.13Å; K589-W598 PolarHBondContact N-O 3.03Å; L595-W598 HydrophobicContact CB-CB 3.94Å; L595-W598 VanDerWaalsContact O-CB 3.25Å; L595-W598 WeakPolarHBondContact O-CB 3.5Å; L595-W598 PolarHBondContact O-N 2.87Å; G596-W598 PolarHBondContact O-N 2.83Å; W598-S600 VanDerWaalsContact C-N 3.28Å; W598-S600 PolarHBondContact O-N 3.26Å; W598-H634 AromaticContact CZ3-ND1 3.77Å; W598-D637 HydrophobicContact CE3-CB 4.37Å; W598-D637 HydrophobicContact CH2-CB 3.19Å; W598-D637 HydrophobicContact CZ2-CB 4Å; W598-D637 HydrophobicContact CZ3-CB 3.42Å; W598-D637 VanDerWaalsContact CZ3-CB 3.42Å; W598-K638 HydrophobicContact CE3-CB 4.43Å; W598-K638 HydrophobicContact CZ3-CB 4.13Å
599	G	85	Confident	84.8	Confident	5 Å²	5	31.7 Å²	31.7	5%	0.052	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	17.8	-177.9	0	0	0	0	0	114.2	S597	S597-G599 PolarHBondContact O-N 3.18Å
600	S	91.8	Very high	85.1	Confident	4 Å²	4	31.4 Å²	31.4	3%	0.028	19%	0.189	C	C	.	.			trans	-59.3	150.6	166.1	62.4	0	0	0	0	111	G422 G479 S597 W598	G422-S600 CarbonylContact C-O 3.54Å; G422-S600 PolarHBondContact N-O 3Å; G479-S600 PolarHBondContact N-OG 3.08Å; S597-S600 WeakPolarHBondContact O-CB 3.41Å; S597-S600 PolarHBondContact O-N 3.22Å; S597-S600 PolarHBondContact O-OG 3.23Å; W598-S600 VanDerWaalsContact C-N 3.28Å; W598-S600 PolarHBondContact O-N 3.26Å
601	G	93.3	Very high	85.7	Confident	2 Å²	2	25 Å²	25	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	-169.4	-175.3	0	0	0	0	0	114.3	L420 H585 Q586	L420-G601 CarbonylContact O-C 2.78Å; L420-G601 WeakPolarHBondContact O-CA 2.99Å; H585-G601 PolarHBondContact CD2-O 3.05Å; Q586-G601 PolarHBondContact N-O 3.17Å; Q586-G601 PolarHBondContact O-N 3.47Å
602	W	95	Very high	86.6	Confident	3 Å²	3	25.5 Å²	25.5	1%	0.011	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	137	175.1	-70.6	88.4	0	0	0	110.2	L420 L429 L472 L481 L583 V584 H585	L420-W602 PolarHBondContact N-O 3.08Å; L420-W602 PolarHBondContact O-N 3.21Å; L429-W602 HydrophobicContact CD1-CB 3.7Å; L429-W602 HydrophobicContact CD1-CD2 4.42Å; L429-W602 HydrophobicContact CD1-CG 3.78Å; L472-W602 HydrophobicContact CD1-CH2 4.1Å; L472-W602 HydrophobicContact CD1-CZ2 4.15Å; L472-W602 HydrophobicContact CD2-CZ2 4.23Å; L481-W602 HydrophobicContact CD1-CH2 4.13Å; L481-W602 HydrophobicContact CD1-CZ2 3.41Å; L481-W602 VanDerWaalsContact CD1-CZ2 3.41Å; L583-W602 HydrophobicContact CB-CE3 3.77Å; L583-W602 HydrophobicContact CB-CZ3 3.84Å; V584-W602 CarbonylContact O-C 3.59Å; H585-W602 HydrophobicContact CB-CD2 4.37Å; H585-W602 HydrophobicContact CB-CE3 4.03Å; H585-W602 HydrophobicContact CB-CH2 4.18Å; H585-W602 HydrophobicContact CB-CZ2 4.5Å; H585-W602 HydrophobicContact CB-CZ3 3.93Å
603	D	96.4	Very high	87.7	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.6	163.8	-72.2	-7.8	0	0	0	108.6	R417 Y418 R419 V584 Q586	R417-D603 IonicContact CZ-OD2 3.57Å; R417-D603 IonicContact NE-OD2 3.13Å; R417-D603 PolarHBondContact NE-OD2 2.97Å; R417-D603 IonicContact NH2-OD2 3.12Å; R417-D603 PolarHBondContact NH2-OD2 3.22Å; Y418-D603 CarbonylContact O-C 3.5Å; Y418-D603 VanDerWaalsContact O-CA 3.29Å; Y418-D603 WeakPolarHBondContact O-CA 3.39Å; R419-D603 WeakPolarHBondContact CA-OD1 3.34Å; R419-D603 WeakPolarHBondContact CB-OD1 3.43Å; R419-D603 WeakPolarHBondContact CG-OD1 3.39Å; R419-D603 IonicContact CZ-OD1 2.67Å; R419-D603 IonicContact CZ-OD2 3.55Å; R419-D603 IonicContact NE-OD1 2.71Å; R419-D603 PolarHBondContact NE-OD1 2.93Å; R419-D603 IonicContact NE-OD2 2.79Å; R419-D603 PolarHBondContact NE-OD2 3.2Å; R419-D603 IonicContact NH2-OD1 3.49Å; R419-D603 IonicContact NH2-OD2 2.88Å; R419-D603 PolarHBondContact NH2-OD2 2.77Å; V584-D603 HydrophobicContact CB-CB 4.35Å; V584-D603 PolarHBondContact N-O 3.41Å; V584-D603 PolarHBondContact O-N 2.96Å; Q586-D603 HydrophobicContact CG-CB 4.41Å; Q586-D603 WeakPolarHBondContact CG-OD1 3.35Å; Q586-D603 PolarHBondContact NE2-OD2 3.29Å; Q586-D603 VanDerWaalsContact NE2-OD2 3.1Å
604	L	96.8	Very high	89.1	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	116.9	174.4	173.2	66	0	0	0	108.3	Y418 L420 L429 L433 V581 L583 L606 F614 L618	Y418-L604 PolarHBondContact N-O 3.03Å; Y418-L604 PolarHBondContact O-N 2.88Å; L420-L604 HydrophobicContact CD1-CB 4.22Å; L429-L604 HydrophobicContact CD2-CD2 4.44Å; L433-L604 HydrophobicContact CD1-CD1 4.42Å; V581-L604 HydrophobicContact CB-CD1 4.04Å; V581-L604 HydrophobicContact CG1-CD1 4.42Å; V581-L604 HydrophobicContact CG2-CD1 4.38Å; L583-L604 HydrophobicContact CD2-CB 4.33Å; L583-L604 HydrophobicContact CD2-CD1 3.51Å; L604-L606 HydrophobicContact CD1-CD2 3.77Å; L604-L606 HydrophobicContact CD1-CG 4.48Å; L604-L606 HydrophobicContact CD2-CD1 4.19Å; L604-L606 HydrophobicContact CD2-CD2 4.03Å; L604-L606 HydrophobicContact CD2-CG 4.31Å; L604-L606 HydrophobicContact CG-CD1 4.34Å; L604-L606 HydrophobicContact CG-CD2 3.74Å; L604-L606 HydrophobicContact CG-CG 3.96Å; L604-F614 HydrophobicContact CD2-CD1 4Å; L604-L618 HydrophobicContact CD2-CD1 4.41Å
605	L	96.7	Very high	90.3	Very high	3 Å²	3	16 Å²	16	2%	0.016	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.9	174.3	-52.8	-179.1	0	0	0	110.2	W312 W314 I415 V416 R417 L537 L582 V584	W312-L605 HydrophobicContact CZ3-CD1 4.3Å; W314-L605 HydrophobicContact CH2-CD2 4.09Å; W314-L605 HydrophobicContact CZ2-CD1 3.91Å; W314-L605 HydrophobicContact CZ2-CD2 3.92Å; I415-L605 HydrophobicContact CG2-CB 4.1Å; V416-L605 WeakPolarHBondContact O-CA 3.25Å; R417-L605 HydrophobicContact CB-CD2 3.72Å; R417-L605 HydrophobicContact CG-CD2 3.57Å; L537-L605 HydrophobicContact CD2-CB 3.86Å; L582-L605 HydrophobicContact CB-CB 4.08Å; L582-L605 HydrophobicContact CB-CD1 4.2Å; L582-L605 HydrophobicContact CB-CG 4.43Å; L582-L605 HydrophobicContact CD2-CD1 3.85Å; L582-L605 HydrophobicContact CG-CD1 4.48Å; L582-L605 PolarHBondContact N-O 3.29Å; L582-L605 PolarHBondContact O-N 2.79Å; V584-L605 HydrophobicContact CG2-CD1 4.33Å
606	L	94.6	Very high	91.4	Very high	0 Å²	0	14 Å²	14	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	151.9	-174.4	-53	170.9	0	0	0	110.2	I415 V416 Y418 V581 L604 F614	I415-L606 CarbonylContact C-O 3.37Å; I415-L606 WeakPolarHBondContact CA-O 3.39Å; I415-L606 WeakPolarHBondContact CG2-O 3.13Å; V416-L606 HydrophobicContact CB-CB 4.2Å; V416-L606 HydrophobicContact CG1-CD1 4.45Å; V416-L606 PolarHBondContact N-O 2.85Å; V416-L606 PolarHBondContact O-N 3.18Å; Y418-L606 HydrophobicContact CD2-CD1 3.83Å; Y418-L606 HydrophobicContact CE2-CD1 3.7Å; V581-L606 HydrophobicContact CB-CD2 4.2Å; V581-L606 HydrophobicContact CG1-CD2 3.43Å; V581-L606 VanDerWaalsContact CG1-CD2 3.43Å; L604-L606 HydrophobicContact CD1-CD2 3.77Å; L604-L606 HydrophobicContact CD1-CG 4.48Å; L604-L606 HydrophobicContact CD2-CD1 4.19Å; L604-L606 HydrophobicContact CD2-CD2 4.03Å; L604-L606 HydrophobicContact CD2-CG 4.31Å; L604-L606 HydrophobicContact CG-CD1 4.34Å; L604-L606 HydrophobicContact CG-CD2 3.74Å; L604-L606 HydrophobicContact CG-CG 3.96Å; L606-F614 HydrophobicContact CD1-CB 3.65Å; L606-F614 HydrophobicContact CD1-CD1 4.12Å; L606-F614 HydrophobicContact CD1-CD2 4.09Å; L606-F614 HydrophobicContact CD1-CG 3.68Å; L606-F614 HydrophobicContact CD2-CD1 3.74Å; L606-F614 HydrophobicContact CD2-CD2 4.24Å; L606-F614 HydrophobicContact CD2-CE1 3.72Å; L606-F614 HydrophobicContact CD2-CE2 4.25Å; L606-F614 HydrophobicContact CD2-CG 4Å; L606-F614 HydrophobicContact CD2-CZ 4Å
607	P	93.4	Very high	92.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	154.5	169.6	28.3	-32.7	0	0	0	111.7	L537 R543 V546 V579 W610	L537-P607 HydrophobicContact CD1-CB 4.11Å; L537-P607 HydrophobicContact CD1-CG 4.37Å; R543-P607 HydrophobicContact CG-CB 4.42Å; V546-P607 HydrophobicContact CG1-CG 3.9Å; V579-P607 HydrophobicContact CG1-CG 3.83Å; P607-W610 HydrophobicContact CG-CG 4.43Å; P607-W610 PolarHBondContact O-N 3.38Å
608	K	89.4	Confident	92.9	Very high	25 Å²	25	8.8 Å²	8.8	11%	0.109	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	149.3	172.9	69.5	178.4	175.9	-167.2	0	111.6	E190 I385 D388 E414 T547 W610	E190-K608 WeakPolarHBondContact OE1-CA 3.36Å; I385-K608 HydrophobicContact CG2-CB 4.47Å; I385-K608 HydrophobicContact CG2-CD 4.1Å; I385-K608 HydrophobicContact CG2-CG 4.12Å; D388-K608 IonicContact OD2-NZ 3.62Å; D388-K608 PolarHBondContact OD2-NZ 3Å; D388-K608 VanDerWaalsContact OD2-NZ 3.14Å; E414-K608 WeakPolarHBondContact O-CB 3.34Å; E414-K608 PolarHBondContact O-N 2.96Å; E414-K608 WeakPolarHBondContact OE1-CE 3.47Å; E414-K608 IonicContact OE1-NZ 3.57Å; E414-K608 PolarHBondContact OE1-NZ 3.35Å; E414-K608 WeakPolarHBondContact OE2-CD 3.39Å; E414-K608 WeakPolarHBondContact OE2-CE 3.39Å; E414-K608 IonicContact OE2-NZ 2.77Å; E414-K608 PolarHBondContact OE2-NZ 3.06Å; T547-K608 HydrophobicContact CG2-CG 4.11Å; T547-K608 PolarHBondContact OG1-O 2.91Å; K608-W610 VanDerWaalsContact C-N 3.27Å; K608-W610 PolarHBondContact O-N 2.77Å
609	G	87.8	Confident	93.2	Very high	15 Å²	15	8.4 Å²	8.4	16%	0.155	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	-28.5	-174.6	0	0	0	0	0	113.6	E190 K550	E190-G609 PolarHBondContact OE1-N 3.31Å; K550-G609 PolarHBondContact NZ-O 3.19Å
610	W	91.7	Very high	93.6	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.008	6%	0.062	C	C	.	.			trans	-90	-4.7	-175.9	-75.2	87.8	0	0	0	115	D493 V546 K550 V579 P607 K608 M612 A613 F614	D493-W610 HydrophobicContact CB-CH2 4.26Å; D493-W610 HydrophobicContact CB-CZ3 3.94Å; V546-W610 HydrophobicContact CG1-CZ2 4.41Å; V546-W610 PolarHBondContact O-NE1 3.47Å; K550-W610 HydrophobicContact CB-CZ2 4.08Å; K550-W610 HydrophobicContact CD-CD2 4.11Å; K550-W610 HydrophobicContact CD-CG 4.42Å; K550-W610 HydrophobicContact CD-CZ2 4.36Å; K550-W610 HydrophobicContact CG-CD2 4.39Å; K550-W610 HydrophobicContact CG-CH2 4.2Å; K550-W610 HydrophobicContact CG-CZ2 3.75Å; V579-W610 HydrophobicContact CG1-CG 4.44Å; V579-W610 HydrophobicContact CG2-CD2 3.67Å; V579-W610 HydrophobicContact CG2-CE3 3.77Å; V579-W610 HydrophobicContact CG2-CG 4.36Å; V579-W610 HydrophobicContact CG2-CH2 3.7Å; V579-W610 HydrophobicContact CG2-CZ2 3.61Å; V579-W610 HydrophobicContact CG2-CZ3 3.78Å; P607-W610 HydrophobicContact CG-CG 4.43Å; P607-W610 PolarHBondContact O-N 3.38Å; K608-W610 VanDerWaalsContact C-N 3.27Å; K608-W610 PolarHBondContact O-N 2.77Å; W610-M612 PolarHBondContact O-N 3.31Å; W610-A613 HydrophobicContact CE3-CB 3.89Å; W610-A613 HydrophobicContact CZ3-CB 4.42Å; W610-A613 WeakPolarHBondContact O-CB 3.43Å; W610-A613 PolarHBondContact O-N 2.77Å; W610-A613 VanDerWaalsContact O-N 3.1Å; W610-F614 HydrophobicContact CB-CD2 4.25Å; W610-F614 HydrophobicContact CB-CE2 4.29Å; W610-F614 HydrophobicContact CE3-CD2 4.32Å; W610-F614 AromaticContact CE3-CE2 3.87Å; W610-F614 HydrophobicContact CE3-CE2 3.87Å; W610-F614 WeakPolarHBondContact O-CD2 3.32Å; W610-F614 PolarHBondContact O-N 3.36Å
611	G	92.1	Very high	93.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-55.4	-55	-173.9	0	0	0	0	0	113.5	E190 Y418 A613 F614 W615	E190-G611 WeakPolarHBondContact OE2-CA 3.49Å; E190-G611 PolarHBondContact OE2-N 2.84Å; Y418-G611 WeakPolarHBondContact CE2-O 3.24Å; Y418-G611 WeakPolarHBondContact OH-CA 3.36Å; Y418-G611 PolarHBondContact OH-O 3.09Å; G611-A613 VanDerWaalsContact C-N 3.27Å; G611-A613 PolarHBondContact O-N 2.95Å; G611-F614 PolarHBondContact O-N 3.25Å; G611-W615 WeakPolarHBondContact O-CB 3.35Å; G611-W615 PolarHBondContact O-N 2.82Å
612	M	92.3	Very high	93.5	Very high	58 Å²	58	14.7 Å²	14.7	29%	0.286	8%	0.08	S	C	.	.	H	α-helix	trans	-68.3	-25.3	-179.2	-85.6	-62.3	-52.8	0	0	113.8	E190 T191 W194 W610 W615 V616	E190-M612 WeakPolarHBondContact O-CG 3.42Å; T191-M612 HydrophobicContact CG2-CG 4.48Å; T191-M612 HydrophobicContact CG2-SD 3.95Å; W194-M612 HydrophobicContact CB-CE 4.11Å; W194-M612 HydrophobicContact CB-SD 3.92Å; W194-M612 HydrophobicContact CG-CE 4.34Å; W610-M612 PolarHBondContact O-N 3.31Å; M612-W615 PolarHBondContact O-N 3.37Å; M612-W615 HydrophobicContact SD-CB 4.3Å; M612-W615 HydrophobicContact SD-CG 4.36Å; M612-V616 HydrophobicContact CE-CG2 3.78Å; M612-V616 PolarHBondContact O-N 3.34Å
613	A	92.3	Very high	93.4	Very high	5 Å²	5	15 Å²	15	4%	0.041	8%	0.082	C	C	.	.	H	α-helix	trans	-68.4	-38.7	179.3	0	0	0	0	0	111.5	R495 W610 G611 P617	R495-A613 HydrophobicContact CG-CB 4.12Å; R495-A613 WeakPolarHBondContact CG-O 3.43Å; W610-A613 HydrophobicContact CE3-CB 3.89Å; W610-A613 HydrophobicContact CZ3-CB 4.42Å; W610-A613 WeakPolarHBondContact O-CB 3.43Å; W610-A613 PolarHBondContact O-N 2.77Å; W610-A613 VanDerWaalsContact O-N 3.1Å; G611-A613 VanDerWaalsContact C-N 3.27Å; G611-A613 PolarHBondContact O-N 2.95Å; A613-P617 WeakPolarHBondContact O-CD 3.19Å; A613-P617 VanDerWaalsContact O-CG 3.3Å; A613-P617 WeakPolarHBondContact O-CG 3.35Å
614	F	94.8	Very high	93.3	Very high	1 Å²	1	19.5 Å²	19.5	0%	0.004	10%	0.1	C	C	.	.	H	α-helix	trans	-79.7	-33	173.8	-80.1	-109.4	0	0	0	112.8	Y418 L433 V491 P494 V579 V581 L604 L606 W610 G611 V616 P617 L618	Y418-F614 HydrophobicContact CE2-CB 4.42Å; L433-F614 HydrophobicContact CD2-CD1 3.78Å; L433-F614 HydrophobicContact CD2-CE1 3.46Å; L433-F614 VanDerWaalsContact CD2-CE1 3.46Å; V491-F614 HydrophobicContact CG2-CE1 3.89Å; V491-F614 HydrophobicContact CG2-CZ 3.67Å; P494-F614 HydrophobicContact CG-CB 4.31Å; P494-F614 HydrophobicContact CG-CD1 3.68Å; P494-F614 HydrophobicContact CG-CD2 3.75Å; P494-F614 HydrophobicContact CG-CE1 3.83Å; P494-F614 HydrophobicContact CG-CE2 3.88Å; P494-F614 HydrophobicContact CG-CG 3.65Å; P494-F614 HydrophobicContact CG-CZ 3.92Å; V579-F614 HydrophobicContact CB-CE2 4.5Å; V579-F614 HydrophobicContact CB-CZ 4.32Å; V579-F614 HydrophobicContact CG1-CE2 4.29Å; V579-F614 HydrophobicContact CG1-CZ 4.26Å; V579-F614 HydrophobicContact CG2-CE2 4.47Å; V581-F614 HydrophobicContact CG1-CE1 4.09Å; V581-F614 HydrophobicContact CG1-CZ 4.07Å; L604-F614 HydrophobicContact CD2-CD1 4Å; L606-F614 HydrophobicContact CD1-CB 3.65Å; L606-F614 HydrophobicContact CD1-CD1 4.12Å; L606-F614 HydrophobicContact CD1-CD2 4.09Å; L606-F614 HydrophobicContact CD1-CG 3.68Å; L606-F614 HydrophobicContact CD2-CD1 3.74Å; L606-F614 HydrophobicContact CD2-CD2 4.24Å; L606-F614 HydrophobicContact CD2-CE1 3.72Å; L606-F614 HydrophobicContact CD2-CE2 4.25Å; L606-F614 HydrophobicContact CD2-CG 4Å; L606-F614 HydrophobicContact CD2-CZ 4Å; W610-F614 HydrophobicContact CB-CD2 4.25Å; W610-F614 HydrophobicContact CB-CE2 4.29Å; W610-F614 HydrophobicContact CE3-CD2 4.32Å; W610-F614 AromaticContact CE3-CE2 3.87Å; W610-F614 HydrophobicContact CE3-CE2 3.87Å; W610-F614 WeakPolarHBondContact O-CD2 3.32Å; W610-F614 PolarHBondContact O-N 3.36Å; G611-F614 PolarHBondContact O-N 3.25Å; F614-V616 PolarHBondContact O-N 2.91Å; F614-P617 WeakPolarHBondContact O-CD 3.45Å; F614-L618 WeakPolarHBondContact O-CD1 3.38Å; F614-L618 WeakPolarHBondContact O-CG 3.43Å; F614-L618 PolarHBondContact O-N 2.87Å
615	W	95.5	Very high	93.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.3	-43.1	-176.6	-171.8	-96.9	0	0	0	113.8	T191 W194 H195 L231 D233 Y418 G611 M612 V619 V625	T191-W615 HydrophobicContact CG2-CD2 4.06Å; T191-W615 HydrophobicContact CG2-CE3 4.13Å; T191-W615 HydrophobicContact CG2-CG 4.27Å; W194-W615 AromaticContact CD2-NE1 3.41Å; W194-W615 AromaticContact CE2-NE1 3.52Å; W194-W615 HydrophobicContact CE3-CZ2 4.24Å; W194-W615 AromaticContact CE3-NE1 3.54Å; W194-W615 AromaticContact CG-NE1 3.94Å; W194-W615 AromaticContact CZ2-NE1 3.84Å; W194-W615 HydrophobicContact CZ3-CZ2 4.06Å; W194-W615 AromaticContact CZ3-NE1 3.84Å; W194-W615 AromaticContact NE1-NE1 3.97Å; H195-W615 AromaticContact CE1-CH2 3.69Å; H195-W615 AromaticContact CE1-CZ2 3.37Å; H195-W615 WeakPolarHBondContact CE1-CZ2 3.36Å; H195-W615 AromaticContact NE2-CH2 3.94Å; H195-W615 AromaticContact NE2-CZ2 3.59Å; L231-W615 HydrophobicContact CD1-CE3 4.48Å; L231-W615 HydrophobicContact CD1-CZ3 4.04Å; L231-W615 HydrophobicContact CD2-CD2 3.89Å; L231-W615 HydrophobicContact CD2-CE3 3.59Å; L231-W615 HydrophobicContact CD2-CH2 3.8Å; L231-W615 HydrophobicContact CD2-CZ2 4.07Å; L231-W615 HydrophobicContact CD2-CZ3 3.55Å; L231-W615 HydrophobicContact CG-CE3 4.11Å; L231-W615 HydrophobicContact CG-CH2 3.74Å; L231-W615 HydrophobicContact CG-CZ2 4.43Å; L231-W615 HydrophobicContact CG-CZ3 3.55Å; D233-W615 HydrophobicContact CB-CH2 3.82Å; D233-W615 HydrophobicContact CB-CZ3 3.85Å; Y418-W615 AromaticContact CD1-CE3 3.89Å; Y418-W615 HydrophobicContact CD1-CE3 3.89Å; Y418-W615 AromaticContact CD1-CZ3 3.72Å; Y418-W615 HydrophobicContact CD1-CZ3 3.72Å; Y418-W615 HydrophobicContact CD2-CE3 4.14Å; Y418-W615 AromaticContact CE1-CE3 3.57Å; Y418-W615 HydrophobicContact CE1-CE3 3.57Å; Y418-W615 AromaticContact CE1-CZ3 3.72Å; Y418-W615 HydrophobicContact CE1-CZ3 3.72Å; Y418-W615 HydrophobicContact CE2-CB 4.39Å; Y418-W615 AromaticContact CE2-CE3 3.84Å; Y418-W615 HydrophobicContact CE2-CE3 3.84Å; Y418-W615 HydrophobicContact CG-CE3 4.15Å; Y418-W615 HydrophobicContact CG-CZ3 4.18Å; Y418-W615 AromaticContact CZ-CE3 3.53Å; G611-W615 WeakPolarHBondContact O-CB 3.35Å; G611-W615 PolarHBondContact O-N 2.82Å; M612-W615 PolarHBondContact O-N 3.37Å; M612-W615 HydrophobicContact SD-CB 4.3Å; M612-W615 HydrophobicContact SD-CG 4.36Å; W615-V619 VanDerWaalsContact O-CG2 3.31Å; W615-V619 WeakPolarHBondContact O-CG2 3.3Å; W615-V619 PolarHBondContact O-N 2.76Å; W615-V625 HydrophobicContact CH2-CG1 3.87Å; W615-V625 HydrophobicContact CH2-CG2 4.45Å; W615-V625 HydrophobicContact CZ2-CB 4.29Å; W615-V625 HydrophobicContact CZ2-CG1 3.5Å; W615-V625 HydrophobicContact CZ2-CG2 3.76Å
616	V	94.3	Very high	93	Very high	37 Å²	37	19.9 Å²	19.9	22%	0.224	10%	0.102	C	C	.	.	H	α-helix	trans	-67.8	-49.5	-175.9	175.5	0	0	0	0	112.2	L498 M612 F614 L618 V619 Y620	L498-V616 HydrophobicContact CD1-CG1 4.33Å; M612-V616 HydrophobicContact CE-CG2 3.78Å; M612-V616 PolarHBondContact O-N 3.34Å; F614-V616 PolarHBondContact O-N 2.91Å; V616-L618 PolarHBondContact O-N 3.15Å; V616-V619 PolarHBondContact O-N 2.83Å; V616-V619 VanDerWaalsContact O-N 3.13Å; V616-Y620 HydrophobicContact CG1-CD2 3.82Å; V616-Y620 HydrophobicContact CG1-CE2 3.7Å; V616-Y620 VanDerWaalsContact O-CD2 3.3Å; V616-Y620 WeakPolarHBondContact O-CD2 3.45Å; V616-Y620 PolarHBondContact O-N 3.33Å
617	P	93.9	Very high	93	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.019	11%	0.106	C	C	.	.	H	α-helix	trans	-51.7	-47.1	173.2	-28.7	35.4	0	0	0	114	T432 P494 L498 A613 F614 V619 Y620 R621	T432-P617 HydrophobicContact CG2-CB 4.32Å; P494-P617 HydrophobicContact CB-CB 4.14Å; P494-P617 HydrophobicContact CB-CG 3.99Å; P494-P617 HydrophobicContact CG-CG 4.23Å; P494-P617 WeakPolarHBondContact O-CG 3.05Å; L498-P617 HydrophobicContact CD1-CB 4.21Å; L498-P617 HydrophobicContact CD1-CG 4.14Å; A613-P617 WeakPolarHBondContact O-CD 3.19Å; A613-P617 VanDerWaalsContact O-CG 3.3Å; A613-P617 WeakPolarHBondContact O-CG 3.35Å; F614-P617 WeakPolarHBondContact O-CD 3.45Å; P617-V619 VanDerWaalsContact C-N 3.3Å; P617-V619 PolarHBondContact O-N 3.17Å; P617-Y620 WeakPolarHBondContact O-CA 3.21Å; P617-Y620 WeakPolarHBondContact O-CB 3.47Å; P617-Y620 PolarHBondContact O-N 3.34Å; P617-R621 PolarHBondContact O-N 3Å
618	L	95.1	Very high	93	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-57.9	-43.1	176.7	-68	168.9	0	0	0	111.8	L231 L420 V428 L429 T432 L604 F614 V616 Y620 R621 V623	L231-L618 HydrophobicContact CD1-CD1 4.26Å; L231-L618 HydrophobicContact CD2-CB 4.09Å; L231-L618 HydrophobicContact CD2-CD1 4.29Å; L420-L618 HydrophobicContact CD2-CD2 4.06Å; V428-L618 HydrophobicContact CG1-CD2 3.84Å; L429-L618 HydrophobicContact CD2-CD2 4.43Å; T432-L618 HydrophobicContact CG2-CD2 3.81Å; T432-L618 HydrophobicContact CG2-CG 4.38Å; L604-L618 HydrophobicContact CD2-CD1 4.41Å; F614-L618 WeakPolarHBondContact O-CD1 3.38Å; F614-L618 WeakPolarHBondContact O-CG 3.43Å; F614-L618 PolarHBondContact O-N 2.87Å; V616-L618 PolarHBondContact O-N 3.15Å; L618-Y620 PolarHBondContact O-N 3.48Å; L618-R621 PolarHBondContact O-N 3.4Å; L618-V623 WeakPolarHBondContact O-CB 3.42Å; L618-V623 WeakPolarHBondContact O-CG2 3.42Å
619	V	94.6	Very high	93.2	Very high	11 Å²	11	24.3 Å²	24.3	7%	0.067	13%	0.126	C	C	.	.	H	α-helix	trans	-69.2	-21.4	176.8	168	0	0	0	0	113	W194 L231 K502 W615 V616 P617 V625	W194-V619 HydrophobicContact CZ2-CG1 4.25Å; W194-V619 HydrophobicContact CZ2-CG2 4.21Å; L231-V619 HydrophobicContact CD2-CG2 4.32Å; K502-V619 PolarHBondContact NZ-O 3.13Å; W615-V619 VanDerWaalsContact O-CG2 3.31Å; W615-V619 WeakPolarHBondContact O-CG2 3.3Å; W615-V619 PolarHBondContact O-N 2.76Å; V616-V619 PolarHBondContact O-N 2.83Å; V616-V619 VanDerWaalsContact O-N 3.13Å; P617-V619 VanDerWaalsContact C-N 3.3Å; P617-V619 PolarHBondContact O-N 3.17Å; V619-V625 HydrophobicContact CG2-CG2 3.81Å
620	Y	93.1	Very high	93.4	Very high	79 Å²	79	23.9 Å²	23.9	31%	0.31	12%	0.12	S	C	.	.	H	α-helix	trans	-82.3	-24.5	173.7	-90.9	-116.2	0	0	0	112.4	L498 P499 K502 V503 V616 P617 L618 G622	L498-Y620 HydrophobicContact CD1-CD1 3.95Å; L498-Y620 HydrophobicContact CD1-CD2 4.01Å; L498-Y620 HydrophobicContact CD1-CG 3.65Å; L498-Y620 HydrophobicContact CG-CD1 4.41Å; P499-Y620 VanDerWaalsContact O-CD1 3.29Å; P499-Y620 WeakPolarHBondContact O-CD1 3.32Å; K502-Y620 CarbonylContact C-O 3.54Å; K502-Y620 WeakPolarHBondContact CA-O 3.49Å; K502-Y620 HydrophobicContact CG-CD1 4.28Å; K502-Y620 HydrophobicContact CG-CG 4.36Å; V503-Y620 PolarHBondContact N-O 2.96Å; V503-Y620 VanDerWaalsContact O-O 3.11Å; V616-Y620 HydrophobicContact CG1-CD2 3.82Å; V616-Y620 HydrophobicContact CG1-CE2 3.7Å; V616-Y620 VanDerWaalsContact O-CD2 3.3Å; V616-Y620 WeakPolarHBondContact O-CD2 3.45Å; V616-Y620 PolarHBondContact O-N 3.33Å; P617-Y620 WeakPolarHBondContact O-CA 3.21Å; P617-Y620 WeakPolarHBondContact O-CB 3.47Å; P617-Y620 PolarHBondContact O-N 3.34Å; L618-Y620 PolarHBondContact O-N 3.48Å; Y620-G622 PolarHBondContact O-N 3.04Å; Y620-G622 VanDerWaalsContact O-N 3.12Å
621	R	92.6	Very high	93.4	Very high	37 Å²	37	24.1 Å²	24.1	14%	0.14	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	20.3	169.3	-64.2	-58.8	-176.5	170.9	-4.5	114.8	V428 E431 T432 V503 A505 P617 L618 V623	V428-R621 HydrophobicContact CG1-CB 4.34Å; E431-R621 VanDerWaalsContact O-CZ 3.23Å; E431-R621 PolarHBondContact O-NE 3.44Å; E431-R621 PolarHBondContact O-NH2 3.49Å; E431-R621 WeakPolarHBondContact OE2-CD 3.48Å; E431-R621 IonicContact OE2-CZ 3.3Å; E431-R621 IonicContact OE2-NE 2.7Å; E431-R621 IonicContact OE2-NH1 3.81Å; E431-R621 PolarHBondContact OE2-NH1 3.49Å; T432-R621 HydrophobicContact CG2-CB 4.24Å; T432-R621 HydrophobicContact CG2-CG 3.36Å; V503-R621 CarbonylContact O-C 3.51Å; V503-R621 WeakPolarHBondContact O-CA 3.32Å; A505-R621 HydrophobicContact CB-CB 4.43Å; A505-R621 PolarHBondContact N-O 2.98Å; P617-R621 PolarHBondContact O-N 3Å; L618-R621 PolarHBondContact O-N 3.4Å; R621-V623 VanDerWaalsContact C-N 3.29Å; R621-V623 PolarHBondContact O-N 3.39Å
622	G	91.1	Very high	93.4	Very high	28 Å²	28	25.6 Å²	25.6	29%	0.289	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	6.8	172.6	0	0	0	0	0	114.9	V503 Y620	V503-G622 PolarHBondContact O-N 2.76Å; V503-G622 VanDerWaalsContact O-N 3.08Å; Y620-G622 PolarHBondContact O-N 3.04Å; Y620-G622 VanDerWaalsContact O-N 3.12Å
623	V	93.6	Very high	93.4	Very high	9 Å²	9	23.4 Å²	23.4	6%	0.055	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-66.8	136.6	178	-171.9	0	0	0	0	110.8	C229 L231 V428 L618 R621	C229-V623 HydrophobicContact CB-CG1 4.37Å; C229-V623 HydrophobicContact CB-CG2 4.37Å; L231-V623 HydrophobicContact CB-CG1 3.46Å; L231-V623 VanDerWaalsContact CB-CG1 3.46Å; V428-V623 HydrophobicContact CB-CG2 4.31Å; V428-V623 HydrophobicContact CG1-CG2 3.43Å; V428-V623 VanDerWaalsContact CG1-CG2 3.43Å; V428-V623 HydrophobicContact CG2-CG2 3.87Å; L618-V623 WeakPolarHBondContact O-CB 3.42Å; L618-V623 WeakPolarHBondContact O-CG2 3.42Å; R621-V623 VanDerWaalsContact C-N 3.29Å; R621-V623 PolarHBondContact O-N 3.39Å
624	R	92.9	Very high	93.3	Very high	95 Å²	95	23.7 Å²	23.7	36%	0.358	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	143.1	172.3	-68.3	-172.5	-178.6	-86.9	-5.2	109.4	A224 L230 L231	A224-R624 HydrophobicContact CB-CB 4.35Å; A224-R624 HydrophobicContact CB-CG 4.32Å; L230-R624 CarbonylContact C-O 3.38Å; L230-R624 WeakPolarHBondContact CA-O 3.39Å; L230-R624 HydrophobicContact CD1-CB 4.01Å; L230-R624 WeakPolarHBondContact CD1-O 3.43Å; L231-R624 PolarHBondContact N-O 3.4Å
625	V	95.4	Very high	93.1	Very high	7 Å²	7	24.5 Å²	24.5	4%	0.042	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	135.4	177.2	179.4	0	0	0	0	110.4	W194 F199 L231 W615 V619	W194-V625 HydrophobicContact CH2-CB 3.81Å; W194-V625 HydrophobicContact CH2-CG1 4.1Å; W194-V625 HydrophobicContact CH2-CG2 3.49Å; W194-V625 VanDerWaalsContact CH2-CG2 3.49Å; W194-V625 HydrophobicContact CZ2-CG2 4.25Å; W194-V625 HydrophobicContact CZ3-CB 4.09Å; W194-V625 HydrophobicContact CZ3-CG1 3.85Å; W194-V625 HydrophobicContact CZ3-CG2 4.04Å; F199-V625 HydrophobicContact CE2-CG1 4.16Å; F199-V625 HydrophobicContact CZ-CB 4.11Å; F199-V625 HydrophobicContact CZ-CG1 3.77Å; L231-V625 HydrophobicContact CB-CG2 4.48Å; L231-V625 HydrophobicContact CD2-CG2 4.36Å; L231-V625 CarbonylContact O-C 3.38Å; L231-V625 WeakPolarHBondContact O-CA 3.18Å; W615-V625 HydrophobicContact CH2-CG1 3.87Å; W615-V625 HydrophobicContact CH2-CG2 4.45Å; W615-V625 HydrophobicContact CZ2-CB 4.29Å; W615-V625 HydrophobicContact CZ2-CG1 3.5Å; W615-V625 HydrophobicContact CZ2-CG2 3.76Å; V619-V625 HydrophobicContact CG2-CG2 3.81Å
626	A	93.6	Very high	92.8	Very high	3 Å²	3	24.8 Å²	24.8	3%	0.025	13%	0.126	C	C	.	.			trans	-104.6	153.4	172.4	0	0	0	0	0	112	L230 L231 Q232 M630	L230-A626 HydrophobicContact CD1-CB 3.76Å; L230-A626 HydrophobicContact CD2-CB 3.57Å; L230-A626 HydrophobicContact CG-CB 3.74Å; L231-A626 PolarHBondContact O-N 3.31Å; Q232-A626 HydrophobicContact CG-CB 3.59Å; A626-M630 HydrophobicContact CB-CB 3.5Å; A626-M630 VanDerWaalsContact CB-CB 3.5Å; A626-M630 HydrophobicContact CB-CG 4.09Å
627	G	93.6	Very high	92.5	Very high	9 Å²	9	23.4 Å²	23.4	9%	0.093	12%	0.117	C	C	.	.			trans	-109.9	-171.9	167.8	0	0	0	0	0	110.9	G210 V211 H629 M630 S631	G210-G627 CarbonylContact O-C 3.59Å; G210-G627 WeakPolarHBondContact O-CA 3.2Å; V211-G627 CarbonylContact O-C 3.17Å; G627-H629 VanDerWaalsContact C-N 3.27Å; G627-H629 PolarHBondContact O-N 2.87Å; G627-M630 PolarHBondContact O-N 3.2Å; G627-S631 PolarHBondContact O-N 2.86Å
628	L	92.9	Very high	92.2	Very high	27 Å²	27	25.3 Å²	25.3	14%	0.141	13%	0.125	C	C	.	.	H	α-helix	trans	-53.7	-39.6	-176.2	-66.1	174.7	0	0	0	113.6	W205 L209 G210 V211 Y236 M630 S631 L632	W205-L628 HydrophobicContact CZ3-CD1 4.46Å; W205-L628 HydrophobicContact CZ3-CD2 4.41Å; L209-L628 HydrophobicContact CB-CD1 3.73Å; L209-L628 HydrophobicContact CB-CG 4.36Å; L209-L628 HydrophobicContact CD1-CD1 3.92Å; L209-L628 HydrophobicContact CD1-CD2 4.3Å; L209-L628 HydrophobicContact CG-CD1 4.48Å; G210-L628 PolarHBondContact O-N 3.19Å; V211-L628 HydrophobicContact CG2-CD1 4.14Å; V211-L628 PolarHBondContact O-N 3.43Å; Y236-L628 HydrophobicContact CE1-CD2 4.19Å; L628-M630 VanDerWaalsContact C-N 3.29Å; L628-M630 PolarHBondContact O-N 2.77Å; L628-S631 WeakPolarHBondContact O-CB 3.36Å; L628-S631 PolarHBondContact O-N 3.06Å; L628-L632 PolarHBondContact O-N 3.06Å
629	H	93.1	Very high	91.8	Very high	83 Å²	83	26 Å²	26	38%	0.384	13%	0.131	S	C	.	.	H	α-helix	trans	-62.3	-36	179.9	-178.9	67.8	0	0	0	112.8	V211 G627 K633	V211-H629 HydrophobicContact CG1-CB 4.18Å; V211-H629 WeakPolarHBondContact O-CB 3.32Å; V211-H629 PolarHBondContact O-N 3.4Å; V211-H629 VanDerWaalsContact O-N 3.12Å; G627-H629 VanDerWaalsContact C-N 3.27Å; G627-H629 PolarHBondContact O-N 2.87Å; H629-K633 WeakPolarHBondContact O-CG 3.2Å; H629-K633 PolarHBondContact O-N 3.25Å; H629-K633 VanDerWaalsContact O-N 3.15Å
630	M	92.6	Very high	91.4	Very high	6 Å²	6	26.9 Å²	26.9	3%	0.03	14%	0.14	C	C	.	.	H	α-helix	trans	-76.8	-24.9	176.5	-73.3	-56	-42.7	0	0	112.3	Y218 C221 M225 A626 G627 L628 K633 H634	Y218-M630 HydrophobicContact CD2-CE 4.42Å; Y218-M630 HydrophobicContact CD2-SD 3.91Å; C221-M630 HydrophobicContact CB-CE 3.66Å; C221-M630 HydrophobicContact CB-CG 4.28Å; C221-M630 HydrophobicContact CB-SD 3.92Å; M225-M630 HydrophobicContact SD-CE 4.21Å; A626-M630 HydrophobicContact CB-CB 3.5Å; A626-M630 VanDerWaalsContact CB-CB 3.5Å; A626-M630 HydrophobicContact CB-CG 4.09Å; G627-M630 PolarHBondContact O-N 3.2Å; L628-M630 VanDerWaalsContact C-N 3.29Å; L628-M630 PolarHBondContact O-N 2.77Å; M630-K633 HydrophobicContact CE-CB 4.2Å; M630-K633 PolarHBondContact O-N 3.3Å; M630-H634 WeakPolarHBondContact O-CB 3.37Å; M630-H634 PolarHBondContact O-N 3.01Å
631	S	92.2	Very high	91.2	Very high	6 Å²	6	25.4 Å²	25.4	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-67.5	-41.6	172.6	-164.5	0	0	0	0	111.3	Q232 G627 L628 H634 S635	Q232-S631 PolarHBondContact OE1-OG 2.89Å; G627-S631 PolarHBondContact O-N 2.86Å; L628-S631 WeakPolarHBondContact O-CB 3.36Å; L628-S631 PolarHBondContact O-N 3.06Å; S631-H634 WeakPolarHBondContact O-CB 3.31Å; S631-H634 PolarHBondContact O-N 3.17Å; S631-S635 PolarHBondContact O-N 3.42Å; S631-S635 PolarHBondContact O-OG 3.16Å
632	L	92	Very high	91.1	Very high	31 Å²	31	24.4 Å²	24.4	16%	0.162	14%	0.137	C	C	.	.	H	α-helix	trans	-58.5	-50.5	170.8	-170.9	72.5	0	0	0	111.1	L628 H634 S635 Q636 H642 Q904	L628-L632 PolarHBondContact O-N 3.06Å; L632-H634 VanDerWaalsContact C-N 3.31Å; L632-H634 PolarHBondContact O-N 3.12Å; L632-S635 PolarHBondContact O-N 2.82Å; L632-S635 VanDerWaalsContact O-N 3.13Å; L632-Q636 PolarHBondContact O-N 3.25Å; L632-H642 HydrophobicContact CD1-CB 4.09Å; L632-H642 VanDerWaalsContact CD1-CD2 3.46Å; L632-H642 WeakPolarHBondContact CD1-CD2 3.5Å; L632-Q904 VanDerWaalsContact CD1-NE2 3.3Å
633	K	91.6	Very high	91.2	Very high	13 Å²	13	23.7 Å²	23.7	6%	0.057	13%	0.126	C	C	.	.	H	α-helix	trans	-61.6	-38.4	178.2	-67.6	-71	153.2	-162.3	0	113	Y218 H629 M630 S635 Q636 D637 D906	Y218-K633 HydrophobicContact CE2-CB 4.43Å; Y218-K633 HydrophobicContact CE2-CD 3.94Å; Y218-K633 HydrophobicContact CE2-CG 3.94Å; H629-K633 WeakPolarHBondContact O-CG 3.2Å; H629-K633 PolarHBondContact O-N 3.25Å; H629-K633 VanDerWaalsContact O-N 3.15Å; M630-K633 HydrophobicContact CE-CB 4.2Å; M630-K633 PolarHBondContact O-N 3.3Å; K633-S635 VanDerWaalsContact C-N 3.34Å; K633-Q636 PolarHBondContact O-N 3.15Å; K633-D637 WeakPolarHBondContact O-CB 3.42Å; K633-D637 VanDerWaalsContact O-CG 3.3Å; K633-D637 PolarHBondContact O-N 3.31Å; K633-D906 WeakPolarHBondContact CE-OD2 3.44Å; K633-D906 VanDerWaalsContact NZ-CG 3.34Å; K633-D906 IonicContact NZ-OD2 3.64Å; K633-D906 PolarHBondContact NZ-OD2 2.96Å
634	H	91.4	Very high	91	Very high	11 Å²	11	23.3 Å²	23.3	5%	0.051	12%	0.124	C	C	.	.	H	α-helix	trans	-60.7	-44.1	174	170.2	51.7	0	0	0	112.2	M225 W598 M630 S631 L632 K638	M225-H634 HydrophobicContact CE-CB 3.48Å; M225-H634 VanDerWaalsContact CE-CB 3.48Å; M225-H634 WeakPolarHBondContact CE-ND1 3.33Å; W598-H634 AromaticContact CZ3-ND1 3.77Å; M630-H634 WeakPolarHBondContact O-CB 3.37Å; M630-H634 PolarHBondContact O-N 3.01Å; S631-H634 WeakPolarHBondContact O-CB 3.31Å; S631-H634 PolarHBondContact O-N 3.17Å; L632-H634 VanDerWaalsContact C-N 3.31Å; L632-H634 PolarHBondContact O-N 3.12Å; H634-K638 WeakPolarHBondContact O-CB 3.25Å; H634-K638 PolarHBondContact O-N 3.03Å
635	S	90.4	Very high	90.7	Very high	17 Å²	17	20.9 Å²	20.9	12%	0.119	12%	0.116	C	C	.	.	H	α-helix	trans	-66	-41.7	178	-50.5	0	0	0	0	110.8	S631 L632 K633 K638 A639 A640 H642	S631-S635 PolarHBondContact O-N 3.42Å; S631-S635 PolarHBondContact O-OG 3.16Å; L632-S635 PolarHBondContact O-N 2.82Å; L632-S635 VanDerWaalsContact O-N 3.13Å; K633-S635 VanDerWaalsContact C-N 3.34Å; S635-K638 CarbonylContact O-C 3.45Å; S635-K638 PolarHBondContact O-N 2.86Å; S635-A639 PolarHBondContact O-N 3.22Å; S635-A639 VanDerWaalsContact O-N 3.07Å; S635-A640 CarbonylContact C-O 3.44Å; S635-A640 PolarHBondContact O-N 3.45Å; S635-H642 PolarHBondContact OG-ND1 3.29Å
636	Q	88.9	Confident	90.3	Very high	7 Å²	7	20.7 Å²	20.7	3%	0.033	12%	0.115	C	C	.	.	H	α-helix	trans	-59.2	-53.4	175.9	-176.2	-178.8	1.6	0	0	112.4	L632 K633 K638 A639 E915 L917	L632-Q636 PolarHBondContact O-N 3.25Å; K633-Q636 PolarHBondContact O-N 3.15Å; Q636-K638 VanDerWaalsContact C-N 3.26Å; Q636-K638 PolarHBondContact O-N 3.26Å; Q636-A639 WeakPolarHBondContact O-CA 3.3Å; Q636-A639 PolarHBondContact O-N 3.48Å; Q636-E915 PolarHBondContact NE2-O 2.93Å; Q636-L917 HydrophobicContact CB-CD1 4.16Å; Q636-L917 HydrophobicContact CG-CD1 3.93Å
637	D	88.6	Confident	90.2	Very high	7 Å²	7	21.7 Å²	21.7	4%	0.037	12%	0.118	C	C	.	.	H	α-helix	trans	-66.2	-29.6	179.6	-68.1	-20.5	0	0	0	111.6	W598 K633 A639	W598-D637 HydrophobicContact CE3-CB 4.37Å; W598-D637 HydrophobicContact CH2-CB 3.19Å; W598-D637 HydrophobicContact CZ2-CB 4Å; W598-D637 HydrophobicContact CZ3-CB 3.42Å; W598-D637 VanDerWaalsContact CZ3-CB 3.42Å; K633-D637 WeakPolarHBondContact O-CB 3.42Å; K633-D637 VanDerWaalsContact O-CG 3.3Å; K633-D637 PolarHBondContact O-N 3.31Å; D637-A639 PolarHBondContact O-N 3.09Å
638	K	87	Confident	90	Very high	43 Å²	43	21.9 Å²	21.9	19%	0.187	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-10.1	172.7	-176.9	171.1	169.8	176.4	0	112.6	P587 G588 K589 W598 H634 S635 Q636 A640	P587-K638 PolarHBondContact O-NZ 2.82Å; G588-K638 VanDerWaalsContact O-CE 3.25Å; G588-K638 WeakPolarHBondContact O-CE 3.46Å; K589-K638 HydrophobicContact CB-CG 4.32Å; W598-K638 HydrophobicContact CE3-CB 4.43Å; W598-K638 HydrophobicContact CZ3-CB 4.13Å; H634-K638 WeakPolarHBondContact O-CB 3.25Å; H634-K638 PolarHBondContact O-N 3.03Å; S635-K638 CarbonylContact O-C 3.45Å; S635-K638 PolarHBondContact O-N 2.86Å; Q636-K638 VanDerWaalsContact C-N 3.26Å; Q636-K638 PolarHBondContact O-N 3.26Å; K638-A640 VanDerWaalsContact C-N 3.26Å; K638-A640 HydrophobicContact CG-CB 4.24Å; K638-A640 PolarHBondContact O-N 3.21Å
639	A	86.1	Confident	89.8	Confident	16 Å²	16	21.6 Å²	21.6	13%	0.132	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	33.3	-172.4	0	0	0	0	0	113.8	S635 Q636 D637	S635-A639 PolarHBondContact O-N 3.22Å; S635-A639 VanDerWaalsContact O-N 3.07Å; Q636-A639 WeakPolarHBondContact O-CA 3.3Å; Q636-A639 PolarHBondContact O-N 3.48Å; D637-A639 PolarHBondContact O-N 3.09Å
640	A	86.7	Confident	89.7	Confident	31 Å²	31	17.6 Å²	17.6	26%	0.256	10%	0.098	S	C	.	.			trans	-112	139.6	178	0	0	0	0	0	110.8	S635 K638 H642	S635-A640 CarbonylContact C-O 3.44Å; S635-A640 PolarHBondContact O-N 3.45Å; K638-A640 VanDerWaalsContact C-N 3.26Å; K638-A640 HydrophobicContact CG-CB 4.24Å; K638-A640 PolarHBondContact O-N 3.21Å; A640-H642 PolarHBondContact O-N 3.32Å
641	P	89.1	Confident	89.6	Confident	48 Å²	48	19.8 Å²	19.8	31%	0.312	11%	0.112	S	C	.	.			trans	-65.3	133	177.5	27.2	-34.2	0	0	0	110.8	D646 Y647 W797	P641-D646 HydrophobicContact CB-CB 3.76Å; P641-Y647 HydrophobicContact CB-CE2 3.88Å; P641-Y647 HydrophobicContact CG-CE2 4.29Å; P641-W797 HydrophobicContact CB-CD2 4.41Å; P641-W797 HydrophobicContact CB-CH2 4.16Å; P641-W797 HydrophobicContact CB-CZ2 3.84Å
642	H	91.1	Very high	89.6	Confident	15 Å²	15	19.6 Å²	19.6	7%	0.069	11%	0.112	C	C	.	.			trans	-97.3	115.7	-180	-168.7	68.1	0	0	0	110.7	L632 S635 A640 H645 D646	L632-H642 HydrophobicContact CD1-CB 4.09Å; L632-H642 VanDerWaalsContact CD1-CD2 3.46Å; L632-H642 WeakPolarHBondContact CD1-CD2 3.5Å; S635-H642 PolarHBondContact OG-ND1 3.29Å; A640-H642 PolarHBondContact O-N 3.32Å; H642-H645 AromaticContact CD2-CD2 3.49Å; H642-H645 PolarHBondContact CD2-CD2 3.24Å; H642-H645 VanDerWaalsContact CD2-CD2 3.49Å; H642-H645 WeakPolarHBondContact O-CA 3.22Å; H642-H645 WeakPolarHBondContact O-CB 3.08Å; H642-H645 PolarHBondContact O-N 3.23Å; H642-D646 PolarHBondContact N-OD2 3Å; H642-D646 PolarHBondContact O-N 2.99Å
643	F	91.8	Very high	89.6	Confident	13 Å²	13	18.2 Å²	18.2	6%	0.057	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	138.8	175.2	-172.5	-91.9	0	0	0	111.3	P294 H316 L319 Y647 A652	P294-F643 HydrophobicContact CG-CB 3.77Å; P294-F643 HydrophobicContact CG-CD2 3.87Å; P294-F643 HydrophobicContact CG-CG 3.94Å; H316-F643 HydrophobicContact CB-CD1 3.52Å; H316-F643 HydrophobicContact CB-CE1 3.58Å; H316-F643 AromaticContact CG-CD1 3.66Å; H316-F643 AromaticContact CG-CE1 3.81Å; H316-F643 AromaticContact ND1-CD1 3.95Å; H316-F643 AromaticContact ND1-CE1 3.76Å; L319-F643 HydrophobicContact CB-CE1 3.79Å; L319-F643 HydrophobicContact CB-CZ 3.79Å; L319-F643 HydrophobicContact CD1-CZ 4.35Å; L319-F643 HydrophobicContact CG-CZ 4.47Å; F643-Y647 HydrophobicContact CB-CD2 3.92Å; F643-Y647 HydrophobicContact CB-CE2 3.86Å; F643-Y647 HydrophobicContact CD2-CD1 4.26Å; F643-Y647 AromaticContact CD2-CD2 3.61Å; F643-Y647 HydrophobicContact CD2-CD2 3.61Å; F643-Y647 HydrophobicContact CD2-CE2 4.13Å; F643-Y647 AromaticContact CD2-CG 3.69Å; F643-Y647 HydrophobicContact CD2-CG 3.69Å; F643-Y647 HydrophobicContact CE2-CG 4.34Å; F643-Y647 HydrophobicContact CG-CD2 4.25Å; F643-A652 HydrophobicContact CE1-CB 4.38Å; F643-A652 HydrophobicContact CE2-CB 4.32Å; F643-A652 HydrophobicContact CZ-CB 3.61Å
644	P	89.7	Confident	89.5	Confident	1 Å²	1	20 Å²	20	1%	0.006	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.8	-4.4	-0.6	-11.7	29.6	0	0	0	116	W205 A318 D646 Y647 F656	W205-P644 HydrophobicContact CZ2-CG 4.47Å; A318-P644 HydrophobicContact CB-CG 4.09Å; P644-D646 PolarHBondContact O-N 2.89Å; P644-Y647 PolarHBondContact O-N 3.2Å; P644-F656 HydrophobicContact CB-CB 4.27Å
645	H	86.4	Confident	89.6	Confident	45 Å²	45	24.4 Å²	24.4	21%	0.208	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-39.7	-169.1	-68.1	-100.2	0	0	0	114.8	H642 F656	H642-H645 AromaticContact CD2-CD2 3.49Å; H642-H645 PolarHBondContact CD2-CD2 3.24Å; H642-H645 VanDerWaalsContact CD2-CD2 3.49Å; H642-H645 WeakPolarHBondContact O-CA 3.22Å; H642-H645 WeakPolarHBondContact O-CB 3.08Å; H642-H645 PolarHBondContact O-N 3.23Å; H645-F656 HydrophobicContact CB-CE1 4.17Å; H645-F656 AromaticContact CE1-CE1 3.89Å; H645-F656 AromaticContact CE1-CE2 3.45Å; H645-F656 VanDerWaalsContact CE1-CE2 3.45Å; H645-F656 WeakPolarHBondContact CE1-CE2 3.26Å; H645-F656 AromaticContact CE1-CZ 3.08Å; H645-F656 WeakPolarHBondContact CE1-CZ 3.18Å; H645-F656 AromaticContact CG-CE1 3.82Å; H645-F656 AromaticContact CG-CZ 3.78Å; H645-F656 AromaticContact ND1-CE1 3.31Å; H645-F656 VanDerWaalsContact ND1-CE1 3.31Å; H645-F656 WeakPolarHBondContact ND1-CE1 3.45Å; H645-F656 AromaticContact ND1-CE2 3.76Å; H645-F656 AromaticContact ND1-CZ 2.97Å; H645-F656 WeakPolarHBondContact ND1-CZ 3.31Å; H645-F656 AromaticContact NE2-CE2 3.93Å; H645-F656 AromaticContact NE2-CZ 3.93Å
646	D	88.6	Confident	89.7	Confident	3 Å²	3	24.2 Å²	24.2	2%	0.016	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	32.1	-172.1	-59.5	-41.7	0	0	0	112.3	P641 H642 P644 W797 T903 Q904 F919	P641-D646 HydrophobicContact CB-CB 3.76Å; H642-D646 PolarHBondContact N-OD2 3Å; H642-D646 PolarHBondContact O-N 2.99Å; P644-D646 PolarHBondContact O-N 2.89Å; D646-W797 HydrophobicContact CB-CH2 3.54Å; D646-W797 HydrophobicContact CB-CZ2 4.47Å; D646-W797 HydrophobicContact CB-CZ3 3.6Å; D646-T903 WeakPolarHBondContact OD1-CB 2.97Å; D646-T903 PolarHBondContact OD1-OG1 2.7Å; D646-Q904 PolarHBondContact OD1-NE2 3.19Å; D646-Q904 PolarHBondContact OD2-NE2 2.89Å; D646-F919 VanDerWaalsContact O-CZ 3.28Å; D646-F919 WeakPolarHBondContact O-CZ 3.48Å
647	Y	90.8	Very high	89.8	Confident	24 Å²	24	25.8 Å²	25.8	9%	0.094	14%	0.14	C	C	.	.			trans	-132.4	71	-178.9	-75	-98.7	0	0	0	110.6	P294 P641 F643 P644 D649 C650 G653	P294-Y647 HydrophobicContact CB-CE1 4.45Å; P294-Y647 HydrophobicContact CG-CE1 3.96Å; P294-Y647 HydrophobicContact CG-CE2 4.03Å; P641-Y647 HydrophobicContact CB-CE2 3.88Å; P641-Y647 HydrophobicContact CG-CE2 4.29Å; F643-Y647 HydrophobicContact CB-CD2 3.92Å; F643-Y647 HydrophobicContact CB-CE2 3.86Å; F643-Y647 HydrophobicContact CD2-CD1 4.26Å; F643-Y647 AromaticContact CD2-CD2 3.61Å; F643-Y647 HydrophobicContact CD2-CD2 3.61Å; F643-Y647 HydrophobicContact CD2-CE2 4.13Å; F643-Y647 AromaticContact CD2-CG 3.69Å; F643-Y647 HydrophobicContact CD2-CG 3.69Å; F643-Y647 HydrophobicContact CE2-CG 4.34Å; F643-Y647 HydrophobicContact CG-CD2 4.25Å; P644-Y647 PolarHBondContact O-N 3.2Å; Y647-D649 VanDerWaalsContact C-N 3.29Å; Y647-D649 PolarHBondContact O-N 3.27Å; Y647-C650 PolarHBondContact O-N 2.94Å; Y647-G653 VanDerWaalsContact O-CA 3.32Å; Y647-G653 WeakPolarHBondContact O-CA 3.36Å
648	P	89.8	Confident	89.9	Confident	13 Å²	13	31.6 Å²	31.6	8%	0.084	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.1	-169.2	30.1	-36.8	0	0	0	114.7	W692 F743 V745 F919	P648-W692 HydrophobicContact CB-CG 4.47Å; P648-F743 HydrophobicContact CB-CE2 4.47Å; P648-F743 HydrophobicContact CB-CZ 4.1Å; P648-F743 HydrophobicContact CG-CE2 4.24Å; P648-F743 HydrophobicContact CG-CZ 4.38Å; P648-V745 HydrophobicContact CG-CG2 4.34Å; P648-F919 HydrophobicContact CG-CD2 4.15Å; P648-F919 HydrophobicContact CG-CE1 4.49Å; P648-F919 HydrophobicContact CG-CE2 3.83Å; P648-F919 HydrophobicContact CG-CZ 4.01Å
649	D	88.6	Confident	90.2	Very high	20 Å²	20	34.5 Å²	34.5	11%	0.107	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-10	178.8	56	-16.4	0	0	0	113.3	P291 Y647 F743 V745 R747	P291-D649 HydrophobicContact CG-CB 4.01Å; P291-D649 WeakPolarHBondContact CG-OD2 3.34Å; Y647-D649 VanDerWaalsContact C-N 3.29Å; Y647-D649 PolarHBondContact O-N 3.27Å; D649-F743 HydrophobicContact CB-CE2 4.04Å; D649-F743 HydrophobicContact CB-CZ 4.28Å; D649-V745 HydrophobicContact CB-CG2 4.08Å; D649-V745 VanDerWaalsContact OD2-CB 3.25Å; D649-V745 WeakPolarHBondContact OD2-CB 3.14Å; D649-V745 VanDerWaalsContact OD2-CG2 3.3Å; D649-V745 WeakPolarHBondContact OD2-CG2 3.42Å; D649-V745 PolarHBondContact OD2-N 2.99Å; D649-R747 IonicContact OD1-CZ 3.75Å; D649-R747 IonicContact OD1-NH2 2.94Å; D649-R747 PolarHBondContact OD1-NH2 2.86Å; D649-R747 IonicContact OD2-CZ 3.77Å; D649-R747 IonicContact OD2-NH1 3.34Å; D649-R747 PolarHBondContact OD2-NH1 3.38Å; D649-R747 IonicContact OD2-NH2 3.4Å; D649-R747 PolarHBondContact OD2-NH2 2.98Å
650	C	90.4	Very high	90.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-88.1	145.8	177.8	-62.7	0	0	0	0	111.3	P291 L292 Y647 A652 G653 S654	P291-C650 WeakPolarHBondContact O-CA 3.48Å; P291-C650 PolarHBondContact O-SG 3.36Å; L292-C650 WeakPolarHBondContact O-CB 3.36Å; L292-C650 PolarHBondContact O-SG 2.96Å; L292-C650 VanDerWaalsContact O-SG 3.39Å; Y647-C650 PolarHBondContact O-N 2.94Å; C650-A652 PolarHBondContact O-N 2.76Å; C650-G653 WeakPolarHBondContact O-CA 3.43Å; C650-G653 PolarHBondContact O-N 3.49Å; C650-S654 PolarHBondContact O-N 2.71Å; C650-S654 PolarHBondContact O-OG 2.82Å
651	P	90.9	Very high	90.6	Very high	51 Å²	51	36.5 Å²	36.5	33%	0.331	18%	0.182	S	C	.	.	H	α-helix	trans	-54.7	-39.9	175.2	-25.6	33.1	0	0	0	113.2	G653 S654 R655	P651-G653 VanDerWaalsContact C-N 3.27Å; P651-G653 PolarHBondContact O-N 3.25Å; P651-S654 PolarHBondContact O-N 2.9Å; P651-R655 WeakPolarHBondContact O-CG 3.19Å; P651-R655 PolarHBondContact O-N 3.08Å; P651-R655 VanDerWaalsContact O-N 3.07Å
652	A	91.8	Very high	90.8	Very high	3 Å²	3	37 Å²	37	3%	0.025	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-31.5	175.3	0	0	0	0	0	113.1	A318 F643 C650 F656	A318-A652 HydrophobicContact CB-CB 4.1Å; F643-A652 HydrophobicContact CE1-CB 4.38Å; F643-A652 HydrophobicContact CE2-CB 4.32Å; F643-A652 HydrophobicContact CZ-CB 3.61Å; C650-A652 PolarHBondContact O-N 2.76Å; A652-F656 VanDerWaalsContact O-CB 3.32Å; A652-F656 WeakPolarHBondContact O-CB 3.46Å; A652-F656 PolarHBondContact O-N 3.28Å; A652-F656 VanDerWaalsContact O-N 3.15Å
653	G	91.4	Very high	90.9	Very high	2 Å²	2	41.8 Å²	41.8	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-72.6	-42.6	175	0	0	0	0	0	112.2	Y647 C650 P651 F656 Q657	Y647-G653 VanDerWaalsContact O-CA 3.32Å; Y647-G653 WeakPolarHBondContact O-CA 3.36Å; C650-G653 WeakPolarHBondContact O-CA 3.43Å; C650-G653 PolarHBondContact O-N 3.49Å; P651-G653 VanDerWaalsContact C-N 3.27Å; P651-G653 PolarHBondContact O-N 3.25Å; G653-F656 CarbonylContact O-C 3.5Å; G653-F656 WeakPolarHBondContact O-CB 3.29Å; G653-F656 PolarHBondContact O-N 3.39Å; G653-F656 VanDerWaalsContact O-N 3.16Å; G653-Q657 WeakPolarHBondContact O-CB 3.34Å; G653-Q657 PolarHBondContact O-N 3.02Å
654	S	90.9	Very high	91	Very high	50 Å²	50	44.4 Å²	44.4	35%	0.35	22%	0.224	S	C	.	.	H	α-helix	trans	-59.3	-50.4	175.1	-46	0	0	0	0	111.3	C650 P651 F656 Q657 E658	C650-S654 PolarHBondContact O-N 2.71Å; C650-S654 PolarHBondContact O-OG 2.82Å; P651-S654 PolarHBondContact O-N 2.9Å; S654-F656 VanDerWaalsContact C-N 3.26Å; S654-F656 PolarHBondContact O-N 2.87Å; S654-Q657 PolarHBondContact O-N 2.95Å; S654-Q657 VanDerWaalsContact O-N 3.11Å; S654-E658 WeakPolarHBondContact O-CG 3.21Å; S654-E658 PolarHBondContact O-N 2.96Å
655	R	92.3	Very high	91.1	Very high	103 Å²	103	46.2 Å²	46.2	39%	0.389	23%	0.233	S	C	.	.	H	α-helix	trans	-56.2	-41.1	174.3	-66.6	176.3	-168.2	148.7	13.2	111.7	D322 P651 E659	D322-R655 IonicContact OD1-CZ 3.65Å; D322-R655 IonicContact OD1-NH1 3.32Å; D322-R655 PolarHBondContact OD1-NH1 3.36Å; D322-R655 VanDerWaalsContact OD1-NH1 3.13Å; D322-R655 IonicContact OD1-NH2 3.65Å; D322-R655 PolarHBondContact OD1-NH2 2.96Å; D322-R655 IonicContact OD2-CZ 3.5Å; D322-R655 IonicContact OD2-NH1 2.63Å; D322-R655 PolarHBondContact OD2-NH1 3.02Å; D322-R655 IonicContact OD2-NH2 3.17Å; P651-R655 WeakPolarHBondContact O-CG 3.19Å; P651-R655 PolarHBondContact O-N 3.08Å; P651-R655 VanDerWaalsContact O-N 3.07Å; R655-E659 WeakPolarHBondContact O-CG 3.42Å; R655-E659 PolarHBondContact O-N 2.76Å; R655-E659 VanDerWaalsContact O-N 3.08Å
656	F	92	Very high	91.4	Very high	13 Å²	13	50.4 Å²	50.4	6%	0.057	25%	0.253	C	S	.	.	H	α-helix	trans	-67.8	-39.5	178.1	174.5	-95.4	0	0	0	112.8	P644 H645 A652 G653 S654 E659 Q660	P644-F656 HydrophobicContact CB-CB 4.27Å; H645-F656 HydrophobicContact CB-CE1 4.17Å; H645-F656 AromaticContact CE1-CE1 3.89Å; H645-F656 AromaticContact CE1-CE2 3.45Å; H645-F656 VanDerWaalsContact CE1-CE2 3.45Å; H645-F656 WeakPolarHBondContact CE1-CE2 3.26Å; H645-F656 AromaticContact CE1-CZ 3.08Å; H645-F656 WeakPolarHBondContact CE1-CZ 3.18Å; H645-F656 AromaticContact CG-CE1 3.82Å; H645-F656 AromaticContact CG-CZ 3.78Å; H645-F656 AromaticContact ND1-CE1 3.31Å; H645-F656 VanDerWaalsContact ND1-CE1 3.31Å; H645-F656 WeakPolarHBondContact ND1-CE1 3.45Å; H645-F656 AromaticContact ND1-CE2 3.76Å; H645-F656 AromaticContact ND1-CZ 2.97Å; H645-F656 WeakPolarHBondContact ND1-CZ 3.31Å; H645-F656 AromaticContact NE2-CE2 3.93Å; H645-F656 AromaticContact NE2-CZ 3.93Å; A652-F656 VanDerWaalsContact O-CB 3.32Å; A652-F656 WeakPolarHBondContact O-CB 3.46Å; A652-F656 PolarHBondContact O-N 3.28Å; A652-F656 VanDerWaalsContact O-N 3.15Å; G653-F656 CarbonylContact O-C 3.5Å; G653-F656 WeakPolarHBondContact O-CB 3.29Å; G653-F656 PolarHBondContact O-N 3.39Å; G653-F656 VanDerWaalsContact O-N 3.16Å; S654-F656 VanDerWaalsContact C-N 3.26Å; S654-F656 PolarHBondContact O-N 2.87Å; F656-E659 PolarHBondContact O-N 3.07Å; F656-Q660 HydrophobicContact CE1-CB 4.39Å; F656-Q660 HydrophobicContact CZ-CB 4.37Å; F656-Q660 WeakPolarHBondContact O-CB 3.27Å; F656-Q660 PolarHBondContact O-N 2.86Å
657	Q	91.1	Very high	91.6	Very high	41 Å²	41	51.9 Å²	51.9	19%	0.192	26%	0.262	C	S	.	.	H	α-helix	trans	-65.3	-41.5	177.9	-177.6	169.3	-25.6	0	0	111	G653 S654 Q660 E661 C690	G653-Q657 WeakPolarHBondContact O-CB 3.34Å; G653-Q657 PolarHBondContact O-N 3.02Å; S654-Q657 PolarHBondContact O-N 2.95Å; S654-Q657 VanDerWaalsContact O-N 3.11Å; Q657-Q660 PolarHBondContact O-N 3.42Å; Q657-E661 WeakPolarHBondContact O-CB 3.44Å; Q657-E661 PolarHBondContact O-N 2.94Å; Q657-C690 VanDerWaalsContact NE2-N 3.16Å; Q657-C690 PolarHBondContact NE2-O 2.81Å; Q657-C690 VanDerWaalsContact NE2-O 3.13Å
658	E	91.8	Very high	91.7	Very high	128 Å²	128	51.1 Å²	51.1	60%	0.598	26%	0.26	S	S	*	.	H	α-helix	trans	-60.7	-46.1	173	-70.2	168.8	-168.4	0	0	112	S654 Q660 E661 A662	S654-E658 WeakPolarHBondContact O-CG 3.21Å; S654-E658 PolarHBondContact O-N 2.96Å; E658-Q660 VanDerWaalsContact C-N 3.3Å; E658-Q660 PolarHBondContact O-N 3.46Å; E658-E661 PolarHBondContact O-N 3.42Å; E658-A662 WeakPolarHBondContact O-CB 3.38Å; E658-A662 PolarHBondContact O-N 3.13Å
659	E	92.1	Very high	91.8	Very high	105 Å²	105	58 Å²	58	49%	0.491	28%	0.284	S	S	.	.	H	α-helix	trans	-58.5	-42.3	174.6	-76.3	-178	-179.6	0	0	111.8	R655 F656 E663	R655-E659 WeakPolarHBondContact O-CG 3.42Å; R655-E659 PolarHBondContact O-N 2.76Å; R655-E659 VanDerWaalsContact O-N 3.08Å; F656-E659 PolarHBondContact O-N 3.07Å; E659-E663 PolarHBondContact O-N 3.13Å
660	Q	91.1	Very high	92.1	Very high	39 Å²	39	65.7 Å²	65.7	18%	0.182	31%	0.311	C	S	.	.	H	α-helix	trans	-69.6	-41.4	179.9	179.2	173.2	94.1	0	0	112	F656 Q657 E658 A662 E663 F664 H811	F656-Q660 HydrophobicContact CE1-CB 4.39Å; F656-Q660 HydrophobicContact CZ-CB 4.37Å; F656-Q660 WeakPolarHBondContact O-CB 3.27Å; F656-Q660 PolarHBondContact O-N 2.86Å; Q657-Q660 PolarHBondContact O-N 3.42Å; E658-Q660 VanDerWaalsContact C-N 3.3Å; E658-Q660 PolarHBondContact O-N 3.46Å; Q660-A662 VanDerWaalsContact C-N 3.34Å; Q660-E663 PolarHBondContact O-N 2.76Å; Q660-F664 HydrophobicContact CG-CD2 3.75Å; Q660-F664 HydrophobicContact CG-CE2 3.36Å; Q660-F664 HydrophobicContact CG-CZ 4.01Å; Q660-F664 WeakPolarHBondContact O-CD2 3.47Å; Q660-F664 PolarHBondContact O-N 2.85Å; Q660-H811 PolarHBondContact OE1-CE1 3.18Å; Q660-H811 PolarHBondContact OE1-NE2 3.35Å; Q660-H811 VanDerWaalsContact OE1-NE2 3.09Å
661	E	91.9	Very high	92.2	Very high	50 Å²	50	72 Å²	72	23%	0.234	34%	0.335	C	S	.	.	H	α-helix	trans	-59.6	-46.5	175	175.1	166.5	-159.7	0	0	110.6	Q657 E658 E663 F664 L665 F688 R689	Q657-E661 WeakPolarHBondContact O-CB 3.44Å; Q657-E661 PolarHBondContact O-N 2.94Å; E658-E661 PolarHBondContact O-N 3.42Å; E661-E663 PolarHBondContact O-N 3.19Å; E661-F664 PolarHBondContact O-N 3.21Å; E661-L665 VanDerWaalsContact O-CB 3.24Å; E661-L665 WeakPolarHBondContact O-CB 3.43Å; E661-L665 PolarHBondContact O-N 3.36Å; E661-F688 HydrophobicContact CG-CB 4.06Å; E661-R689 WeakPolarHBondContact OE2-CD 3.2Å
662	A	92.9	Very high	92.2	Very high	58 Å²	58	73.3 Å²	73.3	48%	0.479	34%	0.344	S	S	.	.	H	α-helix	trans	-59.9	-43.3	175.6	0	0	0	0	0	112.3	E658 Q660 F664 L665 E666	E658-A662 WeakPolarHBondContact O-CB 3.38Å; E658-A662 PolarHBondContact O-N 3.13Å; Q660-A662 VanDerWaalsContact C-N 3.34Å; A662-F664 PolarHBondContact O-N 3.14Å; A662-L665 PolarHBondContact O-N 3.26Å; A662-E666 WeakPolarHBondContact O-CB 3.35Å; A662-E666 PolarHBondContact O-N 3.49Å
663	E	92.7	Very high	92.1	Very high	115 Å²	115	76.9 Å²	76.9	54%	0.537	37%	0.367	S	S	.	.	H	α-helix	trans	-62.3	-43.4	177	-176.5	178.3	-179.6	0	0	111.7	E659 Q660 E661 T667	E659-E663 PolarHBondContact O-N 3.13Å; Q660-E663 PolarHBondContact O-N 2.76Å; E661-E663 PolarHBondContact O-N 3.19Å; E663-T667 WeakPolarHBondContact O-CB 3.44Å; E663-T667 PolarHBondContact O-N 3.02Å; E663-T667 PolarHBondContact O-OG1 2.86Å
664	F	93	Very high	91.9	Very high	69 Å²	69	81.4 Å²	81.4	30%	0.303	40%	0.404	S	S	.	.	H	α-helix	trans	-70.6	-38.8	178.3	-69.9	-36.1	0	0	0	112.5	Q660 E661 A662 T667 F668 F688 H811	Q660-F664 HydrophobicContact CG-CD2 3.75Å; Q660-F664 HydrophobicContact CG-CE2 3.36Å; Q660-F664 HydrophobicContact CG-CZ 4.01Å; Q660-F664 WeakPolarHBondContact O-CD2 3.47Å; Q660-F664 PolarHBondContact O-N 2.85Å; E661-F664 PolarHBondContact O-N 3.21Å; A662-F664 PolarHBondContact O-N 3.14Å; F664-T667 PolarHBondContact O-N 3.4Å; F664-F668 VanDerWaalsContact O-CB 3.3Å; F664-F668 WeakPolarHBondContact O-CB 3.3Å; F664-F668 PolarHBondContact O-N 3.11Å; F664-F688 HydrophobicContact CB-CB 4.14Å; F664-F688 HydrophobicContact CB-CD1 3.4Å; F664-F688 HydrophobicContact CB-CE1 4.01Å; F664-F688 HydrophobicContact CB-CG 3.93Å; F664-F688 HydrophobicContact CD2-CD1 4.46Å; F664-F688 HydrophobicContact CG-CD1 4.23Å; F664-H811 AromaticContact CD2-CE1 3.87Å; F664-H811 AromaticContact CE2-CE1 3.5Å; F664-H811 VanDerWaalsContact CE2-CE1 3.5Å; F664-H811 WeakPolarHBondContact CE2-CE1 3.34Å
665	L	92.4	Very high	92	Very high	39 Å²	39	86.9 Å²	86.9	20%	0.204	42%	0.421	C	S	.	.	H	α-helix	trans	-64	-44.5	175.5	-175.6	62.4	0	0	0	111.3	E661 A662 T667 F668 R669 F688 I879 L882	E661-L665 VanDerWaalsContact O-CB 3.24Å; E661-L665 WeakPolarHBondContact O-CB 3.43Å; E661-L665 PolarHBondContact O-N 3.36Å; A662-L665 PolarHBondContact O-N 3.26Å; L665-T667 VanDerWaalsContact C-N 3.33Å; L665-T667 PolarHBondContact O-N 3.47Å; L665-F668 PolarHBondContact O-N 2.85Å; L665-R669 HydrophobicContact CD1-CG 4.49Å; L665-R669 WeakPolarHBondContact O-CB 3.12Å; L665-R669 VanDerWaalsContact O-CG 3.31Å; L665-R669 WeakPolarHBondContact O-CG 3.1Å; L665-R669 PolarHBondContact O-N 3.48Å; L665-F688 HydrophobicContact CD1-CD2 4.47Å; L665-F688 HydrophobicContact CD1-CE2 4.13Å; L665-I879 HydrophobicContact CD1-CD1 3.78Å; L665-L882 HydrophobicContact CD1-CD1 4.09Å
666	E	93.5	Very high	91.9	Very high	132 Å²	132	83.7 Å²	83.7	62%	0.617	41%	0.409	S	S	*	.	H	α-helix	trans	-60.4	-45.2	174.1	-168.9	-165.6	159.5	0	0	110.6	A662 F668 R669 R670	A662-E666 WeakPolarHBondContact O-CB 3.35Å; A662-E666 PolarHBondContact O-N 3.49Å; E666-F668 VanDerWaalsContact C-N 3.28Å; E666-F668 PolarHBondContact O-N 3.11Å; E666-R669 PolarHBondContact O-N 2.89Å; E666-R670 WeakPolarHBondContact O-CB 3.47Å; E666-R670 PolarHBondContact O-N 3.14Å
667	T	92.9	Very high	91.9	Very high	35 Å²	35	84.9 Å²	84.9	22%	0.215	42%	0.418	C	S	.	.	H	α-helix	trans	-63.2	-36.2	178.2	-59.6	0	0	0	0	112.1	E663 F664 L665	E663-T667 WeakPolarHBondContact O-CB 3.44Å; E663-T667 PolarHBondContact O-N 3.02Å; E663-T667 PolarHBondContact O-OG1 2.86Å; F664-T667 PolarHBondContact O-N 3.4Å; L665-T667 VanDerWaalsContact C-N 3.33Å; L665-T667 PolarHBondContact O-N 3.47Å
668	F	92.4	Very high	91.9	Very high	8 Å²	8	84.6 Å²	84.6	4%	0.035	42%	0.417	C	S	.	.	H	α-helix	trans	-71.2	-45.7	176.6	-176.3	-101.2	0	0	0	111.9	F664 L665 E666 R670 R671 R676 Y679 F688 I879 L882	F664-F668 VanDerWaalsContact O-CB 3.3Å; F664-F668 WeakPolarHBondContact O-CB 3.3Å; F664-F668 PolarHBondContact O-N 3.11Å; L665-F668 PolarHBondContact O-N 2.85Å; E666-F668 VanDerWaalsContact C-N 3.28Å; E666-F668 PolarHBondContact O-N 3.11Å; F668-R670 VanDerWaalsContact C-N 3.28Å; F668-R670 PolarHBondContact O-N 3.35Å; F668-R671 PolarHBondContact O-N 3.36Å; F668-R671 VanDerWaalsContact O-N 3.1Å; F668-R676 HydrophobicContact CD2-CB 4.21Å; F668-R676 HydrophobicContact CE2-CB 4.02Å; F668-R676 HydrophobicContact CE2-CG 4.1Å; F668-R676 HydrophobicContact CZ-CG 4.38Å; F668-Y679 AromaticContact CD2-CE2 3.88Å; F668-Y679 HydrophobicContact CD2-CE2 3.88Å; F668-Y679 AromaticContact CE2-CD2 3.85Å; F668-Y679 HydrophobicContact CE2-CD2 3.85Å; F668-Y679 AromaticContact CE2-CE2 3.41Å; F668-Y679 HydrophobicContact CE2-CE2 3.41Å; F668-Y679 VanDerWaalsContact CE2-CE2 3.41Å; F668-Y679 HydrophobicContact CZ-CD2 4.16Å; F668-Y679 HydrophobicContact CZ-CE2 4.14Å; F668-F688 HydrophobicContact CB-CE1 4.24Å; F668-F688 HydrophobicContact CB-CE2 4.4Å; F668-F688 HydrophobicContact CB-CZ 3.63Å; F668-F688 HydrophobicContact CD1-CZ 4.16Å; F668-F688 HydrophobicContact CD2-CE1 4.44Å; F668-F688 AromaticContact CD2-CZ 3.75Å; F668-F688 HydrophobicContact CD2-CZ 3.75Å; F668-F688 HydrophobicContact CE2-CZ 4.32Å; F668-F688 HydrophobicContact CG-CE2 4.37Å; F668-F688 AromaticContact CG-CZ 3.61Å; F668-F688 HydrophobicContact CG-CZ 3.61Å; F668-I879 HydrophobicContact CD1-CG2 4.35Å; F668-I879 HydrophobicContact CE1-CG2 3.83Å; F668-L882 HydrophobicContact CD1-CD1 3.8Å; F668-L882 HydrophobicContact CD1-CG 4.37Å; F668-L882 HydrophobicContact CE1-CD1 3.43Å; F668-L882 VanDerWaalsContact CE1-CD1 3.43Å; F668-L882 HydrophobicContact CE1-CD2 4.19Å; F668-L882 HydrophobicContact CE1-CG 3.58Å; F668-L882 HydrophobicContact CZ-CD1 4.14Å; F668-L882 HydrophobicContact CZ-CD2 4.06Å; F668-L882 HydrophobicContact CZ-CG 3.8Å
669	R	91.3	Very high	91.9	Very high	157 Å²	157	79.8 Å²	79.8	59%	0.592	39%	0.394	S	S	*	.	H	α-helix	trans	-61.2	-35.4	175.5	-73.5	176.9	177.7	-177.4	-0.6	112	L665 E666 R671	L665-R669 HydrophobicContact CD1-CG 4.49Å; L665-R669 WeakPolarHBondContact O-CB 3.12Å; L665-R669 VanDerWaalsContact O-CG 3.31Å; L665-R669 WeakPolarHBondContact O-CG 3.1Å; L665-R669 PolarHBondContact O-N 3.48Å; E666-R669 PolarHBondContact O-N 2.89Å; R669-R671 PolarHBondContact O-N 2.8Å
670	R	94.1	Very high	91.8	Very high	181 Å²	181	74.8 Å²	74.8	68%	0.683	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.7	175.7	-170	175.9	67	-161.4	-6.5	113.3	E666 F668	E666-R670 WeakPolarHBondContact O-CB 3.47Å; E666-R670 PolarHBondContact O-N 3.14Å; F668-R670 VanDerWaalsContact C-N 3.28Å; F668-R670 PolarHBondContact O-N 3.35Å
671	R	92.9	Very high	91.8	Very high	134 Å²	134	77.6 Å²	77.6	51%	0.506	38%	0.382	S	S	.	.	S	Bend	trans	-87.5	133.4	179.2	-67.7	-179.6	-170.5	-173.9	6.1	110.3	F668 R669 R676	F668-R671 PolarHBondContact O-N 3.36Å; F668-R671 VanDerWaalsContact O-N 3.1Å; R669-R671 PolarHBondContact O-N 2.8Å; R671-R676 HydrophobicContact CB-CB 4.06Å; R671-R676 WeakPolarHBondContact O-CD 3.35Å
672	P	92.3	Very high	91.6	Very high	78 Å²	78	77.2 Å²	77.2	51%	0.506	38%	0.38	S	S	.	.			trans	-66.5	151.5	176.4	27.8	-33.7	0	0	0	110.9	A674 K675 R676	P672-A674 VanDerWaalsContact C-N 3.3Å; P672-A674 PolarHBondContact O-N 3.38Å; P672-A674 VanDerWaalsContact O-N 3.11Å; P672-K675 HydrophobicContact CG-CB 4Å; P672-K675 HydrophobicContact CG-CG 3.86Å; P672-K675 PolarHBondContact O-N 2.96Å; P672-R676 PolarHBondContact O-N 2.94Å
673	P	88.1	Confident	91.3	Very high	78 Å²	78	74.5 Å²	74.5	51%	0.506	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-49.4	-40.4	-173.9	-32.1	36.8	0	0	0	116.1	K675 R676 L880	P673-K675 VanDerWaalsContact C-N 3.26Å; P673-K675 PolarHBondContact O-N 2.97Å; P673-R676 WeakPolarHBondContact O-CG 3.45Å; P673-L880 HydrophobicContact CB-CD2 4.1Å
674	A	89.3	Confident	91	Very high	97 Å²	97	69 Å²	69	80%	0.802	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-77.4	-5	-178.9	0	0	0	0	0	114.6	P672	P672-A674 VanDerWaalsContact C-N 3.3Å; P672-A674 PolarHBondContact O-N 3.38Å; P672-A674 VanDerWaalsContact O-N 3.11Å
675	K	91.9	Very high	90.6	Very high	164 Å²	164	66.3 Å²	66.3	71%	0.713	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-115.4	5.3	179.6	-59.3	-61.1	-177.1	-172.6	0	112.9	P672 P673	P672-K675 HydrophobicContact CG-CB 4Å; P672-K675 HydrophobicContact CG-CG 3.86Å; P672-K675 PolarHBondContact O-N 2.96Å; P673-K675 VanDerWaalsContact C-N 3.26Å; P673-K675 PolarHBondContact O-N 2.97Å
676	R	90.9	Very high	90.2	Very high	37 Å²	37	64.7 Å²	64.7	14%	0.14	31%	0.313	C	S	.	.	S	Bend	trans	-119.9	151	176.1	60.7	-175.7	179.4	76.6	-9.8	110.4	F668 R671 P672 P673 L880	F668-R676 HydrophobicContact CD2-CB 4.21Å; F668-R676 HydrophobicContact CE2-CB 4.02Å; F668-R676 HydrophobicContact CE2-CG 4.1Å; F668-R676 HydrophobicContact CZ-CG 4.38Å; R671-R676 HydrophobicContact CB-CB 4.06Å; R671-R676 WeakPolarHBondContact O-CD 3.35Å; P672-R676 PolarHBondContact O-N 2.94Å; P673-R676 WeakPolarHBondContact O-CG 3.45Å; R676-L880 PolarHBondContact NH1-O 3.33Å; R676-L880 PolarHBondContact NH2-O 2.96Å
677	T	90.7	Very high	89.9	Confident	38 Å²	38	59.1 Å²	59.1	23%	0.233	29%	0.288	C	S	.	.			trans	-66.1	139.8	177.5	-49.7	0	0	0	0	109.9	Y679	T677-Y679 HydrophobicContact CG2-CD1 4.11Å; T677-Y679 HydrophobicContact CG2-CE1 4.1Å
678	N	91.9	Very high	89.8	Confident	34 Å²	34	58.2 Å²	58.2	18%	0.182	28%	0.281	C	S	.	.			trans	-89.6	104.1	167.1	-179	-25.2	0	0	0	107.7	I680 K681 H682 D841 G881	N678-I680 VanDerWaalsContact C-N 3.33Å; N678-I680 PolarHBondContact O-N 2.86Å; N678-I680 WeakPolarHBondContact OD1-CB 3.5Å; N678-I680 PolarHBondContact OD1-N 2.82Å; N678-I680 VanDerWaalsContact OD1-N 3.13Å; N678-K681 HydrophobicContact CB-CB 4.4Å; N678-K681 HydrophobicContact CB-CD 4.43Å; N678-K681 HydrophobicContact CB-CG 4.4Å; N678-K681 PolarHBondContact O-N 3.01Å; N678-K681 PolarHBondContact OD1-N 3.33Å; N678-H682 PolarHBondContact O-CD2 3.03Å; N678-H682 PolarHBondContact O-N 2.85Å; N678-D841 PolarHBondContact ND2-OD2 3.45Å; N678-G881 WeakPolarHBondContact OD1-CA 3.37Å
679	Y	91.9	Very high	89.7	Confident	28 Å²	28	61 Å²	61	11%	0.11	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-26.3	-174.4	-64.8	-64.9	0	0	0	113.1	F668 T677 H682 G683 C684 P687 F688 G881 L882 P945	F668-Y679 AromaticContact CD2-CE2 3.88Å; F668-Y679 HydrophobicContact CD2-CE2 3.88Å; F668-Y679 AromaticContact CE2-CD2 3.85Å; F668-Y679 HydrophobicContact CE2-CD2 3.85Å; F668-Y679 AromaticContact CE2-CE2 3.41Å; F668-Y679 HydrophobicContact CE2-CE2 3.41Å; F668-Y679 VanDerWaalsContact CE2-CE2 3.41Å; F668-Y679 HydrophobicContact CZ-CD2 4.16Å; F668-Y679 HydrophobicContact CZ-CE2 4.14Å; T677-Y679 HydrophobicContact CG2-CD1 4.11Å; T677-Y679 HydrophobicContact CG2-CE1 4.1Å; Y679-H682 CarbonylContact O-C 2.86Å; Y679-H682 PolarHBondContact O-N 2.93Å; Y679-G683 PolarHBondContact O-N 2.93Å; Y679-G683 VanDerWaalsContact O-N 3.07Å; Y679-C684 HydrophobicContact CD1-CB 4.29Å; Y679-C684 PolarHBondContact O-N 2.99Å; Y679-P687 HydrophobicContact CD1-CB 3.84Å; Y679-P687 HydrophobicContact CD1-CG 4.36Å; Y679-P687 HydrophobicContact CD2-CB 3.82Å; Y679-P687 HydrophobicContact CD2-CG 3.56Å; Y679-P687 HydrophobicContact CE1-CB 3.82Å; Y679-P687 HydrophobicContact CE2-CB 3.73Å; Y679-P687 HydrophobicContact CE2-CG 3.8Å; Y679-P687 HydrophobicContact CG-CB 3.83Å; Y679-P687 HydrophobicContact CG-CG 3.82Å; Y679-F688 HydrophobicContact CE2-CE1 4.02Å; Y679-F688 AromaticContact CE2-CZ 3.84Å; Y679-F688 HydrophobicContact CE2-CZ 3.84Å; Y679-G881 PolarHBondContact N-O 3.32Å; Y679-L882 HydrophobicContact CD2-CD2 3.6Å; Y679-L882 HydrophobicContact CE2-CD2 4.22Å; Y679-P945 HydrophobicContact CD1-CB 4.44Å; Y679-P945 HydrophobicContact CE1-CB 4.06Å
680	I	90.2	Very high	89.5	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-52.6	172.2	-61.8	165.2	0	0	0	109.6	N678 H682 G683 H839 D841 Y843 L882 W883	N678-I680 VanDerWaalsContact C-N 3.33Å; N678-I680 PolarHBondContact O-N 2.86Å; N678-I680 WeakPolarHBondContact OD1-CB 3.5Å; N678-I680 PolarHBondContact OD1-N 2.82Å; N678-I680 VanDerWaalsContact OD1-N 3.13Å; I680-H682 PolarHBondContact O-N 2.81Å; I680-G683 PolarHBondContact O-N 3.38Å; I680-H839 VanDerWaalsContact O-CB 3.32Å; I680-H839 WeakPolarHBondContact O-CB 3.19Å; I680-D841 HydrophobicContact CG2-CB 3.95Å; I680-Y843 HydrophobicContact CD1-CD2 4Å; I680-L882 WeakPolarHBondContact CD1-O 3.48Å; I680-W883 HydrophobicContact CB-CZ2 4.23Å; I680-W883 HydrophobicContact CG1-CD2 4.09Å; I680-W883 HydrophobicContact CG1-CG 4.21Å; I680-W883 HydrophobicContact CG1-CZ2 4.38Å; I680-W883 HydrophobicContact CG2-CH2 4.1Å; I680-W883 HydrophobicContact CG2-CZ2 3.7Å
681	K	90	Very high	89.3	Confident	98 Å²	98	45.8 Å²	45.8	43%	0.426	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-32.5	179	-71.7	-171.1	172.4	-161.6	0	113.8	N678 G683 H839 D841	N678-K681 HydrophobicContact CB-CB 4.4Å; N678-K681 HydrophobicContact CB-CD 4.43Å; N678-K681 HydrophobicContact CB-CG 4.4Å; N678-K681 PolarHBondContact O-N 3.01Å; N678-K681 PolarHBondContact OD1-N 3.33Å; K681-G683 PolarHBondContact O-N 3.09Å; K681-H839 PolarHBondContact O-N 3.25Å; K681-D841 HydrophobicContact CG-CB 4.36Å
682	H	88.4	Confident	89.2	Confident	42 Å²	42	39.8 Å²	39.8	19%	0.194	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-2.4	177.1	-79.1	-107.3	0	0	0	113.3	N678 Y679 I680 C684 T946 L948	N678-H682 PolarHBondContact O-CD2 3.03Å; N678-H682 PolarHBondContact O-N 2.85Å; Y679-H682 CarbonylContact O-C 2.86Å; Y679-H682 PolarHBondContact O-N 2.93Å; I680-H682 PolarHBondContact O-N 2.81Å; H682-C684 PolarHBondContact O-N 2.9Å; H682-T946 PolarHBondContact CE1-O 3.22Å; H682-T946 PolarHBondContact ND1-O 3.37Å; H682-L948 HydrophobicContact CB-CD2 4.36Å
683	G	86.6	Confident	89.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	24.1	-178.4	0	0	0	0	0	114	Y679 I680 K681 H839 C894 R943	Y679-G683 PolarHBondContact O-N 2.93Å; Y679-G683 VanDerWaalsContact O-N 3.07Å; I680-G683 PolarHBondContact O-N 3.38Å; K681-G683 PolarHBondContact O-N 3.09Å; G683-H839 VanDerWaalsContact CA-CD2 3.48Å; G683-H839 WeakPolarHBondContact CA-CD2 3.38Å; G683-C894 PolarHBondContact O-SG 2.81Å; G683-R943 VanDerWaalsContact C-NH2 3.33Å; G683-R943 PolarHBondContact O-NH2 3.48Å
684	C	86.3	Confident	89.1	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.191	C	C	.	.			trans	-95.9	110.4	176.9	-175.4	0	0	0	0	109.2	Y679 H682 M813 W883	Y679-C684 HydrophobicContact CD1-CB 4.29Å; Y679-C684 PolarHBondContact O-N 2.99Å; H682-C684 PolarHBondContact O-N 2.9Å; C684-M813 HydrophobicContact CB-CE 4.01Å; C684-W883 VanDerWaalsContact O-CD1 3.25Å; C684-W883 PolarHBondContact O-NE1 3.43Å
685	L	84.6	Confident	89.2	Confident	12 Å²	12	33.1 Å²	33.1	6%	0.063	15%	0.153	C	C	.	.	S	Bend	trans	-71.9	-51.4	-177.2	-65.7	179.4	0	0	0	112.3	P687 W883 P888 V890 H893	L685-P687 WeakPolarHBondContact O-CD 3.38Å; L685-W883 HydrophobicContact CD2-CD2 3.79Å; L685-W883 HydrophobicContact CD2-CE3 4.35Å; L685-W883 HydrophobicContact CD2-CG 4.04Å; L685-W883 HydrophobicContact CD2-CZ2 4.02Å; L685-P888 HydrophobicContact CD1-CG 4.18Å; L685-P888 HydrophobicContact CD2-CG 3.47Å; L685-P888 VanDerWaalsContact CD2-CG 3.47Å; L685-P888 HydrophobicContact CG-CG 4.46Å; L685-V890 HydrophobicContact CD1-CB 4.31Å; L685-V890 HydrophobicContact CD1-CG1 4.26Å; L685-V890 HydrophobicContact CD1-CG2 4.22Å; L685-H893 HydrophobicContact CD1-CB 3.83Å; L685-H893 HydrophobicContact CD2-CB 4.49Å; L685-H893 HydrophobicContact CG-CB 4.37Å
686	A	84.6	Confident	89.1	Confident	6 Å²	6	25.4 Å²	25.4	5%	0.05	12%	0.12	C	C	.	.			trans	-121	85.6	-176.4	0	0	0	0	0	110.9	R689 P691 L887	A686-R689 HydrophobicContact CB-CG 4.04Å; A686-R689 WeakPolarHBondContact CB-O 3.46Å; A686-P691 HydrophobicContact CB-CG 4.06Å; A686-L887 HydrophobicContact CB-CD1 4.03Å
687	P	87.1	Confident	89.1	Confident	14 Å²	14	27.4 Å²	27.4	9%	0.091	13%	0.131	C	C	.	.	S	Bend	trans	-77.3	-19.6	-179.5	29.4	-35.2	0	0	0	113.7	Y679 L685 H811 L882	Y679-P687 HydrophobicContact CD1-CB 3.84Å; Y679-P687 HydrophobicContact CD1-CG 4.36Å; Y679-P687 HydrophobicContact CD2-CB 3.82Å; Y679-P687 HydrophobicContact CD2-CG 3.56Å; Y679-P687 HydrophobicContact CE1-CB 3.82Å; Y679-P687 HydrophobicContact CE2-CB 3.73Å; Y679-P687 HydrophobicContact CE2-CG 3.8Å; Y679-P687 HydrophobicContact CG-CB 3.83Å; Y679-P687 HydrophobicContact CG-CG 3.82Å; L685-P687 WeakPolarHBondContact O-CD 3.38Å; P687-H811 PolarHBondContact O-ND1 2.9Å; P687-L882 HydrophobicContact CG-CD2 3.71Å
688	F	90.4	Very high	89.1	Confident	17 Å²	17	27.1 Å²	27.1	8%	0.075	13%	0.127	C	C	.	.	S	Bend	trans	-112.3	-11.2	-173.1	-51.5	-45.3	0	0	0	114.4	E661 F664 L665 F668 Y679 H811 L882	E661-F688 HydrophobicContact CG-CB 4.06Å; F664-F688 HydrophobicContact CB-CB 4.14Å; F664-F688 HydrophobicContact CB-CD1 3.4Å; F664-F688 HydrophobicContact CB-CE1 4.01Å; F664-F688 HydrophobicContact CB-CG 3.93Å; F664-F688 HydrophobicContact CD2-CD1 4.46Å; F664-F688 HydrophobicContact CG-CD1 4.23Å; L665-F688 HydrophobicContact CD1-CD2 4.47Å; L665-F688 HydrophobicContact CD1-CE2 4.13Å; F668-F688 HydrophobicContact CB-CE1 4.24Å; F668-F688 HydrophobicContact CB-CE2 4.4Å; F668-F688 HydrophobicContact CB-CZ 3.63Å; F668-F688 HydrophobicContact CD1-CZ 4.16Å; F668-F688 HydrophobicContact CD2-CE1 4.44Å; F668-F688 AromaticContact CD2-CZ 3.75Å; F668-F688 HydrophobicContact CD2-CZ 3.75Å; F668-F688 HydrophobicContact CE2-CZ 4.32Å; F668-F688 HydrophobicContact CG-CE2 4.37Å; F668-F688 AromaticContact CG-CZ 3.61Å; F668-F688 HydrophobicContact CG-CZ 3.61Å; Y679-F688 HydrophobicContact CE2-CE1 4.02Å; Y679-F688 AromaticContact CE2-CZ 3.84Å; Y679-F688 HydrophobicContact CE2-CZ 3.84Å; F688-H811 VanDerWaalsContact C-CE1 3.47Å; F688-H811 PolarHBondContact O-CE1 3.1Å; F688-L882 HydrophobicContact CD2-CD2 4.32Å; F688-L882 HydrophobicContact CE2-CD1 3.69Å; F688-L882 HydrophobicContact CE2-CD2 3.47Å; F688-L882 VanDerWaalsContact CE2-CD2 3.47Å; F688-L882 HydrophobicContact CE2-CG 4.24Å; F688-L882 HydrophobicContact CZ-CD1 4.43Å; F688-L882 HydrophobicContact CZ-CD2 3.92Å
689	R	89.3	Confident	89	Confident	66 Å²	66	26 Å²	26	25%	0.249	12%	0.12	C	C	.	.	S	Bend	trans	-142.2	161.8	179.5	68.9	177.9	-178.6	-175.3	-3.1	109.6	E661 A686 D885	E661-R689 WeakPolarHBondContact OE2-CD 3.2Å; A686-R689 HydrophobicContact CB-CG 4.04Å; A686-R689 WeakPolarHBondContact CB-O 3.46Å; R689-D885 IonicContact CZ-OD1 3.45Å; R689-D885 IonicContact NH2-OD1 2.62Å; R689-D885 PolarHBondContact NH2-OD1 2.94Å; R689-D885 IonicContact NH2-OD2 2.87Å; R689-D885 PolarHBondContact NH2-OD2 3.39Å
690	C	88.6	Confident	88.8	Confident	6 Å²	6	26 Å²	26	4%	0.041	12%	0.121	C	C	.	.			trans	-111.1	115	173.6	-60.6	0	0	0	0	108.9	Q657 W692 H811 W901	Q657-C690 VanDerWaalsContact NE2-N 3.16Å; Q657-C690 PolarHBondContact NE2-O 2.81Å; Q657-C690 VanDerWaalsContact NE2-O 3.13Å; C690-W692 VanDerWaalsContact C-N 3.31Å; C690-W692 HydrophobicContact CB-CD2 3.9Å; C690-W692 HydrophobicContact CB-CE3 4.44Å; C690-W692 HydrophobicContact CB-CH2 3.83Å; C690-W692 HydrophobicContact CB-CZ2 3.16Å; C690-W692 HydrophobicContact CB-CZ3 4.42Å; C690-W692 VanDerWaalsContact O-CD1 3.28Å; C690-W692 PolarHBondContact O-N 3.22Å; C690-W692 PolarHBondContact O-NE1 3.08Å; C690-H811 PolarHBondContact SG-CD2 3.25Å; C690-W901 HydrophobicContact CB-CB 4.16Å; C690-W901 HydrophobicContact CB-CD2 4.41Å; C690-W901 HydrophobicContact CB-CE3 4.45Å; C690-W901 HydrophobicContact CB-CG 4.27Å
691	P	90.1	Very high	88.7	Confident	13 Å²	13	31.1 Å²	31.1	8%	0.084	15%	0.148	C	C	.	.			trans	-83.9	71.6	-175.6	33.4	-34	0	0	0	111.2	A686 Q694 L695 L887 V890 W901	A686-P691 HydrophobicContact CB-CG 4.06Å; P691-Q694 HydrophobicContact CB-CB 4.48Å; P691-L695 WeakPolarHBondContact O-CB 3.36Å; P691-L695 PolarHBondContact O-N 3.07Å; P691-L887 HydrophobicContact CB-CD1 4.32Å; P691-L887 HydrophobicContact CG-CD1 4.36Å; P691-V890 HydrophobicContact CG-CG1 4.31Å; P691-V890 HydrophobicContact CG-CG2 4.27Å; P691-W901 HydrophobicContact CG-CH2 3.57Å; P691-W901 HydrophobicContact CG-CZ2 3.7Å; P691-W901 HydrophobicContact CG-CZ3 4.13Å
692	W	89.7	Confident	88.4	Confident	8 Å²	8	30.3 Å²	30.3	3%	0.03	15%	0.148	C	C	.	.	H	α-helix	trans	-64.3	-40	-176.7	-49.5	114.3	0	0	0	113.5	P648 C690 L695 A696 F743 W901 T903 F919	P648-W692 HydrophobicContact CB-CG 4.47Å; C690-W692 VanDerWaalsContact C-N 3.31Å; C690-W692 HydrophobicContact CB-CD2 3.9Å; C690-W692 HydrophobicContact CB-CE3 4.44Å; C690-W692 HydrophobicContact CB-CH2 3.83Å; C690-W692 HydrophobicContact CB-CZ2 3.16Å; C690-W692 HydrophobicContact CB-CZ3 4.42Å; C690-W692 VanDerWaalsContact O-CD1 3.28Å; C690-W692 PolarHBondContact O-N 3.22Å; C690-W692 PolarHBondContact O-NE1 3.08Å; W692-L695 PolarHBondContact O-N 3.12Å; W692-A696 WeakPolarHBondContact O-CB 3.45Å; W692-A696 PolarHBondContact O-N 2.91Å; W692-F743 HydrophobicContact CB-CD1 3.98Å; W692-F743 HydrophobicContact CB-CD2 4.15Å; W692-F743 HydrophobicContact CB-CE1 3.69Å; W692-F743 HydrophobicContact CB-CE2 3.85Å; W692-F743 HydrophobicContact CB-CG 4.22Å; W692-F743 HydrophobicContact CB-CZ 3.63Å; W692-F743 AromaticContact CD1-CZ 3.95Å; W692-F743 HydrophobicContact CG-CE1 4.47Å; W692-F743 HydrophobicContact CG-CE2 4.31Å; W692-F743 HydrophobicContact CG-CZ 4.04Å; W692-W901 AromaticContact CE3-CE3 3.7Å; W692-W901 HydrophobicContact CE3-CE3 3.7Å; W692-W901 HydrophobicContact CE3-CZ3 4.21Å; W692-W901 HydrophobicContact CH2-CB 3.53Å; W692-W901 HydrophobicContact CH2-CE3 4.24Å; W692-W901 WeakPolarHBondContact CH2-O 3.41Å; W692-W901 HydrophobicContact CZ2-CB 4.33Å; W692-W901 HydrophobicContact CZ3-CB 3.9Å; W692-W901 HydrophobicContact CZ3-CD2 4.37Å; W692-W901 AromaticContact CZ3-CE3 3.55Å; W692-W901 HydrophobicContact CZ3-CE3 3.55Å; W692-W901 HydrophobicContact CZ3-CZ3 4.44Å; W692-T903 HydrophobicContact CZ2-CG2 4.09Å; W692-F919 HydrophobicContact CE3-CB 4.16Å; W692-F919 HydrophobicContact CH2-CB 3.63Å; W692-F919 HydrophobicContact CH2-CD2 4.09Å; W692-F919 HydrophobicContact CH2-CG 4.35Å; W692-F919 HydrophobicContact CZ2-CB 4.33Å; W692-F919 HydrophobicContact CZ2-CD2 4.07Å; W692-F919 HydrophobicContact CZ3-CB 3.53Å; W692-F919 WeakPolarHBondContact CZ3-O 3.43Å
693	Q	89.7	Confident	88	Confident	54 Å²	54	30.4 Å²	30.4	25%	0.252	16%	0.156	S	C	.	.	H	α-helix	trans	-61.1	-55.1	-179.2	-176.3	68.1	26.5	0	0	111	L695 A696 E697 P741 F743	Q693-L695 VanDerWaalsContact C-N 3.28Å; Q693-L695 PolarHBondContact O-N 2.99Å; Q693-A696 PolarHBondContact O-N 2.9Å; Q693-A696 VanDerWaalsContact O-N 3.12Å; Q693-E697 WeakPolarHBondContact CG-OE1 3.34Å; Q693-E697 PolarHBondContact NE2-OE1 3.2Å; Q693-E697 WeakPolarHBondContact O-CG 3.41Å; Q693-E697 PolarHBondContact O-N 2.66Å; Q693-P741 PolarHBondContact NE2-O 3.44Å; Q693-F743 HydrophobicContact CB-CD1 4.16Å
694	Q	89.4	Confident	87.4	Confident	57 Å²	57	34.4 Å²	34.4	27%	0.266	18%	0.18	S	C	.	.	H	α-helix	trans	-58.4	-40.5	177.7	-67	179.9	-26	0	0	111.9	P691 E697 E698 V890	P691-Q694 HydrophobicContact CB-CB 4.48Å; Q694-E697 PolarHBondContact O-N 3.34Å; Q694-E698 WeakPolarHBondContact O-CB 3.35Å; Q694-E698 WeakPolarHBondContact O-CG 3.3Å; Q694-E698 PolarHBondContact O-N 3.38Å; Q694-V890 HydrophobicContact CB-CG2 4.38Å
695	L	91.3	Very high	86.2	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-62	-44.7	176.6	-179.3	75.7	0	0	0	112	P691 W692 Q693 W699 T891 L899 W901	P691-L695 WeakPolarHBondContact O-CB 3.36Å; P691-L695 PolarHBondContact O-N 3.07Å; W692-L695 PolarHBondContact O-N 3.12Å; Q693-L695 VanDerWaalsContact C-N 3.28Å; Q693-L695 PolarHBondContact O-N 2.99Å; L695-W699 WeakPolarHBondContact O-CB 3.18Å; L695-W699 VanDerWaalsContact O-CD1 3.26Å; L695-W699 PolarHBondContact O-N 2.93Å; L695-W699 VanDerWaalsContact O-N 3.09Å; L695-T891 HydrophobicContact CD1-CG2 4Å; L695-L899 WeakPolarHBondContact CD2-O 3.06Å; L695-W901 HydrophobicContact CB-CH2 3.93Å; L695-W901 HydrophobicContact CB-CZ3 3.66Å; L695-W901 HydrophobicContact CD1-CH2 3.98Å; L695-W901 HydrophobicContact CD1-CZ3 4.09Å; L695-W901 HydrophobicContact CD2-CE3 4.09Å; L695-W901 HydrophobicContact CD2-CH2 4.17Å; L695-W901 HydrophobicContact CD2-CZ3 3.42Å; L695-W901 VanDerWaalsContact CD2-CZ3 3.42Å; L695-W901 HydrophobicContact CG-CH2 4.23Å; L695-W901 HydrophobicContact CG-CZ3 3.89Å
696	A	90.1	Very high	84.6	Confident	3 Å²	3	41.2 Å²	41.2	3%	0.025	23%	0.227	C	C	.	.	H	α-helix	trans	-65.7	-41.9	-179	0	0	0	0	0	111.4	W692 Q693 E700 F743 M793	W692-A696 WeakPolarHBondContact O-CB 3.45Å; W692-A696 PolarHBondContact O-N 2.91Å; Q693-A696 PolarHBondContact O-N 2.9Å; Q693-A696 VanDerWaalsContact O-N 3.12Å; A696-E700 PolarHBondContact O-N 3.23Å; A696-E700 VanDerWaalsContact O-N 3.11Å; A696-F743 HydrophobicContact CB-CB 3.86Å; A696-M793 HydrophobicContact CB-CB 4.21Å; A696-M793 HydrophobicContact CB-CE 4.46Å
697	E	90.3	Very high	82.5	Confident	78 Å²	78	43.8 Å²	43.8	36%	0.364	26%	0.255	S	S	.	.	H	α-helix	trans	-62.3	-51	175.7	-69.2	168.2	-178.8	0	0	111.6	Q693 Q694 W699 E700 L701 M793	Q693-E697 WeakPolarHBondContact CG-OE1 3.34Å; Q693-E697 PolarHBondContact NE2-OE1 3.2Å; Q693-E697 WeakPolarHBondContact O-CG 3.41Å; Q693-E697 PolarHBondContact O-N 2.66Å; Q694-E697 PolarHBondContact O-N 3.34Å; E697-W699 VanDerWaalsContact C-N 3.32Å; E697-W699 PolarHBondContact O-N 2.89Å; E697-E700 PolarHBondContact O-N 3.32Å; E697-L701 WeakPolarHBondContact O-CG 3.41Å; E697-L701 PolarHBondContact O-N 2.79Å; E697-L701 VanDerWaalsContact O-N 3.08Å; E697-M793 HydrophobicContact CG-CE 3.57Å
698	E	90.8	Very high	80	Confident	32 Å²	32	47 Å²	47	15%	0.15	28%	0.282	C	S	.	.	H	α-helix	trans	-61.1	-39.3	-179.9	-74.8	-179.1	-147.8	0	0	112.5	Q694 L701 L702 S889 V890 T891	Q694-E698 WeakPolarHBondContact O-CB 3.35Å; Q694-E698 WeakPolarHBondContact O-CG 3.3Å; Q694-E698 PolarHBondContact O-N 3.38Å; E698-L701 PolarHBondContact O-N 3.2Å; E698-L702 WeakPolarHBondContact O-CG 3.36Å; E698-L702 PolarHBondContact O-N 3.24Å; E698-S889 VanDerWaalsContact OE1-CA 3.28Å; E698-S889 WeakPolarHBondContact OE1-CA 3.29Å; E698-S889 PolarHBondContact OE2-OG 3.34Å; E698-V890 VanDerWaalsContact CD-N 3.34Å; E698-V890 PolarHBondContact OE1-N 2.96Å; E698-V890 PolarHBondContact OE2-N 2.97Å; E698-T891 HydrophobicContact CB-CG2 3.87Å; E698-T891 WeakPolarHBondContact OE2-CB 3.49Å; E698-T891 WeakPolarHBondContact OE2-CG2 3.41Å; E698-T891 PolarHBondContact OE2-N 3.4Å; E698-T891 PolarHBondContact OE2-OG1 3Å
699	W	90	Very high	77.4	Confident	10 Å²	10	54.5 Å²	54.5	4%	0.038	32%	0.317	C	S	.	.	H	α-helix	trans	-72	-30.2	178	-87.6	106.3	0	0	0	113.4	L695 E697 L702 A703 T891 V897 T898 L899 G924 H927	L695-W699 WeakPolarHBondContact O-CB 3.18Å; L695-W699 VanDerWaalsContact O-CD1 3.26Å; L695-W699 PolarHBondContact O-N 2.93Å; L695-W699 VanDerWaalsContact O-N 3.09Å; E697-W699 VanDerWaalsContact C-N 3.32Å; E697-W699 PolarHBondContact O-N 2.89Å; W699-L702 HydrophobicContact CE3-CB 4.41Å; W699-L702 HydrophobicContact CE3-CD1 4.23Å; W699-L702 HydrophobicContact CZ3-CD1 4.42Å; W699-A703 VanDerWaalsContact O-CB 3.25Å; W699-A703 WeakPolarHBondContact O-CB 3.37Å; W699-A703 PolarHBondContact O-N 3.23Å; W699-T891 HydrophobicContact CG-CG2 4.38Å; W699-V897 HydrophobicContact CH2-CG1 3.69Å; W699-V897 HydrophobicContact CZ2-CB 4.47Å; W699-V897 HydrophobicContact CZ2-CG1 3.41Å; W699-V897 VanDerWaalsContact CZ2-CG1 3.41Å; W699-T898 PolarHBondContact NE1-O 3.45Å; W699-L899 HydrophobicContact CH2-CD2 3.93Å; W699-L899 HydrophobicContact CZ2-CD2 3.46Å; W699-L899 VanDerWaalsContact CZ2-CD2 3.46Å; W699-L899 HydrophobicContact CZ2-CG 4.47Å; W699-G924 VanDerWaalsContact CE3-CA 3.49Å; W699-H927 HydrophobicContact CZ3-CB 4.29Å; W699-H927 AromaticContact CZ3-ND1 3.98Å
700	E	87.8	Confident	74.9	Confident	28 Å²	28	60.6 Å²	60.6	13%	0.131	34%	0.34	C	S	.	.	H	α-helix	trans	-68	-39.9	173.4	-168.7	70.5	-151.5	0	0	110.6	A696 E697 A703 T704 H788 M793	A696-E700 PolarHBondContact O-N 3.23Å; A696-E700 VanDerWaalsContact O-N 3.11Å; E697-E700 PolarHBondContact O-N 3.32Å; E700-A703 PolarHBondContact O-N 3.26Å; E700-T704 WeakPolarHBondContact O-CG2 3.47Å; E700-T704 PolarHBondContact O-N 3.45Å; E700-T704 PolarHBondContact O-OG1 2.95Å; E700-H788 IonicContact OE1-CE1 3.36Å; E700-H788 PolarHBondContact OE1-CE1 3.36Å; E700-H788 IonicContact OE2-CE1 3.4Å; E700-H788 IonicContact OE2-NE2 3.78Å; E700-M793 PolarHBondContact OE2-N 3.07Å
701	L	87.3	Confident	72.3	Confident	108 Å²	108	70 Å²	70	57%	0.565	38%	0.38	S	S	*	.	H	α-helix	trans	-61.9	-48.3	172.9	-67.3	172.7	0	0	0	111.5	E697 E698 A703 T704 D705	E697-L701 WeakPolarHBondContact O-CG 3.41Å; E697-L701 PolarHBondContact O-N 2.79Å; E697-L701 VanDerWaalsContact O-N 3.08Å; E698-L701 PolarHBondContact O-N 3.2Å; L701-A703 VanDerWaalsContact C-N 3.29Å; L701-A703 PolarHBondContact O-N 3.48Å; L701-T704 WeakPolarHBondContact CA-OG1 3.26Å; L701-T704 PolarHBondContact O-N 3.25Å; L701-T704 PolarHBondContact O-OG1 2.83Å; L701-D705 PolarHBondContact O-N 2.89Å
702	L	84.9	Confident	69.3	Low	82 Å²	82	72.9 Å²	72.9	43%	0.429	41%	0.412	S	S	.	.	H	α-helix	trans	-63.7	-34	177.8	-69.5	173	0	0	0	113.1	E698 W699 T704 G706 T891	E698-L702 WeakPolarHBondContact O-CG 3.36Å; E698-L702 PolarHBondContact O-N 3.24Å; W699-L702 HydrophobicContact CE3-CB 4.41Å; W699-L702 HydrophobicContact CE3-CD1 4.23Å; W699-L702 HydrophobicContact CZ3-CD1 4.42Å; L702-T704 VanDerWaalsContact C-N 3.35Å; L702-G706 PolarHBondContact O-N 2.73Å; L702-G706 VanDerWaalsContact O-N 3.12Å; L702-T891 HydrophobicContact CD1-CG2 4.39Å
703	A	79.4	Confident	66.4	Low	44 Å²	44	81.2 Å²	81.2	36%	0.364	46%	0.457	S	S	.	.	H	α-helix	trans	-72.1	-30	177.9	0	0	0	0	0	112.6	W699 E700 L701	W699-A703 VanDerWaalsContact O-CB 3.25Å; W699-A703 WeakPolarHBondContact O-CB 3.37Å; W699-A703 PolarHBondContact O-N 3.23Å; E700-A703 PolarHBondContact O-N 3.26Å; L701-A703 VanDerWaalsContact C-N 3.29Å; L701-A703 PolarHBondContact O-N 3.48Å
704	T	73.6	Confident	63.5	Low	84 Å²	84	81.9 Å²	81.9	52%	0.515	48%	0.479	S	S	.	.	H	α-helix	trans	-81.4	-41.9	177.5	43.8	0	0	0	0	111.9	E700 L701 L702 G707	E700-T704 WeakPolarHBondContact O-CG2 3.47Å; E700-T704 PolarHBondContact O-N 3.45Å; E700-T704 PolarHBondContact O-OG1 2.95Å; L701-T704 WeakPolarHBondContact CA-OG1 3.26Å; L701-T704 PolarHBondContact O-N 3.25Å; L701-T704 PolarHBondContact O-OG1 2.83Å; L702-T704 VanDerWaalsContact C-N 3.35Å; T704-G707 PolarHBondContact O-N 2.83Å
705	D	61.6	Low	60.6	Low	110 Å²	110	88.7 Å²	88.7	59%	0.588	51%	0.511	S	S	*	.	H	α-helix	trans	-70.6	-32.8	178	-76.9	-16.2	0	0	0	113.3	L701 G707 A708	L701-D705 PolarHBondContact O-N 2.89Å; D705-G707 PolarHBondContact O-N 3.03Å; D705-A708 PolarHBondContact O-N 3.07Å
706	G	50.6	Low	57.6	Low	44 Å²	44	95 Å²	95	45%	0.454	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-10.6	178.1	0	0	0	0	0	115.2	L702	L702-G706 PolarHBondContact O-N 2.73Å; L702-G706 VanDerWaalsContact O-N 3.12Å
707	G	40.6	Very low	54.6	Low	61 Å²	61	103.4 Å²	103.4	63%	0.629	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-22.7	171	0	0	0	0	0	114	T704 D705	T704-G707 PolarHBondContact O-N 2.83Å; D705-G707 PolarHBondContact O-N 3.03Å
708	A	34.4	Very low	51.5	Low	80 Å²	80	109.5 Å²	109.5	66%	0.661	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-24	-175.7	0	0	0	0	0	113.8	D705 R710	D705-A708 PolarHBondContact O-N 3.07Å; A708-R710 VanDerWaalsContact C-N 3.29Å; A708-R710 PolarHBondContact O-N 3.5Å
709	E	36	Very low	48.7	Very low	176 Å²	176	112.9 Å²	112.9	82%	0.822	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-0.3	-177.6	-68.8	-166.3	152.8	0	0	115	K711	E709-K711 VanDerWaalsContact C-N 3.26Å; E709-K711 PolarHBondContact O-N 3.41Å
710	R	37.9	Very low	45.9	Very low	194 Å²	194	123.3 Å²	123.3	73%	0.732	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	9.3	177.5	-77.2	-171.9	-176.3	168.5	4.7	114.8	A708 D781	A708-R710 VanDerWaalsContact C-N 3.29Å; A708-R710 PolarHBondContact O-N 3.5Å; R710-D781 IonicContact CZ-OD2 3.99Å; R710-D781 IonicContact NH1-OD2 2.61Å; R710-D781 PolarHBondContact NH1-OD2 3.28Å; R710-D781 IonicContact NH2-OD2 3.92Å; R710-D781 PolarHBondContact NH2-OD2 2.84Å
711	K	32.2	Very low	43	Very low	203 Å²	203	131.5 Å²	131.5	88%	0.883	72%	0.722	S	S	*	*	S	Bend	trans	-132.2	95.7	170.6	-80.4	-172.9	176.3	-179.2	0	111.1	E709	E709-K711 VanDerWaalsContact C-N 3.26Å; E709-K711 PolarHBondContact O-N 3.41Å
712	G	28.2	Very low	40	Very low	73 Å²	73	132.1 Å²	132.1	75%	0.753	74%	0.735	S	S	*	*			trans	145.5	76.6	162.9	0	0	0	0	0	114.2	G714	G712-G714 PolarHBondContact O-N 2.89Å
713	D	29	Very low	37.3	Very low	183 Å²	183	137 Å²	137	98%	0.979	76%	0.756	S	S	*	*			trans	-73.5	117.8	157.6	-83.2	-34.8	0	0	0	108.6
714	G	28.3	Very low	34.8	Very low	69 Å²	69	142.9 Å²	142.9	71%	0.711	78%	0.775	S	S	*	*			trans	166.8	100.4	173.6	0	0	0	0	0	114.8	G712	G712-G714 PolarHBondContact O-N 2.89Å
715	Q	27.6	Very low	32.5	Very low	199 Å²	199	144.9 Å²	144.9	93%	0.93	79%	0.787	S	S	*	*			trans	91.2	112.9	160	-64.2	-178.3	-8.5	0	0	119.8
716	T	28.3	Very low	30.9	Very low	134 Å²	134	147.9 Å²	147.9	82%	0.822	80%	0.8	S	S	*	*			trans	-54.9	150.3	160.6	-38.1	0	0	0	0	112.4
717	Q	28.4	Very low	29.8	Very low	180 Å²	180	154.4 Å²	154.4	84%	0.841	82%	0.819	S	S	*	*			trans	94.7	88.9	168.2	-54.8	-170.7	-4.9	0	0	117.8
718	K	24.3	Very low	29	Very low	205 Å²	205	160 Å²	160	89%	0.891	83%	0.828	S	S	*	*			trans	-168.3	79.2	132	-112.2	172.5	-177.6	173.6	0	112	R720	K718-R720 PolarHBondContact O-N 3.41Å
719	A	33.5	Very low	28.7	Very low	103 Å²	103	162.3 Å²	162.3	85%	0.851	83%	0.834	S	S	*	*			trans	-88.5	87.6	159.7	0	0	0	0	0	108.6
720	R	31.1	Very low	28.3	Very low	230 Å²	230	160.1 Å²	160.1	87%	0.868	83%	0.833	S	S	*	*	S	Bend	trans	164.7	130	158.3	-97.9	166.3	175.7	177.7	-1.1	108.5	K718	K718-R720 PolarHBondContact O-N 3.41Å
721	K	26.2	Very low	28	Very low	199 Å²	199	155 Å²	155	87%	0.865	83%	0.827	S	S	*	*			trans	94.9	72.8	-175.9	-59.2	-172.9	173.6	-166.7	0	115.1
722	S	23.3	Very low	27.9	Very low	122 Å²	122	154.3 Å²	154.3	85%	0.853	83%	0.827	S	S	*	*			trans	-133.2	36.3	160	64	0	0	0	0	110.2
723	H	29.9	Very low	27.9	Very low	185 Å²	185	159.7 Å²	159.7	86%	0.856	83%	0.832	S	S	*	*	S	Bend	trans	-123.7	9.8	-174.2	-136.9	-64.7	0	0	0	114
724	E	25.2	Very low	27.8	Very low	166 Å²	166	158.2 Å²	158.2	78%	0.776	83%	0.83	S	S	*	*	S	Bend	trans	-132.2	2	-177.4	-86	174.5	165.5	0	0	114.7
725	V	26.6	Very low	27.8	Very low	127 Å²	127	160.9 Å²	160.9	77%	0.77	83%	0.832	S	S	*	*	S	Bend	trans	-108	0.8	-176	-171.9	0	0	0	0	113.2
726	M	27.3	Very low	27.6	Very low	173 Å²	173	155.9 Å²	155.9	85%	0.852	83%	0.825	S	S	*	*	S	Bend	trans	-105.8	9.3	179.5	-135.5	175.5	85.5	0	0	114.2
727	E	27.3	Very low	28	Very low	181 Å²	181	154.6 Å²	154.6	85%	0.846	83%	0.828	S	S	*	*	S	Bend	trans	-94	-11.5	173.7	-82.1	-166.7	159.3	0	0	113.9
728	E	24.7	Very low	27.9	Very low	177 Å²	177	150.5 Å²	150.5	83%	0.827	83%	0.825	S	S	*	*	S	Bend	trans	-102.3	0.6	-175.7	-84	-169	156.8	0	0	116.5
729	V	28.2	Very low	28.6	Very low	129 Å²	129	146 Å²	146	78%	0.782	82%	0.819	S	S	*	*	S	Bend	trans	-104.6	9.9	-179.2	-163.3	0	0	0	0	113.4
730	T	27.3	Very low	29.3	Very low	130 Å²	130	146 Å²	146	80%	0.798	81%	0.811	S	S	*	*	S	Bend	trans	-104	21.2	-180	-31.4	0	0	0	0	113.8
731	S	31.2	Very low	30.7	Very low	88 Å²	88	139.3 Å²	139.3	62%	0.615	80%	0.797	S	S	*	*	S	Bend	trans	-126.5	123	169.8	46.4	0	0	0	0	109.7
732	Q	31.1	Very low	33.1	Very low	187 Å²	187	132.7 Å²	132.7	87%	0.874	78%	0.776	S	S	*	*			trans	88.4	88.6	173.3	-50.5	179.3	0.7	0	0	116.7
733	Q	27.2	Very low	36.2	Very low	187 Å²	187	128 Å²	128	87%	0.874	74%	0.74	S	S	*	*				-159.8	95.1	125.2	-107	171.2	30.8	0	0	110.1	V735	Q733-V735 PolarHBondContact O-N 2.82Å
734	T	27.6	Very low	39.1	Very low	151 Å²	151	120.3 Å²	120.3	93%	0.926	71%	0.706	S	S	*	*			trans	-73.4	101.2	159	24.7	0	0	0	0	108.5
735	V	26.7	Very low	42.2	Very low	125 Å²	125	113 Å²	113	76%	0.758	67%	0.673	S	S	*	*			trans	-131.8	135.7	162.2	-172.9	0	0	0	0	108.2	Q733	Q733-V735 PolarHBondContact O-N 2.82Å
736	A	24.7	Very low	45.3	Very low	95 Å²	95	107.6 Å²	107.6	79%	0.785	64%	0.64	S	S	*	*			trans	-63.3	140	-165.9	0	0	0	0	0	115.6
737	A	35.4	Very low	48.3	Very low	106 Å²	106	101 Å²	101	88%	0.876	61%	0.605	S	S	*	*			trans	45.1	80.8	145.3	0	0	0	0	0	119.5
738	A	26.6	Very low	51.3	Low	95 Å²	95	93.1 Å²	93.1	79%	0.785	57%	0.569	S	S	*	*			trans	-146.6	132	142.7	0	0	0	0	0	108.5
739	S	38.6	Very low	54.2	Low	110 Å²	110	89.5 Å²	89.5	77%	0.769	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-57.7	139.4	173.8	49.7	0	0	0	0	110.2
740	P	49.6	Very low	57.2	Low	104 Å²	104	91.2 Å²	91.2	68%	0.675	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-56.8	142.5	178.8	23.4	-32.8	0	0	0	110.6	S742	P740-S742 PolarHBondContact O-N 2.99Å
741	P	60.8	Low	60.1	Low	89 Å²	89	85.7 Å²	85.7	58%	0.578	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-62.3	119.2	-177.3	24.2	-32.4	0	0	0	110.7	Q693 M793	Q693-P741 PolarHBondContact NE2-O 3.44Å; P741-M793 HydrophobicContact CB-SD 4.02Å; P741-M793 HydrophobicContact CG-CE 4.49Å; P741-M793 HydrophobicContact CG-SD 3.89Å; P741-M793 WeakPolarHBondContact O-CE 3.43Å
742	S	76.8	Confident	63	Low	59 Å²	59	82.6 Å²	82.6	41%	0.413	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-75.7	146.5	175.3	56.1	0	0	0	0	110.9	P740	P740-S742 PolarHBondContact O-N 2.99Å
743	F	88.2	Confident	65.7	Low	25 Å²	25	80.6 Å²	80.6	11%	0.11	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-64	148.4	173.6	77.1	-86.9	0	0	0	111.1	P648 D649 W692 Q693 A696 V745 M793 V795	P648-F743 HydrophobicContact CB-CE2 4.47Å; P648-F743 HydrophobicContact CB-CZ 4.1Å; P648-F743 HydrophobicContact CG-CE2 4.24Å; P648-F743 HydrophobicContact CG-CZ 4.38Å; D649-F743 HydrophobicContact CB-CE2 4.04Å; D649-F743 HydrophobicContact CB-CZ 4.28Å; W692-F743 HydrophobicContact CB-CD1 3.98Å; W692-F743 HydrophobicContact CB-CD2 4.15Å; W692-F743 HydrophobicContact CB-CE1 3.69Å; W692-F743 HydrophobicContact CB-CE2 3.85Å; W692-F743 HydrophobicContact CB-CG 4.22Å; W692-F743 HydrophobicContact CB-CZ 3.63Å; W692-F743 AromaticContact CD1-CZ 3.95Å; W692-F743 HydrophobicContact CG-CE1 4.47Å; W692-F743 HydrophobicContact CG-CE2 4.31Å; W692-F743 HydrophobicContact CG-CZ 4.04Å; Q693-F743 HydrophobicContact CB-CD1 4.16Å; A696-F743 HydrophobicContact CB-CB 3.86Å; F743-V745 HydrophobicContact CE2-CG2 4.36Å; F743-M793 WeakPolarHBondContact CA-O 3.16Å; F743-V795 HydrophobicContact CD2-CG2 3.79Å; F743-V795 HydrophobicContact CG-CG2 4.49Å
744	T	90.1	Very high	68.7	Low	23 Å²	23	74 Å²	74	14%	0.141	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	145	-179.4	55.1	0	0	0	0	111.5	M793 S794 V795	T744-M793 PolarHBondContact N-O 2.99Å; T744-S794 CarbonylContact O-C 3.52Å; T744-S794 VanDerWaalsContact O-CA 3.26Å; T744-S794 WeakPolarHBondContact O-CA 3.1Å; T744-S794 PolarHBondContact OG1-OG 3.24Å; T744-S794 VanDerWaalsContact OG1-OG 3.08Å; T744-V795 PolarHBondContact O-N 3.22Å
745	V	91.1	Very high	71.6	Confident	13 Å²	13	66.8 Å²	66.8	8%	0.079	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	121	169.5	177.3	0	0	0	0	109.7	P648 D649 F743 R747 V795 F919	P648-V745 HydrophobicContact CG-CG2 4.34Å; D649-V745 HydrophobicContact CB-CG2 4.08Å; D649-V745 VanDerWaalsContact OD2-CB 3.25Å; D649-V745 WeakPolarHBondContact OD2-CB 3.14Å; D649-V745 VanDerWaalsContact OD2-CG2 3.3Å; D649-V745 WeakPolarHBondContact OD2-CG2 3.42Å; D649-V745 PolarHBondContact OD2-N 2.99Å; F743-V745 HydrophobicContact CE2-CG2 4.36Å; V745-R747 HydrophobicContact CG1-CG 4.46Å; V745-R747 PolarHBondContact O-N 2.77Å; V745-R747 PolarHBondContact O-NH1 2.86Å; V745-R747 VanDerWaalsContact O-NH1 3.12Å; V745-V795 CarbonylContact C-O 3.54Å; V745-V795 WeakPolarHBondContact CA-O 3.48Å; V745-F919 HydrophobicContact CG1-CD1 4.43Å; V745-F919 HydrophobicContact CG1-CE1 3.86Å; V745-F919 HydrophobicContact CG2-CD1 4.48Å; V745-F919 HydrophobicContact CG2-CE1 4.11Å
746	L	91.1	Very high	74.5	Confident	13 Å²	13	61.1 Å²	61.1	7%	0.068	36%	0.364	C	S	.	.			trans	-68	112.9	-179.4	179.1	62.7	0	0	0	110.7	N748 L752 L755 F787 H791 V795 V796 V922	L746-N748 HydrophobicContact CD1-CB 4.15Å; L746-L752 HydrophobicContact CD2-CD2 4.13Å; L746-L752 HydrophobicContact CG-CD2 4.14Å; L746-L752 HydrophobicContact CG-CG 4.38Å; L746-L755 HydrophobicContact CD2-CD1 3.62Å; L746-F787 HydrophobicContact CD2-CE1 4.33Å; L746-F787 HydrophobicContact CD2-CZ 3.98Å; L746-H791 WeakPolarHBondContact CD1-ND1 3.36Å; L746-V795 PolarHBondContact N-O 2.97Å; L746-V796 HydrophobicContact CB-CG2 3.76Å; L746-V796 HydrophobicContact CD2-CG2 3.74Å; L746-V796 HydrophobicContact CG-CG2 4.26Å; L746-V922 HydrophobicContact CD2-CG2 4.37Å
747	R	89.3	Confident	77.5	Confident	35 Å²	35	58.6 Å²	58.6	13%	0.132	34%	0.341	C	S	.	.			trans	-115.7	-3.6	179.9	-67.4	174.9	-174.3	92.4	-7.4	114	A261 Y282 D649 V745 R749	A261-R747 HydrophobicContact CB-CB 4.46Å; Y282-R747 WeakPolarHBondContact OH-CD 3.41Å; D649-R747 IonicContact OD1-CZ 3.75Å; D649-R747 IonicContact OD1-NH2 2.94Å; D649-R747 PolarHBondContact OD1-NH2 2.86Å; D649-R747 IonicContact OD2-CZ 3.77Å; D649-R747 IonicContact OD2-NH1 3.34Å; D649-R747 PolarHBondContact OD2-NH1 3.38Å; D649-R747 IonicContact OD2-NH2 3.4Å; D649-R747 PolarHBondContact OD2-NH2 2.98Å; V745-R747 HydrophobicContact CG1-CG 4.46Å; V745-R747 PolarHBondContact O-N 2.77Å; V745-R747 PolarHBondContact O-NH1 2.86Å; V745-R747 VanDerWaalsContact O-NH1 3.12Å; R747-R749 PolarHBondContact O-N 3.46Å
748	N	90.2	Very high	79.9	Confident	14 Å²	14	53.9 Å²	53.9	8%	0.075	30%	0.3	C	S	.	.			trans	-66	117.3	179.4	-178	-31.6	0	0	0	110.5	E260 L746 K750 S751 L752	E260-N748 PolarHBondContact OE2-ND2 3.11Å; L746-N748 HydrophobicContact CD1-CB 4.15Å; N748-K750 VanDerWaalsContact C-N 3.33Å; N748-K750 PolarHBondContact O-N 3.47Å; N748-K750 WeakPolarHBondContact OD1-CB 3.24Å; N748-K750 PolarHBondContact OD1-N 3.48Å; N748-S751 PolarHBondContact O-N 3.22Å; N748-S751 PolarHBondContact OD1-N 3.12Å; N748-L752 WeakPolarHBondContact O-CB 3.34Å; N748-L752 VanDerWaalsContact O-CG 3.26Å; N748-L752 WeakPolarHBondContact O-CG 3.37Å; N748-L752 PolarHBondContact O-N 2.99Å
749	R	87.5	Confident	82.7	Confident	101 Å²	101	49.5 Å²	49.5	38%	0.381	26%	0.264	S	S	.	.	H	α-helix	trans	-66.4	-30.8	-174.3	-65.7	-175.9	-179.4	-163.2	-6.3	113.5	E260 A261 R747 R753 V959	E260-R749 PolarHBondContact O-N 3.45Å; A261-R749 PolarHBondContact O-NE 3.3Å; R747-R749 PolarHBondContact O-N 3.46Å; R749-R753 WeakPolarHBondContact O-CB 3.48Å; R749-R753 VanDerWaalsContact O-CG 3.23Å; R749-R753 WeakPolarHBondContact O-CG 3.23Å; R749-R753 PolarHBondContact O-N 2.95Å; R749-V959 HydrophobicContact CB-CG1 4.28Å; R749-V959 HydrophobicContact CG-CG1 4.45Å
750	K	89.3	Confident	84.7	Confident	165 Å²	165	50 Å²	50	72%	0.717	25%	0.249	S	C	*	.	H	α-helix	trans	-67.9	-48.5	177.7	-65.7	-179.8	-179.5	176.1	0	109.9	N748 L752 R753 L754	N748-K750 VanDerWaalsContact C-N 3.33Å; N748-K750 PolarHBondContact O-N 3.47Å; N748-K750 WeakPolarHBondContact OD1-CB 3.24Å; N748-K750 PolarHBondContact OD1-N 3.48Å; K750-L752 PolarHBondContact O-N 3.07Å; K750-R753 PolarHBondContact O-N 3.32Å; K750-L754 PolarHBondContact O-N 3.49Å; K750-L754 VanDerWaalsContact O-N 3.11Å
751	S	90.1	Very high	85.5	Confident	14 Å²	14	46.1 Å²	46.1	10%	0.098	22%	0.224	C	C	.	.	H	α-helix	trans	-61.7	-43.2	176.7	-54.6	0	0	0	0	112.1	N748 R753 L754 L755 H791	N748-S751 PolarHBondContact O-N 3.22Å; N748-S751 PolarHBondContact OD1-N 3.12Å; S751-R753 PolarHBondContact O-N 3.24Å; S751-L754 WeakPolarHBondContact O-CB 3.4Å; S751-L754 PolarHBondContact O-N 2.84Å; S751-L755 WeakPolarHBondContact O-CG 3.21Å; S751-L755 PolarHBondContact O-N 2.96Å; S751-H791 PolarHBondContact OG-NE2 3.2Å
752	L	90.1	Very high	85.2	Confident	24 Å²	24	48.3 Å²	48.3	13%	0.126	23%	0.23	C	C	.	.	H	α-helix	trans	-65.8	-37.8	178	-70.2	172.5	0	0	0	112.5	L746 N748 K750 L754 L755 S756 V796 I957 V959	L746-L752 HydrophobicContact CD2-CD2 4.13Å; L746-L752 HydrophobicContact CG-CD2 4.14Å; L746-L752 HydrophobicContact CG-CG 4.38Å; N748-L752 WeakPolarHBondContact O-CB 3.34Å; N748-L752 VanDerWaalsContact O-CG 3.26Å; N748-L752 WeakPolarHBondContact O-CG 3.37Å; N748-L752 PolarHBondContact O-N 2.99Å; K750-L752 PolarHBondContact O-N 3.07Å; L752-L754 VanDerWaalsContact C-N 3.33Å; L752-L755 PolarHBondContact O-N 2.7Å; L752-S756 VanDerWaalsContact O-CB 3.3Å; L752-S756 WeakPolarHBondContact O-CB 3.39Å; L752-S756 PolarHBondContact O-N 2.89Å; L752-V796 HydrophobicContact CD2-CG1 3.86Å; L752-V796 HydrophobicContact CD2-CG2 4.16Å; L752-I957 HydrophobicContact CD2-CG2 4.29Å; L752-V959 HydrophobicContact CB-CB 4.31Å; L752-V959 HydrophobicContact CB-CG1 3.81Å; L752-V959 HydrophobicContact CB-CG2 3.48Å; L752-V959 VanDerWaalsContact CB-CG2 3.48Å; L752-V959 HydrophobicContact CD1-CG1 4.43Å
753	R	88.8	Confident	83.8	Confident	145 Å²	145	49.4 Å²	49.4	55%	0.547	23%	0.234	S	C	.	.	H	α-helix	trans	-63.7	-40	174	-76.3	172.2	-169.5	156.4	1.2	111.8	R749 K750 S751 S756 S757 V959	R749-R753 WeakPolarHBondContact O-CB 3.48Å; R749-R753 VanDerWaalsContact O-CG 3.23Å; R749-R753 WeakPolarHBondContact O-CG 3.23Å; R749-R753 PolarHBondContact O-N 2.95Å; K750-R753 PolarHBondContact O-N 3.32Å; S751-R753 PolarHBondContact O-N 3.24Å; R753-S756 PolarHBondContact O-N 3.49Å; R753-S757 PolarHBondContact O-N 3.14Å; R753-V959 HydrophobicContact CG-CB 4.22Å; R753-V959 HydrophobicContact CG-CG1 3.98Å
754	L	89.3	Confident	81.6	Confident	47 Å²	47	51 Å²	51	25%	0.246	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-50.4	175.1	-176.3	63.8	0	0	0	110.8	K750 S751 L752 S756 S757 W758 F787	K750-L754 PolarHBondContact O-N 3.49Å; K750-L754 VanDerWaalsContact O-N 3.11Å; S751-L754 WeakPolarHBondContact O-CB 3.4Å; S751-L754 PolarHBondContact O-N 2.84Å; L752-L754 VanDerWaalsContact C-N 3.33Å; L754-S756 VanDerWaalsContact C-N 3.34Å; L754-S756 PolarHBondContact O-N 3.06Å; L754-S757 WeakPolarHBondContact O-CB 3.39Å; L754-S757 PolarHBondContact O-N 3Å; L754-S757 VanDerWaalsContact O-N 3.11Å; L754-S757 PolarHBondContact O-OG 3.34Å; L754-W758 HydrophobicContact CD1-CH2 4.43Å; L754-W758 HydrophobicContact CD1-CZ2 3.67Å; L754-W758 HydrophobicContact CD2-CH2 3.6Å; L754-W758 HydrophobicContact CD2-CZ2 3.63Å; L754-W758 HydrophobicContact CD2-CZ3 4.36Å; L754-W758 HydrophobicContact CG-CD2 4.3Å; L754-W758 HydrophobicContact CG-CH2 3.8Å; L754-W758 HydrophobicContact CG-CZ2 3.53Å; L754-W758 HydrophobicContact CG-CZ3 4.28Å; L754-W758 PolarHBondContact O-N 3.06Å; L754-W758 VanDerWaalsContact O-N 3.16Å; L754-F787 HydrophobicContact CD2-CD2 3.98Å; L754-F787 HydrophobicContact CD2-CE2 4.18Å
755	L	89.3	Confident	79	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.8	-44.8	174.8	-72.6	174.7	0	0	0	112.3	L746 S751 L752 S757 W758 C759 F787 V796 L926 I957	L746-L755 HydrophobicContact CD2-CD1 3.62Å; S751-L755 WeakPolarHBondContact O-CG 3.21Å; S751-L755 PolarHBondContact O-N 2.96Å; L752-L755 PolarHBondContact O-N 2.7Å; L755-S757 VanDerWaalsContact C-N 3.26Å; L755-S757 PolarHBondContact O-N 3.3Å; L755-W758 HydrophobicContact CD2-CE3 3.91Å; L755-W758 HydrophobicContact CD2-CZ3 4.05Å; L755-W758 PolarHBondContact O-N 3.07Å; L755-W758 VanDerWaalsContact O-N 3.11Å; L755-C759 PolarHBondContact O-N 3.09Å; L755-C759 PolarHBondContact O-SG 3.45Å; L755-F787 HydrophobicContact CD1-CE1 3.92Å; L755-F787 HydrophobicContact CD1-CZ 3.6Å; L755-F787 HydrophobicContact CD2-CE1 3.83Å; L755-F787 HydrophobicContact CD2-CZ 3.85Å; L755-F787 HydrophobicContact CG-CE1 3.99Å; L755-F787 HydrophobicContact CG-CE2 4.23Å; L755-F787 HydrophobicContact CG-CZ 3.53Å; L755-V796 HydrophobicContact CD1-CG2 3.92Å; L755-L926 HydrophobicContact CD2-CD2 3.85Å; L755-I957 HydrophobicContact CB-CD1 3.84Å
756	S	88.8	Confident	76.5	Confident	7 Å²	7	65.4 Å²	65.4	5%	0.049	32%	0.324	C	S	.	.	H	α-helix	trans	-58	-39.5	176.6	-171.2	0	0	0	0	111.6	L752 R753 L754 C759 R760 I957	L752-S756 VanDerWaalsContact O-CB 3.3Å; L752-S756 WeakPolarHBondContact O-CB 3.39Å; L752-S756 PolarHBondContact O-N 2.89Å; R753-S756 PolarHBondContact O-N 3.49Å; L754-S756 VanDerWaalsContact C-N 3.34Å; L754-S756 PolarHBondContact O-N 3.06Å; S756-C759 PolarHBondContact O-N 2.72Å; S756-R760 VanDerWaalsContact O-CG 3.32Å; S756-R760 WeakPolarHBondContact O-CG 3.34Å; S756-R760 PolarHBondContact O-N 3.42Å; S756-R760 PolarHBondContact OG-NE 3.35Å; S756-I957 WeakPolarHBondContact CB-O 3.4Å; S756-I957 PolarHBondContact OG-O 3.18Å
757	S	86.3	Confident	74.1	Confident	41 Å²	41	70.7 Å²	70.7	29%	0.287	35%	0.348	S	S	.	.	H	α-helix	trans	-65.7	-36.5	176.9	79.2	0	0	0	0	112.8	R753 L754 L755	R753-S757 PolarHBondContact O-N 3.14Å; L754-S757 WeakPolarHBondContact O-CB 3.39Å; L754-S757 PolarHBondContact O-N 3Å; L754-S757 VanDerWaalsContact O-N 3.11Å; L754-S757 PolarHBondContact O-OG 3.34Å; L755-S757 VanDerWaalsContact C-N 3.26Å; L755-S757 PolarHBondContact O-N 3.3Å
758	W	86.7	Confident	71.6	Confident	7 Å²	7	80.5 Å²	80.5	3%	0.027	39%	0.385	C	S	.	.	H	α-helix	trans	-74.5	-30.2	178.1	-64.1	-21.7	0	0	0	113.4	L754 L755 L777 L779 A783 F787 L926 L929	L754-W758 HydrophobicContact CD1-CH2 4.43Å; L754-W758 HydrophobicContact CD1-CZ2 3.67Å; L754-W758 HydrophobicContact CD2-CH2 3.6Å; L754-W758 HydrophobicContact CD2-CZ2 3.63Å; L754-W758 HydrophobicContact CD2-CZ3 4.36Å; L754-W758 HydrophobicContact CG-CD2 4.3Å; L754-W758 HydrophobicContact CG-CH2 3.8Å; L754-W758 HydrophobicContact CG-CZ2 3.53Å; L754-W758 HydrophobicContact CG-CZ3 4.28Å; L754-W758 PolarHBondContact O-N 3.06Å; L754-W758 VanDerWaalsContact O-N 3.16Å; L755-W758 HydrophobicContact CD2-CE3 3.91Å; L755-W758 HydrophobicContact CD2-CZ3 4.05Å; L755-W758 PolarHBondContact O-N 3.07Å; L755-W758 VanDerWaalsContact O-N 3.11Å; W758-L777 PolarHBondContact NE1-O 2.77Å; W758-L779 HydrophobicContact CB-CD1 4.23Å; W758-L779 HydrophobicContact CD2-CD1 3.53Å; W758-L779 HydrophobicContact CE3-CD1 3.77Å; W758-L779 HydrophobicContact CG-CD1 3.76Å; W758-L779 HydrophobicContact CZ2-CD1 4.42Å; W758-L779 HydrophobicContact CZ3-CD1 4.33Å; W758-A783 HydrophobicContact CZ2-CB 4.27Å; W758-F787 HydrophobicContact CH2-CB 4.41Å; W758-F787 HydrophobicContact CH2-CD2 4.3Å; W758-F787 HydrophobicContact CH2-CG 4.45Å; W758-F787 HydrophobicContact CZ3-CD2 4.35Å; W758-F787 HydrophobicContact CZ3-CG 4.33Å; W758-L926 HydrophobicContact CE3-CD2 3.83Å; W758-L926 HydrophobicContact CZ3-CD2 3.65Å; W758-L929 HydrophobicContact CB-CD1 4.31Å
759	C	85.5	Confident	69.1	Low	4 Å²	4	91.1 Å²	91.1	3%	0.027	42%	0.424	C	S	.	.	H	α-helix	trans	-78.8	-16	177.8	-63.3	0	0	0	0	114	L755 S756 R937 L955	L755-C759 PolarHBondContact O-N 3.09Å; L755-C759 PolarHBondContact O-SG 3.45Å; S756-C759 PolarHBondContact O-N 2.72Å; C759-R937 CarbonylContact O-C 3.55Å; C759-L955 HydrophobicContact CB-CD2 3.9Å
760	R	79.2	Confident	66.8	Low	119 Å²	119	89 Å²	89	45%	0.449	43%	0.433	S	S	.	.	S	Bend	trans	-82.8	129.5	-178.7	-74.5	173.7	-167.3	-151	-0.2	111	S756	S756-R760 VanDerWaalsContact O-CG 3.32Å; S756-R760 WeakPolarHBondContact O-CG 3.34Å; S756-R760 PolarHBondContact O-N 3.42Å; S756-R760 PolarHBondContact OG-NE 3.35Å
761	P	66.6	Low	64.2	Low	24 Å²	24	93.6 Å²	93.6	16%	0.156	45%	0.446	C	S	.	.			trans	-59.7	142	170.6	-22.2	32.1	0	0	0	112	T763	P761-T763 PolarHBondContact O-N 2.98Å
762	L	55.7	Low	61.7	Low	135 Å²	135	96.4 Å²	96.4	71%	0.707	48%	0.478	S	S	*	.	S	Bend	trans	-72.1	-10.8	-179.6	-79.5	154	0	0	0	114.1	P934	L762-P934 HydrophobicContact CD1-CB 3.77Å
763	T	47.9	Very low	59.3	Low	82 Å²	82	99.6 Å²	99.6	50%	0.503	51%	0.507	S	S	.	.			trans	-125.2	52.3	-163.3	52.4	0	0	0	0	114.4	P761 R765	P761-T763 PolarHBondContact O-N 2.98Å; T763-R765 PolarHBondContact O-N 3.07Å
764	C	41	Very low	56.9	Low	59 Å²	59	96.9 Å²	96.9	40%	0.399	52%	0.516	S	S	.	.			trans	-83.6	85.1	159.2	-64.4	0	0	0	0	109.2	G766 Q767	C764-G766 PolarHBondContact O-N 3.49Å; C764-Q767 PolarHBondContact O-N 2.96Å
765	R	36.1	Very low	54.8	Low	256 Å²	256	101.5 Å²	101.5	97%	0.966	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	105.8	169.4	-72.9	-170.4	-173.9	-150.9	3.1	108.6	T763	T763-R765 PolarHBondContact O-N 3.07Å
766	G	37.5	Very low	53.1	Low	81 Å²	81	104.3 Å²	104.3	84%	0.835	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	130.8	-15.1	172.5	0	0	0	0	0	116.5	C764	C764-G766 PolarHBondContact O-N 3.49Å
767	Q	40.9	Very low	51.7	Low	124 Å²	124	109.5 Å²	109.5	58%	0.579	60%	0.595	S	S	*	*	S	Bend	trans	-85.9	117.4	167.3	-81.9	-178.2	-39	0	0	108.8	D593 C764 R769	D593-Q767 PolarHBondContact OD2-NE2 3.26Å; C764-Q767 PolarHBondContact O-N 2.96Å; Q767-R769 PolarHBondContact O-N 3.26Å; Q767-R769 VanDerWaalsContact O-N 3.14Å
768	R	36.3	Very low	51	Low	242 Å²	242	112.3 Å²	112.3	91%	0.913	61%	0.613	S	S	*	*			trans	-48.7	125	163.7	-80.1	179.9	176	178.1	-1.1	106.7	G770	R768-G770 PolarHBondContact O-N 2.9Å
769	R	39	Very low	50.5	Low	237 Å²	237	113.2 Å²	113.2	89%	0.894	62%	0.618	S	S	*	*			trans	-42.4	113.1	165.5	-81.6	-176.1	174.2	-169.6	-1.1	106.3	Q767 R771	Q767-R769 PolarHBondContact O-N 3.26Å; Q767-R769 VanDerWaalsContact O-N 3.14Å; R769-R771 PolarHBondContact O-N 2.82Å
770	G	37.9	Very low	50.3	Low	55 Å²	55	115 Å²	115	57%	0.567	63%	0.631	S	S	*	*			trans	-52.6	119	172.5	0	0	0	0	0	106.9	R768 G772 A773	R768-G770 PolarHBondContact O-N 2.9Å; G770-G772 VanDerWaalsContact C-N 3.25Å; G770-G772 PolarHBondContact O-N 3.44Å; G770-A773 PolarHBondContact O-N 3.41Å; G770-A773 VanDerWaalsContact O-N 3.17Å
771	R	35.7	Very low	50.4	Low	262 Å²	262	112.6 Å²	112.6	99%	0.989	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	93.2	173.4	-77.7	-176.1	176.7	-157.4	-0.4	106.4	R769	R769-R771 PolarHBondContact O-N 2.82Å
772	G	37.1	Very low	51.2	Low	74 Å²	74	115.4 Å²	115.4	76%	0.763	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	147.2	-7.5	-172.2	0	0	0	0	0	115.7	G770 A774	G770-G772 VanDerWaalsContact C-N 3.25Å; G770-G772 PolarHBondContact O-N 3.44Å; G772-A774 PolarHBondContact O-N 2.96Å
773	A	39.1	Very low	52.5	Low	90 Å²	90	110 Å²	110	74%	0.744	62%	0.622	S	S	*	*			trans	-67.8	86.1	163.9	0	0	0	0	0	108.6	G770 V775	G770-A773 PolarHBondContact O-N 3.41Å; G770-A773 VanDerWaalsContact O-N 3.17Å; A773-V775 PolarHBondContact O-N 3.13Å
774	A	39.4	Very low	54.2	Low	88 Å²	88	106.6 Å²	106.6	73%	0.727	60%	0.601	S	S	*	*			trans	-45.2	132.9	162.8	0	0	0	0	0	107.7	G772 A776	G772-A774 PolarHBondContact O-N 2.96Å; A774-A776 PolarHBondContact O-N 3.3Å
775	V	44.3	Very low	56.3	Low	145 Å²	145	107.7 Å²	107.7	88%	0.879	61%	0.605	S	S	*	*			trans	-36.9	100.7	-179.3	-179.6	0	0	0	0	109.6	A773 L777	A773-V775 PolarHBondContact O-N 3.13Å; V775-L777 PolarHBondContact O-N 2.82Å
776	A	53.3	Low	58.6	Low	59 Å²	59	98.7 Å²	98.7	49%	0.488	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-67.6	124.4	-179.1	0	0	0	0	0	107.2	A774	A774-A776 PolarHBondContact O-N 3.3Å
777	L	61.2	Low	61	Low	115 Å²	115	95.5 Å²	95.5	60%	0.602	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-55.8	128.9	173.7	-77.5	162.2	0	0	0	108.4	W758 V775	W758-L777 PolarHBondContact NE1-O 2.77Å; V775-L777 PolarHBondContact O-N 2.82Å
778	P	70.3	Confident	63.1	Low	101 Å²	101	91 Å²	91	66%	0.656	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-58.7	143.3	177.4	25.6	-32.7	0	0	0	109.3	S780	P778-S780 PolarHBondContact O-N 3.48Å
779	L	77.5	Confident	65.4	Low	25 Å²	25	83.1 Å²	83.1	13%	0.131	51%	0.506	C	S	.	.			trans	-64.1	100.5	173.7	-173.8	76.5	0	0	0	108.2	W758 V784 L929 L930	W758-L779 HydrophobicContact CB-CD1 4.23Å; W758-L779 HydrophobicContact CD2-CD1 3.53Å; W758-L779 HydrophobicContact CE3-CD1 3.77Å; W758-L779 HydrophobicContact CG-CD1 3.76Å; W758-L779 HydrophobicContact CZ2-CD1 4.42Å; W758-L779 HydrophobicContact CZ3-CD1 4.33Å; L779-V784 HydrophobicContact CD1-CG2 3.58Å; L779-V784 HydrophobicContact CG-CG2 4.25Å; L779-L929 HydrophobicContact CD2-CB 4.13Å; L779-L930 HydrophobicContact CD2-CD2 4.11Å; L779-L930 HydrophobicContact CG-CD2 4.13Å
780	S	80.6	Confident	67.6	Low	43 Å²	43	75 Å²	75	30%	0.301	49%	0.49	S	S	.	.			trans	-112.3	155.1	174.8	69.8	0	0	0	0	110.8	P778 S782 A783 V784	P778-S780 PolarHBondContact O-N 3.48Å; S780-S782 PolarHBondContact O-N 3.21Å; S780-S782 PolarHBondContact OG-OG 3.47Å; S780-A783 PolarHBondContact O-N 3.05Å; S780-A783 VanDerWaalsContact OG-CB 3.3Å; S780-A783 WeakPolarHBondContact OG-CB 3.42Å; S780-A783 PolarHBondContact OG-N 3.35Å; S780-A783 VanDerWaalsContact OG-N 3.11Å; S780-V784 WeakPolarHBondContact O-CG2 3.38Å; S780-V784 PolarHBondContact O-N 3.18Å
781	D	81.6	Confident	69.9	Low	68 Å²	68	74 Å²	74	36%	0.364	47%	0.47	S	S	.	.	H	α-helix	trans	-59.2	-35.7	177.7	-148.7	26.1	0	0	0	111.1	R710 V784 T785	R710-D781 IonicContact CZ-OD2 3.99Å; R710-D781 IonicContact NH1-OD2 2.61Å; R710-D781 PolarHBondContact NH1-OD2 3.28Å; R710-D781 IonicContact NH2-OD2 3.92Å; R710-D781 PolarHBondContact NH2-OD2 2.84Å; D781-V784 PolarHBondContact O-N 3.38Å; D781-T785 WeakPolarHBondContact O-CB 3.35Å; D781-T785 VanDerWaalsContact O-CG2 3.32Å; D781-T785 WeakPolarHBondContact O-CG2 3.14Å; D781-T785 PolarHBondContact O-N 2.94Å; D781-T785 PolarHBondContact O-OG1 3.13Å
782	S	82.7	Confident	72.3	Confident	83 Å²	83	67.5 Å²	67.5	58%	0.58	45%	0.449	S	S	*	.	H	α-helix	trans	-68.1	-39.6	175.6	57.2	0	0	0	0	113.9	S780 V784 T785 S786	S780-S782 PolarHBondContact O-N 3.21Å; S780-S782 PolarHBondContact OG-OG 3.47Å; S782-V784 VanDerWaalsContact C-N 3.34Å; S782-T785 WeakPolarHBondContact CA-OG1 3.41Å; S782-T785 PolarHBondContact O-OG1 3.47Å; S782-T785 VanDerWaalsContact O-OG1 3.05Å; S782-S786 WeakPolarHBondContact O-CB 3.26Å; S782-S786 PolarHBondContact O-N 3.37Å; S782-S786 VanDerWaalsContact O-N 3.11Å; S782-S786 PolarHBondContact O-OG 3.24Å
783	A	82.6	Confident	74.7	Confident	21 Å²	21	65.2 Å²	65.2	17%	0.174	42%	0.419	C	S	.	.	H	α-helix	trans	-69.6	-35.7	176.4	0	0	0	0	0	111.2	W758 S780 S786 F787	W758-A783 HydrophobicContact CZ2-CB 4.27Å; S780-A783 PolarHBondContact O-N 3.05Å; S780-A783 VanDerWaalsContact OG-CB 3.3Å; S780-A783 WeakPolarHBondContact OG-CB 3.42Å; S780-A783 PolarHBondContact OG-N 3.35Å; S780-A783 VanDerWaalsContact OG-N 3.11Å; A783-S786 WeakPolarHBondContact CA-OG 3.29Å; A783-S786 PolarHBondContact O-OG 3.28Å; A783-F787 VanDerWaalsContact O-CB 3.23Å; A783-F787 WeakPolarHBondContact O-CB 3.41Å; A783-F787 PolarHBondContact O-N 2.92Å
784	V	84.1	Confident	77.1	Confident	11 Å²	11	61.1 Å²	61.1	7%	0.067	39%	0.385	C	S	.	.	H	α-helix	trans	-70.1	-45.4	177.6	169.9	0	0	0	0	111.7	L779 S780 D781 S782 F787 H788 L926 L930	L779-V784 HydrophobicContact CD1-CG2 3.58Å; L779-V784 HydrophobicContact CG-CG2 4.25Å; S780-V784 WeakPolarHBondContact O-CG2 3.38Å; S780-V784 PolarHBondContact O-N 3.18Å; D781-V784 PolarHBondContact O-N 3.38Å; S782-V784 VanDerWaalsContact C-N 3.34Å; V784-F787 PolarHBondContact O-N 3.35Å; V784-H788 WeakPolarHBondContact O-CB 3.26Å; V784-H788 PolarHBondContact O-N 2.71Å; V784-L926 HydrophobicContact CG1-CB 3.79Å; V784-L926 HydrophobicContact CG1-CD1 4.13Å; V784-L926 HydrophobicContact CG1-CD2 4.42Å; V784-L926 HydrophobicContact CG1-CG 4.32Å; V784-L926 HydrophobicContact CG2-CD2 4.35Å; V784-L930 HydrophobicContact CB-CD1 4.37Å; V784-L930 HydrophobicContact CG1-CD1 3.97Å; V784-L930 HydrophobicContact CG2-CD1 4.36Å; V784-L930 HydrophobicContact CG2-CD2 4.08Å; V784-L930 HydrophobicContact CG2-CG 4.28Å
785	T	84.6	Confident	79.7	Confident	81 Å²	81	57 Å²	57	50%	0.497	35%	0.35	S	S	.	.	H	α-helix	trans	-64.7	-43.6	179.2	44.6	0	0	0	0	112.2	D781 S782 H788 S789	D781-T785 WeakPolarHBondContact O-CB 3.35Å; D781-T785 VanDerWaalsContact O-CG2 3.32Å; D781-T785 WeakPolarHBondContact O-CG2 3.14Å; D781-T785 PolarHBondContact O-N 2.94Å; D781-T785 PolarHBondContact O-OG1 3.13Å; S782-T785 WeakPolarHBondContact CA-OG1 3.41Å; S782-T785 PolarHBondContact O-OG1 3.47Å; S782-T785 VanDerWaalsContact O-OG1 3.05Å; T785-H788 PolarHBondContact O-N 3.22Å; T785-S789 PolarHBondContact O-N 2.91Å
786	S	85.9	Confident	82.1	Confident	67 Å²	67	50 Å²	50	47%	0.469	31%	0.309	S	S	.	.	H	α-helix	trans	-61.7	-44.1	172.8	57.4	0	0	0	0	111.8	S782 A783 H788 S789 A790	S782-S786 WeakPolarHBondContact O-CB 3.26Å; S782-S786 PolarHBondContact O-N 3.37Å; S782-S786 VanDerWaalsContact O-N 3.11Å; S782-S786 PolarHBondContact O-OG 3.24Å; A783-S786 WeakPolarHBondContact CA-OG 3.29Å; A783-S786 PolarHBondContact O-OG 3.28Å; S786-H788 PolarHBondContact O-N 2.81Å; S786-S789 PolarHBondContact O-N 2.86Å; S786-S789 PolarHBondContact O-OG 3.04Å; S786-A790 PolarHBondContact O-N 3.47Å
787	F	86.4	Confident	84	Confident	14 Å²	14	49.3 Å²	49.3	6%	0.061	29%	0.293	C	S	.	.	H	α-helix	trans	-62.5	-41.9	176.1	-167.8	-81.5	0	0	0	112.7	L746 L754 L755 W758 A783 V784 A790 H791 V922 L926	L746-F787 HydrophobicContact CD2-CE1 4.33Å; L746-F787 HydrophobicContact CD2-CZ 3.98Å; L754-F787 HydrophobicContact CD2-CD2 3.98Å; L754-F787 HydrophobicContact CD2-CE2 4.18Å; L755-F787 HydrophobicContact CD1-CE1 3.92Å; L755-F787 HydrophobicContact CD1-CZ 3.6Å; L755-F787 HydrophobicContact CD2-CE1 3.83Å; L755-F787 HydrophobicContact CD2-CZ 3.85Å; L755-F787 HydrophobicContact CG-CE1 3.99Å; L755-F787 HydrophobicContact CG-CE2 4.23Å; L755-F787 HydrophobicContact CG-CZ 3.53Å; W758-F787 HydrophobicContact CH2-CB 4.41Å; W758-F787 HydrophobicContact CH2-CD2 4.3Å; W758-F787 HydrophobicContact CH2-CG 4.45Å; W758-F787 HydrophobicContact CZ3-CD2 4.35Å; W758-F787 HydrophobicContact CZ3-CG 4.33Å; A783-F787 VanDerWaalsContact O-CB 3.23Å; A783-F787 WeakPolarHBondContact O-CB 3.41Å; A783-F787 PolarHBondContact O-N 2.92Å; V784-F787 PolarHBondContact O-N 3.35Å; F787-A790 PolarHBondContact O-N 3.44Å; F787-H791 AromaticContact CD1-CD2 3.9Å; F787-H791 HydrophobicContact CE1-CB 4.46Å; F787-H791 AromaticContact CE1-CD2 3.66Å; F787-H791 AromaticContact CZ-CD2 3.72Å; F787-H791 PolarHBondContact O-CD2 2.86Å; F787-H791 PolarHBondContact O-N 3.06Å; F787-H791 VanDerWaalsContact O-N 3.17Å; F787-V922 HydrophobicContact CD1-CG1 4.09Å; F787-V922 HydrophobicContact CE1-CG1 3.7Å; F787-L926 HydrophobicContact CD1-CD1 3.81Å; F787-L926 HydrophobicContact CE1-CD1 4.48Å
788	H	84.9	Confident	85.5	Confident	30 Å²	30	43.9 Å²	43.9	14%	0.139	27%	0.265	C	S	.	.	H	α-helix	trans	-61.8	-46.2	176.3	-176.3	-92.5	0	0	0	111.6	E700 V784 T785 S786 A790 H791 K792 S923	E700-H788 IonicContact OE1-CE1 3.36Å; E700-H788 PolarHBondContact OE1-CE1 3.36Å; E700-H788 IonicContact OE2-CE1 3.4Å; E700-H788 IonicContact OE2-NE2 3.78Å; V784-H788 WeakPolarHBondContact O-CB 3.26Å; V784-H788 PolarHBondContact O-N 2.71Å; T785-H788 PolarHBondContact O-N 3.22Å; S786-H788 PolarHBondContact O-N 2.81Å; H788-A790 PolarHBondContact O-N 3.18Å; H788-H791 CarbonylContact O-C 3.47Å; H788-H791 PolarHBondContact O-N 3.49Å; H788-H791 VanDerWaalsContact O-N 3.13Å; H788-K792 PolarHBondContact O-N 3.31Å; H788-S923 PolarHBondContact CD2-OG 2.96Å; H788-S923 WeakPolarHBondContact NE2-CB 3.48Å; H788-S923 PolarHBondContact NE2-OG 3.46Å
789	S	85.6	Confident	86.5	Confident	76 Å²	76	39.6 Å²	39.6	53%	0.531	24%	0.235	S	C	.	.	H	α-helix	trans	-60.1	-31.5	178.2	69.7	0	0	0	0	113.3	T785 S786	T785-S789 PolarHBondContact O-N 2.91Å; S786-S789 PolarHBondContact O-N 2.86Å; S786-S789 PolarHBondContact O-OG 3.04Å
790	A	85.5	Confident	87.3	Confident	68 Å²	68	38.4 Å²	38.4	56%	0.562	23%	0.229	S	C	*	.	H	α-helix	trans	-79.8	-26.4	178.6	0	0	0	0	0	113.4	S786 F787 H788	S786-A790 PolarHBondContact O-N 3.47Å; F787-A790 PolarHBondContact O-N 3.44Å; H788-A790 PolarHBondContact O-N 3.18Å
791	H	84.8	Confident	87.8	Confident	33 Å²	33	37 Å²	37	15%	0.153	22%	0.219	C	C	.	.	S	Bend	trans	-128.7	57.7	-173	-59.5	-63.7	0	0	0	111.3	L746 S751 F787 H788 S794	L746-H791 WeakPolarHBondContact CD1-ND1 3.36Å; S751-H791 PolarHBondContact OG-NE2 3.2Å; F787-H791 AromaticContact CD1-CD2 3.9Å; F787-H791 HydrophobicContact CE1-CB 4.46Å; F787-H791 AromaticContact CE1-CD2 3.66Å; F787-H791 AromaticContact CZ-CD2 3.72Å; F787-H791 PolarHBondContact O-CD2 2.86Å; F787-H791 PolarHBondContact O-N 3.06Å; F787-H791 VanDerWaalsContact O-N 3.17Å; H788-H791 CarbonylContact O-C 3.47Å; H788-H791 PolarHBondContact O-N 3.49Å; H788-H791 VanDerWaalsContact O-N 3.13Å; H791-S794 WeakPolarHBondContact O-CB 3.43Å; H791-S794 PolarHBondContact O-OG 3.14Å
792	K	85.9	Confident	88.3	Confident	125 Å²	125	33.8 Å²	33.8	54%	0.543	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	147	175.9	-64.3	-171.1	179	-171.8	0	111.3	H788 S794	H788-K792 PolarHBondContact O-N 3.31Å; K792-S794 PolarHBondContact O-N 3.34Å; K792-S794 PolarHBondContact O-OG 3.42Å
793	M	87.6	Confident	88.5	Confident	26 Å²	26	32.4 Å²	32.4	13%	0.128	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	35.6	179.1	-58.8	-178	68.7	0	0	113.7	A696 E697 E700 P741 F743 T744	A696-M793 HydrophobicContact CB-CB 4.21Å; A696-M793 HydrophobicContact CB-CE 4.46Å; E697-M793 HydrophobicContact CG-CE 3.57Å; E700-M793 PolarHBondContact OE2-N 3.07Å; P741-M793 HydrophobicContact CB-SD 4.02Å; P741-M793 HydrophobicContact CG-CE 4.49Å; P741-M793 HydrophobicContact CG-SD 3.89Å; P741-M793 WeakPolarHBondContact O-CE 3.43Å; F743-M793 WeakPolarHBondContact CA-O 3.16Å; T744-M793 PolarHBondContact N-O 2.99Å
794	S	91.2	Very high	88.6	Confident	4 Å²	4	32.8 Å²	32.8	3%	0.028	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	144.8	-176	-70	0	0	0	0	112.7	T744 H791 K792 V922	T744-S794 CarbonylContact O-C 3.52Å; T744-S794 VanDerWaalsContact O-CA 3.26Å; T744-S794 WeakPolarHBondContact O-CA 3.1Å; T744-S794 PolarHBondContact OG1-OG 3.24Å; T744-S794 VanDerWaalsContact OG1-OG 3.08Å; H791-S794 WeakPolarHBondContact O-CB 3.43Å; H791-S794 PolarHBondContact O-OG 3.14Å; K792-S794 PolarHBondContact O-N 3.34Å; K792-S794 PolarHBondContact O-OG 3.42Å; S794-V922 WeakPolarHBondContact O-CB 3.37Å; S794-V922 WeakPolarHBondContact O-CG2 3.44Å; S794-V922 PolarHBondContact O-N 3.45Å
795	V	93.4	Very high	88.5	Confident	1 Å²	1	42 Å²	42	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.3	177	-157.8	0	0	0	0	109.5	F743 T744 V745 L746 F919 V920	F743-V795 HydrophobicContact CD2-CG2 3.79Å; F743-V795 HydrophobicContact CG-CG2 4.49Å; T744-V795 PolarHBondContact O-N 3.22Å; V745-V795 CarbonylContact C-O 3.54Å; V745-V795 WeakPolarHBondContact CA-O 3.48Å; L746-V795 PolarHBondContact N-O 2.97Å; V795-F919 HydrophobicContact CG1-CB 3.62Å; V795-F919 HydrophobicContact CG1-CD1 4.46Å; V795-F919 HydrophobicContact CG1-CG 4.48Å; V795-V920 WeakPolarHBondContact CA-O 3.45Å; V795-V920 VanDerWaalsContact CG1-C 3.4Å; V795-V920 WeakPolarHBondContact CG1-O 3.4Å
796	V	93.6	Very high	88.6	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137	-177.4	169.7	0	0	0	0	110.9	L746 L752 L755 V798 F919 V920 V922 I957	L746-V796 HydrophobicContact CB-CG2 3.76Å; L746-V796 HydrophobicContact CD2-CG2 3.74Å; L746-V796 HydrophobicContact CG-CG2 4.26Å; L752-V796 HydrophobicContact CD2-CG1 3.86Å; L752-V796 HydrophobicContact CD2-CG2 4.16Å; L755-V796 HydrophobicContact CD1-CG2 3.92Å; V796-V798 HydrophobicContact CG1-CG1 4Å; V796-F919 VanDerWaalsContact O-CA 3.29Å; V796-F919 WeakPolarHBondContact O-CA 3.32Å; V796-V920 PolarHBondContact N-O 3.08Å; V796-V920 PolarHBondContact O-N 3.49Å; V796-V922 HydrophobicContact CB-CG2 4.39Å; V796-V922 HydrophobicContact CG2-CG2 3.39Å; V796-I957 HydrophobicContact CG1-CD1 4.17Å; V796-I957 HydrophobicContact CG1-CG2 4.36Å
797	W	92.9	Very high	88.9	Confident	44 Å²	44	41 Å²	41	17%	0.167	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	126.4	169.9	177.1	-104.8	0	0	0	111	P641 D646 L917 F919	P641-W797 HydrophobicContact CB-CD2 4.41Å; P641-W797 HydrophobicContact CB-CH2 4.16Å; P641-W797 HydrophobicContact CB-CZ2 3.84Å; D646-W797 HydrophobicContact CB-CH2 3.54Å; D646-W797 HydrophobicContact CB-CZ2 4.47Å; D646-W797 HydrophobicContact CB-CZ3 3.6Å; W797-L917 HydrophobicContact CH2-CB 3.51Å; W797-L917 HydrophobicContact CH2-CD1 4.23Å; W797-L917 HydrophobicContact CH2-CG 4.34Å; W797-L917 HydrophobicContact CZ2-CB 3.64Å; W797-L917 HydrophobicContact CZ2-CD1 3.84Å; W797-L917 HydrophobicContact CZ2-CD2 3.99Å; W797-L917 HydrophobicContact CZ2-CG 4.03Å; W797-L917 HydrophobicContact CZ3-CB 4.26Å; W797-F919 HydrophobicContact CB-CD1 4.22Å; W797-F919 HydrophobicContact CB-CE1 3.87Å; W797-F919 HydrophobicContact CD2-CE1 4.38Å; W797-F919 HydrophobicContact CD2-CZ 4.31Å; W797-F919 HydrophobicContact CE3-CD1 4.12Å; W797-F919 AromaticContact CE3-CD2 3.99Å; W797-F919 HydrophobicContact CE3-CD2 3.99Å; W797-F919 AromaticContact CE3-CE1 3.63Å; W797-F919 HydrophobicContact CE3-CE1 3.63Å; W797-F919 AromaticContact CE3-CE2 3.49Å; W797-F919 HydrophobicContact CE3-CE2 3.49Å; W797-F919 VanDerWaalsContact CE3-CE2 3.49Å; W797-F919 HydrophobicContact CE3-CG 4.28Å; W797-F919 AromaticContact CE3-CZ 3.29Å; W797-F919 HydrophobicContact CE3-CZ 3.29Å; W797-F919 HydrophobicContact CZ3-CD2 4.19Å; W797-F919 AromaticContact CZ3-CE2 3.57Å; W797-F919 HydrophobicContact CZ3-CE2 3.57Å; W797-F919 AromaticContact CZ3-CZ 3.77Å; W797-F919 HydrophobicContact CZ3-CZ 3.77Å
798	V	93.1	Very high	89.2	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	145.8	-175.6	-62	0	0	0	0	112.5	V796 L800 G918 V920 L955 I957	V796-V798 HydrophobicContact CG1-CG1 4Å; V798-L800 HydrophobicContact CG2-CD2 4.17Å; V798-L800 HydrophobicContact CG2-CG 4.24Å; V798-G918 WeakPolarHBondContact CG2-O 3.33Å; V798-G918 PolarHBondContact N-O 2.89Å; V798-G918 PolarHBondContact O-N 3.04Å; V798-V920 HydrophobicContact CB-CG2 4.47Å; V798-V920 HydrophobicContact CG1-CG2 3.55Å; V798-V920 HydrophobicContact CG2-CG1 3.83Å; V798-V920 HydrophobicContact CG2-CG2 4.08Å; V798-L955 HydrophobicContact CB-CD1 4.28Å; V798-L955 HydrophobicContact CB-CG 4.17Å; V798-L955 HydrophobicContact CG1-CD1 4Å; V798-L955 HydrophobicContact CG1-CD2 4.33Å; V798-L955 HydrophobicContact CG1-CG 4.14Å; V798-L955 HydrophobicContact CG2-CD1 4.47Å; V798-I957 HydrophobicContact CG1-CG1 4.15Å
799	R	92.6	Very high	89.5	Confident	11 Å²	11	42.3 Å²	42.3	4%	0.042	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.4	168.2	-178.6	178.4	173.3	-148.6	-2.3	109.2	E594 E915 L917 N956 D958	E594-R799 IonicContact OE2-CZ 3.66Å; E594-R799 IonicContact OE2-NH1 2.66Å; E594-R799 PolarHBondContact OE2-NH1 2.71Å; E594-R799 IonicContact OE2-NH2 3.88Å; E594-R799 PolarHBondContact OE2-NH2 3.38Å; R799-E915 IonicContact CZ-OE1 2.86Å; R799-E915 VanDerWaalsContact CZ-OE1 3.28Å; R799-E915 IonicContact NE-OE1 3.24Å; R799-E915 PolarHBondContact NE-OE1 3.49Å; R799-E915 IonicContact NH2-OE1 3.78Å; R799-E915 PolarHBondContact NH2-OE1 3.16Å; R799-E915 IonicContact NH2-OE2 3.31Å; R799-L917 HydrophobicContact CB-CD2 3.93Å; R799-L917 HydrophobicContact CG-CD2 4.01Å; R799-N956 PolarHBondContact N-O 3.28Å; R799-N956 PolarHBondContact O-N 3.21Å; R799-D958 IonicContact NH1-OD2 3.46Å
800	L	92.9	Very high	89.8	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	118.1	-179.5	-58.2	175.3	0	0	0	109.2	V798 V814 V902 E915 A916 L942 V953 R954 L955	V798-L800 HydrophobicContact CG2-CD2 4.17Å; V798-L800 HydrophobicContact CG2-CG 4.24Å; L800-V814 HydrophobicContact CD1-CG1 4.39Å; L800-V814 HydrophobicContact CD1-CG2 3.52Å; L800-V902 HydrophobicContact CD1-CG2 4Å; L800-E915 WeakPolarHBondContact O-CA 3.45Å; L800-A916 HydrophobicContact CB-CB 4.14Å; L800-A916 PolarHBondContact N-O 2.99Å; L800-A916 PolarHBondContact O-N 3.27Å; L800-L942 HydrophobicContact CD1-CD1 4.18Å; L800-V953 HydrophobicContact CB-CB 4.32Å; L800-V953 HydrophobicContact CB-CG2 4.47Å; L800-V953 HydrophobicContact CD2-CG2 4.2Å; L800-R954 WeakPolarHBondContact CA-O 3.31Å; L800-L955 HydrophobicContact CD2-CB 3.92Å; L800-L955 HydrophobicContact CD2-CD1 4.28Å; L800-L955 HydrophobicContact CD2-CG 4.13Å
801	T	91.8	Very high	90.1	Very high	13 Å²	13	37.8 Å²	37.8	8%	0.08	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.5	176.5	-54.8	0	0	0	0	109.2	L803 V911 E915 V953 R954	T801-L803 PolarHBondContact O-N 3.1Å; T801-V911 HydrophobicContact CG2-CG1 4.39Å; T801-E915 HydrophobicContact CG2-CG 4.36Å; T801-E915 PolarHBondContact OG1-OE1 2.83Å; T801-V953 CarbonylContact O-C 3.43Å; T801-V953 WeakPolarHBondContact O-CA 3.42Å; T801-R954 PolarHBondContact N-O 3.15Å; T801-R954 PolarHBondContact O-N 3.3Å
802	L	91.6	Very high	90.5	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	132.8	176.3	-78.6	151.3	0	0	0	110.6	P808 R913 G914 R951 V953	L802-P808 HydrophobicContact CD1-CB 4.18Å; L802-P808 VanDerWaalsContact CD1-CD 3.48Å; L802-P808 HydrophobicContact CD1-CG 3.85Å; L802-R913 WeakPolarHBondContact O-CD 3.48Å; L802-G914 WeakPolarHBondContact CB-O 3.28Å; L802-G914 PolarHBondContact N-O 2.66Å; L802-R951 HydrophobicContact CD2-CB 3.54Å; L802-R951 HydrophobicContact CD2-CG 4.38Å; L802-V953 HydrophobicContact CD2-CG1 3.58Å; L802-V953 HydrophobicContact CG-CG1 3.83Å
803	L	87.8	Confident	90.9	Very high	53 Å²	53	30.5 Å²	30.5	28%	0.277	15%	0.153	S	C	.	.	S	Bend	trans	-81.5	-35	177.2	-63.9	178.5	0	0	0	111.6	T801 F825 R913 F952 R954	T801-L803 PolarHBondContact O-N 3.1Å; L803-F825 HydrophobicContact CD1-CE2 3.57Å; L803-F825 HydrophobicContact CD1-CZ 3.66Å; L803-R913 PolarHBondContact O-NH1 3.33Å; L803-F952 HydrophobicContact CD1-CB 4.22Å; L803-F952 PolarHBondContact N-O 3.08Å; L803-F952 VanDerWaalsContact N-O 3.11Å; L803-R954 HydrophobicContact CD2-CB 4.07Å; L803-R954 HydrophobicContact CG-CB 4.49Å
804	S	84.3	Confident	91.2	Very high	30 Å²	30	29.3 Å²	29.3	21%	0.21	15%	0.147	C	C	.	.	S	Bend	trans	-103.5	170	177.3	66.5	0	0	0	0	112.6	G806	S804-G806 PolarHBondContact O-N 3.39Å; S804-G806 VanDerWaalsContact O-N 3.12Å
805	K	82.8	Confident	91.4	Very high	203 Å²	203	29.1 Å²	29.1	88%	0.883	15%	0.146	S	C	*	.	S	Bend	trans	-64.4	112.2	178.1	-175.9	-179.4	-179.4	-178.8	0	110.7	R951	K805-R951 PolarHBondContact O-NH1 2.92Å
806	G	85.6	Confident	91.3	Very high	15 Å²	15	29.8 Å²	29.8	16%	0.155	15%	0.151	C	C	.	.			trans	-166.4	165.9	176.3	0	0	0	0	0	112.2	S804	S804-G806 PolarHBondContact O-N 3.39Å; S804-G806 VanDerWaalsContact O-N 3.12Å
807	K	91.8	Very high	91.3	Very high	112 Å²	112	30.6 Å²	30.6	49%	0.487	16%	0.157	S	C	.	.			trans	-120.9	118.8	170.4	173.4	173.2	163.4	151.4	0	108.3	D906 N944	K807-D906 WeakPolarHBondContact CE-OD1 3.3Å; K807-D906 IonicContact NZ-OD1 2.72Å; K807-D906 PolarHBondContact NZ-OD1 2.99Å; K807-N944 PolarHBondContact O-ND2 3.37Å
808	P	93.3	Very high	91.2	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-73.9	145.3	173.7	28.5	-23	0	0	0	109.3	L802 G905 D906 E915 A916 L942	L802-P808 HydrophobicContact CD1-CB 4.18Å; L802-P808 VanDerWaalsContact CD1-CD 3.48Å; L802-P808 HydrophobicContact CD1-CG 3.85Å; P808-G905 CarbonylContact O-C 3.55Å; P808-D906 WeakPolarHBondContact CD-O 3.33Å; P808-E915 WeakPolarHBondContact CG-O 3.22Å; P808-A916 HydrophobicContact CB-CB 3.84Å; P808-A916 HydrophobicContact CG-CB 3.84Å; P808-L942 HydrophobicContact CB-CD1 4.22Å; P808-L942 HydrophobicContact CB-CD2 4.17Å
809	E	92.3	Very high	90.9	Very high	72 Å²	72	34.4 Å²	34.4	34%	0.336	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-102.8	164.1	175.1	-68.8	-179.1	169.7	0	0	110.7	A812 N944 T946	E809-A812 WeakPolarHBondContact O-CB 3.3Å; E809-A812 PolarHBondContact O-N 3.32Å; E809-N944 HydrophobicContact CB-CB 4.35Å; E809-N944 HydrophobicContact CG-CB 4.39Å; E809-N944 PolarHBondContact N-OD1 3.17Å; E809-T946 PolarHBondContact OE1-OG1 3.34Å; E809-T946 WeakPolarHBondContact OE2-CG2 3.39Å; E809-T946 PolarHBondContact OE2-OG1 3.01Å
810	A	90.6	Very high	90.6	Very high	42 Å²	42	40.7 Å²	40.7	35%	0.347	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	146.2	169.1	0	0	0	0	0	110	A812	A810-A812 PolarHBondContact O-N 3.16Å
811	H	92.4	Very high	90.3	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.028	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	21.9	-176.3	-46.6	155.3	0	0	0	114.3	Q660 F664 P687 F688 C690 V902 P945	Q660-H811 PolarHBondContact OE1-CE1 3.18Å; Q660-H811 PolarHBondContact OE1-NE2 3.35Å; Q660-H811 VanDerWaalsContact OE1-NE2 3.09Å; F664-H811 AromaticContact CD2-CE1 3.87Å; F664-H811 AromaticContact CE2-CE1 3.5Å; F664-H811 VanDerWaalsContact CE2-CE1 3.5Å; F664-H811 WeakPolarHBondContact CE2-CE1 3.34Å; P687-H811 PolarHBondContact O-ND1 2.9Å; F688-H811 VanDerWaalsContact C-CE1 3.47Å; F688-H811 PolarHBondContact O-CE1 3.1Å; C690-H811 PolarHBondContact SG-CD2 3.25Å; H811-V902 WeakPolarHBondContact CA-O 3.43Å; H811-V902 PolarHBondContact N-O 2.84Å; H811-P945 HydrophobicContact CB-CG 4.44Å; H811-P945 WeakPolarHBondContact O-CG 3.16Å
812	A	93.6	Very high	89.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-62.3	138	169.9	0	0	0	0	0	110.5	E809 A810 W901 V902 L942 R943	E809-A812 WeakPolarHBondContact O-CB 3.3Å; E809-A812 PolarHBondContact O-N 3.32Å; A810-A812 PolarHBondContact O-N 3.16Å; A812-W901 CarbonylContact O-C 3.56Å; A812-W901 VanDerWaalsContact O-CA 3.32Å; A812-W901 WeakPolarHBondContact O-CA 3.4Å; A812-V902 HydrophobicContact CB-CB 4.08Å; A812-V902 HydrophobicContact CB-CG2 4.1Å; A812-V902 PolarHBondContact O-N 3.48Å; A812-L942 HydrophobicContact CB-CD1 4.35Å; A812-L942 HydrophobicContact CB-CD2 4.05Å; A812-L942 HydrophobicContact CB-CG 4.11Å; A812-R943 CarbonylContact C-O 3.35Å; A812-R943 WeakPolarHBondContact CA-O 3.44Å; A812-R943 WeakPolarHBondContact CB-O 3.28Å
813	M	93.8	Very high	89.5	Confident	6 Å²	6	48 Å²	48	3%	0.03	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	137.3	178.1	-71.6	151.9	-67.4	0	0	109.7	C684 T898 L942 R943	C684-M813 HydrophobicContact CB-CE 4.01Å; M813-T898 HydrophobicContact CB-CG2 4.44Å; M813-T898 HydrophobicContact CG-CG2 4.46Å; M813-L942 WeakPolarHBondContact O-CA 3.4Å; M813-R943 PolarHBondContact N-O 3.17Å; M813-R943 PolarHBondContact O-N 3.48Å; M813-R943 PolarHBondContact SD-NH2 3.2Å
814	V	94.6	Very high	89.1	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126	171.6	-173.8	0	0	0	0	107.1	L800 L899 G900 V902 V920 L940 L941	L800-V814 HydrophobicContact CD1-CG1 4.39Å; L800-V814 HydrophobicContact CD1-CG2 3.52Å; V814-L899 PolarHBondContact O-N 3.47Å; V814-G900 PolarHBondContact N-O 3.49Å; V814-G900 PolarHBondContact O-N 3.1Å; V814-V902 HydrophobicContact CG2-CG2 4.14Å; V814-V920 HydrophobicContact CB-CG1 4.37Å; V814-V920 HydrophobicContact CG1-CG1 4.13Å; V814-L940 HydrophobicContact CG1-CB 4.27Å; V814-L940 HydrophobicContact CG1-CD1 3.73Å; V814-L941 CarbonylContact C-O 3.56Å; V814-L941 WeakPolarHBondContact CA-O 3.37Å
815	C	94	Very high	88.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.3	-174.9	-58.6	0	0	0	0	111.4	R896 V897 L941 Y950	C815-R896 HydrophobicContact CB-CB 3.88Å; C815-V897 CarbonylContact C-O 3.57Å; C815-V897 WeakPolarHBondContact CA-O 3.49Å; C815-V897 WeakPolarHBondContact CB-O 3.31Å; C815-L941 HydrophobicContact CB-CB 4.36Å; C815-L941 PolarHBondContact N-O 3.45Å; C815-L941 PolarHBondContact O-N 3.32Å; C815-Y950 HydrophobicContact CB-CE1 4.09Å
816	A	93	Very high	87.8	Confident	15 Å²	15	44.4 Å²	44.4	12%	0.124	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-71.3	132.6	172.8	0	0	0	0	0	110.2	V897 L899 T928	A816-V897 PolarHBondContact N-O 2.86Å; A816-L899 HydrophobicContact CB-CD1 3.87Å; A816-L899 HydrophobicContact CB-CD2 4.36Å; A816-L899 HydrophobicContact CB-CG 4.09Å; A816-T928 HydrophobicContact CB-CG2 4.17Å
817	P	92.4	Very high	86.8	Confident	17 Å²	17	51.6 Å²	51.6	11%	0.11	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-74.1	145.8	173.4	30.7	-33.1	0	0	0	111	D821 L822 T939 L941	P817-D821 HydrophobicContact CB-CB 4.18Å; P817-L822 HydrophobicContact CB-CD2 4.04Å; P817-L822 HydrophobicContact CB-CG 4.19Å; P817-L822 HydrophobicContact CG-CD2 3.92Å; P817-L822 HydrophobicContact CG-CG 4.29Å; P817-T939 WeakPolarHBondContact CG-O 3.43Å; P817-L941 HydrophobicContact CB-CD1 4.25Å; P817-L941 HydrophobicContact CB-CG 4.14Å
818	T	90.6	Very high	85.1	Confident	55 Å²	55	48.2 Å²	48.2	34%	0.337	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-81.2	165.9	169.9	69.5	0	0	0	0	111.2	E820 D821 L822	T818-E820 PolarHBondContact O-N 3.4Å; T818-E820 PolarHBondContact OG1-N 3.02Å; T818-D821 PolarHBondContact N-OD2 2.95Å; T818-D821 PolarHBondContact O-N 3.4Å; T818-D821 VanDerWaalsContact O-N 3.14Å; T818-D821 PolarHBondContact OG1-N 3.13Å; T818-D821 PolarHBondContact OG1-OD2 3.47Å; T818-L822 PolarHBondContact O-N 3.1Å; T818-L822 VanDerWaalsContact O-N 3.11Å
819	A	86.4	Confident	83.5	Confident	69 Å²	69	54.6 Å²	54.6	57%	0.57	31%	0.314	S	S	*	.	H	α-helix	trans	-60.3	-29.7	174.7	0	0	0	0	0	112.4	K823	A819-K823 WeakPolarHBondContact O-CG 3.34Å; A819-K823 PolarHBondContact O-N 3.1Å
820	E	86.4	Confident	81.9	Confident	144 Å²	144	59.6 Å²	59.6	67%	0.673	34%	0.337	S	S	*	.	H	α-helix	trans	-69.6	-43.7	174.4	-61.8	-178	177.8	0	0	111.5	T818 L822 K823 L824	T818-E820 PolarHBondContact O-N 3.4Å; T818-E820 PolarHBondContact OG1-N 3.02Å; E820-L822 VanDerWaalsContact C-N 3.28Å; E820-L822 PolarHBondContact O-N 3.45Å; E820-K823 WeakPolarHBondContact O-CB 3.31Å; E820-K823 PolarHBondContact O-N 3.49Å; E820-K823 VanDerWaalsContact O-N 3.14Å; E820-L824 WeakPolarHBondContact O-CG 3.33Å; E820-L824 PolarHBondContact O-N 3.42Å
821	D	87.6	Confident	80.5	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.021	34%	0.337	C	S	.	.	H	α-helix	trans	-60.7	-39.7	178.3	-59.4	-36.9	0	0	0	111.2	P817 T818 L824 F825 P834 R896 L941 F952	P817-D821 HydrophobicContact CB-CB 4.18Å; T818-D821 PolarHBondContact N-OD2 2.95Å; T818-D821 PolarHBondContact O-N 3.4Å; T818-D821 VanDerWaalsContact O-N 3.14Å; T818-D821 PolarHBondContact OG1-N 3.13Å; T818-D821 PolarHBondContact OG1-OD2 3.47Å; D821-L824 PolarHBondContact O-N 3.08Å; D821-F825 PolarHBondContact O-N 3.26Å; D821-F825 VanDerWaalsContact O-N 3.07Å; D821-P834 WeakPolarHBondContact OD1-CG 3.38Å; D821-R896 IonicContact OD1-NH2 3.48Å; D821-R896 IonicContact OD2-NE 3.71Å; D821-L941 HydrophobicContact CB-CD1 4.46Å; D821-F952 HydrophobicContact CB-CE1 4.46Å; D821-F952 HydrophobicContact CB-CZ 4.42Å; D821-F952 WeakPolarHBondContact O-CZ 3.41Å
822	L	84.1	Confident	79.2	Confident	18 Å²	18	65 Å²	65	9%	0.094	37%	0.367	C	S	.	.	H	α-helix	trans	-68.4	-35.8	176.6	-65.1	175.3	0	0	0	112.6	P817 T818 E820 L824 F825 Q932 L936	P817-L822 HydrophobicContact CB-CD2 4.04Å; P817-L822 HydrophobicContact CB-CG 4.19Å; P817-L822 HydrophobicContact CG-CD2 3.92Å; P817-L822 HydrophobicContact CG-CG 4.29Å; T818-L822 PolarHBondContact O-N 3.1Å; T818-L822 VanDerWaalsContact O-N 3.11Å; E820-L822 VanDerWaalsContact C-N 3.28Å; E820-L822 PolarHBondContact O-N 3.45Å; L822-L824 VanDerWaalsContact C-N 3.34Å; L822-F825 WeakPolarHBondContact O-CB 3.41Å; L822-F825 PolarHBondContact O-N 3.49Å; L822-Q932 HydrophobicContact CD1-CG 4.13Å; L822-L936 HydrophobicContact CB-CD1 4.09Å; L822-L936 HydrophobicContact CD2-CB 4.41Å; L822-L936 HydrophobicContact CD2-CD1 4.12Å
823	K	83.1	Confident	78.5	Confident	145 Å²	145	65.4 Å²	65.4	63%	0.63	37%	0.371	S	S	*	.	H	α-helix	trans	-66.2	-36.9	172.5	-72.4	172.3	-176.6	178.6	0	111.6	A819 E820 F825 G826	A819-K823 WeakPolarHBondContact O-CG 3.34Å; A819-K823 PolarHBondContact O-N 3.1Å; E820-K823 WeakPolarHBondContact O-CB 3.31Å; E820-K823 PolarHBondContact O-N 3.49Å; E820-K823 VanDerWaalsContact O-N 3.14Å; K823-F825 VanDerWaalsContact C-N 3.32Å; K823-G826 PolarHBondContact O-N 3.12Å
824	L	79.3	Confident	78.2	Confident	78 Å²	78	66.2 Å²	66.2	41%	0.408	38%	0.377	S	S	.	.	H	α-helix	trans	-67.7	-32.7	176.9	-71.6	171.4	0	0	0	112.5	E820 D821 L822 G826 K827 N831	E820-L824 WeakPolarHBondContact O-CG 3.33Å; E820-L824 PolarHBondContact O-N 3.42Å; D821-L824 PolarHBondContact O-N 3.08Å; L822-L824 VanDerWaalsContact C-N 3.34Å; L824-G826 VanDerWaalsContact C-N 3.34Å; L824-G826 PolarHBondContact O-N 3.49Å; L824-K827 PolarHBondContact O-N 2.87Å; L824-N831 PolarHBondContact O-ND2 3.07Å
825	F	75	Confident	78	Confident	65 Å²	65	71.6 Å²	71.6	29%	0.285	40%	0.402	S	S	.	.	H	α-helix	trans	-62.2	-38	176.7	-178.4	-101.8	0	0	0	112.8	L803 D821 L822 K823 K827 L936 F952	L803-F825 HydrophobicContact CD1-CE2 3.57Å; L803-F825 HydrophobicContact CD1-CZ 3.66Å; D821-F825 PolarHBondContact O-N 3.26Å; D821-F825 VanDerWaalsContact O-N 3.07Å; L822-F825 WeakPolarHBondContact O-CB 3.41Å; L822-F825 PolarHBondContact O-N 3.49Å; K823-F825 VanDerWaalsContact C-N 3.32Å; F825-K827 PolarHBondContact O-N 3.41Å; F825-L936 HydrophobicContact CD1-CD2 3.73Å; F825-L936 HydrophobicContact CE1-CD2 3.75Å; F825-F952 HydrophobicContact CB-CE1 4.16Å; F825-F952 HydrophobicContact CB-CE2 4.45Å; F825-F952 HydrophobicContact CB-CZ 4.05Å; F825-F952 HydrophobicContact CD2-CB 4.26Å; F825-F952 AromaticContact CD2-CD1 3.99Å; F825-F952 HydrophobicContact CD2-CD1 3.99Å; F825-F952 AromaticContact CD2-CD2 3.91Å; F825-F952 HydrophobicContact CD2-CD2 3.91Å; F825-F952 HydrophobicContact CD2-CE1 4.29Å; F825-F952 HydrophobicContact CD2-CE2 4.22Å; F825-F952 AromaticContact CD2-CG 3.79Å; F825-F952 HydrophobicContact CD2-CG 3.79Å; F825-F952 HydrophobicContact CD2-CZ 4.4Å; F825-F952 HydrophobicContact CE2-CB 4.25Å; F825-F952 HydrophobicContact CE2-CG 4.28Å
826	G	63.3	Low	77.9	Confident	69 Å²	69	71.6 Å²	71.6	71%	0.711	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-13.6	-178	0	0	0	0	0	115.7	K823 L824	K823-G826 PolarHBondContact O-N 3.12Å; L824-G826 VanDerWaalsContact C-N 3.34Å; L824-G826 PolarHBondContact O-N 3.49Å
827	K	64.5	Low	77.9	Confident	166 Å²	166	74.2 Å²	74.2	72%	0.722	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-26.3	-170.7	-70.9	179.8	-179.2	-174.3	0	114.5	L824 F825	L824-K827 PolarHBondContact O-N 2.87Å; F825-K827 PolarHBondContact O-N 3.41Å
828	S	57.8	Low	77.7	Confident	41 Å²	41	78 Å²	78	29%	0.287	44%	0.443	S	S	.	.			trans	-161.1	141.4	171.4	64.9	0	0	0	0	113.2	E830 N831	S828-E830 PolarHBondContact O-N 3.25Å; S828-N831 PolarHBondContact O-N 3.14Å; S828-N831 PolarHBondContact OG-ND2 3.2Å; S828-N831 VanDerWaalsContact OG-ND2 3.13Å; S828-N831 PolarHBondContact OG-OD1 2.94Å
829	P	58.3	Low	77.7	Confident	135 Å²	135	77.4 Å²	77.4	88%	0.877	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-11.7	-179	27.2	-33.5	0	0	0	114.4
830	E	58.3	Low	77.7	Confident	176 Å²	176	82 Å²	82	82%	0.822	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-3.1	-179.4	-61.6	-165.2	158.8	0	0	114	S828 C832	S828-E830 PolarHBondContact O-N 3.25Å; E830-C832 PolarHBondContact O-N 3.29Å
831	N	60.9	Low	77.6	Confident	65 Å²	65	76.4 Å²	76.4	35%	0.348	42%	0.417	S	S	.	.			trans	-62.2	115.7	-176.7	-90.7	-5.7	0	0	0	111.5	L824 S828	L824-N831 PolarHBondContact O-ND2 3.07Å; S828-N831 PolarHBondContact O-N 3.14Å; S828-N831 PolarHBondContact OG-ND2 3.2Å; S828-N831 VanDerWaalsContact OG-ND2 3.13Å; S828-N831 PolarHBondContact OG-OD1 2.94Å
832	C	65.8	Low	77.3	Confident	97 Å²	97	82.4 Å²	82.4	66%	0.655	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-63.5	134.3	161.6	-68.9	0	0	0	0	107.4	E830	E830-C832 PolarHBondContact O-N 3.29Å
833	G	78.4	Confident	77.2	Confident	8 Å²	8	84.3 Å²	84.3	8%	0.082	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-60.9	170.6	-179.9	0	0	0	0	0	112.1	Y950	G833-Y950 CarbonylContact C-O 3.57Å; G833-Y950 WeakPolarHBondContact CA-O 3.4Å; G833-Y950 PolarHBondContact N-O 3.01Å
834	P	88.8	Confident	77.1	Confident	24 Å²	24	82.1 Å²	82.1	16%	0.156	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-61.4	160.9	-174	28.6	-38	0	0	0	112.3	D821 R896 L941 Y950	D821-P834 WeakPolarHBondContact OD1-CG 3.38Å; P834-R896 VanDerWaalsContact CB-NH2 3.28Å; P834-L941 HydrophobicContact CG-CD1 4.41Å; P834-Y950 HydrophobicContact CG-CD2 4.2Å; P834-Y950 HydrophobicContact CG-CG 4.42Å; P834-Y950 WeakPolarHBondContact O-CB 3.29Å; P834-Y950 WeakPolarHBondContact O-CD2 3.5Å; P834-Y950 PolarHBondContact O-N 3.12Å
835	Q	89.9	Confident	77	Confident	112 Å²	112	81.5 Å²	81.5	52%	0.523	44%	0.444	S	S	.	.	B	Isolated β-bridge	trans	-100.5	141.5	174.6	-170.3	176.1	-8.4	0	0	111	R896 L948	Q835-R896 PolarHBondContact O-NH1 3.45Å; Q835-L948 HydrophobicContact CG-CB 3.85Å
836	E	92.8	Very high	77.2	Confident	1 Å²	1	86 Å²	86	1%	0.005	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-78.3	133.3	172.1	-172.1	63.7	-175	0	0	111	H839 S895 R896 L948 Y950	E836-H839 IonicContact OE1-NE2 3.13Å; E836-H839 PolarHBondContact OE1-NE2 2.95Å; E836-S895 VanDerWaalsContact CD-OG 3.25Å; E836-S895 PolarHBondContact OE1-N 2.89Å; E836-S895 PolarHBondContact OE1-OG 2.89Å; E836-S895 VanDerWaalsContact OE2-CB 3.29Å; E836-S895 WeakPolarHBondContact OE2-CB 3.16Å; E836-S895 PolarHBondContact OE2-OG 3.3Å; E836-S895 VanDerWaalsContact OE2-OG 3.14Å; E836-R896 IonicContact OE2-NH1 2.87Å; E836-R896 PolarHBondContact OE2-NH1 2.7Å; E836-L948 HydrophobicContact CB-CB 4.45Å; E836-L948 HydrophobicContact CB-CD2 4.26Å; E836-L948 WeakPolarHBondContact CB-O 3.35Å; E836-L948 PolarHBondContact N-O 3.47Å; E836-Y950 HydrophobicContact CB-CE2 3.7Å; E836-Y950 HydrophobicContact CG-CE2 4.37Å; E836-Y950 VanDerWaalsContact OE2-CE2 3.26Å; E836-Y950 WeakPolarHBondContact OE2-CE2 3.48Å; E836-Y950 PolarHBondContact OE2-OH 3.13Å; E836-Y950 VanDerWaalsContact OE2-OH 3.06Å
837	P	91.7	Very high	78	Confident	69 Å²	69	83.6 Å²	83.6	45%	0.448	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-63.8	142.3	171	26.9	-35.2	0	0	0	111.4	H839 S895	P837-H839 PolarHBondContact O-CD2 3.02Å; P837-H839 PolarHBondContact O-N 3.29Å; P837-S895 WeakPolarHBondContact CD-OG 3.47Å; P837-S895 WeakPolarHBondContact CG-OG 3.39Å
838	P	89.6	Confident	78.6	Confident	98 Å²	98	79 Å²	79	64%	0.636	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-69.8	132.3	179.1	28.6	-33.7	0	0	0	111.4
839	H	89.5	Confident	79.3	Confident	42 Å²	42	83.7 Å²	83.7	19%	0.194	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-80.3	151.2	179.9	-71.2	-96.5	0	0	0	111.8	I680 K681 G683 E836 P837 H893	I680-H839 VanDerWaalsContact O-CB 3.32Å; I680-H839 WeakPolarHBondContact O-CB 3.19Å; K681-H839 PolarHBondContact O-N 3.25Å; G683-H839 VanDerWaalsContact CA-CD2 3.48Å; G683-H839 WeakPolarHBondContact CA-CD2 3.38Å; E836-H839 IonicContact OE1-NE2 3.13Å; E836-H839 PolarHBondContact OE1-NE2 2.95Å; P837-H839 PolarHBondContact O-CD2 3.02Å; P837-H839 PolarHBondContact O-N 3.29Å; H839-H893 AromaticContact CE1-CE1 3.54Å; H839-H893 AromaticContact CE1-ND1 3.92Å; H839-H893 PolarHBondContact CE1-O 3.23Å; H839-H893 VanDerWaalsContact CE1-O 3.23Å; H839-H893 AromaticContact CG-CE1 3.93Å; H839-H893 AromaticContact ND1-CE1 3.45Å; H839-H893 PolarHBondContact ND1-CE1 3.44Å; H839-H893 AromaticContact ND1-NE2 3.92Å
840	K	86.1	Confident	79.8	Confident	165 Å²	165	81.9 Å²	81.9	72%	0.717	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-81.6	131.4	179.1	-69.4	-177	-178.1	177.1	0	110.8	H842	K840-H842 PolarHBondContact O-CD2 3.34Å; K840-H842 PolarHBondContact O-N 3.08Å
841	D	84.3	Confident	80.3	Confident	26 Å²	26	79.6 Å²	79.6	14%	0.139	40%	0.396	C	S	.	.			trans	-94.3	90	179.1	-176.2	-10.1	0	0	0	110.5	N678 I680 K681 Y843 K844	N678-D841 PolarHBondContact ND2-OD2 3.45Å; I680-D841 HydrophobicContact CG2-CB 3.95Å; K681-D841 HydrophobicContact CG-CB 4.36Å; D841-Y843 VanDerWaalsContact C-N 3.27Å; D841-Y843 PolarHBondContact O-N 2.78Å; D841-Y843 PolarHBondContact OD1-N 3.19Å; D841-K844 PolarHBondContact OD1-N 2.97Å
842	H	82.1	Confident	80.7	Confident	131 Å²	131	83.8 Å²	83.8	61%	0.606	41%	0.411	S	S	*	.	S	Bend	trans	-72.9	-18.2	179.4	-62.7	-79.6	0	0	0	113.2	K840 S845	K840-H842 PolarHBondContact O-CD2 3.34Å; K840-H842 PolarHBondContact O-N 3.08Å; H842-S845 PolarHBondContact O-OG 3.25Å
843	Y	81.7	Confident	80.6	Confident	58 Å²	58	82.4 Å²	82.4	23%	0.227	40%	0.403	C	S	.	.	H	α-helix	trans	-86.7	-22.4	-175.4	-58.5	-78.3	0	0	0	112.9	I680 D841 S845 R846 I847 W883 P884	I680-Y843 HydrophobicContact CD1-CD2 4Å; D841-Y843 VanDerWaalsContact C-N 3.27Å; D841-Y843 PolarHBondContact O-N 2.78Å; D841-Y843 PolarHBondContact OD1-N 3.19Å; Y843-S845 VanDerWaalsContact C-N 3.34Å; Y843-S845 PolarHBondContact O-N 2.93Å; Y843-R846 PolarHBondContact O-N 3.35Å; Y843-I847 WeakPolarHBondContact O-CG1 3.44Å; Y843-I847 PolarHBondContact O-N 3.39Å; Y843-W883 AromaticContact CE2-CE3 3.84Å; Y843-W883 HydrophobicContact CE2-CE3 3.84Å; Y843-W883 AromaticContact CE2-CZ3 3.8Å; Y843-W883 HydrophobicContact CE2-CZ3 3.8Å; Y843-P884 HydrophobicContact CD1-CG 4.41Å; Y843-P884 HydrophobicContact CE1-CG 3.75Å; Y843-P884 HydrophobicContact CE2-CG 4.47Å
844	K	80.7	Confident	79.9	Confident	99 Å²	99	85.9 Å²	85.9	43%	0.43	43%	0.425	S	S	.	.	H	α-helix	trans	-57.4	-41.7	179.2	-177	176.6	179.4	-167.3	0	113.5	D841 N848 L880	D841-K844 PolarHBondContact OD1-N 2.97Å; K844-N848 WeakPolarHBondContact O-CB 3.5Å; K844-N848 VanDerWaalsContact O-CG 3.25Å; K844-N848 PolarHBondContact O-N 3.18Å; K844-N848 VanDerWaalsContact O-N 3.16Å; K844-N848 PolarHBondContact O-ND2 3.06Å; K844-L880 HydrophobicContact CB-CD1 4.14Å; K844-L880 HydrophobicContact CG-CD1 3.89Å
845	S	77.8	Confident	78.6	Confident	65 Å²	65	93.4 Å²	93.4	46%	0.455	46%	0.456	S	S	.	.	H	α-helix	trans	-64.8	-49.1	177.1	54.5	0	0	0	0	110.5	H842 Y843 I847 N848 H849	H842-S845 PolarHBondContact O-OG 3.25Å; Y843-S845 VanDerWaalsContact C-N 3.34Å; Y843-S845 PolarHBondContact O-N 2.93Å; S845-I847 VanDerWaalsContact C-N 3.34Å; S845-I847 PolarHBondContact O-N 3.39Å; S845-N848 PolarHBondContact O-N 3.02Å; S845-N848 VanDerWaalsContact O-N 3.1Å; S845-H849 PolarHBondContact O-CD2 3.14Å; S845-H849 PolarHBondContact O-N 3.4Å
846	R	79.6	Confident	76.9	Confident	159 Å²	159	93.4 Å²	93.4	60%	0.6	46%	0.464	S	S	*	.	H	α-helix	trans	-54.9	-46.2	178.8	-62.7	-179.3	73.1	-178.6	2.5	112.2	Y843 N848 H849 K850	Y843-R846 PolarHBondContact O-N 3.35Å; R846-N848 PolarHBondContact O-N 2.98Å; R846-H849 PolarHBondContact O-N 3.13Å; R846-K850 PolarHBondContact O-N 2.89Å; R846-K850 VanDerWaalsContact O-N 3.13Å
847	I	79.8	Confident	74.8	Confident	18 Å²	18	97.1 Å²	97.1	9%	0.092	49%	0.494	C	S	.	.	H	α-helix	trans	-65.3	-40.5	178.6	-64.9	167.6	0	0	0	111.5	Y843 S845 K851 L878 L880	Y843-I847 WeakPolarHBondContact O-CG1 3.44Å; Y843-I847 PolarHBondContact O-N 3.39Å; S845-I847 VanDerWaalsContact C-N 3.34Å; S845-I847 PolarHBondContact O-N 3.39Å; I847-K851 PolarHBondContact O-N 3.33Å; I847-K851 VanDerWaalsContact O-N 3.1Å; I847-L878 HydrophobicContact CD1-CB 4.17Å; I847-L878 HydrophobicContact CG1-CB 4.04Å; I847-L880 HydrophobicContact CD1-CB 4.26Å; I847-L880 HydrophobicContact CD1-CD1 4.36Å
848	N	76.2	Confident	72.4	Confident	71 Å²	71	99.3 Å²	99.3	38%	0.38	51%	0.507	S	S	.	.	H	α-helix	trans	-70.9	-38.3	-179.7	-74.5	-17.9	0	0	0	112.6	K844 S845 R846 K851 K852	K844-N848 WeakPolarHBondContact O-CB 3.5Å; K844-N848 VanDerWaalsContact O-CG 3.25Å; K844-N848 PolarHBondContact O-N 3.18Å; K844-N848 VanDerWaalsContact O-N 3.16Å; K844-N848 PolarHBondContact O-ND2 3.06Å; S845-N848 PolarHBondContact O-N 3.02Å; S845-N848 VanDerWaalsContact O-N 3.1Å; R846-N848 PolarHBondContact O-N 2.98Å; N848-K851 PolarHBondContact O-N 2.92Å; N848-K852 WeakPolarHBondContact O-CG 3.45Å; N848-K852 PolarHBondContact O-N 3.11Å
849	H	72.6	Confident	70.3	Confident	138 Å²	138	100.9 Å²	100.9	64%	0.639	52%	0.517	S	S	*	.	H	α-helix	trans	-62.1	-44.7	173.7	-82.1	-78.8	0	0	0	111.2	S845 R846 K851 K852 S853	S845-H849 PolarHBondContact O-CD2 3.14Å; S845-H849 PolarHBondContact O-N 3.4Å; R846-H849 PolarHBondContact O-N 3.13Å; H849-K851 PolarHBondContact O-N 3.11Å; H849-K852 WeakPolarHBondContact O-CB 3.43Å; H849-K852 PolarHBondContact O-N 3.1Å; H849-K852 VanDerWaalsContact O-N 3.1Å; H849-S853 PolarHBondContact O-N 3.19Å; H849-S853 PolarHBondContact O-OG 2.96Å
850	K	68.4	Low	67.9	Low	98 Å²	98	103.3 Å²	103.3	43%	0.426	54%	0.539	S	S	.	.	H	α-helix	trans	-64.3	-38.9	178.2	-166.6	173.9	177.9	176.7	0	113.2	R846 K852 S853 S854 P875	R846-K850 PolarHBondContact O-N 2.89Å; R846-K850 VanDerWaalsContact O-N 3.13Å; K850-K852 PolarHBondContact O-N 3.22Å; K850-S853 WeakPolarHBondContact CA-OG 3.44Å; K850-S853 PolarHBondContact O-N 3.47Å; K850-S853 PolarHBondContact O-OG 3.24Å; K850-S853 VanDerWaalsContact O-OG 3.07Å; K850-S854 VanDerWaalsContact O-CB 3.29Å; K850-S854 WeakPolarHBondContact O-CB 3.44Å; K850-S854 PolarHBondContact O-N 3.4Å; K850-S854 PolarHBondContact O-OG 2.77Å; K850-P875 PolarHBondContact NZ-O 3.49Å
851	K	70.1	Confident	65.6	Low	128 Å²	128	104.5 Å²	104.5	56%	0.557	55%	0.546	S	S	*	.	H	α-helix	trans	-65.9	-25.8	174.1	-80.3	-174.5	178.5	-178.7	0	113.6	I847 N848 H849 S854 K855	I847-K851 PolarHBondContact O-N 3.33Å; I847-K851 VanDerWaalsContact O-N 3.1Å; N848-K851 PolarHBondContact O-N 2.92Å; H849-K851 PolarHBondContact O-N 3.11Å; K851-S854 PolarHBondContact O-OG 3.36Å; K851-K855 VanDerWaalsContact O-CG 3.31Å; K851-K855 WeakPolarHBondContact O-CG 3.5Å
852	K	68.8	Low	63.5	Low	153 Å²	153	109.5 Å²	109.5	67%	0.665	58%	0.578	S	S	*	*	H	α-helix	trans	-79.4	-45.5	174.8	-74.8	-178.4	177	-174.3	0	110.6	N848 H849 K850 K855 T856	N848-K852 WeakPolarHBondContact O-CG 3.45Å; N848-K852 PolarHBondContact O-N 3.11Å; H849-K852 WeakPolarHBondContact O-CB 3.43Å; H849-K852 PolarHBondContact O-N 3.1Å; H849-K852 VanDerWaalsContact O-N 3.1Å; K850-K852 PolarHBondContact O-N 3.22Å; K852-K855 PolarHBondContact O-N 3.31Å; K852-T856 PolarHBondContact O-N 3.36Å; K852-T856 PolarHBondContact O-OG1 3.41Å
853	S	63.1	Low	61.2	Low	68 Å²	68	108.3 Å²	108.3	48%	0.476	58%	0.584	S	S	.	*	H	α-helix	trans	-65.6	-38.8	177.2	64.1	0	0	0	0	112.7	H849 K850 K855 T856 A857	H849-S853 PolarHBondContact O-N 3.19Å; H849-S853 PolarHBondContact O-OG 2.96Å; K850-S853 WeakPolarHBondContact CA-OG 3.44Å; K850-S853 PolarHBondContact O-N 3.47Å; K850-S853 PolarHBondContact O-OG 3.24Å; K850-S853 VanDerWaalsContact O-OG 3.07Å; S853-K855 PolarHBondContact O-N 3.16Å; S853-T856 WeakPolarHBondContact CA-OG1 3.49Å; S853-T856 PolarHBondContact O-N 3.11Å; S853-T856 VanDerWaalsContact O-N 3.14Å; S853-T856 PolarHBondContact O-OG1 3.27Å; S853-A857 PolarHBondContact O-N 3.02Å
854	S	63.4	Low	59.1	Low	80 Å²	80	112.6 Å²	112.6	56%	0.559	61%	0.611	S	S	*	*	H	α-helix	trans	-68.7	-18	177.1	77.6	0	0	0	0	114	K850 K851	K850-S854 VanDerWaalsContact O-CB 3.29Å; K850-S854 WeakPolarHBondContact O-CB 3.44Å; K850-S854 PolarHBondContact O-N 3.4Å; K850-S854 PolarHBondContact O-OG 2.77Å; K851-S854 PolarHBondContact O-OG 3.36Å
855	K	62.6	Low	56.7	Low	183 Å²	183	114.5 Å²	114.5	80%	0.796	63%	0.626	S	S	*	*	H	α-helix	trans	-89	-15.9	174.9	-79	-177.9	177.2	-169.6	0	113	K851 K852 S853	K851-K855 VanDerWaalsContact O-CG 3.31Å; K851-K855 WeakPolarHBondContact O-CG 3.5Å; K852-K855 PolarHBondContact O-N 3.31Å; S853-K855 PolarHBondContact O-N 3.16Å
856	T	54.4	Low	54.9	Low	112 Å²	112	117.4 Å²	117.4	69%	0.687	64%	0.643	S	S	*	*	H	α-helix	trans	-102.2	-7.8	-178.5	22.6	0	0	0	0	113	K852 S853 T858	K852-T856 PolarHBondContact O-N 3.36Å; K852-T856 PolarHBondContact O-OG1 3.41Å; S853-T856 WeakPolarHBondContact CA-OG1 3.49Å; S853-T856 PolarHBondContact O-N 3.11Å; S853-T856 VanDerWaalsContact O-N 3.14Å; S853-T856 PolarHBondContact O-OG1 3.27Å; T856-T858 PolarHBondContact O-N 3.43Å
857	A	47.5	Very low	52.8	Low	78 Å²	78	116.1 Å²	116.1	65%	0.645	65%	0.653	S	S	*	*			trans	-78.6	108.4	172.4	0	0	0	0	0	111.2	S853	S853-A857 PolarHBondContact O-N 3.02Å
858	T	43.1	Very low	50.4	Low	116 Å²	116	119.4 Å²	119.4	71%	0.712	68%	0.683	S	S	*	*			trans	-67.3	143.4	163.6	-15.9	0	0	0	0	109.2	T856 S860	T856-T858 PolarHBondContact O-N 3.43Å; T858-S860 PolarHBondContact O-N 3.27Å
859	P	44.2	Very low	48.2	Very low	131 Å²	131	121.2 Å²	121.2	85%	0.851	70%	0.701	S	S	*	*	S	Bend	trans	-78.1	86.4	-179	31.9	-31.8	0	0	0	109.7
860	S	38.9	Very low	46.2	Very low	93 Å²	93	121.1 Å²	121.1	65%	0.65	71%	0.711	S	S	*	*			trans	-137.8	122.3	175.2	-47.3	0	0	0	0	110.7	T858	T858-S860 PolarHBondContact O-N 3.27Å
861	Q	38	Very low	44.4	Very low	189 Å²	189	122.5 Å²	122.5	88%	0.883	72%	0.722	S	S	*	*			trans	74.6	103.9	162.8	-64.8	-176.1	-32.9	0	0	118.3
862	V	40.7	Very low	42.7	Very low	132 Å²	132	121.9 Å²	121.9	80%	0.8	73%	0.732	S	S	*	*			trans	-65.1	118.7	152.6	177.6	0	0	0	0	107.2
863	S	32.7	Very low	41.3	Very low	105 Å²	105	121 Å²	121	73%	0.734	73%	0.73	S	S	*	*			trans	-114.8	115	160	54.3	0	0	0	0	107.5	D865	S863-D865 PolarHBondContact O-N 2.67Å
864	D	37.5	Very low	39.9	Very low	148 Å²	148	121.6 Å²	121.6	79%	0.791	73%	0.733	S	S	*	*			trans	-69.7	111.6	169.8	-75.7	-43	0	0	0	109.3
865	D	31.1	Very low	39.1	Very low	140 Å²	140	121.2 Å²	121.2	75%	0.749	73%	0.729	S	S	*	*			trans	-131.4	113.2	161.1	-99.1	-29.3	0	0	0	108.5	S863 T867	S863-D865 PolarHBondContact O-N 2.67Å; D865-T867 PolarHBondContact O-N 3.17Å
866	P	39.3	Very low	38.3	Very low	125 Å²	125	116.9 Å²	116.9	81%	0.812	72%	0.722	S	S	*	*			trans	-92.9	23.4	-172.1	35.6	-33.7	0	0	0	114.2
867	T	35.7	Very low	38.4	Very low	133 Å²	133	117.7 Å²	117.7	82%	0.816	72%	0.722	S	S	*	*			trans	-133	65.5	-179.6	42.4	0	0	0	0	112.5	D865	D865-T867 PolarHBondContact O-N 3.17Å
868	A	30.1	Very low	39.6	Very low	86 Å²	86	116.5 Å²	116.5	71%	0.711	71%	0.705	S	S	*	*	S	Bend	trans	-127	115.6	155	0	0	0	0	0	107.6	T870	A868-T870 PolarHBondContact O-N 3.39Å
869	S	30.5	Very low	41.4	Very low	109 Å²	109	112.8 Å²	112.8	76%	0.762	68%	0.68	S	S	*	*			trans	-43.3	123.4	170.8	46.5	0	0	0	0	110.1	D871	S869-D871 VanDerWaalsContact C-N 3.32Å; S869-D871 PolarHBondContact O-N 3.43Å
870	T	29.6	Very low	43.2	Very low	137 Å²	137	108.4 Å²	108.4	84%	0.84	65%	0.649	S	S	*	*			trans	-68.6	90.6	178.6	-29.6	0	0	0	0	108.1	A868	A868-T870 PolarHBondContact O-N 3.39Å
871	D	30.3	Very low	45.1	Very low	126 Å²	126	104 Å²	104	67%	0.674	62%	0.619	S	S	*	*			trans	-55.1	129.5	164.5	-87.6	-25.4	0	0	0	108	S869 H873	S869-D871 VanDerWaalsContact C-N 3.32Å; S869-D871 PolarHBondContact O-N 3.43Å; D871-H873 PolarHBondContact O-N 2.89Å
872	P	35.5	Very low	47.4	Very low	116 Å²	116	96 Å²	96	75%	0.753	58%	0.582	S	S	*	*	S	Bend	trans	-62.6	-11.6	-178.4	-19.9	30.6	0	0	0	113.7	S874	P872-S874 VanDerWaalsContact C-N 3.34Å; P872-S874 PolarHBondContact O-N 2.81Å; P872-S874 VanDerWaalsContact O-N 3.13Å
873	H	38.4	Very low	49.4	Very low	135 Å²	135	91.8 Å²	91.8	63%	0.625	55%	0.552	S	S	*	*			trans	-88.3	63.8	-176.7	-62.6	-56.2	0	0	0	112.4	D871 P875	D871-H873 PolarHBondContact O-N 2.89Å; H873-P875 WeakPolarHBondContact O-CD 3.29Å
874	S	35.2	Very low	51.8	Low	79 Å²	79	88.4 Å²	88.4	55%	0.552	53%	0.527	S	S	*	.			trans	-62.3	117.9	168.9	76.4	0	0	0	0	110	P872 S876	P872-S874 VanDerWaalsContact C-N 3.34Å; P872-S874 PolarHBondContact O-N 2.81Å; P872-S874 VanDerWaalsContact O-N 3.13Å; S874-S876 PolarHBondContact O-N 3.24Å
875	P	45.7	Very low	53.8	Low	73 Å²	73	86.1 Å²	86.1	47%	0.474	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	31.9	-169.1	29.1	-29.5	0	0	0	113.7	K850 H873	K850-P875 PolarHBondContact NZ-O 3.49Å; H873-P875 WeakPolarHBondContact O-CD 3.29Å
876	S	46.4	Very low	56.1	Low	92 Å²	92	84.1 Å²	84.1	64%	0.643	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-23.4	-174.1	-45.9	0	0	0	0	113.2	S874	S874-S876 PolarHBondContact O-N 3.24Å
877	D	56.8	Low	58.2	Low	128 Å²	128	79.1 Å²	79.1	68%	0.684	48%	0.476	S	S	*	.			trans	-103.2	7	-167.3	-73.5	-33.7	0	0	0	115.6	I879	D877-I879 PolarHBondContact O-N 3.11Å
878	L	71.6	Confident	60.5	Low	54 Å²	54	75.2 Å²	75.2	28%	0.283	45%	0.453	S	S	.	.			trans	-71.1	100.9	-178.3	-65.4	176.9	0	0	0	112.4	I847 P884	I847-L878 HydrophobicContact CD1-CB 4.17Å; I847-L878 HydrophobicContact CG1-CB 4.04Å; L878-P884 HydrophobicContact CD2-CB 3.68Å; L878-P884 HydrophobicContact CD2-CG 4.28Å
879	I	81.1	Confident	63.1	Low	38 Å²	38	73.3 Å²	73.3	20%	0.195	43%	0.434	C	S	.	.			trans	-91.4	122.5	173.9	-58.5	170.5	0	0	0	109.5	L665 F668 D877 G881 L882	L665-I879 HydrophobicContact CD1-CD1 3.78Å; F668-I879 HydrophobicContact CD1-CG2 4.35Å; F668-I879 HydrophobicContact CE1-CG2 3.83Å; D877-I879 PolarHBondContact O-N 3.11Å; I879-G881 PolarHBondContact O-N 3.46Å; I879-L882 HydrophobicContact CB-CB 4.42Å; I879-L882 HydrophobicContact CB-CD1 3.94Å; I879-L882 HydrophobicContact CD1-CD1 4.07Å; I879-L882 HydrophobicContact CG2-CD1 3.83Å; I879-L882 HydrophobicContact CG2-CG 4.43Å; I879-L882 PolarHBondContact O-N 3.42Å
880	L	81.9	Confident	65.7	Low	39 Å²	39	68.3 Å²	68.3	20%	0.204	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	124.2	178.7	178.3	72.4	0	0	0	111.4	P673 R676 K844 I847	P673-L880 HydrophobicContact CB-CD2 4.1Å; R676-L880 PolarHBondContact NH1-O 3.33Å; R676-L880 PolarHBondContact NH2-O 2.96Å; K844-L880 HydrophobicContact CB-CD1 4.14Å; K844-L880 HydrophobicContact CG-CD1 3.89Å; I847-L880 HydrophobicContact CD1-CB 4.26Å; I847-L880 HydrophobicContact CD1-CD1 4.36Å
881	G	80	Confident	68.4	Low	1 Å²	1	62.1 Å²	62.1	1%	0.01	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	11.9	176.9	0	0	0	0	0	115.5	N678 Y679 I879	N678-G881 WeakPolarHBondContact OD1-CA 3.37Å; Y679-G881 PolarHBondContact N-O 3.32Å; I879-G881 PolarHBondContact O-N 3.46Å
882	L	86.1	Confident	70.9	Confident	21 Å²	21	60.2 Å²	60.2	11%	0.11	36%	0.358	C	S	.	.	S	Bend	trans	-120.9	149	166.4	-69.5	171.7	0	0	0	109.6	L665 F668 Y679 I680 P687 F688 I879	L665-L882 HydrophobicContact CD1-CD1 4.09Å; F668-L882 HydrophobicContact CD1-CD1 3.8Å; F668-L882 HydrophobicContact CD1-CG 4.37Å; F668-L882 HydrophobicContact CE1-CD1 3.43Å; F668-L882 VanDerWaalsContact CE1-CD1 3.43Å; F668-L882 HydrophobicContact CE1-CD2 4.19Å; F668-L882 HydrophobicContact CE1-CG 3.58Å; F668-L882 HydrophobicContact CZ-CD1 4.14Å; F668-L882 HydrophobicContact CZ-CD2 4.06Å; F668-L882 HydrophobicContact CZ-CG 3.8Å; Y679-L882 HydrophobicContact CD2-CD2 3.6Å; Y679-L882 HydrophobicContact CE2-CD2 4.22Å; I680-L882 WeakPolarHBondContact CD1-O 3.48Å; P687-L882 HydrophobicContact CG-CD2 3.71Å; F688-L882 HydrophobicContact CD2-CD2 4.32Å; F688-L882 HydrophobicContact CE2-CD1 3.69Å; F688-L882 HydrophobicContact CE2-CD2 3.47Å; F688-L882 VanDerWaalsContact CE2-CD2 3.47Å; F688-L882 HydrophobicContact CE2-CG 4.24Å; F688-L882 HydrophobicContact CZ-CD1 4.43Å; F688-L882 HydrophobicContact CZ-CD2 3.92Å; I879-L882 HydrophobicContact CB-CB 4.42Å; I879-L882 HydrophobicContact CB-CD1 3.94Å; I879-L882 HydrophobicContact CD1-CD1 4.07Å; I879-L882 HydrophobicContact CG2-CD1 3.83Å; I879-L882 HydrophobicContact CG2-CG 4.43Å; I879-L882 PolarHBondContact O-N 3.42Å
883	W	82.8	Confident	73.2	Confident	42 Å²	42	56.4 Å²	56.4	16%	0.159	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-72.1	141.6	174	-66.5	92.1	0	0	0	110.6	I680 C684 L685 Y843 L887 P888 H893	I680-W883 HydrophobicContact CB-CZ2 4.23Å; I680-W883 HydrophobicContact CG1-CD2 4.09Å; I680-W883 HydrophobicContact CG1-CG 4.21Å; I680-W883 HydrophobicContact CG1-CZ2 4.38Å; I680-W883 HydrophobicContact CG2-CH2 4.1Å; I680-W883 HydrophobicContact CG2-CZ2 3.7Å; C684-W883 VanDerWaalsContact O-CD1 3.25Å; C684-W883 PolarHBondContact O-NE1 3.43Å; L685-W883 HydrophobicContact CD2-CD2 3.79Å; L685-W883 HydrophobicContact CD2-CE3 4.35Å; L685-W883 HydrophobicContact CD2-CG 4.04Å; L685-W883 HydrophobicContact CD2-CZ2 4.02Å; Y843-W883 AromaticContact CE2-CE3 3.84Å; Y843-W883 HydrophobicContact CE2-CE3 3.84Å; Y843-W883 AromaticContact CE2-CZ3 3.8Å; Y843-W883 HydrophobicContact CE2-CZ3 3.8Å; W883-L887 HydrophobicContact CB-CD2 4.05Å; W883-P888 HydrophobicContact CE3-CG 4.22Å; W883-P888 HydrophobicContact CZ3-CG 4.3Å; W883-H893 AromaticContact CH2-NE2 3.26Å; W883-H893 VanDerWaalsContact CH2-NE2 3.26Å; W883-H893 WeakPolarHBondContact CH2-NE2 3.48Å; W883-H893 AromaticContact CZ2-CE1 3.78Å; W883-H893 AromaticContact CZ2-NE2 3.14Å; W883-H893 WeakPolarHBondContact CZ2-NE2 3.35Å
884	P	82.3	Confident	75.6	Confident	34 Å²	34	50.6 Å²	50.6	22%	0.221	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-68.9	155.7	167.6	28.8	-31.6	0	0	0	111.1	Y843 L878 P886	Y843-P884 HydrophobicContact CD1-CG 4.41Å; Y843-P884 HydrophobicContact CE1-CG 3.75Å; Y843-P884 HydrophobicContact CE2-CG 4.47Å; L878-P884 HydrophobicContact CD2-CB 3.68Å; L878-P884 HydrophobicContact CD2-CG 4.28Å; P884-P886 CarbonylContact O-C 3.55Å
885	D	80.3	Confident	78.1	Confident	101 Å²	101	50.1 Å²	50.1	54%	0.54	30%	0.301	S	S	.	.	S	Bend	trans	-87.8	143	165.3	-73.2	-36.1	0	0	0	110	R689	R689-D885 IonicContact CZ-OD1 3.45Å; R689-D885 IonicContact NH2-OD1 2.62Å; R689-D885 PolarHBondContact NH2-OD1 2.94Å; R689-D885 IonicContact NH2-OD2 2.87Å; R689-D885 PolarHBondContact NH2-OD2 3.39Å
886	P	79.7	Confident	80.3	Confident	97 Å²	97	48.3 Å²	48.3	63%	0.63	28%	0.284	S	S	*	.	S	Bend	cis	-72.8	150.8	-2.5	31.1	-35.1	0	0	0	113.3	P884	P884-P886 CarbonylContact O-C 3.55Å
887	L	83	Confident	82.4	Confident	20 Å²	20	46.8 Å²	46.8	11%	0.105	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-67.6	145.7	178.3	-63.2	175.8	0	0	0	111.3	A686 P691 W883	A686-L887 HydrophobicContact CB-CD1 4.03Å; P691-L887 HydrophobicContact CB-CD1 4.32Å; P691-L887 HydrophobicContact CG-CD1 4.36Å; W883-L887 HydrophobicContact CB-CD2 4.05Å
888	P	83.8	Confident	84.2	Confident	51 Å²	51	40.9 Å²	40.9	33%	0.331	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-69	169.6	168.6	33.1	-37.2	0	0	0	111.1	L685 W883 V890	L685-P888 HydrophobicContact CD1-CG 4.18Å; L685-P888 HydrophobicContact CD2-CG 3.47Å; L685-P888 VanDerWaalsContact CD2-CG 3.47Å; L685-P888 HydrophobicContact CG-CG 4.46Å; W883-P888 HydrophobicContact CE3-CG 4.22Å; W883-P888 HydrophobicContact CZ3-CG 4.3Å; P888-V890 PolarHBondContact O-N 2.88Å
889	S	84.9	Confident	85.2	Confident	46 Å²	46	38.3 Å²	38.3	32%	0.322	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-50.8	125.8	-178.9	163.9	0	0	0	0	112	E698 T891 S892 H893	E698-S889 VanDerWaalsContact OE1-CA 3.28Å; E698-S889 WeakPolarHBondContact OE1-CA 3.29Å; E698-S889 PolarHBondContact OE2-OG 3.34Å; S889-T891 PolarHBondContact OG-OG1 2.98Å; S889-S892 VanDerWaalsContact CB-OG 3.25Å; S889-S892 WeakPolarHBondContact CB-OG 3.47Å; S889-S892 PolarHBondContact OG-OG 2.81Å; S889-H893 VanDerWaalsContact O-CB 3.3Å; S889-H893 WeakPolarHBondContact O-CB 3.42Å; S889-H893 PolarHBondContact O-N 3.42Å
890	V	85.6	Confident	85.8	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.024	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-29.3	-169.5	-171	0	0	0	0	112.5	L685 P691 Q694 E698 P888 T898 W901	L685-V890 HydrophobicContact CD1-CB 4.31Å; L685-V890 HydrophobicContact CD1-CG1 4.26Å; L685-V890 HydrophobicContact CD1-CG2 4.22Å; P691-V890 HydrophobicContact CG-CG1 4.31Å; P691-V890 HydrophobicContact CG-CG2 4.27Å; Q694-V890 HydrophobicContact CB-CG2 4.38Å; E698-V890 VanDerWaalsContact CD-N 3.34Å; E698-V890 PolarHBondContact OE1-N 2.96Å; E698-V890 PolarHBondContact OE2-N 2.97Å; P888-V890 PolarHBondContact O-N 2.88Å; V890-T898 PolarHBondContact O-OG1 2.6Å; V890-W901 HydrophobicContact CB-CH2 4.41Å; V890-W901 HydrophobicContact CG1-CH2 3.3Å; V890-W901 HydrophobicContact CG1-CZ2 3.25Å
891	T	84.6	Confident	86.4	Confident	8 Å²	8	34.9 Å²	34.9	5%	0.049	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-38.6	178.2	56.1	0	0	0	0	112.5	L695 E698 W699 L702 S889	L695-T891 HydrophobicContact CD1-CG2 4Å; E698-T891 HydrophobicContact CB-CG2 3.87Å; E698-T891 WeakPolarHBondContact OE2-CB 3.49Å; E698-T891 WeakPolarHBondContact OE2-CG2 3.41Å; E698-T891 PolarHBondContact OE2-N 3.4Å; E698-T891 PolarHBondContact OE2-OG1 3Å; W699-T891 HydrophobicContact CG-CG2 4.38Å; L702-T891 HydrophobicContact CD1-CG2 4.39Å; S889-T891 PolarHBondContact OG-OG1 2.98Å
892	S	83.7	Confident	87	Confident	86 Å²	86	34.8 Å²	34.8	60%	0.601	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-12.9	-171	67.2	0	0	0	0	115.3	S889 C894	S889-S892 VanDerWaalsContact CB-OG 3.25Å; S889-S892 WeakPolarHBondContact CB-OG 3.47Å; S889-S892 PolarHBondContact OG-OG 2.81Å; S892-C894 PolarHBondContact O-N 3.47Å
893	H	84.4	Confident	87.3	Confident	36 Å²	36	34.9 Å²	34.9	17%	0.167	21%	0.209	C	C	.	.	S	Bend	trans	-66	-39.1	-172.8	177.5	-79	0	0	0	114.3	L685 H839 W883 S889	L685-H893 HydrophobicContact CD1-CB 3.83Å; L685-H893 HydrophobicContact CD2-CB 4.49Å; L685-H893 HydrophobicContact CG-CB 4.37Å; H839-H893 AromaticContact CE1-CE1 3.54Å; H839-H893 AromaticContact CE1-ND1 3.92Å; H839-H893 PolarHBondContact CE1-O 3.23Å; H839-H893 VanDerWaalsContact CE1-O 3.23Å; H839-H893 AromaticContact CG-CE1 3.93Å; H839-H893 AromaticContact ND1-CE1 3.45Å; H839-H893 PolarHBondContact ND1-CE1 3.44Å; H839-H893 AromaticContact ND1-NE2 3.92Å; W883-H893 AromaticContact CH2-NE2 3.26Å; W883-H893 VanDerWaalsContact CH2-NE2 3.26Å; W883-H893 WeakPolarHBondContact CH2-NE2 3.48Å; W883-H893 AromaticContact CZ2-CE1 3.78Å; W883-H893 AromaticContact CZ2-NE2 3.14Å; W883-H893 WeakPolarHBondContact CZ2-NE2 3.35Å; S889-H893 VanDerWaalsContact O-CB 3.3Å; S889-H893 WeakPolarHBondContact O-CB 3.42Å; S889-H893 PolarHBondContact O-N 3.42Å
894	C	87.3	Confident	87.6	Confident	13 Å²	13	33.7 Å²	33.7	9%	0.088	21%	0.205	C	C	.	.	S	Bend	trans	-93.4	160.3	-178.3	-64.1	0	0	0	0	111.3	G683 S892 R896 R943	G683-C894 PolarHBondContact O-SG 2.81Å; S892-C894 PolarHBondContact O-N 3.47Å; C894-R896 PolarHBondContact O-N 3.46Å; C894-R896 VanDerWaalsContact O-N 3.07Å; C894-R943 PolarHBondContact SG-NH1 3.35Å; C894-R943 PolarHBondContact SG-NH2 2.94Å
895	S	88.5	Confident	88	Confident	68 Å²	68	32.7 Å²	32.7	48%	0.476	20%	0.202	S	C	.	.	S	Bend	trans	-59.6	-24.4	177.5	-45.7	0	0	0	0	112.9	E836 P837	E836-S895 VanDerWaalsContact CD-OG 3.25Å; E836-S895 PolarHBondContact OE1-N 2.89Å; E836-S895 PolarHBondContact OE1-OG 2.89Å; E836-S895 VanDerWaalsContact OE2-CB 3.29Å; E836-S895 WeakPolarHBondContact OE2-CB 3.16Å; E836-S895 PolarHBondContact OE2-OG 3.3Å; E836-S895 VanDerWaalsContact OE2-OG 3.14Å; P837-S895 WeakPolarHBondContact CD-OG 3.47Å; P837-S895 WeakPolarHBondContact CG-OG 3.39Å
896	R	90.9	Very high	88.6	Confident	35 Å²	35	29 Å²	29	13%	0.132	18%	0.182	C	C	.	.	S	Bend	trans	-115.2	138.8	174	-70.8	75.6	175.4	176.9	10.5	108.9	C815 D821 P834 Q835 E836 C894 T898 L941 Y950	C815-R896 HydrophobicContact CB-CB 3.88Å; D821-R896 IonicContact OD1-NH2 3.48Å; D821-R896 IonicContact OD2-NE 3.71Å; P834-R896 VanDerWaalsContact CB-NH2 3.28Å; Q835-R896 PolarHBondContact O-NH1 3.45Å; E836-R896 IonicContact OE2-NH1 2.87Å; E836-R896 PolarHBondContact OE2-NH1 2.7Å; C894-R896 PolarHBondContact O-N 3.46Å; C894-R896 VanDerWaalsContact O-N 3.07Å; R896-T898 PolarHBondContact O-N 2.93Å; R896-L941 HydrophobicContact CG-CD1 4.23Å; R896-Y950 HydrophobicContact CB-CE1 4.49Å
897	V	92.2	Very high	89.2	Confident	61 Å²	61	28.5 Å²	28.5	37%	0.37	17%	0.17	S	C	.	.			trans	-67	129.8	-177.3	-167.6	0	0	0	0	110.6	W699 C815 A816	W699-V897 HydrophobicContact CH2-CG1 3.69Å; W699-V897 HydrophobicContact CZ2-CB 4.47Å; W699-V897 HydrophobicContact CZ2-CG1 3.41Å; W699-V897 VanDerWaalsContact CZ2-CG1 3.41Å; C815-V897 CarbonylContact C-O 3.57Å; C815-V897 WeakPolarHBondContact CA-O 3.49Å; C815-V897 WeakPolarHBondContact CB-O 3.31Å; A816-V897 PolarHBondContact N-O 2.86Å
898	T	93.1	Very high	89.5	Confident	3 Å²	3	27.5 Å²	27.5	2%	0.018	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	128.2	179.1	-51.3	0	0	0	0	111.1	W699 M813 V890 R896 W901	W699-T898 PolarHBondContact NE1-O 3.45Å; M813-T898 HydrophobicContact CB-CG2 4.44Å; M813-T898 HydrophobicContact CG-CG2 4.46Å; V890-T898 PolarHBondContact O-OG1 2.6Å; R896-T898 PolarHBondContact O-N 2.93Å; T898-W901 HydrophobicContact CG2-CH2 4.34Å; T898-W901 HydrophobicContact CG2-CZ2 3.98Å
899	L	92.8	Very high	89.8	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	-21.7	178.9	-65.9	172.3	0	0	0	113.3	L695 W699 V814 A816 V920 S921 G924 L940	L695-L899 WeakPolarHBondContact CD2-O 3.06Å; W699-L899 HydrophobicContact CH2-CD2 3.93Å; W699-L899 HydrophobicContact CZ2-CD2 3.46Å; W699-L899 VanDerWaalsContact CZ2-CD2 3.46Å; W699-L899 HydrophobicContact CZ2-CG 4.47Å; V814-L899 PolarHBondContact O-N 3.47Å; A816-L899 HydrophobicContact CB-CD1 3.87Å; A816-L899 HydrophobicContact CB-CD2 4.36Å; A816-L899 HydrophobicContact CB-CG 4.09Å; L899-V920 WeakPolarHBondContact O-CA 3.34Å; L899-S921 PolarHBondContact O-N 3.43Å; L899-G924 VanDerWaalsContact CD2-C 3.41Å; L899-G924 WeakPolarHBondContact CD2-O 3.21Å; L899-L940 HydrophobicContact CD1-CD1 4.17Å; L899-L940 HydrophobicContact CD1-CD2 3.67Å
900	G	93.7	Very high	89.8	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.4	-172.3	-173.2	0	0	0	0	0	114.1	V814 F919	V814-G900 PolarHBondContact N-O 3.49Å; V814-G900 PolarHBondContact O-N 3.1Å; G900-F919 VanDerWaalsContact CA-O 3.25Å; G900-F919 WeakPolarHBondContact CA-O 3.28Å
901	W	94.4	Very high	89.8	Confident	4 Å²	4	28.4 Å²	28.4	2%	0.015	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	157.4	179	-66.4	-96.2	0	0	0	112.6	C690 P691 W692 L695 A812 V890 T898 G918 F919	C690-W901 HydrophobicContact CB-CB 4.16Å; C690-W901 HydrophobicContact CB-CD2 4.41Å; C690-W901 HydrophobicContact CB-CE3 4.45Å; C690-W901 HydrophobicContact CB-CG 4.27Å; P691-W901 HydrophobicContact CG-CH2 3.57Å; P691-W901 HydrophobicContact CG-CZ2 3.7Å; P691-W901 HydrophobicContact CG-CZ3 4.13Å; W692-W901 AromaticContact CE3-CE3 3.7Å; W692-W901 HydrophobicContact CE3-CE3 3.7Å; W692-W901 HydrophobicContact CE3-CZ3 4.21Å; W692-W901 HydrophobicContact CH2-CB 3.53Å; W692-W901 HydrophobicContact CH2-CE3 4.24Å; W692-W901 WeakPolarHBondContact CH2-O 3.41Å; W692-W901 HydrophobicContact CZ2-CB 4.33Å; W692-W901 HydrophobicContact CZ3-CB 3.9Å; W692-W901 HydrophobicContact CZ3-CD2 4.37Å; W692-W901 AromaticContact CZ3-CE3 3.55Å; W692-W901 HydrophobicContact CZ3-CE3 3.55Å; W692-W901 HydrophobicContact CZ3-CZ3 4.44Å; L695-W901 HydrophobicContact CB-CH2 3.93Å; L695-W901 HydrophobicContact CB-CZ3 3.66Å; L695-W901 HydrophobicContact CD1-CH2 3.98Å; L695-W901 HydrophobicContact CD1-CZ3 4.09Å; L695-W901 HydrophobicContact CD2-CE3 4.09Å; L695-W901 HydrophobicContact CD2-CH2 4.17Å; L695-W901 HydrophobicContact CD2-CZ3 3.42Å; L695-W901 VanDerWaalsContact CD2-CZ3 3.42Å; L695-W901 HydrophobicContact CG-CH2 4.23Å; L695-W901 HydrophobicContact CG-CZ3 3.89Å; A812-W901 CarbonylContact O-C 3.56Å; A812-W901 VanDerWaalsContact O-CA 3.32Å; A812-W901 WeakPolarHBondContact O-CA 3.4Å; V890-W901 HydrophobicContact CB-CH2 4.41Å; V890-W901 HydrophobicContact CG1-CH2 3.3Å; V890-W901 HydrophobicContact CG1-CZ2 3.25Å; T898-W901 HydrophobicContact CG2-CH2 4.34Å; T898-W901 HydrophobicContact CG2-CZ2 3.98Å; W901-G918 CarbonylContact O-C 3.54Å; W901-G918 VanDerWaalsContact O-CA 3.23Å; W901-G918 WeakPolarHBondContact O-CA 3.38Å; W901-F919 PolarHBondContact N-O 3.35Å; W901-F919 VanDerWaalsContact N-O 3.08Å; W901-F919 PolarHBondContact O-N 3.14Å
902	V	93.9	Very high	90	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	123.9	171.8	172.4	0	0	0	0	109.5	L800 H811 A812 V814 Q904 A916 L917 L942	L800-V902 HydrophobicContact CD1-CG2 4Å; H811-V902 WeakPolarHBondContact CA-O 3.43Å; H811-V902 PolarHBondContact N-O 2.84Å; A812-V902 HydrophobicContact CB-CB 4.08Å; A812-V902 HydrophobicContact CB-CG2 4.1Å; A812-V902 PolarHBondContact O-N 3.48Å; V814-V902 HydrophobicContact CG2-CG2 4.14Å; V902-Q904 VanDerWaalsContact CG1-C 3.42Å; V902-Q904 WeakPolarHBondContact CG1-O 3.2Å; V902-A916 HydrophobicContact CB-CB 4.38Å; V902-A916 HydrophobicContact CG1-CB 3.61Å; V902-A916 HydrophobicContact CG2-CB 3.8Å; V902-L917 WeakPolarHBondContact CG1-O 3.3Å; V902-L942 HydrophobicContact CG2-CD1 3.74Å
903	T	91.2	Very high	90.3	Very high	22 Å²	22	31.5 Å²	31.5	14%	0.135	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-43.9	169.9	58.5	0	0	0	0	110.1	D646 W692 L917 F919	D646-T903 WeakPolarHBondContact OD1-CB 2.97Å; D646-T903 PolarHBondContact OD1-OG1 2.7Å; W692-T903 HydrophobicContact CZ2-CG2 4.09Å; T903-L917 PolarHBondContact N-O 3.31Å; T903-L917 PolarHBondContact OG1-O 3.03Å; T903-F919 HydrophobicContact CG2-CD2 3.77Å; T903-F919 HydrophobicContact CG2-CE2 3.87Å
904	Q	89.2	Confident	90.7	Very high	17 Å²	17	29.9 Å²	29.9	8%	0.079	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	114.2	-176.1	-62.8	-178.9	36	0	0	111.8	L632 D646 V902 A916 L917	L632-Q904 VanDerWaalsContact CD1-NE2 3.3Å; D646-Q904 PolarHBondContact OD1-NE2 3.19Å; D646-Q904 PolarHBondContact OD2-NE2 2.89Å; V902-Q904 VanDerWaalsContact CG1-C 3.42Å; V902-Q904 WeakPolarHBondContact CG1-O 3.2Å; Q904-A916 CarbonylContact O-C 3.58Å; Q904-A916 VanDerWaalsContact O-CA 3.3Å; Q904-A916 WeakPolarHBondContact O-CA 3.2Å; Q904-L917 PolarHBondContact N-O 3.38Å; Q904-L917 VanDerWaalsContact N-O 3.09Å; Q904-L917 PolarHBondContact O-N 3.49Å
905	G	91.4	Very high	90.9	Very high	14 Å²	14	29.6 Å²	29.6	14%	0.144	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.8	173.1	0	0	0	0	0	112	P808	P808-G905 CarbonylContact O-C 3.55Å
906	D	92.6	Very high	91.1	Very high	23 Å²	23	26.4 Å²	26.4	12%	0.123	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	178.8	165.6	-153.3	-3.3	0	0	0	112.4	K633 K807 P808 E915	K633-D906 WeakPolarHBondContact CE-OD2 3.44Å; K633-D906 VanDerWaalsContact NZ-CG 3.34Å; K633-D906 IonicContact NZ-OD2 3.64Å; K633-D906 PolarHBondContact NZ-OD2 2.96Å; K807-D906 WeakPolarHBondContact CE-OD1 3.3Å; K807-D906 IonicContact NZ-OD1 2.72Å; K807-D906 PolarHBondContact NZ-OD1 2.99Å; P808-D906 WeakPolarHBondContact CD-O 3.33Å; D906-E915 PolarHBondContact N-O 2.84Å; D906-E915 PolarHBondContact O-N 3.03Å
907	F	91.9	Very high	91.2	Very high	86 Å²	86	24.9 Å²	24.9	38%	0.377	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	122.9	168.2	-174.2	-90.9	0	0	0	110.9	L909 G912	F907-L909 HydrophobicContact CD1-CD2 4.18Å; F907-L909 HydrophobicContact CE1-CD2 4.15Å; F907-G912 WeakPolarHBondContact CE2-O 3.39Å; F907-G912 WeakPolarHBondContact CZ-O 3.31Å
908	S	89.8	Confident	91.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.			trans	-82.8	124	177.4	176.9	0	0	0	0	110.6	S910 V911 G912 R913 E915	S908-S910 PolarHBondContact OG-N 3.01Å; S908-V911 PolarHBondContact OG-N 3.42Å; S908-G912 WeakPolarHBondContact O-CA 3.31Å; S908-G912 PolarHBondContact O-N 3.12Å; S908-R913 WeakPolarHBondContact CB-O 3.24Å; S908-R913 PolarHBondContact N-O 2.63Å; S908-E915 WeakPolarHBondContact CB-OE2 3.26Å; S908-E915 PolarHBondContact OG-OE2 2.87Å
909	L	89.3	Confident	91.3	Very high	48 Å²	48	22 Å²	22	25%	0.251	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-13.8	173.5	-65.5	179.5	0	0	0	112.4	Y218 R219 Y222 F907	Y218-L909 HydrophobicContact CD1-CD1 4.24Å; Y218-L909 HydrophobicContact CE1-CD1 3.61Å; Y218-L909 HydrophobicContact CE1-CG 4.1Å; R219-L909 HydrophobicContact CG-CD1 4.21Å; Y222-L909 HydrophobicContact CD1-CB 3.82Å; Y222-L909 HydrophobicContact CD1-CD1 3.92Å; Y222-L909 HydrophobicContact CD2-CB 3.94Å; Y222-L909 HydrophobicContact CD2-CD1 4.24Å; Y222-L909 HydrophobicContact CE1-CB 3.76Å; Y222-L909 HydrophobicContact CE2-CB 3.89Å; Y222-L909 HydrophobicContact CG-CB 3.93Å; Y222-L909 HydrophobicContact CG-CD1 3.68Å; Y222-L909 HydrophobicContact CG-CG 4.46Å; F907-L909 HydrophobicContact CD1-CD2 4.18Å; F907-L909 HydrophobicContact CE1-CD2 4.15Å
910	S	85.1	Confident	91.4	Very high	28 Å²	28	22 Å²	22	20%	0.196	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-49.5	178.5	-57.7	0	0	0	0	111.9	Y222 S908	Y222-S910 VanDerWaalsContact CE2-OG 3.3Å; Y222-S910 WeakPolarHBondContact CE2-OG 3.47Å; Y222-S910 WeakPolarHBondContact OH-CA 3.42Å; Y222-S910 WeakPolarHBondContact OH-CB 3.34Å; Y222-S910 PolarHBondContact OH-N 3.33Å; Y222-S910 PolarHBondContact OH-OG 3.44Å; S908-S910 PolarHBondContact OG-N 3.01Å
911	V	85.8	Confident	91.4	Very high	43 Å²	43	22.1 Å²	22.1	26%	0.261	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-24.6	179.9	-176.9	0	0	0	0	111.7	E594 T801 S908 R913 E915	E594-V911 WeakPolarHBondContact OE2-CG2 3.48Å; T801-V911 HydrophobicContact CG2-CG1 4.39Å; S908-V911 PolarHBondContact OG-N 3.42Å; V911-R913 VanDerWaalsContact C-N 3.29Å; V911-R913 HydrophobicContact CG1-CB 4.21Å; V911-R913 HydrophobicContact CG1-CG 4.31Å; V911-E915 WeakPolarHBondContact CG2-OE1 3.23Å
912	G	88.6	Confident	91.3	Very high	44 Å²	44	22 Å²	22	45%	0.454	12%	0.122	S	C	.	.	S	Bend	trans	75.7	18.8	-174.1	0	0	0	0	0	113.4	F907 S908	F907-G912 WeakPolarHBondContact CE2-O 3.39Å; F907-G912 WeakPolarHBondContact CZ-O 3.31Å; S908-G912 WeakPolarHBondContact O-CA 3.31Å; S908-G912 PolarHBondContact O-N 3.12Å
913	R	90.1	Very high	91.2	Very high	116 Å²	116	22.3 Å²	22.3	44%	0.438	13%	0.125	S	C	.	.	S	Bend	trans	-130.8	168.9	176.9	-63.3	-172	-179.3	-170.4	-1.7	110.5	L802 L803 S908 V911	L802-R913 WeakPolarHBondContact O-CD 3.48Å; L803-R913 PolarHBondContact O-NH1 3.33Å; S908-R913 WeakPolarHBondContact CB-O 3.24Å; S908-R913 PolarHBondContact N-O 2.63Å; V911-R913 VanDerWaalsContact C-N 3.29Å; V911-R913 HydrophobicContact CG1-CB 4.21Å; V911-R913 HydrophobicContact CG1-CG 4.31Å
914	G	92.1	Very high	91.1	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	128	171.6	0	0	0	0	0	110.6	L802	L802-G914 WeakPolarHBondContact CB-O 3.28Å; L802-G914 PolarHBondContact N-O 2.66Å
915	E	91.5	Very high	91.3	Very high	7 Å²	7	20.5 Å²	20.5	3%	0.033	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	138.3	178.2	-64.2	-160.8	119.6	0	0	110.7	Q636 R799 L800 T801 P808 D906 S908 V911	Q636-E915 PolarHBondContact NE2-O 2.93Å; R799-E915 IonicContact CZ-OE1 2.86Å; R799-E915 VanDerWaalsContact CZ-OE1 3.28Å; R799-E915 IonicContact NE-OE1 3.24Å; R799-E915 PolarHBondContact NE-OE1 3.49Å; R799-E915 IonicContact NH2-OE1 3.78Å; R799-E915 PolarHBondContact NH2-OE1 3.16Å; R799-E915 IonicContact NH2-OE2 3.31Å; L800-E915 WeakPolarHBondContact O-CA 3.45Å; T801-E915 HydrophobicContact CG2-CG 4.36Å; T801-E915 PolarHBondContact OG1-OE1 2.83Å; P808-E915 WeakPolarHBondContact CG-O 3.22Å; D906-E915 PolarHBondContact N-O 2.84Å; D906-E915 PolarHBondContact O-N 3.03Å; S908-E915 WeakPolarHBondContact CB-OE2 3.26Å; S908-E915 PolarHBondContact OG-OE2 2.87Å; V911-E915 WeakPolarHBondContact CG2-OE1 3.23Å
916	A	93.1	Very high	91.2	Very high	1 Å²	1	20 Å²	20	1%	0.008	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	147.2	178.7	0	0	0	0	0	110.2	L800 P808 V902 Q904 L942	L800-A916 HydrophobicContact CB-CB 4.14Å; L800-A916 PolarHBondContact N-O 2.99Å; L800-A916 PolarHBondContact O-N 3.27Å; P808-A916 HydrophobicContact CB-CB 3.84Å; P808-A916 HydrophobicContact CG-CB 3.84Å; V902-A916 HydrophobicContact CB-CB 4.38Å; V902-A916 HydrophobicContact CG1-CB 3.61Å; V902-A916 HydrophobicContact CG2-CB 3.8Å; Q904-A916 CarbonylContact O-C 3.58Å; Q904-A916 VanDerWaalsContact O-CA 3.3Å; Q904-A916 WeakPolarHBondContact O-CA 3.2Å; A916-L942 HydrophobicContact CB-CD1 4.25Å
917	L	93.1	Very high	91.1	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.021	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.2	170.8	-63.2	170.9	0	0	0	107.6	Q636 W797 R799 V902 T903 Q904	Q636-L917 HydrophobicContact CB-CD1 4.16Å; Q636-L917 HydrophobicContact CG-CD1 3.93Å; W797-L917 HydrophobicContact CH2-CB 3.51Å; W797-L917 HydrophobicContact CH2-CD1 4.23Å; W797-L917 HydrophobicContact CH2-CG 4.34Å; W797-L917 HydrophobicContact CZ2-CB 3.64Å; W797-L917 HydrophobicContact CZ2-CD1 3.84Å; W797-L917 HydrophobicContact CZ2-CD2 3.99Å; W797-L917 HydrophobicContact CZ2-CG 4.03Å; W797-L917 HydrophobicContact CZ3-CB 4.26Å; R799-L917 HydrophobicContact CB-CD2 3.93Å; R799-L917 HydrophobicContact CG-CD2 4.01Å; V902-L917 WeakPolarHBondContact CG1-O 3.3Å; T903-L917 PolarHBondContact N-O 3.31Å; T903-L917 PolarHBondContact OG1-O 3.03Å; Q904-L917 PolarHBondContact N-O 3.38Å; Q904-L917 VanDerWaalsContact N-O 3.09Å; Q904-L917 PolarHBondContact O-N 3.49Å
918	G	93.6	Very high	91	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	-171.6	-173.7	0	0	0	0	0	112.7	V798 W901	V798-G918 WeakPolarHBondContact CG2-O 3.33Å; V798-G918 PolarHBondContact N-O 2.89Å; V798-G918 PolarHBondContact O-N 3.04Å; W901-G918 CarbonylContact O-C 3.54Å; W901-G918 VanDerWaalsContact O-CA 3.23Å; W901-G918 WeakPolarHBondContact O-CA 3.38Å
919	F	94.3	Very high	90.9	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.018	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.8	-177.7	-68.9	-83.8	0	0	0	110	D646 P648 W692 V745 V795 V796 W797 G900 W901 T903	D646-F919 VanDerWaalsContact O-CZ 3.28Å; D646-F919 WeakPolarHBondContact O-CZ 3.48Å; P648-F919 HydrophobicContact CG-CD2 4.15Å; P648-F919 HydrophobicContact CG-CE1 4.49Å; P648-F919 HydrophobicContact CG-CE2 3.83Å; P648-F919 HydrophobicContact CG-CZ 4.01Å; W692-F919 HydrophobicContact CE3-CB 4.16Å; W692-F919 HydrophobicContact CH2-CB 3.63Å; W692-F919 HydrophobicContact CH2-CD2 4.09Å; W692-F919 HydrophobicContact CH2-CG 4.35Å; W692-F919 HydrophobicContact CZ2-CB 4.33Å; W692-F919 HydrophobicContact CZ2-CD2 4.07Å; W692-F919 HydrophobicContact CZ3-CB 3.53Å; W692-F919 WeakPolarHBondContact CZ3-O 3.43Å; V745-F919 HydrophobicContact CG1-CD1 4.43Å; V745-F919 HydrophobicContact CG1-CE1 3.86Å; V745-F919 HydrophobicContact CG2-CD1 4.48Å; V745-F919 HydrophobicContact CG2-CE1 4.11Å; V795-F919 HydrophobicContact CG1-CB 3.62Å; V795-F919 HydrophobicContact CG1-CD1 4.46Å; V795-F919 HydrophobicContact CG1-CG 4.48Å; V796-F919 VanDerWaalsContact O-CA 3.29Å; V796-F919 WeakPolarHBondContact O-CA 3.32Å; W797-F919 HydrophobicContact CB-CD1 4.22Å; W797-F919 HydrophobicContact CB-CE1 3.87Å; W797-F919 HydrophobicContact CD2-CE1 4.38Å; W797-F919 HydrophobicContact CD2-CZ 4.31Å; W797-F919 HydrophobicContact CE3-CD1 4.12Å; W797-F919 AromaticContact CE3-CD2 3.99Å; W797-F919 HydrophobicContact CE3-CD2 3.99Å; W797-F919 AromaticContact CE3-CE1 3.63Å; W797-F919 HydrophobicContact CE3-CE1 3.63Å; W797-F919 AromaticContact CE3-CE2 3.49Å; W797-F919 HydrophobicContact CE3-CE2 3.49Å; W797-F919 VanDerWaalsContact CE3-CE2 3.49Å; W797-F919 HydrophobicContact CE3-CG 4.28Å; W797-F919 AromaticContact CE3-CZ 3.29Å; W797-F919 HydrophobicContact CE3-CZ 3.29Å; W797-F919 HydrophobicContact CZ3-CD2 4.19Å; W797-F919 AromaticContact CZ3-CE2 3.57Å; W797-F919 HydrophobicContact CZ3-CE2 3.57Å; W797-F919 AromaticContact CZ3-CZ 3.77Å; W797-F919 HydrophobicContact CZ3-CZ 3.77Å; G900-F919 VanDerWaalsContact CA-O 3.25Å; G900-F919 WeakPolarHBondContact CA-O 3.28Å; W901-F919 PolarHBondContact N-O 3.35Å; W901-F919 VanDerWaalsContact N-O 3.08Å; W901-F919 PolarHBondContact O-N 3.14Å; T903-F919 HydrophobicContact CG2-CD2 3.77Å; T903-F919 HydrophobicContact CG2-CE2 3.87Å
920	V	94.4	Very high	90.8	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	143.3	176.7	-63.6	0	0	0	0	110.6	V795 V796 V798 V814 L899 V922 L925 L955	V795-V920 WeakPolarHBondContact CA-O 3.45Å; V795-V920 VanDerWaalsContact CG1-C 3.4Å; V795-V920 WeakPolarHBondContact CG1-O 3.4Å; V796-V920 PolarHBondContact N-O 3.08Å; V796-V920 PolarHBondContact O-N 3.49Å; V798-V920 HydrophobicContact CB-CG2 4.47Å; V798-V920 HydrophobicContact CG1-CG2 3.55Å; V798-V920 HydrophobicContact CG2-CG1 3.83Å; V798-V920 HydrophobicContact CG2-CG2 4.08Å; V814-V920 HydrophobicContact CB-CG1 4.37Å; V814-V920 HydrophobicContact CG1-CG1 4.13Å; L899-V920 WeakPolarHBondContact O-CA 3.34Å; V920-V922 PolarHBondContact O-N 2.95Å; V920-L925 HydrophobicContact CG2-CD2 4.26Å; V920-L955 HydrophobicContact CG2-CD1 4.31Å
921	S	94.3	Very high	90.9	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.014	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	133	174.8	171.8	0	0	0	0	110.3	L899 S923 G924 L925	L899-S921 PolarHBondContact O-N 3.43Å; S921-S923 PolarHBondContact OG-N 3.24Å; S921-G924 PolarHBondContact OG-N 3.46Å; S921-L925 VanDerWaalsContact O-CB 3.3Å; S921-L925 WeakPolarHBondContact O-CB 3.37Å; S921-L925 PolarHBondContact O-N 2.85Å
922	V	92.8	Very high	91	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.1	-48.5	176.6	171.7	0	0	0	0	110.2	L746 F787 S794 V796 V920 G924 L925 L926	L746-V922 HydrophobicContact CD2-CG2 4.37Å; F787-V922 HydrophobicContact CD1-CG1 4.09Å; F787-V922 HydrophobicContact CE1-CG1 3.7Å; S794-V922 WeakPolarHBondContact O-CB 3.37Å; S794-V922 WeakPolarHBondContact O-CG2 3.44Å; S794-V922 PolarHBondContact O-N 3.45Å; V796-V922 HydrophobicContact CB-CG2 4.39Å; V796-V922 HydrophobicContact CG2-CG2 3.39Å; V920-V922 PolarHBondContact O-N 2.95Å; V922-G924 PolarHBondContact O-N 2.72Å; V922-L925 PolarHBondContact O-N 3.49Å; V922-L926 HydrophobicContact CG1-CD1 3.74Å; V922-L926 HydrophobicContact CG1-CG 4.3Å; V922-L926 VanDerWaalsContact O-CG 3.28Å; V922-L926 WeakPolarHBondContact O-CG 3.5Å; V922-L926 PolarHBondContact O-N 2.83Å
923	S	91.3	Very high	90.7	Very high	7 Å²	7	26.5 Å²	26.5	5%	0.049	12%	0.12	C	C	.	.	H	α-helix	trans	-59.6	-46.4	-179.2	-45	0	0	0	0	111.2	H788 S921 L925 L926 H927	H788-S923 PolarHBondContact CD2-OG 2.96Å; H788-S923 WeakPolarHBondContact NE2-CB 3.48Å; H788-S923 PolarHBondContact NE2-OG 3.46Å; S921-S923 PolarHBondContact OG-N 3.24Å; S923-L925 PolarHBondContact O-N 2.69Å; S923-L926 PolarHBondContact O-N 2.79Å; S923-H927 VanDerWaalsContact O-CB 3.32Å; S923-H927 WeakPolarHBondContact O-CB 3.21Å; S923-H927 PolarHBondContact O-N 3.04Å
924	G	90	Very high	90.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.9	-38.8	176.6	0	0	0	0	0	113.4	W699 L899 S921 V922 T928	W699-G924 VanDerWaalsContact CE3-CA 3.49Å; L899-G924 VanDerWaalsContact CD2-C 3.41Å; L899-G924 WeakPolarHBondContact CD2-O 3.21Å; S921-G924 PolarHBondContact OG-N 3.46Å; V922-G924 PolarHBondContact O-N 2.72Å; G924-T928 WeakPolarHBondContact O-CB 3.22Å; G924-T928 PolarHBondContact O-N 2.86Å; G924-T928 PolarHBondContact O-OG1 3.03Å
925	L	92	Very high	89.7	Confident	2 Å²	2	30 Å²	30	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-64.7	-46.9	177.1	179.8	62.4	0	0	0	111.2	V920 S921 V922 S923 T928 L929 L955 I957	V920-L925 HydrophobicContact CG2-CD2 4.26Å; S921-L925 VanDerWaalsContact O-CB 3.3Å; S921-L925 WeakPolarHBondContact O-CB 3.37Å; S921-L925 PolarHBondContact O-N 2.85Å; V922-L925 PolarHBondContact O-N 3.49Å; S923-L925 PolarHBondContact O-N 2.69Å; L925-T928 PolarHBondContact O-N 3.12Å; L925-L929 HydrophobicContact CD1-CD1 4.24Å; L925-L929 HydrophobicContact CD1-CG 4.23Å; L925-L929 HydrophobicContact CG-CD1 4Å; L925-L929 HydrophobicContact CG-CG 4.41Å; L925-L929 VanDerWaalsContact O-CG 3.29Å; L925-L929 WeakPolarHBondContact O-CG 3.21Å; L925-L929 PolarHBondContact O-N 3.44Å; L925-L955 HydrophobicContact CD1-CD1 3.9Å; L925-I957 HydrophobicContact CD2-CD1 4.26Å
926	L	90.7	Very high	89.2	Confident	3 Å²	3	31.4 Å²	31.4	2%	0.016	15%	0.154	C	C	.	.	H	α-helix	trans	-62.1	-46.1	178.8	-68.4	171.3	0	0	0	111.6	L755 W758 V784 F787 V922 S923 T928 L929 L930	L755-L926 HydrophobicContact CD2-CD2 3.85Å; W758-L926 HydrophobicContact CE3-CD2 3.83Å; W758-L926 HydrophobicContact CZ3-CD2 3.65Å; V784-L926 HydrophobicContact CG1-CB 3.79Å; V784-L926 HydrophobicContact CG1-CD1 4.13Å; V784-L926 HydrophobicContact CG1-CD2 4.42Å; V784-L926 HydrophobicContact CG1-CG 4.32Å; V784-L926 HydrophobicContact CG2-CD2 4.35Å; F787-L926 HydrophobicContact CD1-CD1 3.81Å; F787-L926 HydrophobicContact CE1-CD1 4.48Å; V922-L926 HydrophobicContact CG1-CD1 3.74Å; V922-L926 HydrophobicContact CG1-CG 4.3Å; V922-L926 VanDerWaalsContact O-CG 3.28Å; V922-L926 WeakPolarHBondContact O-CG 3.5Å; V922-L926 PolarHBondContact O-N 2.83Å; S923-L926 PolarHBondContact O-N 2.79Å; L926-T928 VanDerWaalsContact C-N 3.26Å; L926-T928 PolarHBondContact O-N 3Å; L926-L929 PolarHBondContact O-N 3.29Å; L926-L930 WeakPolarHBondContact O-CG 3.34Å; L926-L930 PolarHBondContact O-N 2.99Å; L926-L930 VanDerWaalsContact O-N 3.07Å
927	H	89.3	Confident	88.9	Confident	72 Å²	72	33.8 Å²	33.8	33%	0.333	16%	0.162	S	C	.	.	H	α-helix	trans	-57.3	-40.2	174.9	179.7	-99	0	0	0	112.2	W699 S923 R931	W699-H927 HydrophobicContact CZ3-CB 4.29Å; W699-H927 AromaticContact CZ3-ND1 3.98Å; S923-H927 VanDerWaalsContact O-CB 3.32Å; S923-H927 WeakPolarHBondContact O-CB 3.21Å; S923-H927 PolarHBondContact O-N 3.04Å; H927-R931 PolarHBondContact CE1-NE 3.23Å; H927-R931 PolarHBondContact CE1-NH2 2.89Å; H927-R931 VanDerWaalsContact CE1-NH2 3.29Å; H927-R931 PolarHBondContact NE2-NE 3.1Å; H927-R931 VanDerWaalsContact NE2-NE 3.18Å; H927-R931 PolarHBondContact NE2-NH2 3.11Å
928	T	89.9	Confident	88.6	Confident	8 Å²	8	33.6 Å²	33.6	5%	0.049	16%	0.161	C	C	.	.	H	α-helix	trans	-69.6	-43.6	177	-56	0	0	0	0	112	A816 G924 L925 L926 L930 R931 Q932 L940	A816-T928 HydrophobicContact CB-CG2 4.17Å; G924-T928 WeakPolarHBondContact O-CB 3.22Å; G924-T928 PolarHBondContact O-N 2.86Å; G924-T928 PolarHBondContact O-OG1 3.03Å; L925-T928 PolarHBondContact O-N 3.12Å; L926-T928 VanDerWaalsContact C-N 3.26Å; L926-T928 PolarHBondContact O-N 3Å; T928-L930 VanDerWaalsContact C-N 3.32Å; T928-L930 PolarHBondContact O-N 2.97Å; T928-R931 PolarHBondContact O-N 3.47Å; T928-Q932 HydrophobicContact CG2-CG 4.45Å; T928-Q932 WeakPolarHBondContact O-CG 3.33Å; T928-Q932 PolarHBondContact O-N 3.05Å; T928-L940 HydrophobicContact CG2-CD2 3.94Å
929	L	88.4	Confident	88.4	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-64.5	-34.4	-178.9	-71.8	171.9	0	0	0	112.9	W758 L779 L925 L926 R931 Q932 R937	W758-L929 HydrophobicContact CB-CD1 4.31Å; L779-L929 HydrophobicContact CD2-CB 4.13Å; L925-L929 HydrophobicContact CD1-CD1 4.24Å; L925-L929 HydrophobicContact CD1-CG 4.23Å; L925-L929 HydrophobicContact CG-CD1 4Å; L925-L929 HydrophobicContact CG-CG 4.41Å; L925-L929 VanDerWaalsContact O-CG 3.29Å; L925-L929 WeakPolarHBondContact O-CG 3.21Å; L925-L929 PolarHBondContact O-N 3.44Å; L926-L929 PolarHBondContact O-N 3.29Å; L929-R931 VanDerWaalsContact C-N 3.28Å; L929-R931 PolarHBondContact O-N 3.06Å; L929-Q932 PolarHBondContact O-N 3.15Å; L929-R937 HydrophobicContact CD2-CB 4.25Å; L929-R937 HydrophobicContact CD2-CG 4.44Å
930	L	87.7	Confident	88.4	Confident	70 Å²	70	34 Å²	34	37%	0.366	16%	0.164	S	C	.	.	H	α-helix	trans	-63.6	-33.4	175.3	-75.9	173.9	0	0	0	112.6	L779 V784 L926 T928	L779-L930 HydrophobicContact CD2-CD2 4.11Å; L779-L930 HydrophobicContact CG-CD2 4.13Å; V784-L930 HydrophobicContact CB-CD1 4.37Å; V784-L930 HydrophobicContact CG1-CD1 3.97Å; V784-L930 HydrophobicContact CG2-CD1 4.36Å; V784-L930 HydrophobicContact CG2-CD2 4.08Å; V784-L930 HydrophobicContact CG2-CG 4.28Å; L926-L930 WeakPolarHBondContact O-CG 3.34Å; L926-L930 PolarHBondContact O-N 2.99Å; L926-L930 VanDerWaalsContact O-N 3.07Å; T928-L930 VanDerWaalsContact C-N 3.32Å; T928-L930 PolarHBondContact O-N 2.97Å
931	R	86.6	Confident	88.4	Confident	190 Å²	190	33.9 Å²	33.9	72%	0.717	16%	0.164	S	C	*	.	H	α-helix	trans	-87.9	-6.5	-178.9	-63.4	179.7	-179.4	-155.4	-1.5	113.4	H927 T928 L929	H927-R931 PolarHBondContact CE1-NE 3.23Å; H927-R931 PolarHBondContact CE1-NH2 2.89Å; H927-R931 VanDerWaalsContact CE1-NH2 3.29Å; H927-R931 PolarHBondContact NE2-NE 3.1Å; H927-R931 VanDerWaalsContact NE2-NE 3.18Å; H927-R931 PolarHBondContact NE2-NH2 3.11Å; T928-R931 PolarHBondContact O-N 3.47Å; L929-R931 VanDerWaalsContact C-N 3.28Å; L929-R931 PolarHBondContact O-N 3.06Å
932	Q	86.8	Confident	88.3	Confident	10 Å²	10	33.9 Å²	33.9	5%	0.047	16%	0.163	C	C	.	.	S	Bend	trans	-94	141.6	-178.1	-77.6	-177.3	-11.3	0	0	112.7	L822 T928 L929 R937 T939	L822-Q932 HydrophobicContact CD1-CG 4.13Å; T928-Q932 HydrophobicContact CG2-CG 4.45Å; T928-Q932 WeakPolarHBondContact O-CG 3.33Å; T928-Q932 PolarHBondContact O-N 3.05Å; L929-Q932 PolarHBondContact O-N 3.15Å; Q932-R937 HydrophobicContact CB-CG 4.34Å; Q932-T939 PolarHBondContact NE2-O 3.34Å
933	P	83.1	Confident	88.4	Confident	58 Å²	58	33.9 Å²	33.9	38%	0.377	16%	0.163	S	C	.	.			trans	-65.8	149.4	170.9	29.7	-33.1	0	0	0	110.1	E935 L936 R937	P933-E935 PolarHBondContact O-N 3.08Å; P933-L936 HydrophobicContact CG-CB 4.01Å; P933-L936 HydrophobicContact CG-CD1 3.96Å; P933-L936 HydrophobicContact CG-CG 4.1Å; P933-L936 PolarHBondContact O-N 2.85Å; P933-R937 PolarHBondContact O-N 3.08Å
934	P	80.6	Confident	88.5	Confident	62 Å²	62	34.3 Å²	34.3	40%	0.403	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-29	-173.4	18.6	-30.8	0	0	0	114.5	L762	L762-P934 HydrophobicContact CD1-CB 3.77Å
935	E	80.4	Confident	88.6	Confident	128 Å²	128	34.7 Å²	34.7	60%	0.598	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-27.9	-179.1	-60.1	-176.6	168.7	0	0	113.6	P933	P933-E935 PolarHBondContact O-N 3.08Å
936	L	82.1	Confident	88.6	Confident	37 Å²	37	37 Å²	37	19%	0.194	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	6.5	-176.5	-58.6	178.2	0	0	0	112.8	L822 F825 P933 G938 T939	L822-L936 HydrophobicContact CB-CD1 4.09Å; L822-L936 HydrophobicContact CD2-CB 4.41Å; L822-L936 HydrophobicContact CD2-CD1 4.12Å; F825-L936 HydrophobicContact CD1-CD2 3.73Å; F825-L936 HydrophobicContact CE1-CD2 3.75Å; P933-L936 HydrophobicContact CG-CB 4.01Å; P933-L936 HydrophobicContact CG-CD1 3.96Å; P933-L936 HydrophobicContact CG-CG 4.1Å; P933-L936 PolarHBondContact O-N 2.85Å; L936-G938 PolarHBondContact O-N 2.82Å; L936-T939 VanDerWaalsContact O-CB 3.23Å; L936-T939 WeakPolarHBondContact O-CB 3.5Å; L936-T939 PolarHBondContact O-N 2.99Å; L936-T939 PolarHBondContact O-OG1 3.42Å
937	R	86.5	Confident	88.6	Confident	50 Å²	50	38.4 Å²	38.4	19%	0.189	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	133.7	177.1	-75.7	-175.8	179.4	171.3	0.7	111	C759 L929 Q932 P933 T939	C759-R937 CarbonylContact O-C 3.55Å; L929-R937 HydrophobicContact CD2-CB 4.25Å; L929-R937 HydrophobicContact CD2-CG 4.44Å; Q932-R937 HydrophobicContact CB-CG 4.34Å; P933-R937 PolarHBondContact O-N 3.08Å; R937-T939 VanDerWaalsContact C-N 3.32Å
938	G	85.4	Confident	88.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	6.1	-178	0	0	0	0	0	114.5	L936 L955	L936-G938 PolarHBondContact O-N 2.82Å; G938-L955 WeakPolarHBondContact O-CB 3.28Å; G938-L955 PolarHBondContact O-N 3.37Å
939	T	90.9	Very high	88.8	Confident	11 Å²	11	39.8 Å²	39.8	7%	0.067	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	122.5	170.1	-51.2	0	0	0	0	109.4	P817 Q932 L936 R937 F952	P817-T939 WeakPolarHBondContact CG-O 3.43Å; Q932-T939 PolarHBondContact NE2-O 3.34Å; L936-T939 VanDerWaalsContact O-CB 3.23Å; L936-T939 WeakPolarHBondContact O-CB 3.5Å; L936-T939 PolarHBondContact O-N 2.99Å; L936-T939 PolarHBondContact O-OG1 3.42Å; R937-T939 VanDerWaalsContact C-N 3.32Å; T939-F952 HydrophobicContact CG2-CD1 3.99Å
940	L	93.3	Very high	89	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	173	179.2	-61.9	180	0	0	0	111.2	V814 L899 T928 F952 V953 L955	V814-L940 HydrophobicContact CG1-CB 4.27Å; V814-L940 HydrophobicContact CG1-CD1 3.73Å; L899-L940 HydrophobicContact CD1-CD1 4.17Å; L899-L940 HydrophobicContact CD1-CD2 3.67Å; T928-L940 HydrophobicContact CG2-CD2 3.94Å; L940-F952 WeakPolarHBondContact O-CA 3.4Å; L940-V953 HydrophobicContact CB-CG2 3.92Å; L940-V953 PolarHBondContact N-O 2.91Å; L940-V953 WeakPolarHBondContact O-CG2 3.48Å; L940-V953 PolarHBondContact O-N 3.28Å; L940-L955 HydrophobicContact CD1-CB 4.25Å; L940-L955 HydrophobicContact CD1-CD1 3.48Å; L940-L955 VanDerWaalsContact CD1-CD1 3.48Å
941	L	93.6	Very high	89.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	141.9	172.4	-64.4	175.9	0	0	0	110.8	V814 C815 P817 D821 P834 R896 Y950 R951 F952	V814-L941 CarbonylContact C-O 3.56Å; V814-L941 WeakPolarHBondContact CA-O 3.37Å; C815-L941 HydrophobicContact CB-CB 4.36Å; C815-L941 PolarHBondContact N-O 3.45Å; C815-L941 PolarHBondContact O-N 3.32Å; P817-L941 HydrophobicContact CB-CD1 4.25Å; P817-L941 HydrophobicContact CB-CG 4.14Å; D821-L941 HydrophobicContact CB-CD1 4.46Å; P834-L941 HydrophobicContact CG-CD1 4.41Å; R896-L941 HydrophobicContact CG-CD1 4.23Å; L941-Y950 HydrophobicContact CB-CD1 3.92Å; L941-Y950 HydrophobicContact CB-CG 4.49Å; L941-Y950 HydrophobicContact CD1-CD1 4.33Å; L941-Y950 HydrophobicContact CD1-CG 4.37Å; L941-R951 CarbonylContact C-O 3.41Å; L941-R951 WeakPolarHBondContact CA-O 3.47Å; L941-F952 HydrophobicContact CD2-CD1 3.5Å; L941-F952 VanDerWaalsContact CD2-CD1 3.5Å; L941-F952 HydrophobicContact CD2-CE1 3.47Å; L941-F952 VanDerWaalsContact CD2-CE1 3.47Å; L941-F952 HydrophobicContact CD2-CE2 4.49Å; L941-F952 HydrophobicContact CD2-CG 4.05Å; L941-F952 HydrophobicContact CD2-CZ 4Å
942	L	94.2	Very high	89.4	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.8	174.1	180	147.8	0	0	0	110.3	L800 P808 A812 M813 V902 A916 R951 V953	L800-L942 HydrophobicContact CD1-CD1 4.18Å; P808-L942 HydrophobicContact CB-CD1 4.22Å; P808-L942 HydrophobicContact CB-CD2 4.17Å; A812-L942 HydrophobicContact CB-CD1 4.35Å; A812-L942 HydrophobicContact CB-CD2 4.05Å; A812-L942 HydrophobicContact CB-CG 4.11Å; M813-L942 WeakPolarHBondContact O-CA 3.4Å; V902-L942 HydrophobicContact CG2-CD1 3.74Å; A916-L942 HydrophobicContact CB-CD1 4.25Å; L942-R951 PolarHBondContact N-O 2.98Å; L942-R951 PolarHBondContact O-N 3.45Å; L942-V953 HydrophobicContact CB-CG1 3.59Å; L942-V953 HydrophobicContact CB-CG2 4.12Å; L942-V953 HydrophobicContact CD1-CG1 4.14Å; L942-V953 HydrophobicContact CG-CG1 4.42Å
943	R	93.3	Very high	89.7	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.1	176.8	-167.3	-174.6	75.1	-163.3	3.8	111	G683 A812 M813 C894 S947 Y950	G683-R943 VanDerWaalsContact C-NH2 3.33Å; G683-R943 PolarHBondContact O-NH2 3.48Å; A812-R943 CarbonylContact C-O 3.35Å; A812-R943 WeakPolarHBondContact CA-O 3.44Å; A812-R943 WeakPolarHBondContact CB-O 3.28Å; M813-R943 PolarHBondContact N-O 3.17Å; M813-R943 PolarHBondContact O-N 3.48Å; M813-R943 PolarHBondContact SD-NH2 3.2Å; C894-R943 PolarHBondContact SG-NH1 3.35Å; C894-R943 PolarHBondContact SG-NH2 2.94Å; R943-S947 WeakPolarHBondContact CG-O 3.18Å; R943-Y950 HydrophobicContact CB-CD1 3.8Å; R943-Y950 HydrophobicContact CB-CE1 3.73Å; R943-Y950 HydrophobicContact CG-CD1 4.41Å; R943-Y950 HydrophobicContact CG-CE1 4.28Å; R943-Y950 PolarHBondContact NH1-OH 3.12Å
944	N	94	Very high	90.1	Very high	16 Å²	16	31.7 Å²	31.7	9%	0.086	16%	0.155	C	C	.	.			trans	-72.1	147	174	-70.7	-13.4	0	0	0	110.7	K807 E809 T946 S947	K807-N944 PolarHBondContact O-ND2 3.37Å; E809-N944 HydrophobicContact CB-CB 4.35Å; E809-N944 HydrophobicContact CG-CB 4.39Å; E809-N944 PolarHBondContact N-OD1 3.17Å; N944-T946 PolarHBondContact O-N 3.24Å; N944-T946 VanDerWaalsContact O-N 3.09Å; N944-S947 PolarHBondContact O-N 3.09Å; N944-S947 VanDerWaalsContact O-N 3.07Å
945	P	91.7	Very high	90.6	Very high	8 Å²	8	28.7 Å²	28.7	5%	0.052	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.7	178.6	-25.8	37.4	0	0	0	113.7	Y679 H811	Y679-P945 HydrophobicContact CD1-CB 4.44Å; Y679-P945 HydrophobicContact CE1-CB 4.06Å; H811-P945 HydrophobicContact CB-CG 4.44Å; H811-P945 WeakPolarHBondContact O-CG 3.16Å
946	T	91.4	Very high	91.1	Very high	52 Å²	52	24.3 Å²	24.3	32%	0.319	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-5.3	-177.1	60.4	0	0	0	0	114	H682 E809 N944	H682-T946 PolarHBondContact CE1-O 3.22Å; H682-T946 PolarHBondContact ND1-O 3.37Å; E809-T946 PolarHBondContact OE1-OG1 3.34Å; E809-T946 WeakPolarHBondContact OE2-CG2 3.39Å; E809-T946 PolarHBondContact OE2-OG1 3.01Å; N944-T946 PolarHBondContact O-N 3.24Å; N944-T946 VanDerWaalsContact O-N 3.09Å
947	S	91.4	Very high	91.4	Very high	31 Å²	31	22.8 Å²	22.8	22%	0.217	11%	0.109	C	C	.	.			trans	-128.3	149	-173.2	-165.7	0	0	0	0	111.9	R943 N944 H949	R943-S947 WeakPolarHBondContact CG-O 3.18Å; N944-S947 PolarHBondContact O-N 3.09Å; N944-S947 VanDerWaalsContact O-N 3.07Å; S947-H949 PolarHBondContact OG-N 2.97Å
948	L	92	Very high	91.2	Very high	29 Å²	29	22.3 Å²	22.3	15%	0.152	11%	0.11	C	C	.	.	S	Bend	trans	-89.1	-8.7	172.2	-65.3	172.9	0	0	0	112.7	H682 Q835 E836	H682-L948 HydrophobicContact CB-CD2 4.36Å; Q835-L948 HydrophobicContact CG-CB 3.85Å; E836-L948 HydrophobicContact CB-CB 4.45Å; E836-L948 HydrophobicContact CB-CD2 4.26Å; E836-L948 WeakPolarHBondContact CB-O 3.35Å; E836-L948 PolarHBondContact N-O 3.47Å
949	H	91.5	Very high	90.6	Very high	80 Å²	80	25 Å²	25	37%	0.37	13%	0.126	S	C	.	.	B	Isolated β-bridge	trans	-86.4	128.2	-174.1	-67.1	75.6	0	0	0	111.3	S947	S947-H949 PolarHBondContact OG-N 2.97Å
950	Y	92	Very high	90.6	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	145	166.9	-68.8	-82	0	0	0	110.7	C815 G833 P834 E836 R896 L941 R943	C815-Y950 HydrophobicContact CB-CE1 4.09Å; G833-Y950 CarbonylContact C-O 3.57Å; G833-Y950 WeakPolarHBondContact CA-O 3.4Å; G833-Y950 PolarHBondContact N-O 3.01Å; P834-Y950 HydrophobicContact CG-CD2 4.2Å; P834-Y950 HydrophobicContact CG-CG 4.42Å; P834-Y950 WeakPolarHBondContact O-CB 3.29Å; P834-Y950 WeakPolarHBondContact O-CD2 3.5Å; P834-Y950 PolarHBondContact O-N 3.12Å; E836-Y950 HydrophobicContact CB-CE2 3.7Å; E836-Y950 HydrophobicContact CG-CE2 4.37Å; E836-Y950 VanDerWaalsContact OE2-CE2 3.26Å; E836-Y950 WeakPolarHBondContact OE2-CE2 3.48Å; E836-Y950 PolarHBondContact OE2-OH 3.13Å; E836-Y950 VanDerWaalsContact OE2-OH 3.06Å; R896-Y950 HydrophobicContact CB-CE1 4.49Å; L941-Y950 HydrophobicContact CB-CD1 3.92Å; L941-Y950 HydrophobicContact CB-CG 4.49Å; L941-Y950 HydrophobicContact CD1-CD1 4.33Å; L941-Y950 HydrophobicContact CD1-CG 4.37Å; R943-Y950 HydrophobicContact CB-CD1 3.8Å; R943-Y950 HydrophobicContact CB-CE1 3.73Å; R943-Y950 HydrophobicContact CG-CD1 4.41Å; R943-Y950 HydrophobicContact CG-CE1 4.28Å; R943-Y950 PolarHBondContact NH1-OH 3.12Å
951	R	92.1	Very high	90.4	Very high	63 Å²	63	27 Å²	27	24%	0.238	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	135.5	177.2	-61.9	178.5	177.6	-86.2	-0.4	109.7	L802 K805 L941 L942 V953	L802-R951 HydrophobicContact CD2-CB 3.54Å; L802-R951 HydrophobicContact CD2-CG 4.38Å; K805-R951 PolarHBondContact O-NH1 2.92Å; L941-R951 CarbonylContact C-O 3.41Å; L941-R951 WeakPolarHBondContact CA-O 3.47Å; L942-R951 PolarHBondContact N-O 2.98Å; L942-R951 PolarHBondContact O-N 3.45Å; R951-V953 PolarHBondContact O-N 3.47Å
952	F	91.8	Very high	90.3	Very high	9 Å²	9	28.5 Å²	28.5	4%	0.039	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	130.2	174.9	-66.4	-78.7	0	0	0	111.1	L803 D821 F825 T939 L940 L941	L803-F952 HydrophobicContact CD1-CB 4.22Å; L803-F952 PolarHBondContact N-O 3.08Å; L803-F952 VanDerWaalsContact N-O 3.11Å; D821-F952 HydrophobicContact CB-CE1 4.46Å; D821-F952 HydrophobicContact CB-CZ 4.42Å; D821-F952 WeakPolarHBondContact O-CZ 3.41Å; F825-F952 HydrophobicContact CB-CE1 4.16Å; F825-F952 HydrophobicContact CB-CE2 4.45Å; F825-F952 HydrophobicContact CB-CZ 4.05Å; F825-F952 HydrophobicContact CD2-CB 4.26Å; F825-F952 AromaticContact CD2-CD1 3.99Å; F825-F952 HydrophobicContact CD2-CD1 3.99Å; F825-F952 AromaticContact CD2-CD2 3.91Å; F825-F952 HydrophobicContact CD2-CD2 3.91Å; F825-F952 HydrophobicContact CD2-CE1 4.29Å; F825-F952 HydrophobicContact CD2-CE2 4.22Å; F825-F952 AromaticContact CD2-CG 3.79Å; F825-F952 HydrophobicContact CD2-CG 3.79Å; F825-F952 HydrophobicContact CD2-CZ 4.4Å; F825-F952 HydrophobicContact CE2-CB 4.25Å; F825-F952 HydrophobicContact CE2-CG 4.28Å; T939-F952 HydrophobicContact CG2-CD1 3.99Å; L940-F952 WeakPolarHBondContact O-CA 3.4Å; L941-F952 HydrophobicContact CD2-CD1 3.5Å; L941-F952 VanDerWaalsContact CD2-CD1 3.5Å; L941-F952 HydrophobicContact CD2-CE1 3.47Å; L941-F952 VanDerWaalsContact CD2-CE1 3.47Å; L941-F952 HydrophobicContact CD2-CE2 4.49Å; L941-F952 HydrophobicContact CD2-CG 4.05Å; L941-F952 HydrophobicContact CD2-CZ 4Å
953	V	92.6	Very high	90	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145.8	176	-64.7	0	0	0	0	109.7	L800 T801 L802 L940 L942 R951	L800-V953 HydrophobicContact CB-CB 4.32Å; L800-V953 HydrophobicContact CB-CG2 4.47Å; L800-V953 HydrophobicContact CD2-CG2 4.2Å; T801-V953 CarbonylContact O-C 3.43Å; T801-V953 WeakPolarHBondContact O-CA 3.42Å; L802-V953 HydrophobicContact CD2-CG1 3.58Å; L802-V953 HydrophobicContact CG-CG1 3.83Å; L940-V953 HydrophobicContact CB-CG2 3.92Å; L940-V953 PolarHBondContact N-O 2.91Å; L940-V953 WeakPolarHBondContact O-CG2 3.48Å; L940-V953 PolarHBondContact O-N 3.28Å; L942-V953 HydrophobicContact CB-CG1 3.59Å; L942-V953 HydrophobicContact CB-CG2 4.12Å; L942-V953 HydrophobicContact CD1-CG1 4.14Å; L942-V953 HydrophobicContact CG-CG1 4.42Å; R951-V953 PolarHBondContact O-N 3.47Å
954	R	91.1	Very high	89.8	Confident	85 Å²	85	32 Å²	32	32%	0.321	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	127	169.3	-177.2	170.3	179.7	160.1	-0.6	109.1	L800 T801 L803	L800-R954 WeakPolarHBondContact CA-O 3.31Å; T801-R954 PolarHBondContact N-O 3.15Å; T801-R954 PolarHBondContact O-N 3.3Å; L803-R954 HydrophobicContact CD2-CB 4.07Å; L803-R954 HydrophobicContact CG-CB 4.49Å
955	L	92.3	Very high	89.5	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	126.6	176	-178.3	154.8	0	0	0	109.9	C759 V798 L800 V920 L925 G938 L940 I957	C759-L955 HydrophobicContact CB-CD2 3.9Å; V798-L955 HydrophobicContact CB-CD1 4.28Å; V798-L955 HydrophobicContact CB-CG 4.17Å; V798-L955 HydrophobicContact CG1-CD1 4Å; V798-L955 HydrophobicContact CG1-CD2 4.33Å; V798-L955 HydrophobicContact CG1-CG 4.14Å; V798-L955 HydrophobicContact CG2-CD1 4.47Å; L800-L955 HydrophobicContact CD2-CB 3.92Å; L800-L955 HydrophobicContact CD2-CD1 4.28Å; L800-L955 HydrophobicContact CD2-CG 4.13Å; V920-L955 HydrophobicContact CG2-CD1 4.31Å; L925-L955 HydrophobicContact CD1-CD1 3.9Å; G938-L955 WeakPolarHBondContact O-CB 3.28Å; G938-L955 PolarHBondContact O-N 3.37Å; L940-L955 HydrophobicContact CD1-CB 4.25Å; L940-L955 HydrophobicContact CD1-CD1 3.48Å; L940-L955 VanDerWaalsContact CD1-CD1 3.48Å; L955-I957 HydrophobicContact CD2-CD1 4.09Å; L955-I957 HydrophobicContact CD2-CG1 3.64Å
956	N	89.8	Confident	89.4	Confident	35 Å²	35	34.9 Å²	34.9	19%	0.187	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	126.9	173.4	-67.3	-29.1	0	0	0	109	R799	R799-N956 PolarHBondContact N-O 3.28Å; R799-N956 PolarHBondContact O-N 3.21Å
957	I	89.2	Confident	89.2	Confident	5 Å²	5	33.5 Å²	33.5	3%	0.026	16%	0.163	C	C	.	.			trans	-102.8	100.2	170.4	-51.5	178.4	0	0	0	106.7	L752 L755 S756 V796 V798 L925 L955 V959	L752-I957 HydrophobicContact CD2-CG2 4.29Å; L755-I957 HydrophobicContact CB-CD1 3.84Å; S756-I957 WeakPolarHBondContact CB-O 3.4Å; S756-I957 PolarHBondContact OG-O 3.18Å; V796-I957 HydrophobicContact CG1-CD1 4.17Å; V796-I957 HydrophobicContact CG1-CG2 4.36Å; V798-I957 HydrophobicContact CG1-CG1 4.15Å; L925-I957 HydrophobicContact CD2-CD1 4.26Å; L955-I957 HydrophobicContact CD2-CD1 4.09Å; L955-I957 HydrophobicContact CD2-CG1 3.64Å; I957-V959 HydrophobicContact CG2-CG2 3.79Å
958	D	80.8	Confident	89.1	Confident	41 Å²	41	33.8 Å²	33.8	22%	0.219	16%	0.158	C	C	.	.			trans	-85.6	114.4	178.5	-74.2	-24.6	0	0	0	107.4	V591 R799	V591-D958 HydrophobicContact CB-CB 4.26Å; V591-D958 HydrophobicContact CG1-CB 3.58Å; R799-D958 IonicContact NH1-OD2 3.46Å
959	V	73.4	Confident	88.8	Confident	56 Å²	56	34.2 Å²	34.2	34%	0.339	16%	0.159	S	C	.	.			trans	-121.7	0	-177.7	-168.1	0	0	0	0	114.5	V591 R749 L752 R753 I957	V591-V959 WeakPolarHBondContact CG1-O 3.46Å; R749-V959 HydrophobicContact CB-CG1 4.28Å; R749-V959 HydrophobicContact CG-CG1 4.45Å; L752-V959 HydrophobicContact CB-CB 4.31Å; L752-V959 HydrophobicContact CB-CG1 3.81Å; L752-V959 HydrophobicContact CB-CG2 3.48Å; L752-V959 VanDerWaalsContact CB-CG2 3.48Å; L752-V959 HydrophobicContact CD1-CG1 4.43Å; R753-V959 HydrophobicContact CG-CB 4.22Å; R753-V959 HydrophobicContact CG-CG1 3.98Å; I957-V959 HydrophobicContact CG2-CG2 3.79Å

Retrieved 959 of 959 residues in 1042.4 ms (Link to these results)

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