A0A077Z5B5_TRITR Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A077Z5B5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,152 aa.

						>A0A077Z5B5_TRITR|A0A077Z5B5
MDDPSLHRLEGYHHTSGGLILKKQPESKAHSAAVAEPTVSLLGLDKLAAAKRAERQRAMEKSRHDKRQYRRHQSDEELLAIPQSVRERISRFIKGQHGHDDRRGLEASSMDKKGRPTGGSRKRAAQHRFRAPATPLFKVPGTPSRSNWDDDVDEVAKRSKSTSSWDLPTPILTGSRDDASTERSLISIWRSERERRHSGRRRRRRLHDQQLAASKGKIGDTPSVWSQTDNEPSFASERDRFDWEEEQRRLDRNWYEMDELQECFDDDHNPFASISQEYTKQREQRLEEQKKKRLTARQQQIKKDNEMWENNRLFRSGIIQRMELEEDFNDDSESRVNLLVHNMVPPFLDGRIIFTKQPEPVVPVRDPTCDMAIIARKGSAAIRAWREAEERKRDQEKHWELGGTQIGNIMGVRKKDVIDPSDSVESGDYKTSHQFADHMKDSEAVSDFAKKKSLREQRQYLPVFAVRQQLLKVIRENSVTVVVGETGSGKTTQLTQYLYEEGYGALGVIGCTQPRRVAAMSVAKRVADEVGCPLGDQVGYAIRFEDCTSSKTVIKYMTDGILLRECLGEPDLDNYSAVIMDEAHERSLNTDVLFGLLKEVVARRRDLRLIVTSATMDAQKFADFFGNVPVFVIPGRTFPVEIMHSKNVVEDYVEAAVKQAVTIHVGGLQGDILIFMPGQEDIEVTCALISARLAELEEAPPLSVLPIYSQLPSDLQAKIFQRAPDGMRKCIVATNIAETSLTLDGILFVVDPGYCKLKVFNPRIGMDALQVFPVSQASANQRSGRAGRTGPGQCYRLYTERQFKEELLANTVPEIQRTNLANVVLLLKSLGVEDLLKFHFMDPPPQDNILNSMYQLWTLSALDNTGKLTPMGREMIEFPLDPTLSKMLLVSCQMGCSEEILTIVSMLSVPSVFYRPKGREEEGDIKREKFQVPESDHLTFLNVYLQWRVNRYSSNWCSEHFIHVKAMRKVREIRAQLKDIMDQQKMDILSCGTDWDVVRKCVCSAYFHNAARLKGIGEYVNLRTGMPCFLHPTSALFGMGYTPDYVVYHELVMTAKEYMQCVTAVDGCWLAELGPMFYSIKQSGVTRCEKRQQTLKDMETMEQEMRQAQQQLTAQKELQEKVQQAQWKKIKVATPGRSDTNRSTPRAGHFGW
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.1	Very low	40	Very low	221 Å²	221	152.6 Å²	152.6	100%	1.089	81%	0.812	S	S	*	*				0	95.9	0	-80.7	-64.4	-155.1	0	0	105.5
2	D	41	Very low	40.2	Very low	149 Å²	149	158.3 Å²	158.3	80%	0.797	82%	0.816	S	S	*	*			trans	-124	142.3	-137.7	-45.3	-70.8	0	0	0	110.6	P4	D2-P4 WeakPolarHBondContact O-CD 3.46Å
3	D	45.7	Very low	40.2	Very low	155 Å²	155	156.9 Å²	156.9	83%	0.829	80%	0.804	S	S	*	*			trans	-104.3	114.8	-163	-170	3.4	0	0	0	111.8
4	P	40.7	Very low	40.6	Very low	120 Å²	120	158.2 Å²	158.2	78%	0.779	80%	0.804	S	S	*	*			trans	-123.6	61.3	-169.1	41.3	-26.5	0	0	0	114.5	D2	D2-P4 WeakPolarHBondContact O-CD 3.46Å
5	S	41.8	Very low	40.6	Very low	92 Å²	92	157.8 Å²	157.8	64%	0.643	81%	0.813	S	S	*	*			trans	-159.3	127.4	158.5	64.3	0	0	0	0	114.9
6	L	42.1	Very low	40.9	Very low	159 Å²	159	155.5 Å²	155.5	83%	0.832	82%	0.815	S	S	*	*				-169.3	124.4	120.8	-126.9	70.6	0	0	0	112.1
7	H	40.2	Very low	40.7	Very low	190 Å²	190	151.5 Å²	151.5	88%	0.88	82%	0.82	S	S	*	*			trans	-108.3	155.9	151.7	-71.9	-63.4	0	0	0	107.9
8	R	36.7	Very low	40.5	Very low	216 Å²	216	146.8 Å²	146.8	82%	0.815	81%	0.813	S	S	*	*			trans	112.8	154	162.4	-162.3	179.9	-160.8	146.1	8.7	116.2
9	L	39.2	Very low	40.3	Very low	140 Å²	140	147.6 Å²	147.6	73%	0.733	82%	0.815	S	S	*	*			trans	102.7	95.6	179.2	-60.4	172.9	0	0	0	110.9
10	E	40.3	Very low	40.3	Very low	161 Å²	161	147.7 Å²	147.7	75%	0.752	81%	0.812	S	S	*	*				76.7	129.8	75.9	-72.4	172.5	-147.2	0	0	111.8
11	G	37.7	Very low	40.3	Very low	76 Å²	76	148.2 Å²	148.2	78%	0.784	81%	0.813	S	S	*	*			trans	-143.5	153.1	-169.5	0	0	0	0	0	112.5
12	Y	41.8	Very low	40.3	Very low	220 Å²	220	147.3 Å²	147.3	86%	0.863	80%	0.803	S	S	*	*			trans	-130.3	108.1	-167.5	-139.9	-94.7	0	0	0	111.8
13	H	40.1	Very low	40.1	Very low	141 Å²	141	150 Å²	150	65%	0.653	81%	0.808	S	S	*	*			trans	50.1	138.3	149.1	-75.5	-94.8	0	0	0	123.6
14	H	45.5	Very low	39.7	Very low	175 Å²	175	150.9 Å²	150.9	81%	0.81	81%	0.807	S	S	*	*			trans	84.3	41	151.8	-62.7	-54.7	0	0	0	122.2
15	T	40.8	Very low	39.6	Very low	152 Å²	152	151.3 Å²	151.3	93%	0.933	81%	0.81	S	S	*	*			trans	-133	146.6	145.7	49	0	0	0	0	111.5
16	S	45.3	Very low	39.5	Very low	121 Å²	121	155.8 Å²	155.8	85%	0.846	82%	0.82	S	S	*	*			trans	-125.5	135.5	-167.7	56.5	0	0	0	0	113.1
17	G	38.6	Very low	39.2	Very low	87 Å²	87	153.3 Å²	153.3	90%	0.897	82%	0.816	S	S	*	*			trans	100.7	64.3	158.5	0	0	0	0	0	116.9
18	G	36.9	Very low	38.9	Very low	68 Å²	68	154.1 Å²	154.1	70%	0.701	82%	0.817	S	S	*	*			trans	-114.2	119.6	165.1	0	0	0	0	0	111.3	I20	G18-I20 PolarHBondContact O-N 3.3Å
19	L	36.1	Very low	38.8	Very low	161 Å²	161	147.8 Å²	147.8	84%	0.843	81%	0.811	S	S	*	*			trans	-93.4	86.6	-174.7	-150.8	169.5	0	0	0	110.9	L21	L19-L21 HydrophobicContact CD2-CG 4.44Å
20	I	40.5	Very low	38.6	Very low	149 Å²	149	149.3 Å²	149.3	76%	0.764	81%	0.814	S	S	*	*			trans	-92.8	107.9	-177.7	-58.8	175.4	0	0	0	110.6	G18 K22	G18-I20 PolarHBondContact O-N 3.3Å; I20-K22 PolarHBondContact O-N 3.16Å
21	L	40.5	Very low	38.4	Very low	159 Å²	159	146.9 Å²	146.9	83%	0.832	82%	0.815	S	S	*	*			trans	-75.4	98.9	169.3	-76.4	168.6	0	0	0	110.7	L19 K23	L19-L21 HydrophobicContact CD2-CG 4.44Å; L21-K23 PolarHBondContact O-N 3.45Å
22	K	35.3	Very low	38.2	Very low	202 Å²	202	148.7 Å²	148.7	88%	0.878	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-66.4	127	166.7	-73.2	-177.7	176.3	178.7	0	110.1	I20	I20-K22 PolarHBondContact O-N 3.16Å
23	K	36.5	Very low	38	Very low	206 Å²	206	142.7 Å²	142.7	90%	0.896	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-102.5	139	161.6	-149.1	176.4	-175	-174.7	0	109	L21	L21-K23 PolarHBondContact O-N 3.45Å
24	Q	38.2	Very low	37.9	Very low	173 Å²	173	142.4 Å²	142.4	81%	0.808	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-73.7	152.6	-177.7	-75.1	177.7	-40.6	0	0	112.2
25	P	37.6	Very low	37.8	Very low	129 Å²	129	138.6 Å²	138.6	84%	0.838	83%	0.825	S	S	*	*			trans	-88.2	112.2	168.3	33.6	-29	0	0	0	110.6
26	E	38.9	Very low	37.8	Very low	186 Å²	186	139.5 Å²	139.5	87%	0.869	82%	0.819	S	S	*	*			trans	-102	154.7	164.4	-70	-166.1	144.5	0	0	110.9
27	S	36	Very low	38.1	Very low	107 Å²	107	139.5 Å²	139.5	75%	0.748	82%	0.816	S	S	*	*			trans	-119.1	134.7	-154.3	63.3	0	0	0	0	115
28	K	35.5	Very low	39	Very low	208 Å²	208	142 Å²	142	90%	0.904	81%	0.814	S	S	*	*			trans	44.2	99.5	148.9	-61.5	-179.5	179.4	179.5	0	118.2
29	A	33.5	Very low	40	Very low	83 Å²	83	143.3 Å²	143.3	69%	0.686	81%	0.808	S	S	*	*			trans	-164.3	165.7	130.3	0	0	0	0	0	111.8
30	H	36.1	Very low	41.1	Very low	172 Å²	172	137.3 Å²	137.3	80%	0.796	78%	0.78	S	S	*	*			trans	69.3	98.8	165.9	-55.5	-65.3	0	0	0	119.8
31	S	35.6	Very low	42.1	Very low	110 Å²	110	138.7 Å²	138.7	77%	0.769	79%	0.788	S	S	*	*			trans	43.2	119.7	134.2	54.5	0	0	0	0	120.3	A33	S31-A33 PolarHBondContact O-N 3.18Å
32	A	33.2	Very low	43.2	Very low	113 Å²	113	138.2 Å²	138.2	93%	0.934	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-63.3	118.8	165.6	0	0	0	0	0	111.7
33	A	36.9	Very low	44.3	Very low	95 Å²	95	129.9 Å²	129.9	79%	0.785	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-101.6	138.8	162.1	0	0	0	0	0	109	S31	S31-A33 PolarHBondContact O-N 3.18Å
34	V	39.4	Very low	46	Very low	135 Å²	135	124.3 Å²	124.3	82%	0.818	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-69.6	131.3	172.2	176.9	0	0	0	0	108	E36	V34-E36 PolarHBondContact O-N 3.41Å
35	A	42.1	Very low	47.7	Very low	95 Å²	95	120.1 Å²	120.1	79%	0.785	72%	0.719	S	S	*	*			trans	-67.9	105.8	173.4	0	0	0	0	0	109.4
36	E	42.2	Very low	49.4	Very low	170 Å²	170	121.4 Å²	121.4	79%	0.794	71%	0.712	S	S	*	*			trans	-63.6	143.6	176.3	-63.9	-167	141.9	0	0	110.9	V34 T38	V34-E36 PolarHBondContact O-N 3.41Å; E36-T38 PolarHBondContact O-N 3.05Å; E36-T38 VanDerWaalsContact O-N 3.08Å
37	P	50.9	Low	51	Low	122 Å²	122	117 Å²	117	79%	0.792	69%	0.694	S	S	*	*			trans	-67.5	111.5	-178.7	27.1	-33.8	0	0	0	110.4	V39	P37-V39 PolarHBondContact O-N 3.09Å; P37-V39 VanDerWaalsContact O-N 3.08Å
38	T	57.5	Low	52.7	Low	138 Å²	138	113.5 Å²	113.5	85%	0.847	67%	0.671	S	S	*	*			trans	-54.4	115	177.6	52.7	0	0	0	0	110.9	E36	E36-T38 PolarHBondContact O-N 3.05Å; E36-T38 VanDerWaalsContact O-N 3.08Å
39	V	56.7	Low	54.5	Low	97 Å²	97	106.1 Å²	106.1	59%	0.588	65%	0.649	S	S	*	*			trans	-61.5	137.1	178.6	-168.5	0	0	0	0	109.7	P37 L41	P37-V39 PolarHBondContact O-N 3.09Å; P37-V39 VanDerWaalsContact O-N 3.08Å; V39-L41 PolarHBondContact O-N 3Å
40	S	60.3	Low	56.6	Low	34 Å²	34	105 Å²	105	24%	0.238	64%	0.64	C	S	.	*			trans	-55.5	130.9	176.8	51.6	0	0	0	0	111.8	L42 G43 L44 D45	S40-L42 PolarHBondContact O-N 3.13Å; S40-G43 PolarHBondContact O-N 3.03Å; S40-L44 PolarHBondContact OG-N 3.3Å; S40-L44 VanDerWaalsContact OG-N 3.08Å; S40-D45 WeakPolarHBondContact CA-OD2 3.47Å; S40-D45 WeakPolarHBondContact CB-OD2 3.42Å; S40-D45 PolarHBondContact N-OD2 3.01Å; S40-D45 PolarHBondContact OG-N 3.48Å; S40-D45 VanDerWaalsContact OG-N 3.11Å; S40-D45 PolarHBondContact OG-OD2 2.86Å
41	L	60.4	Low	58.5	Low	179 Å²	179	101.7 Å²	101.7	94%	0.937	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-7.9	-177.4	-129.8	147.5	0	0	0	114.2	V39	V39-L41 PolarHBondContact O-N 3Å
42	L	63.7	Low	60.2	Low	149 Å²	149	101.2 Å²	101.2	78%	0.78	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.2	7.1	178.4	-61.7	175.1	0	0	0	113.2	S40 L44	S40-L42 PolarHBondContact O-N 3.13Å; L42-L44 HydrophobicContact CB-CD1 4.2Å; L42-L44 HydrophobicContact CB-CG 4.12Å; L42-L44 HydrophobicContact CD1-CD1 4.32Å; L42-L44 PolarHBondContact O-N 2.89Å
43	G	58.7	Low	62.3	Low	27 Å²	27	97.8 Å²	97.8	28%	0.278	58%	0.576	S	S	.	*	S	Bend	trans	66.8	13.8	-179.4	0	0	0	0	0	115.1	S40 D45 K46 L47	S40-G43 PolarHBondContact O-N 3.03Å; G43-D45 PolarHBondContact O-N 3.05Å; G43-K46 WeakPolarHBondContact O-CB 3.39Å; G43-K46 PolarHBondContact O-N 3.3Å; G43-L47 PolarHBondContact O-N 3.3Å; G43-L47 VanDerWaalsContact O-N 3.07Å
44	L	73	Confident	64.2	Low	88 Å²	88	99.2 Å²	99.2	46%	0.461	57%	0.567	S	S	.	*	H	α-helix	trans	-59.8	-31.5	-177.5	-73.9	167.6	0	0	0	112.5	S40 L42 L47 A48	S40-L44 PolarHBondContact OG-N 3.3Å; S40-L44 VanDerWaalsContact OG-N 3.08Å; L42-L44 HydrophobicContact CB-CD1 4.2Å; L42-L44 HydrophobicContact CB-CG 4.12Å; L42-L44 HydrophobicContact CD1-CD1 4.32Å; L42-L44 PolarHBondContact O-N 2.89Å; L44-L47 PolarHBondContact O-N 2.93Å; L44-A48 VanDerWaalsContact O-CB 3.31Å; L44-A48 WeakPolarHBondContact O-CB 3.47Å; L44-A48 PolarHBondContact O-N 2.75Å
45	D	73	Confident	65.7	Low	86 Å²	86	98.5 Å²	98.5	46%	0.46	55%	0.549	S	S	.	.	H	α-helix	trans	-67	-39	174.6	-48.8	-57.3	0	0	0	111.9	S40 G43 A48 A49	S40-D45 WeakPolarHBondContact CA-OD2 3.47Å; S40-D45 WeakPolarHBondContact CB-OD2 3.42Å; S40-D45 PolarHBondContact N-OD2 3.01Å; S40-D45 PolarHBondContact OG-N 3.48Å; S40-D45 VanDerWaalsContact OG-N 3.11Å; S40-D45 PolarHBondContact OG-OD2 2.86Å; G43-D45 PolarHBondContact O-N 3.05Å; D45-A48 PolarHBondContact O-N 3.3Å; D45-A49 VanDerWaalsContact O-CB 3.26Å; D45-A49 WeakPolarHBondContact O-CB 3.23Å; D45-A49 PolarHBondContact O-N 3Å
46	K	72.9	Confident	67.3	Low	155 Å²	155	100 Å²	100	67%	0.674	54%	0.54	S	S	*	.	H	α-helix	trans	-66	-40.7	176	-64.3	-174.1	177.3	-177	0	110.1	G43 A49 A50	G43-K46 WeakPolarHBondContact O-CB 3.39Å; G43-K46 PolarHBondContact O-N 3.3Å; K46-A49 PolarHBondContact O-N 3.13Å; K46-A50 VanDerWaalsContact O-CB 3.31Å; K46-A50 WeakPolarHBondContact O-CB 3.29Å; K46-A50 PolarHBondContact O-N 2.61Å
47	L	73.8	Confident	68.8	Low	95 Å²	95	100.7 Å²	100.7	50%	0.497	54%	0.535	S	S	.	.	H	α-helix	trans	-65.4	-43.6	174.5	-162.9	162.4	0	0	0	111.5	G43 L44 A50 K51	G43-L47 PolarHBondContact O-N 3.3Å; G43-L47 VanDerWaalsContact O-N 3.07Å; L44-L47 PolarHBondContact O-N 2.93Å; L47-A50 PolarHBondContact O-N 2.7Å; L47-K51 HydrophobicContact CD2-CD 4.1Å; L47-K51 HydrophobicContact CD2-CG 4.33Å; L47-K51 WeakPolarHBondContact O-CB 3.34Å; L47-K51 PolarHBondContact O-N 3.47Å
48	A	70.6	Confident	69.9	Low	33 Å²	33	97.5 Å²	97.5	27%	0.273	52%	0.519	S	S	.	.	H	α-helix	trans	-65.7	-38.7	175.8	0	0	0	0	0	112.4	L44 D45 K51 R52	L44-A48 VanDerWaalsContact O-CB 3.31Å; L44-A48 WeakPolarHBondContact O-CB 3.47Å; L44-A48 PolarHBondContact O-N 2.75Å; D45-A48 PolarHBondContact O-N 3.3Å; A48-K51 PolarHBondContact O-N 2.71Å; A48-R52 WeakPolarHBondContact O-CG 3.39Å; A48-R52 PolarHBondContact O-N 2.72Å
49	A	75.2	Confident	70.5	Confident	52 Å²	52	96 Å²	96	43%	0.43	50%	0.504	S	S	.	.	H	α-helix	trans	-65.5	-45.1	173.5	0	0	0	0	0	111.6	D45 K46 K51 R52 A53	D45-A49 VanDerWaalsContact O-CB 3.26Å; D45-A49 WeakPolarHBondContact O-CB 3.23Å; D45-A49 PolarHBondContact O-N 3Å; K46-A49 PolarHBondContact O-N 3.13Å; A49-K51 PolarHBondContact O-N 2.91Å; A49-R52 PolarHBondContact O-N 2.84Å; A49-R52 VanDerWaalsContact O-N 3.15Å; A49-A53 PolarHBondContact O-N 3.42Å
50	A	77.4	Confident	71.2	Confident	61 Å²	61	97.6 Å²	97.6	50%	0.504	51%	0.505	S	S	.	.	H	α-helix	trans	-58.6	-45.9	173.8	0	0	0	0	0	111.5	K46 L47 R52 A53 E54	K46-A50 VanDerWaalsContact O-CB 3.31Å; K46-A50 WeakPolarHBondContact O-CB 3.29Å; K46-A50 PolarHBondContact O-N 2.61Å; L47-A50 PolarHBondContact O-N 2.7Å; A50-R52 PolarHBondContact O-N 3.3Å; A50-A53 PolarHBondContact O-N 3.44Å; A50-E54 WeakPolarHBondContact O-CB 2.85Å; A50-E54 PolarHBondContact O-N 3Å
51	K	74.8	Confident	71.7	Confident	102 Å²	102	103 Å²	103	44%	0.443	52%	0.524	S	S	.	.	H	α-helix	trans	-64.6	-32.2	174	-88.6	-168.6	171.7	-177.9	0	113.7	L47 A48 A49 R55	L47-K51 HydrophobicContact CD2-CD 4.1Å; L47-K51 HydrophobicContact CD2-CG 4.33Å; L47-K51 WeakPolarHBondContact O-CB 3.34Å; L47-K51 PolarHBondContact O-N 3.47Å; A48-K51 PolarHBondContact O-N 2.71Å; A49-K51 PolarHBondContact O-N 2.91Å; K51-R55 WeakPolarHBondContact O-CB 3.49Å; K51-R55 PolarHBondContact O-N 3.36Å
52	R	72	Confident	72	Confident	99 Å²	99	96.5 Å²	96.5	37%	0.374	49%	0.494	S	S	.	.	H	α-helix	trans	-67.9	-43.7	171.9	-75.7	-176.1	-165.1	103.9	8.6	111.6	A48 A49 A50 R55 Q56 E928	A48-R52 WeakPolarHBondContact O-CG 3.39Å; A48-R52 PolarHBondContact O-N 2.72Å; A49-R52 PolarHBondContact O-N 2.84Å; A49-R52 VanDerWaalsContact O-N 3.15Å; A50-R52 PolarHBondContact O-N 3.3Å; R52-R55 PolarHBondContact O-N 2.91Å; R52-Q56 WeakPolarHBondContact O-CB 3.48Å; R52-Q56 WeakPolarHBondContact O-CG 3.02Å; R52-Q56 PolarHBondContact O-N 3.37Å; R52-E928 IonicContact NE-OE2 3.51Å; R52-E928 IonicContact NH2-OE2 3.46Å
53	A	77.7	Confident	72	Confident	42 Å²	42	98.1 Å²	98.1	35%	0.347	49%	0.489	S	S	.	.	H	α-helix	trans	-63.8	-39.9	174.9	0	0	0	0	0	111.9	A49 A50 R57	A49-A53 PolarHBondContact O-N 3.42Å; A50-A53 PolarHBondContact O-N 3.44Å; A53-R57 WeakPolarHBondContact O-CB 3.29Å; A53-R57 VanDerWaalsContact O-CG 3.24Å; A53-R57 WeakPolarHBondContact O-CG 3.41Å; A53-R57 PolarHBondContact O-N 3.33Å
54	E	75.7	Confident	72	Confident	124 Å²	124	102.2 Å²	102.2	58%	0.579	50%	0.501	S	S	*	.	H	α-helix	trans	-63.8	-48	172.7	-175.3	-176.8	-150.3	0	0	111.7	A50 Q56 R57 A58	A50-E54 WeakPolarHBondContact O-CB 2.85Å; A50-E54 PolarHBondContact O-N 3Å; E54-Q56 VanDerWaalsContact C-N 3.33Å; E54-Q56 PolarHBondContact O-N 3.16Å; E54-R57 CarbonylContact O-C 3.56Å; E54-R57 PolarHBondContact O-N 2.93Å; E54-A58 VanDerWaalsContact O-CB 3.28Å; E54-A58 WeakPolarHBondContact O-CB 3.48Å; E54-A58 PolarHBondContact O-N 3.46Å
55	R	71.6	Confident	71.2	Confident	120 Å²	120	102 Å²	102	45%	0.453	50%	0.501	S	S	.	.	H	α-helix	trans	-65.4	-35.3	178.7	-161.9	179.9	-163.8	-178	7.7	111.8	K51 R52 M59 E928 G1038	K51-R55 WeakPolarHBondContact O-CB 3.49Å; K51-R55 PolarHBondContact O-N 3.36Å; R52-R55 PolarHBondContact O-N 2.91Å; R55-M59 HydrophobicContact CG-CE 4.49Å; R55-M59 WeakPolarHBondContact O-CB 3.4Å; R55-M59 PolarHBondContact O-N 2.9Å; R55-E928 IonicContact CZ-OE1 3.2Å; R55-E928 IonicContact NH1-OE1 2.76Å; R55-E928 PolarHBondContact NH1-OE1 3.43Å; R55-G1038 PolarHBondContact NH2-O 3.39Å
56	Q	74.9	Confident	70.3	Confident	127 Å²	127	104.7 Å²	104.7	59%	0.593	51%	0.508	S	S	*	.	H	α-helix	trans	-64.4	-52.8	169.5	-79.5	179.6	-27.5	0	0	111	R52 E54 A58 M59 E60	R52-Q56 WeakPolarHBondContact O-CB 3.48Å; R52-Q56 WeakPolarHBondContact O-CG 3.02Å; R52-Q56 PolarHBondContact O-N 3.37Å; E54-Q56 VanDerWaalsContact C-N 3.33Å; E54-Q56 PolarHBondContact O-N 3.16Å; Q56-A58 PolarHBondContact O-N 3Å; Q56-M59 CarbonylContact O-C 3.48Å; Q56-M59 PolarHBondContact O-N 2.8Å; Q56-E60 WeakPolarHBondContact O-CB 3.28Å; Q56-E60 WeakPolarHBondContact O-CG 3.39Å; Q56-E60 PolarHBondContact O-N 3.25Å
57	R	74.6	Confident	69.2	Low	184 Å²	184	106.4 Å²	106.4	69%	0.694	51%	0.511	S	S	*	.	H	α-helix	trans	-57.1	-35.5	175.6	-75.4	171.3	175.3	-178.7	-1	112.7	A53 E54 K61	A53-R57 WeakPolarHBondContact O-CB 3.29Å; A53-R57 VanDerWaalsContact O-CG 3.24Å; A53-R57 WeakPolarHBondContact O-CG 3.41Å; A53-R57 PolarHBondContact O-N 3.33Å; E54-R57 CarbonylContact O-C 3.56Å; E54-R57 PolarHBondContact O-N 2.93Å; R57-K61 WeakPolarHBondContact O-CB 3.42Å; R57-K61 WeakPolarHBondContact O-CG 3.47Å; R57-K61 PolarHBondContact O-N 3.26Å
58	A	73.9	Confident	68	Low	55 Å²	55	106.4 Å²	106.4	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-73.2	-37	175.5	0	0	0	0	0	112.3	E54 Q56 S62	E54-A58 VanDerWaalsContact O-CB 3.28Å; E54-A58 WeakPolarHBondContact O-CB 3.48Å; E54-A58 PolarHBondContact O-N 3.46Å; Q56-A58 PolarHBondContact O-N 3Å; A58-S62 WeakPolarHBondContact O-CB 3.43Å; A58-S62 PolarHBondContact O-N 2.97Å
59	M	69.9	Low	66.8	Low	106 Å²	106	112.7 Å²	112.7	52%	0.522	53%	0.526	S	S	.	.	H	α-helix	trans	-70.8	-34.4	172.1	-122.2	-175	-69.6	0	0	112.2	R55 Q56 R63	R55-M59 HydrophobicContact CG-CE 4.49Å; R55-M59 WeakPolarHBondContact O-CB 3.4Å; R55-M59 PolarHBondContact O-N 2.9Å; Q56-M59 CarbonylContact O-C 3.48Å; Q56-M59 PolarHBondContact O-N 2.8Å; M59-R63 VanDerWaalsContact O-CB 3.25Å; M59-R63 WeakPolarHBondContact O-CB 3.41Å; M59-R63 VanDerWaalsContact O-CG 3.25Å; M59-R63 WeakPolarHBondContact O-CG 3.21Å; M59-R63 PolarHBondContact O-N 3.48Å
60	E	71.9	Confident	65.4	Low	132 Å²	132	118.8 Å²	118.8	62%	0.617	54%	0.538	S	S	*	.	H	α-helix	trans	-71	-46.8	174.7	-73.6	-172.3	145.3	0	0	111.3	Q56 R63 H64	Q56-E60 WeakPolarHBondContact O-CB 3.28Å; Q56-E60 WeakPolarHBondContact O-CG 3.39Å; Q56-E60 PolarHBondContact O-N 3.25Å; E60-R63 CarbonylContact O-C 3.27Å; E60-R63 PolarHBondContact O-N 3.48Å; E60-H64 WeakPolarHBondContact O-CB 3.19Å; E60-H64 PolarHBondContact O-N 3.4Å
61	K	69.5	Low	63.8	Low	147 Å²	147	125.8 Å²	125.8	64%	0.639	55%	0.551	S	S	*	*	H	α-helix	trans	-55.1	-53.4	167.4	-80.7	-170.9	174	-173	0	110.6	R57 R63 H64 D65	R57-K61 WeakPolarHBondContact O-CB 3.42Å; R57-K61 WeakPolarHBondContact O-CG 3.47Å; R57-K61 PolarHBondContact O-N 3.26Å; K61-R63 PolarHBondContact O-N 2.96Å; K61-R63 VanDerWaalsContact O-N 3.11Å; K61-H64 CarbonylContact O-C 3.59Å; K61-H64 WeakPolarHBondContact O-CA 3.45Å; K61-H64 PolarHBondContact O-N 3.03Å; K61-D65 WeakPolarHBondContact O-CB 3.4Å; K61-D65 PolarHBondContact O-N 3.11Å; K61-D65 VanDerWaalsContact O-OD2 3.07Å
62	S	67.5	Low	62.3	Low	42 Å²	42	127.3 Å²	127.3	29%	0.294	56%	0.559	S	S	.	*	H	α-helix	trans	-58	-32.7	177.8	-162.4	0	0	0	0	113.3	A58 K66	A58-S62 WeakPolarHBondContact O-CB 3.43Å; A58-S62 PolarHBondContact O-N 2.97Å; S62-K66 WeakPolarHBondContact O-CB 3.47Å; S62-K66 WeakPolarHBondContact O-CD 3.41Å; S62-K66 WeakPolarHBondContact O-CG 3.28Å; S62-K66 PolarHBondContact O-N 3.4Å; S62-K66 PolarHBondContact OG-NZ 3.41Å; S62-K66 VanDerWaalsContact OG-NZ 3.13Å
63	R	64	Low	60.6	Low	183 Å²	183	130.3 Å²	130.3	69%	0.691	58%	0.578	S	S	*	*	H	α-helix	trans	-76.4	-32.6	172.9	-81	175.9	166.7	-168.2	-2.6	113.2	M59 E60 K61 R67	M59-R63 VanDerWaalsContact O-CB 3.25Å; M59-R63 WeakPolarHBondContact O-CB 3.41Å; M59-R63 VanDerWaalsContact O-CG 3.25Å; M59-R63 WeakPolarHBondContact O-CG 3.21Å; M59-R63 PolarHBondContact O-N 3.48Å; E60-R63 CarbonylContact O-C 3.27Å; E60-R63 PolarHBondContact O-N 3.48Å; K61-R63 PolarHBondContact O-N 2.96Å; K61-R63 VanDerWaalsContact O-N 3.11Å; R63-R67 VanDerWaalsContact O-CB 3.29Å; R63-R67 WeakPolarHBondContact O-CB 3.44Å; R63-R67 WeakPolarHBondContact O-CG 3.28Å; R63-R67 PolarHBondContact O-N 2.75Å; R63-R67 VanDerWaalsContact O-N 3.14Å
64	H	58.3	Low	58.5	Low	113 Å²	113	131.7 Å²	131.7	52%	0.523	59%	0.585	S	S	.	*	H	α-helix	trans	-76.7	-46.2	177.9	-150.5	-65.9	0	0	0	110.6	E60 K61 R67 Q68	E60-H64 WeakPolarHBondContact O-CB 3.19Å; E60-H64 PolarHBondContact O-N 3.4Å; K61-H64 CarbonylContact O-C 3.59Å; K61-H64 WeakPolarHBondContact O-CA 3.45Å; K61-H64 PolarHBondContact O-N 3.03Å; H64-R67 CarbonylContact O-C 3.6Å; H64-R67 WeakPolarHBondContact O-CA 2.94Å; H64-R67 WeakPolarHBondContact O-CB 3.21Å; H64-R67 PolarHBondContact O-N 3.07Å; H64-Q68 PolarHBondContact CE1-OE1 2.67Å; H64-Q68 PolarHBondContact ND1-OE1 3.08Å; H64-Q68 PolarHBondContact O-N 3.41Å
65	D	57.1	Low	56.6	Low	85 Å²	85	133.5 Å²	133.5	46%	0.455	60%	0.598	S	S	.	*	H	α-helix	trans	-57.9	-52.5	170.7	-61.7	-34.1	0	0	0	110.2	K61 R67 Q68 Y69	K61-D65 WeakPolarHBondContact O-CB 3.4Å; K61-D65 PolarHBondContact O-N 3.11Å; K61-D65 VanDerWaalsContact O-OD2 3.07Å; D65-R67 PolarHBondContact O-N 2.78Å; D65-Q68 PolarHBondContact O-N 2.89Å; D65-Y69 WeakPolarHBondContact O-CB 3.44Å; D65-Y69 PolarHBondContact O-N 2.82Å
66	K	52.8	Low	55	Low	142 Å²	142	135 Å²	135	62%	0.617	61%	0.611	S	S	*	*	H	α-helix	trans	-66.6	-8.6	175.3	-69.5	169.1	-178.8	157.6	0	113.9	S62 R70	S62-K66 WeakPolarHBondContact O-CB 3.47Å; S62-K66 WeakPolarHBondContact O-CD 3.41Å; S62-K66 WeakPolarHBondContact O-CG 3.28Å; S62-K66 PolarHBondContact O-N 3.4Å; S62-K66 PolarHBondContact OG-NZ 3.41Å; S62-K66 VanDerWaalsContact OG-NZ 3.13Å; K66-R70 WeakPolarHBondContact O-CB 3.42Å; K66-R70 WeakPolarHBondContact O-CG 3.33Å
67	R	51	Low	53.4	Low	191 Å²	191	137.6 Å²	137.6	72%	0.721	62%	0.623	S	S	*	*	H	α-helix	trans	-94.6	-30.8	168	-83.2	175.4	166.8	-173	-3.1	113	R63 H64 D65 R71	R63-R67 VanDerWaalsContact O-CB 3.29Å; R63-R67 WeakPolarHBondContact O-CB 3.44Å; R63-R67 WeakPolarHBondContact O-CG 3.28Å; R63-R67 PolarHBondContact O-N 2.75Å; R63-R67 VanDerWaalsContact O-N 3.14Å; H64-R67 CarbonylContact O-C 3.6Å; H64-R67 WeakPolarHBondContact O-CA 2.94Å; H64-R67 WeakPolarHBondContact O-CB 3.21Å; H64-R67 PolarHBondContact O-N 3.07Å; D65-R67 PolarHBondContact O-N 2.78Å; R67-R71 WeakPolarHBondContact O-CB 3.47Å; R67-R71 WeakPolarHBondContact O-CG 3.43Å; R67-R71 PolarHBondContact O-N 3.3Å
68	Q	48.6	Very low	51.8	Low	95 Å²	95	135 Å²	135	44%	0.444	62%	0.622	S	S	.	*	H	α-helix	trans	-79.8	-44.9	174.2	-84	175.2	-82	0	0	111.9	H64 D65 R70 R71 H72	H64-Q68 PolarHBondContact CE1-OE1 2.67Å; H64-Q68 PolarHBondContact ND1-OE1 3.08Å; H64-Q68 PolarHBondContact O-N 3.41Å; D65-Q68 PolarHBondContact O-N 2.89Å; Q68-R70 PolarHBondContact O-N 2.85Å; Q68-R71 CarbonylContact O-C 3.53Å; Q68-R71 WeakPolarHBondContact O-CA 3.22Å; Q68-R71 PolarHBondContact O-N 2.91Å; Q68-H72 PolarHBondContact O-N 3.28Å
69	Y	44	Very low	50.6	Low	165 Å²	165	139.8 Å²	139.8	65%	0.647	64%	0.639	S	S	*	*	H	α-helix	trans	-55.8	-39.7	169.4	-112.4	-89.7	0	0	0	111.2	D65 R71 Q73	D65-Y69 WeakPolarHBondContact O-CB 3.44Å; D65-Y69 PolarHBondContact O-N 2.82Å; Y69-R71 PolarHBondContact O-N 3.28Å; Y69-Q73 VanDerWaalsContact O-CB 3.31Å; Y69-Q73 WeakPolarHBondContact O-CB 3.33Å; Y69-Q73 PolarHBondContact O-N 2.78Å
70	R	46.4	Very low	49.7	Very low	180 Å²	180	139.1 Å²	139.1	68%	0.679	65%	0.65	S	S	*	*	H	α-helix	trans	-77.8	5	172.8	-79.3	-173.2	154.9	-156.7	-11	115.4	K66 Q68	K66-R70 WeakPolarHBondContact O-CB 3.42Å; K66-R70 WeakPolarHBondContact O-CG 3.33Å; Q68-R70 PolarHBondContact O-N 2.85Å
71	R	44.2	Very low	48.8	Very low	208 Å²	208	136.8 Å²	136.8	79%	0.785	64%	0.641	S	S	*	*	H	α-helix	trans	-121.1	-20	174.1	-86.3	-174.3	165.4	-173.6	-4.3	114.5	R67 Q68 Y69	R67-R71 WeakPolarHBondContact O-CB 3.47Å; R67-R71 WeakPolarHBondContact O-CG 3.43Å; R67-R71 PolarHBondContact O-N 3.3Å; Q68-R71 CarbonylContact O-C 3.53Å; Q68-R71 WeakPolarHBondContact O-CA 3.22Å; Q68-R71 PolarHBondContact O-N 2.91Å; Y69-R71 PolarHBondContact O-N 3.28Å
72	H	41.9	Very low	48.3	Very low	134 Å²	134	133.7 Å²	133.7	62%	0.62	64%	0.636	S	S	*	*	H	α-helix	trans	-102.8	-4.4	175.7	-80.9	-85.3	0	0	0	114.2	Q68 S74	Q68-H72 PolarHBondContact O-N 3.28Å; H72-S74 PolarHBondContact O-N 2.98Å
73	Q	37.7	Very low	48.1	Very low	162 Å²	162	139.6 Å²	139.6	76%	0.757	66%	0.659	S	S	*	*			trans	-78.4	43.4	176.1	-157.2	162.2	47.6	0	0	113	Y69	Y69-Q73 VanDerWaalsContact O-CB 3.31Å; Y69-Q73 WeakPolarHBondContact O-CB 3.33Å; Y69-Q73 PolarHBondContact O-N 2.78Å
74	S	34.1	Very low	48.3	Very low	71 Å²	71	135 Å²	135	50%	0.497	66%	0.655	S	S	.	*	S	Bend	trans	-140.3	116.8	168.6	53.8	0	0	0	0	109.3	H72	H72-S74 PolarHBondContact O-N 2.98Å
75	D	34.2	Very low	48.7	Very low	161 Å²	161	132.9 Å²	132.9	86%	0.861	65%	0.65	S	S	*	*	S	Bend	trans	89	-12.3	153.8	-49.6	-22.5	0	0	0	122.1
76	E	39.5	Very low	48.8	Very low	153 Å²	153	134.8 Å²	134.8	72%	0.715	65%	0.651	S	S	*	*			trans	-106.4	-32	-173.9	-74.6	-170	120.2	0	0	119.3	L78	E76-L78 PolarHBondContact O-N 3.2Å
77	E	41.2	Very low	49.3	Very low	181 Å²	181	132.9 Å²	132.9	85%	0.846	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-76.8	10.6	-168.2	-68.1	-169.1	133.2	0	0	116.7	L79	E77-L79 VanDerWaalsContact C-N 3.26Å; E77-L79 PolarHBondContact O-N 3.04Å
78	L	40.2	Very low	50	Low	128 Å²	128	133.5 Å²	133.5	67%	0.67	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-79.7	4.3	-178.7	-87.3	169.3	0	0	0	115.6	E76 R86	E76-L78 PolarHBondContact O-N 3.2Å; L78-R86 PolarHBondContact O-NH1 2.57Å
79	L	48.2	Very low	50.9	Low	157 Å²	157	132.9 Å²	132.9	82%	0.822	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-114.6	-9.9	-166.2	-67.2	172.6	0	0	0	115.9	E77	E77-L79 VanDerWaalsContact C-N 3.26Å; E77-L79 PolarHBondContact O-N 3.04Å
80	A	52.4	Low	51.6	Low	92 Å²	92	127.4 Å²	127.4	76%	0.76	63%	0.631	S	S	*	*			trans	-92.8	-0.2	-170.4	0	0	0	0	0	116.3
81	I	52.4	Low	52.4	Low	83 Å²	83	127 Å²	127	43%	0.426	63%	0.629	S	S	.	*	S	Bend	trans	-92.7	123.3	-174.7	-54.2	176.7	0	0	0	111	V85 R86	I81-V85 HydrophobicContact CG2-CB 4.04Å; I81-V85 HydrophobicContact CG2-CG1 4.09Å; I81-R86 HydrophobicContact CG2-CB 4.03Å
82	P	58.7	Low	53.1	Low	81 Å²	81	124 Å²	124	53%	0.526	62%	0.622	S	S	.	*			trans	-55.9	139	173.4	-25.6	34.7	0	0	0	112.5	S84 V85 R86	P82-S84 VanDerWaalsContact C-N 3.26Å; P82-S84 PolarHBondContact O-N 3.34Å; P82-S84 VanDerWaalsContact O-N 3.16Å; P82-V85 HydrophobicContact CB-CG2 4.37Å; P82-V85 PolarHBondContact O-N 3.49Å; P82-R86 PolarHBondContact O-N 2.95Å
83	Q	62.7	Low	53.7	Low	166 Å²	166	122.9 Å²	122.9	78%	0.776	62%	0.62	S	S	*	*	H	α-helix	trans	-54.8	-38.8	-175	-76.2	-178.3	-24.3	0	0	113.3	V85 R86 E87	Q83-V85 VanDerWaalsContact C-N 3.33Å; Q83-V85 PolarHBondContact O-N 3.12Å; Q83-R86 PolarHBondContact O-N 3.46Å; Q83-E87 WeakPolarHBondContact O-CB 3.25Å; Q83-E87 PolarHBondContact O-N 3.12Å
84	S	68.2	Low	54.3	Low	87 Å²	87	123.8 Å²	123.8	61%	0.608	62%	0.621	S	S	*	*	H	α-helix	trans	-60.3	-38.3	176.7	53.2	0	0	0	0	113.4	P82 R88	P82-S84 VanDerWaalsContact C-N 3.26Å; P82-S84 PolarHBondContact O-N 3.34Å; P82-S84 VanDerWaalsContact O-N 3.16Å; S84-R88 WeakPolarHBondContact O-CB 3.31Å; S84-R88 PolarHBondContact O-N 3.27Å; S84-R88 VanDerWaalsContact O-N 3.16Å
85	V	68.2	Low	54.9	Low	68 Å²	68	123.4 Å²	123.4	41%	0.412	63%	0.628	S	S	.	*	H	α-helix	trans	-75.3	-42.6	176.4	-179	0	0	0	0	110.3	I81 P82 Q83 E87 R88 I89	I81-V85 HydrophobicContact CG2-CB 4.04Å; I81-V85 HydrophobicContact CG2-CG1 4.09Å; P82-V85 HydrophobicContact CB-CG2 4.37Å; P82-V85 PolarHBondContact O-N 3.49Å; Q83-V85 VanDerWaalsContact C-N 3.33Å; Q83-V85 PolarHBondContact O-N 3.12Å; V85-E87 VanDerWaalsContact C-N 3.32Å; V85-E87 PolarHBondContact O-N 3.35Å; V85-R88 PolarHBondContact O-N 3.47Å; V85-I89 HydrophobicContact CG1-CD1 3.8Å; V85-I89 HydrophobicContact CG1-CG1 4.36Å; V85-I89 WeakPolarHBondContact O-CG1 3.47Å; V85-I89 PolarHBondContact O-N 3.45Å
86	R	59.2	Low	55.3	Low	126 Å²	126	122.5 Å²	122.5	48%	0.475	62%	0.619	S	S	.	*	H	α-helix	trans	-59.6	-41.7	176.7	-164.7	172.9	-175.5	143.8	2	111.6	L78 I81 P82 Q83 S90	L78-R86 PolarHBondContact O-NH1 2.57Å; I81-R86 HydrophobicContact CG2-CB 4.03Å; P82-R86 PolarHBondContact O-N 2.95Å; Q83-R86 PolarHBondContact O-N 3.46Å; R86-S90 WeakPolarHBondContact O-CB 3.5Å; R86-S90 PolarHBondContact O-N 3.37Å; R86-S90 PolarHBondContact O-OG 3.35Å
87	E	63	Low	55.2	Low	102 Å²	102	123.9 Å²	123.9	48%	0.477	63%	0.625	S	S	.	*	H	α-helix	trans	-61.6	-52.2	171.2	-85.1	-159	-160.6	0	0	112.2	Q83 V85 I89 S90 R91	Q83-E87 WeakPolarHBondContact O-CB 3.25Å; Q83-E87 PolarHBondContact O-N 3.12Å; V85-E87 VanDerWaalsContact C-N 3.32Å; V85-E87 PolarHBondContact O-N 3.35Å; E87-I89 VanDerWaalsContact C-N 3.31Å; E87-I89 PolarHBondContact O-N 3.16Å; E87-S90 WeakPolarHBondContact CA-OG 3.49Å; E87-S90 PolarHBondContact O-N 2.7Å; E87-S90 VanDerWaalsContact O-N 3.07Å; E87-S90 PolarHBondContact O-OG 3.42Å; E87-R91 WeakPolarHBondContact O-CG 3.25Å; E87-R91 PolarHBondContact O-N 2.99Å; E87-R91 IonicContact OE2-CZ 3.53Å; E87-R91 IonicContact OE2-NE 2.81Å; E87-R91 IonicContact OE2-NH2 3.4Å; E87-R91 PolarHBondContact OE2-NH2 3.25Å
88	R	65.3	Low	54.9	Low	203 Å²	203	118.7 Å²	118.7	77%	0.766	62%	0.621	S	S	*	*	H	α-helix	trans	-59.7	-41.2	-176.3	-160.4	171.7	-176.2	-179.3	-0.6	111.8	S84 V85 F92	S84-R88 WeakPolarHBondContact O-CB 3.31Å; S84-R88 PolarHBondContact O-N 3.27Å; S84-R88 VanDerWaalsContact O-N 3.16Å; V85-R88 PolarHBondContact O-N 3.47Å; R88-F92 PolarHBondContact O-N 3.19Å; R88-F92 VanDerWaalsContact O-N 3.16Å
89	I	67	Low	54.6	Low	82 Å²	82	121.1 Å²	121.1	42%	0.421	63%	0.628	S	S	.	*	H	α-helix	trans	-65.9	-45.3	172.9	-67.5	173.2	0	0	0	111	V85 E87 R91 F92 I93	V85-I89 HydrophobicContact CG1-CD1 3.8Å; V85-I89 HydrophobicContact CG1-CG1 4.36Å; V85-I89 WeakPolarHBondContact O-CG1 3.47Å; V85-I89 PolarHBondContact O-N 3.45Å; E87-I89 VanDerWaalsContact C-N 3.31Å; E87-I89 PolarHBondContact O-N 3.16Å; I89-R91 VanDerWaalsContact C-N 3.32Å; I89-R91 PolarHBondContact O-N 2.87Å; I89-F92 PolarHBondContact O-N 3.2Å; I89-F92 VanDerWaalsContact O-N 3.15Å; I89-I93 HydrophobicContact CG2-CD1 3.62Å; I89-I93 HydrophobicContact CG2-CG1 4.25Å; I89-I93 WeakPolarHBondContact O-CG1 3.31Å; I89-I93 PolarHBondContact O-N 2.92Å
90	S	59.1	Low	53.9	Low	50 Å²	50	120.6 Å²	120.6	35%	0.35	63%	0.626	S	S	.	*	H	α-helix	trans	-64.1	-33.5	179.1	73.7	0	0	0	0	113.6	R86 E87 K94	R86-S90 WeakPolarHBondContact O-CB 3.5Å; R86-S90 PolarHBondContact O-N 3.37Å; R86-S90 PolarHBondContact O-OG 3.35Å; E87-S90 WeakPolarHBondContact CA-OG 3.49Å; E87-S90 PolarHBondContact O-N 2.7Å; E87-S90 VanDerWaalsContact O-N 3.07Å; E87-S90 PolarHBondContact O-OG 3.42Å; S90-K94 VanDerWaalsContact O-CB 3.26Å; S90-K94 WeakPolarHBondContact O-CB 3.36Å; S90-K94 VanDerWaalsContact O-CG 3.32Å; S90-K94 WeakPolarHBondContact O-CG 3.35Å; S90-K94 PolarHBondContact O-N 2.91Å
91	R	62.8	Low	53.1	Low	172 Å²	172	122.3 Å²	122.3	65%	0.649	62%	0.623	S	S	*	*	H	α-helix	trans	-68.4	-38.1	172.8	-68.2	-174.7	-138.1	169.1	2.9	111.6	E87 I89 G95	E87-R91 WeakPolarHBondContact O-CG 3.25Å; E87-R91 PolarHBondContact O-N 2.99Å; E87-R91 IonicContact OE2-CZ 3.53Å; E87-R91 IonicContact OE2-NE 2.81Å; E87-R91 IonicContact OE2-NH2 3.4Å; E87-R91 PolarHBondContact OE2-NH2 3.25Å; I89-R91 VanDerWaalsContact C-N 3.32Å; I89-R91 PolarHBondContact O-N 2.87Å; R91-G95 PolarHBondContact O-N 3.11Å
92	F	59.4	Low	52.3	Low	144 Å²	144	128.7 Å²	128.7	63%	0.632	64%	0.641	S	S	*	*	H	α-helix	trans	-66.5	-48.9	175.7	-168	-97	0	0	0	111.7	R88 I89 G95	R88-F92 PolarHBondContact O-N 3.19Å; R88-F92 VanDerWaalsContact O-N 3.16Å; I89-F92 PolarHBondContact O-N 3.2Å; I89-F92 VanDerWaalsContact O-N 3.15Å; F92-G95 PolarHBondContact O-N 3.07Å
93	I	54.9	Low	51.1	Low	112 Å²	112	136.5 Å²	136.5	57%	0.574	66%	0.66	S	S	*	*	H	α-helix	trans	-66.9	-38.5	-179.4	-65.4	175.9	0	0	0	111.8	I89 G95	I89-I93 HydrophobicContact CG2-CD1 3.62Å; I89-I93 HydrophobicContact CG2-CG1 4.25Å; I89-I93 WeakPolarHBondContact O-CG1 3.31Å; I89-I93 PolarHBondContact O-N 2.92Å; I93-G95 PolarHBondContact O-N 3.05Å
94	K	50.8	Low	49.8	Very low	180 Å²	180	131.8 Å²	131.8	78%	0.783	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-12.1	172.7	-76	-176.7	173.9	-175.7	0	113.8	S90	S90-K94 VanDerWaalsContact O-CB 3.26Å; S90-K94 WeakPolarHBondContact O-CB 3.36Å; S90-K94 VanDerWaalsContact O-CG 3.32Å; S90-K94 WeakPolarHBondContact O-CG 3.35Å; S90-K94 PolarHBondContact O-N 2.91Å
95	G	45.6	Very low	48.1	Very low	63 Å²	63	135.5 Å²	135.5	65%	0.649	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-12.6	-177.6	0	0	0	0	0	115.9	R91 F92 I93	R91-G95 PolarHBondContact O-N 3.11Å; F92-G95 PolarHBondContact O-N 3.07Å; I93-G95 PolarHBondContact O-N 3.05Å
96	Q	43.2	Very low	46.5	Very low	143 Å²	143	140.7 Å²	140.7	67%	0.668	69%	0.688	S	S	*	*	S	Bend	trans	-112.9	-1.9	-169.9	-70	-161.8	-20.5	0	0	116.4
97	H	37.2	Very low	45.3	Very low	181 Å²	181	139.1 Å²	139.1	84%	0.838	70%	0.702	S	S	*	*	S	Bend	trans	-131.5	92.1	174.7	-71.7	-51.6	0	0	0	111.3
98	G	33.7	Very low	44	Very low	73 Å²	73	139.5 Å²	139.5	75%	0.753	72%	0.716	S	S	*	*			trans	167.1	48.7	177.3	0	0	0	0	0	118.9
99	H	34.6	Very low	42.4	Very low	178 Å²	178	134.5 Å²	134.5	82%	0.824	71%	0.713	S	S	*	*			trans	-167	104	140	-126.7	-65.1	0	0	0	112.5
100	D	34.3	Very low	41	Very low	147 Å²	147	138.7 Å²	138.7	79%	0.786	73%	0.732	S	S	*	*			trans	-88.6	178	148.4	-89.3	-55.3	0	0	0	109
101	D	35.5	Very low	40.1	Very low	128 Å²	128	142.6 Å²	142.6	68%	0.684	75%	0.749	S	S	*	*			trans	58.9	91.4	167.6	-74	-11.1	0	0	0	118.1
102	R	35.4	Very low	38.9	Very low	216 Å²	216	142.1 Å²	142.1	82%	0.815	75%	0.752	S	S	*	*				161.3	135	106.3	-86.1	153.6	-169.9	-153.5	1.2	114.5
103	R	33.7	Very low	38	Very low	246 Å²	246	144.5 Å²	144.5	93%	0.928	76%	0.762	S	S	*	*			trans	65.7	151.1	162.3	-57.8	164.4	-179.7	177.8	-2.4	115.9
104	G	33.9	Very low	37	Very low	67 Å²	67	142.7 Å²	142.7	69%	0.691	77%	0.771	S	S	*	*			cis	139.3	107.8	-12.7	0	0	0	0	0	114.6
105	L	33.9	Very low	36.4	Very low	165 Å²	165	146 Å²	146	86%	0.864	78%	0.778	S	S	*	*			trans	69.6	160.2	160.6	-67.7	164.2	0	0	0	119.6
106	E	34.3	Very low	36.1	Very low	176 Å²	176	148 Å²	148	82%	0.822	78%	0.78	S	S	*	*			trans	67.1	118.2	168	-75.1	156.2	-129.2	0	0	117.1
107	A	34.1	Very low	35.6	Very low	94 Å²	94	147.9 Å²	147.9	78%	0.777	79%	0.789	S	S	*	*				88.5	143.6	66	0	0	0	0	0	112.1
108	S	34.5	Very low	35.5	Very low	110 Å²	110	143.3 Å²	143.3	77%	0.769	79%	0.791	S	S	*	*			cis	-163.6	170.4	-12	55.9	0	0	0	0	110.6
109	S	32.9	Very low	35.5	Very low	98 Å²	98	144 Å²	144	69%	0.685	80%	0.798	S	S	*	*			trans	40.9	131.1	151.9	-163.1	0	0	0	0	122.4
110	M	38.1	Very low	35.4	Very low	170 Å²	170	141 Å²	141	84%	0.837	80%	0.797	S	S	*	*				-164.4	142.1	128.3	-108.1	-179.1	84.3	0	0	113.2
111	D	38.4	Very low	35.6	Very low	131 Å²	131	146 Å²	146	70%	0.701	81%	0.805	S	S	*	*			trans	-85.4	163.6	-171.9	-52.5	-94.6	0	0	0	116.6
112	K	39.2	Very low	35.5	Very low	162 Å²	162	149.4 Å²	149.4	70%	0.704	81%	0.814	S	S	*	*				178.4	129.5	106.7	-92.8	148.1	-166.8	163.3	0	116
113	K	39	Very low	35.6	Very low	194 Å²	194	151.5 Å²	151.5	84%	0.843	82%	0.822	S	S	*	*			trans	54.1	134.2	139.5	-55.4	172.4	-179.5	-177.7	0	119.5
114	G	35.5	Very low	35.5	Very low	74 Å²	74	144.7 Å²	144.7	76%	0.763	82%	0.818	S	S	*	*			cis	109.7	109.5	-8.3	0	0	0	0	0	116.4
115	R	38.5	Very low	35.7	Very low	250 Å²	250	146.4 Å²	146.4	94%	0.943	83%	0.825	S	S	*	*			trans	-165.1	152.8	151	-116.9	178.3	179.7	-169.8	-1.6	113.1
116	P	37.9	Very low	35.6	Very low	105 Å²	105	147.2 Å²	147.2	68%	0.682	83%	0.825	S	S	*	*			trans	-133.5	170.9	-163.6	43.8	-27.5	0	0	0	117.9
117	T	34	Very low	35.4	Very low	141 Å²	141	147 Å²	147	87%	0.865	82%	0.823	S	S	*	*			trans	38.7	131	145.6	56.8	0	0	0	0	122.9
118	G	34.3	Very low	35.2	Very low	84 Å²	84	154.1 Å²	154.1	87%	0.866	83%	0.83	S	S	*	*			trans	164.3	144.5	148.4	0	0	0	0	0	116.2
119	G	34.1	Very low	35.1	Very low	87 Å²	87	159 Å²	159	90%	0.897	84%	0.838	S	S	*	*			trans	122	110.3	162.6	0	0	0	0	0	116.6
120	S	32.1	Very low	35	Very low	116 Å²	116	166 Å²	166	81%	0.811	85%	0.85	S	S	*	*			trans	-125.3	142.7	174.1	173.7	0	0	0	0	111.1
121	R	39.1	Very low	34.8	Very low	251 Å²	251	162.1 Å²	162.1	95%	0.947	84%	0.844	S	S	*	*			trans	-157.5	137.6	160.2	-114.2	165.2	-169.7	-175.6	2.4	112.9
122	K	33.7	Very low	34.5	Very low	201 Å²	201	162 Å²	162	87%	0.874	85%	0.85	S	S	*	*			trans	-85.4	149.3	177.8	-58.1	173.9	179.4	177.9	0	111.4
123	R	37.3	Very low	34.1	Very low	260 Å²	260	158.8 Å²	158.8	98%	0.981	85%	0.854	S	S	*	*			trans	-159.8	154.1	138.2	-110.2	170.5	-174.3	-171.9	-0	109.6
124	A	31.6	Very low	33.7	Very low	103 Å²	103	155.5 Å²	155.5	85%	0.851	85%	0.851	S	S	*	*			trans	-121.1	149.8	-173.9	0	0	0	0	0	111.3
125	A	37.1	Very low	33.3	Very low	103 Å²	103	156.3 Å²	156.3	85%	0.851	84%	0.843	S	S	*	*			trans	-148.4	152.5	170.7	0	0	0	0	0	109.8
126	Q	32.4	Very low	32.9	Very low	182 Å²	182	152.4 Å²	152.4	85%	0.85	84%	0.839	S	S	*	*			trans	-87.5	157.3	-160.3	-67.1	139.6	-48.9	0	0	115.6
127	H	30.1	Very low	32.5	Very low	171 Å²	171	155.7 Å²	155.7	79%	0.792	84%	0.843	S	S	*	*			trans	31.4	118.7	148.3	-78.1	-98.4	0	0	0	120.4
128	R	29.6	Very low	32.3	Very low	243 Å²	243	158 Å²	158	92%	0.917	84%	0.841	S	S	*	*				-163.7	156.8	108	-103.3	164.7	-172.9	-166.7	1.4	110.9
129	F	31.5	Very low	32.2	Very low	214 Å²	214	158.7 Å²	158.7	94%	0.939	83%	0.829	S	S	*	*			trans	-61.6	137	-178.1	-77.4	-100.6	0	0	0	111.7
130	R	31.2	Very low	32	Very low	245 Å²	245	160.6 Å²	160.6	93%	0.925	83%	0.825	S	S	*	*			trans	-144.4	139.1	167.1	-152.9	173.3	-169	179.2	2.7	108.9
131	A	33.9	Very low	32.3	Very low	87 Å²	87	157.9 Å²	157.9	72%	0.719	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-60.9	152.8	179.7	0	0	0	0	0	111.6	A133	A131-A133 PolarHBondContact O-N 3Å
132	P	33.2	Very low	32.1	Very low	128 Å²	128	148.9 Å²	148.9	83%	0.831	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-61.5	131.9	-180	25.8	-34.7	0	0	0	111
133	A	30	Very low	32.3	Very low	96 Å²	96	143.6 Å²	143.6	79%	0.793	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-70.2	131.1	170.5	0	0	0	0	0	109.5	A131	A131-A133 PolarHBondContact O-N 3Å
134	T	30.9	Very low	32.2	Very low	125 Å²	125	134.7 Å²	134.7	77%	0.767	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-66	131.9	177.9	25.3	0	0	0	0	111
135	P	27.7	Very low	32.1	Very low	91 Å²	91	140 Å²	140	59%	0.591	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-69.2	137.5	177.1	27	-33.4	0	0	0	111.6	F137	P135-F137 VanDerWaalsContact C-N 3.28Å; P135-F137 HydrophobicContact CB-CD2 3.98Å; P135-F137 HydrophobicContact CB-CE2 3.8Å; P135-F137 HydrophobicContact CG-CD2 3.73Å; P135-F137 HydrophobicContact CG-CE2 3.49Å; P135-F137 VanDerWaalsContact CG-CE2 3.49Å; P135-F137 PolarHBondContact O-N 3.5Å
136	L	29.9	Very low	31.9	Very low	167 Å²	167	137.5 Å²	137.5	87%	0.874	73%	0.727	S	S	*	*			trans	-75.8	69.9	-179.2	-79.4	163.1	0	0	0	112.5	K138	L136-K138 PolarHBondContact O-N 2.94Å
137	F	28.9	Very low	31.9	Very low	175 Å²	175	134.6 Å²	134.6	77%	0.768	72%	0.717	S	S	*	*			trans	-74.3	89.5	172.6	-77	-70.6	0	0	0	111.8	P135 V139	P135-F137 VanDerWaalsContact C-N 3.28Å; P135-F137 HydrophobicContact CB-CD2 3.98Å; P135-F137 HydrophobicContact CB-CE2 3.8Å; P135-F137 HydrophobicContact CG-CD2 3.73Å; P135-F137 HydrophobicContact CG-CE2 3.49Å; P135-F137 VanDerWaalsContact CG-CE2 3.49Å; P135-F137 PolarHBondContact O-N 3.5Å; F137-V139 PolarHBondContact O-N 3.31Å
138	K	29.1	Very low	32.2	Very low	189 Å²	189	135.8 Å²	135.8	82%	0.822	71%	0.714	S	S	*	*			trans	-76.5	97.1	164.8	-69.2	-172.8	176.8	-174.9	0	109.6	L136 P140	L136-K138 PolarHBondContact O-N 2.94Å; K138-P140 WeakPolarHBondContact O-CD 3.33Å
139	V	33.7	Very low	32.6	Very low	99 Å²	99	129.7 Å²	129.7	60%	0.6	70%	0.7	S	S	*	*			trans	-65.7	120.9	177.6	-177.2	0	0	0	0	110.3	F137 T142	F137-V139 PolarHBondContact O-N 3.31Å; V139-T142 HydrophobicContact CB-CG2 4.32Å
140	P	29.7	Very low	32.6	Very low	126 Å²	126	123.3 Å²	123.3	82%	0.818	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	136.4	171.5	-13.6	30	0	0	0	110.6	K138	K138-P140 WeakPolarHBondContact O-CD 3.33Å
141	G	36.9	Very low	32.6	Very low	59 Å²	59	118.8 Å²	118.8	61%	0.608	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	92.7	14.3	175.3	0	0	0	0	0	115.8
142	T	36.3	Very low	32.4	Very low	62 Å²	62	120.6 Å²	120.6	38%	0.38	67%	0.672	S	S	.	*			trans	-62.9	153.3	159.8	44.8	0	0	0	0	110.9	V139 S144	V139-T142 HydrophobicContact CB-CG2 4.32Å; T142-S144 PolarHBondContact O-N 2.87Å; T142-S144 PolarHBondContact OG1-OG 2.6Å
143	P	37.6	Very low	32.3	Very low	90 Å²	90	122.1 Å²	122.1	58%	0.584	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-59.4	-18.1	-175.2	-27.1	36.1	0	0	0	115.6	R145 S146	P143-R145 PolarHBondContact O-N 3.41Å; P143-S146 PolarHBondContact O-N 2.88Å; P143-S146 PolarHBondContact O-OG 3.39Å
144	S	34.5	Very low	32.3	Very low	73 Å²	73	126.5 Å²	126.5	51%	0.51	68%	0.677	S	S	.	*	G	3₁₀ helix	trans	-69.3	19	-178	54.1	0	0	0	0	115.8	T142	T142-S144 PolarHBondContact O-N 2.87Å; T142-S144 PolarHBondContact OG1-OG 2.6Å
145	R	29.2	Very low	32.3	Very low	214 Å²	214	126.2 Å²	126.2	81%	0.808	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-134.3	8.8	178.1	-67.3	-158.5	69.3	-176.2	-1.5	116.1	P143 N147	P143-R145 PolarHBondContact O-N 3.41Å; R145-N147 VanDerWaalsContact C-N 3.3Å; R145-N147 PolarHBondContact O-N 3.36Å
146	S	34.2	Very low	32.3	Very low	52 Å²	52	126.1 Å²	126.1	36%	0.364	68%	0.682	S	S	.	*			trans	-81.3	70	171.5	58.8	0	0	0	0	112.1	P143 W148	P143-S146 PolarHBondContact O-N 2.88Å; P143-S146 PolarHBondContact O-OG 3.39Å; S146-W148 PolarHBondContact O-N 2.93Å
147	N	31.9	Very low	32.3	Very low	120 Å²	120	127.1 Å²	127.1	64%	0.642	68%	0.679	S	S	*	*			trans	-68.8	121.8	166.9	-96.8	42.4	0	0	0	109	R145 D150	R145-N147 VanDerWaalsContact C-N 3.3Å; R145-N147 PolarHBondContact O-N 3.36Å; N147-D150 PolarHBondContact ND2-OD2 3.29Å
148	W	35.8	Very low	32.2	Very low	196 Å²	196	130 Å²	130	74%	0.742	69%	0.685	S	S	*	*			trans	-115	12.8	-178.8	-91.2	101.1	0	0	0	113.4	S146	S146-W148 PolarHBondContact O-N 2.93Å
149	D	37.8	Very low	32.4	Very low	115 Å²	115	126.4 Å²	126.4	62%	0.615	68%	0.684	S	S	*	*	S	Bend	trans	-132.9	17.1	-163.1	-136.9	23.9	0	0	0	113.5
150	D	33.3	Very low	32	Very low	80 Å²	80	132.1 Å²	132.1	43%	0.428	70%	0.7	S	S	.	*	S	Bend	trans	-117.4	4.4	-178.9	-76.3	-72.8	0	0	0	114.3	N147 R1087	N147-D150 PolarHBondContact ND2-OD2 3.29Å; D150-R1087 IonicContact OD1-CZ 2.71Å; D150-R1087 IonicContact OD1-NH1 2.75Å; D150-R1087 PolarHBondContact OD1-NH1 3.5Å; D150-R1087 IonicContact OD1-NH2 3.89Å; D150-R1087 PolarHBondContact OD1-NH2 3Å; D150-R1087 IonicContact OD2-NH2 3.82Å
151	D	29.8	Very low	32	Very low	151 Å²	151	131.6 Å²	131.6	81%	0.807	70%	0.7	S	S	*	*			trans	-113.1	50.3	-174.3	-89	-48.9	0	0	0	114
152	V	30.6	Very low	31.7	Very low	125 Å²	125	135.2 Å²	135.2	76%	0.758	71%	0.71	S	S	*	*	S	Bend	trans	-124.8	129.9	158.9	-76.3	0	0	0	0	109.5
153	D	30.1	Very low	31.5	Very low	159 Å²	159	137.8 Å²	137.8	85%	0.85	73%	0.731	S	S	*	*	S	Bend	trans	54.9	76.4	174.2	-57.4	-37.3	0	0	0	117.7
154	E	30.2	Very low	31	Very low	189 Å²	189	138.6 Å²	138.6	88%	0.883	74%	0.739	S	S	*	*	S	Bend		-179.2	-25.5	122	-102.3	-160.7	155.5	0	0	115.1	A156	E154-A156 PolarHBondContact O-N 2.88Å
155	V	30.9	Very low	30.7	Very low	118 Å²	118	144.7 Å²	144.7	72%	0.715	75%	0.751	S	S	*	*			trans	-77.6	33.8	-163.1	-157.6	0	0	0	0	115.1	K157	V155-K157 PolarHBondContact O-N 3.12Å
156	A	27.9	Very low	30.8	Very low	90 Å²	90	142 Å²	142	74%	0.744	75%	0.752	S	S	*	*			trans	-76.3	38.4	179.9	0	0	0	0	0	114.7	E154	E154-A156 PolarHBondContact O-N 2.88Å
157	K	29.1	Very low	30.8	Very low	188 Å²	188	146.8 Å²	146.8	82%	0.817	77%	0.773	S	S	*	*	S	Bend	trans	-171.2	89.1	168.9	-92	130.7	-174.6	174.2	0	112.8	V155	V155-K157 PolarHBondContact O-N 3.12Å
158	R	28.4	Very low	30.9	Very low	235 Å²	235	146.4 Å²	146.4	89%	0.887	78%	0.777	S	S	*	*	S	Bend	trans	157.2	164.4	139.6	-86.7	157.1	177.8	-177.3	-1.1	112.3
159	S	32.1	Very low	30.6	Very low	114 Å²	114	143 Å²	143	80%	0.797	78%	0.778	S	S	*	*			trans	52.2	104	176	49	0	0	0	0	117.7
160	K	24.9	Very low	30.4	Very low	218 Å²	218	142.9 Å²	142.9	95%	0.948	78%	0.784	S	S	*	*			trans	-74.7	124.5	156.4	-67.1	-179.9	177.7	-179.1	0	108.6
161	S	31.3	Very low	30.2	Very low	116 Å²	116	146 Å²	146	81%	0.811	80%	0.799	S	S	*	*			trans	-136.4	99.3	175.1	178	0	0	0	0	109.5
162	T	29.6	Very low	30.1	Very low	135 Å²	135	146.9 Å²	146.9	83%	0.828	80%	0.803	S	S	*	*			trans	-73	126.2	-177.6	45.8	0	0	0	0	111.9
163	S	31.5	Very low	30	Very low	116 Å²	116	147.2 Å²	147.2	81%	0.811	81%	0.805	S	S	*	*			trans	-73	121.6	175.7	50.5	0	0	0	0	112	W165	S163-W165 PolarHBondContact O-N 2.74Å
164	S	27	Very low	30	Very low	107 Å²	107	143 Å²	143	75%	0.748	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	72.3	-172.3	60.5	0	0	0	0	113.6
165	W	30.1	Very low	30.2	Very low	201 Å²	201	139.1 Å²	139.1	76%	0.761	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.4	-2.1	170.7	-86.9	105.9	0	0	0	117	S163 L167	S163-W165 PolarHBondContact O-N 2.74Å; W165-L167 PolarHBondContact O-N 3.39Å
166	D	31.2	Very low	30.1	Very low	156 Å²	156	143.6 Å²	143.6	83%	0.834	80%	0.797	S	S	*	*	S	Bend	trans	-74.8	118.3	157.8	-75.3	-47.7	0	0	0	109.4
167	L	34.3	Very low	30.3	Very low	153 Å²	153	146 Å²	146	80%	0.801	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-64.4	125.9	159.9	-81.6	167.3	0	0	0	107.4	W165 T169	W165-L167 PolarHBondContact O-N 3.39Å; L167-T169 PolarHBondContact O-N 3.19Å; L167-T169 VanDerWaalsContact O-N 3.12Å
168	P	32.9	Very low	30.4	Very low	112 Å²	112	144.4 Å²	144.4	73%	0.727	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-65.6	118.6	-161.2	23.7	-34.1	0	0	0	111.7	P170	P168-P170 WeakPolarHBondContact O-CD 3.4Å
169	T	30.4	Very low	30.6	Very low	124 Å²	124	137.6 Å²	137.6	76%	0.761	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-63.1	120.6	159.1	-62.4	0	0	0	0	107	L167 I171	L167-T169 PolarHBondContact O-N 3.19Å; L167-T169 VanDerWaalsContact O-N 3.12Å; T169-I171 PolarHBondContact O-N 3.49Å
170	P	33	Very low	30.6	Very low	114 Å²	114	137.4 Å²	137.4	74%	0.74	79%	0.79	S	S	*	*			trans	-71.8	97.3	-172.8	27.6	-34.1	0	0	0	110.7	P168 L172	P168-P170 WeakPolarHBondContact O-CD 3.4Å; P170-L172 PolarHBondContact O-N 2.98Å
171	I	28.8	Very low	31	Very low	145 Å²	145	133.2 Å²	133.2	74%	0.744	78%	0.783	S	S	*	*			trans	-69.7	117.3	166	-62.3	176.8	0	0	0	107.2	T169 T173	T169-I171 PolarHBondContact O-N 3.49Å; I171-T173 VanDerWaalsContact C-N 3.32Å; I171-T173 HydrophobicContact CG2-CG2 4.44Å; I171-T173 PolarHBondContact O-N 2.83Å
172	L	28.6	Very low	31	Very low	170 Å²	170	137.1 Å²	137.1	89%	0.89	79%	0.788	S	S	*	*			trans	-68.3	83.7	178.8	-77.1	163	0	0	0	111.3	P170 G174	P170-L172 PolarHBondContact O-N 2.98Å; L172-G174 PolarHBondContact O-N 2.61Å
173	T	28.2	Very low	31.2	Very low	132 Å²	132	142 Å²	142	81%	0.81	79%	0.792	S	S	*	*			trans	-79.5	59.4	164	58.2	0	0	0	0	110.2	I171	I171-T173 VanDerWaalsContact C-N 3.32Å; I171-T173 HydrophobicContact CG2-CG2 4.44Å; I171-T173 PolarHBondContact O-N 2.83Å
174	G	30	Very low	31.2	Very low	69 Å²	69	141 Å²	141	71%	0.711	79%	0.785	S	S	*	*			trans	-72.8	121.7	172.1	0	0	0	0	0	110.3	L172	L172-G174 PolarHBondContact O-N 2.61Å
175	S	33.3	Very low	31.4	Very low	109 Å²	109	142.8 Å²	142.8	76%	0.762	79%	0.785	S	S	*	*			trans	-85.7	119.1	175.5	166.6	0	0	0	0	110.7
176	R	30	Very low	31.7	Very low	212 Å²	212	141.3 Å²	141.3	80%	0.8	79%	0.79	S	S	*	*	S	Bend	trans	75.3	143.7	159.8	-91.7	-177.2	172.8	139	-1.9	119
177	D	32.4	Very low	31.8	Very low	139 Å²	139	138 Å²	138	74%	0.743	78%	0.779	S	S	*	*			trans	76.7	142	155.8	-47.8	-23.3	0	0	0	119.6
178	D	31.5	Very low	31.9	Very low	155 Å²	155	135.5 Å²	135.5	83%	0.829	77%	0.766	S	S	*	*			trans	57.6	82.7	171.7	-61.9	-13.5	0	0	0	122.5
179	A	30.8	Very low	32	Very low	92 Å²	92	142 Å²	142	76%	0.76	78%	0.776	S	S	*	*				67.5	149.3	118.7	0	0	0	0	0	122.9
180	S	33.2	Very low	32.1	Very low	110 Å²	110	147.9 Å²	147.9	77%	0.769	78%	0.784	S	S	*	*			trans	70.8	103.7	171.8	63.1	0	0	0	0	119.7
181	T	32.3	Very low	32	Very low	130 Å²	130	146.6 Å²	146.6	80%	0.798	78%	0.778	S	S	*	*			trans	17.4	121.8	136.3	46.2	0	0	0	0	118
182	E	32.6	Very low	32.3	Very low	198 Å²	198	147.6 Å²	147.6	93%	0.925	78%	0.779	S	S	*	*				-148.9	-176.3	64	-88.5	-172.5	166.8	0	0	115.2
183	R	32.4	Very low	32.6	Very low	238 Å²	238	149.3 Å²	149.3	90%	0.898	77%	0.774	S	S	*	*			trans	-109.3	153.3	-168.2	-72.7	-177.8	172.3	-177.3	-2.1	114.3
184	S	33.2	Very low	32.7	Very low	95 Å²	95	151.1 Å²	151.1	66%	0.664	77%	0.773	S	S	*	*			trans	-76.1	143.9	-175.8	56.3	0	0	0	0	114.9	I186 S187	S184-I186 VanDerWaalsContact C-N 3.25Å; S184-I186 PolarHBondContact O-N 2.88Å; S184-I186 VanDerWaalsContact O-N 3.11Å; S184-S187 PolarHBondContact O-OG 2.95Å
185	L	31.1	Very low	32.7	Very low	145 Å²	145	159.1 Å²	159.1	76%	0.759	78%	0.782	S	S	*	*	G	3₁₀ helix	trans	-72	-2.6	-166.4	-66.7	168.2	0	0	0	116.2	S187 I188	L185-S187 PolarHBondContact O-N 2.83Å; L185-I188 HydrophobicContact CD2-CD1 4.21Å
186	I	35.3	Very low	32.6	Very low	169 Å²	169	164.6 Å²	164.6	87%	0.867	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-78.6	-5.7	-174.2	-66	173.7	0	0	0	112.5	S184	S184-I186 VanDerWaalsContact C-N 3.25Å; S184-I186 PolarHBondContact O-N 2.88Å; S184-I186 VanDerWaalsContact O-N 3.11Å
187	S	34.6	Very low	32.8	Very low	87 Å²	87	162.4 Å²	162.4	61%	0.608	79%	0.785	S	S	*	*	G	3₁₀ helix	trans	-96.2	-12.4	-173.5	55	0	0	0	0	116.2	S184 L185	S184-S187 PolarHBondContact O-OG 2.95Å; L185-S187 PolarHBondContact O-N 2.83Å
188	I	35.5	Very low	32.6	Very low	101 Å²	101	161.7 Å²	161.7	52%	0.518	79%	0.79	S	S	.	*	G	3₁₀ helix	trans	-81.6	-31.2	-163.9	-66.5	173.6	0	0	0	114	L185 R190	L185-I188 HydrophobicContact CD2-CD1 4.21Å; I188-R190 PolarHBondContact O-N 3.06Å
189	W	34.1	Very low	32.8	Very low	249 Å²	249	157.6 Å²	157.6	94%	0.943	79%	0.785	S	S	*	*	G	3₁₀ helix	trans	-78.8	18.9	-168.9	-86.1	91.9	0	0	0	116.4
190	R	33.4	Very low	32.9	Very low	246 Å²	246	165.4 Å²	165.4	93%	0.928	80%	0.795	S	S	*	*	G	3₁₀ helix	trans	-125.4	6.4	-174.2	-110.9	-174.6	-174.3	-157.1	2.2	117.7	I188	I188-R190 PolarHBondContact O-N 3.06Å
191	S	31.2	Very low	32.7	Very low	87 Å²	87	171.7 Å²	171.7	61%	0.608	80%	0.802	S	S	*	*	S	Bend	trans	-126.3	-18.1	-179.2	51.2	0	0	0	0	116.7	R193	S191-R193 VanDerWaalsContact C-N 3.27Å; S191-R193 PolarHBondContact O-N 3.09Å
192	E	34.1	Very low	32.8	Very low	166 Å²	166	176.7 Å²	176.7	78%	0.776	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	41.5	-160.1	-147.4	61.5	-153.7	0	0	115.8
193	R	34.6	Very low	32.9	Very low	206 Å²	206	176.9 Å²	176.9	78%	0.777	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.2	9.3	179.4	-136.1	-177.1	-171.2	177	8.2	117.7	S191	S191-R193 VanDerWaalsContact C-N 3.27Å; S191-R193 PolarHBondContact O-N 3.09Å
194	E	30.4	Very low	32.9	Very low	170 Å²	170	176 Å²	176	79%	0.794	80%	0.795	S	S	*	*	S	Bend	trans	-120.9	150.8	168.2	-65.4	-162	146.4	0	0	111.5
195	R	30.5	Very low	32.7	Very low	237 Å²	237	183.2 Å²	183.2	89%	0.894	81%	0.808	S	S	*	*			trans	62.7	84.3	176.8	-49.9	177.1	-175.1	-170.8	0.4	116.1
196	R	31.8	Very low	32.9	Very low	224 Å²	224	184 Å²	184	85%	0.845	81%	0.812	S	S	*	*			trans	-150	130.9	136.5	-109.5	165.7	-159.3	-167.4	5.6	112.8
197	H	33.2	Very low	32.8	Very low	166 Å²	166	183.8 Å²	183.8	77%	0.769	81%	0.807	S	S	*	*			trans	55.3	85.6	165.5	-58.6	-60.4	0	0	0	120.1
198	S	29.8	Very low	33	Very low	124 Å²	124	184.8 Å²	184.8	87%	0.867	81%	0.805	S	S	*	*				-57.2	137.4	128	49.3	0	0	0	0	110.3
199	G	34.5	Very low	32.8	Very low	70 Å²	70	187.7 Å²	187.7	72%	0.722	82%	0.817	S	S	*	*			trans	-171.2	114.9	-176.8	0	0	0	0	0	116.2
200	R	33.7	Very low	32.9	Very low	256 Å²	256	184.6 Å²	184.6	97%	0.966	81%	0.813	S	S	*	*			trans	61.7	105.1	161	-66.3	-176	169.4	179.1	-2.9	119.4
201	R	28.5	Very low	32.9	Very low	241 Å²	241	180.2 Å²	180.2	91%	0.909	81%	0.807	S	S	*	*			trans	-76.6	149.5	159.1	-59.8	167	168.4	171.3	-6.8	112.1
202	R	34.1	Very low	32.9	Very low	236 Å²	236	180.5 Å²	180.5	89%	0.891	81%	0.814	S	S	*	*			trans	158.4	144.1	147.4	-91.9	161.6	-179	-165.2	0.2	108.1
203	R	35.1	Very low	32.9	Very low	202 Å²	202	177.6 Å²	177.6	76%	0.762	82%	0.819	S	S	*	*			cis	-149.1	161.6	15.4	-109.9	165.1	176.2	174.7	-2.2	110.3
204	R	33.2	Very low	32.9	Very low	220 Å²	220	173.8 Å²	173.8	83%	0.83	82%	0.824	S	S	*	*			trans	32.4	123.1	150.4	-60.9	174.5	177.3	170.1	-5	118.8
205	R	27.8	Very low	33.1	Very low	245 Å²	245	176 Å²	176	93%	0.925	83%	0.831	S	S	*	*			cis	66.1	108.1	37.2	-87.6	-161.7	179.8	-165.2	0	117.3
206	L	35.3	Very low	33.3	Very low	161 Å²	161	168.6 Å²	168.6	84%	0.843	83%	0.828	S	S	*	*			trans	171.5	148.4	147.9	-91	158.5	0	0	0	105
207	H	33.9	Very low	33.3	Very low	165 Å²	165	167 Å²	167	76%	0.764	83%	0.828	S	S	*	*			cis	-141.2	165	8.4	-168.1	-75.7	0	0	0	110.2
208	D	37.4	Very low	33.3	Very low	109 Å²	109	167 Å²	167	58%	0.583	83%	0.831	S	S	*	*			trans	-113.5	173.9	-171	-62	-100	0	0	0	110.9
209	Q	32.1	Very low	33.4	Very low	161 Å²	161	163.8 Å²	163.8	75%	0.752	82%	0.819	S	S	*	*			cis	-175.8	131.3	-26	-98.9	-178.5	71.3	0	0	105.5
210	Q	35.4	Very low	33.3	Very low	184 Å²	184	168.4 Å²	168.4	86%	0.86	83%	0.827	S	S	*	*			trans	-167	140.7	165.4	-108.4	157.1	29.9	0	0	116.2
211	L	33.7	Very low	33.1	Very low	154 Å²	154	162.5 Å²	162.5	81%	0.806	82%	0.819	S	S	*	*			trans	44.8	117.6	147.1	-56.1	166.4	0	0	0	119.2
212	A	31.5	Very low	33.5	Very low	93 Å²	93	156.8 Å²	156.8	77%	0.769	81%	0.813	S	S	*	*			cis	84.2	125	18.5	0	0	0	0	0	118.1
213	A	34.9	Very low	33.3	Very low	106 Å²	106	150 Å²	150	88%	0.876	80%	0.802	S	S	*	*			trans	74.7	101.1	159.8	0	0	0	0	0	121.6
214	S	34.1	Very low	33.3	Very low	125 Å²	125	147.1 Å²	147.1	87%	0.874	81%	0.806	S	S	*	*				-148	165.5	125.9	80.1	0	0	0	0	110.1
215	K	34.8	Very low	33.2	Very low	216 Å²	216	146.7 Å²	146.7	94%	0.939	81%	0.805	S	S	*	*			trans	-114.4	132.2	179.8	-72.2	179.8	176.9	177.9	0	110.5
216	G	33.9	Very low	33.4	Very low	82 Å²	82	140.8 Å²	140.8	85%	0.845	80%	0.801	S	S	*	*			trans	-138.5	142.8	171.5	0	0	0	0	0	110.8
217	K	33.3	Very low	33.3	Very low	191 Å²	191	140.8 Å²	140.8	83%	0.83	80%	0.797	S	S	*	*			trans	-92.5	145.8	-172.5	-94.7	-178.6	171.5	-174.6	0	112.5
218	I	31.8	Very low	33.3	Very low	165 Å²	165	138.8 Å²	138.8	85%	0.846	80%	0.796	S	S	*	*			trans	67.9	144.6	147.3	-61.4	162.1	0	0	0	116.7
219	G	31.7	Very low	33.1	Very low	58 Å²	58	140.5 Å²	140.5	60%	0.598	81%	0.806	S	S	*	*			trans	120.9	95.1	159.9	0	0	0	0	0	116.2
220	D	32.3	Very low	33.5	Very low	166 Å²	166	140.9 Å²	140.9	89%	0.888	81%	0.813	S	S	*	*			trans	58.5	161	140.2	-51	-27	0	0	0	123.2
221	T	30.7	Very low	34.1	Very low	133 Å²	133	141.2 Å²	141.2	82%	0.816	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-86.1	136.6	-174.2	41.3	0	0	0	0	112.2	S223	T221-S223 PolarHBondContact O-N 3.24Å
222	P	36.6	Very low	35.2	Very low	120 Å²	120	137.2 Å²	137.2	78%	0.779	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-76.9	127	179.5	30.1	-33.8	0	0	0	111.7
223	S	30.5	Very low	36.4	Very low	95 Å²	95	138.7 Å²	138.7	66%	0.664	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-75.7	150.6	161.1	70.5	0	0	0	0	110.4	T221	T221-S223 PolarHBondContact O-N 3.24Å
224	V	33.6	Very low	38.2	Very low	140 Å²	140	137.1 Å²	137.1	85%	0.848	78%	0.776	S	S	*	*			trans	-129.7	118.3	168.2	176.9	0	0	0	0	107.8
225	W	31.4	Very low	39.8	Very low	212 Å²	212	135.9 Å²	135.9	80%	0.803	77%	0.774	S	S	*	*			trans	-84.3	139.2	-179.3	-71.1	39.8	0	0	0	111.3
226	S	32.3	Very low	41.6	Very low	121 Å²	121	128.2 Å²	128.2	85%	0.846	75%	0.747	S	S	*	*			trans	-155.5	132.9	136	-169.3	0	0	0	0	108.4
227	Q	34.2	Very low	43.6	Very low	160 Å²	160	133 Å²	133	75%	0.748	75%	0.747	S	S	*	*			trans	-79	138	-178.4	-63.6	155.2	-47.2	0	0	110.7
228	T	33.5	Very low	45.7	Very low	123 Å²	123	132.9 Å²	132.9	76%	0.755	74%	0.742	S	S	*	*				-172.2	153.3	117	34	0	0	0	0	111.2
229	D	33.2	Very low	47.8	Very low	145 Å²	145	128.8 Å²	128.8	78%	0.775	72%	0.721	S	S	*	*			trans	58.1	82.1	155.6	-46.8	-24.8	0	0	0	119.4
230	N	40.6	Very low	49.9	Very low	170 Å²	170	132.4 Å²	132.4	91%	0.909	72%	0.717	S	S	*	*			trans	-161.9	32.5	156.9	-118.4	-10	0	0	0	114.6
231	E	47.8	Very low	52.2	Low	190 Å²	190	130 Å²	130	89%	0.888	70%	0.699	S	S	*	*			trans	-74	139.2	174.3	-69.3	-170.4	150.8	0	0	111.8
232	P	56.6	Low	54.5	Low	70 Å²	70	127.7 Å²	127.7	46%	0.455	68%	0.682	S	S	.	*			trans	-73.4	135.1	174	29.7	-33.7	0	0	0	111.7	F234 W243	P232-F234 HydrophobicContact CB-CZ 4.38Å; P232-F234 HydrophobicContact CG-CE1 4.39Å; P232-F234 HydrophobicContact CG-CE2 4.04Å; P232-F234 HydrophobicContact CG-CZ 3.68Å; P232-F234 WeakPolarHBondContact O-CD2 3.23Å; P232-F234 WeakPolarHBondContact O-CE2 3.39Å; P232-F234 PolarHBondContact O-N 3.23Å; P232-W243 HydrophobicContact CG-CH2 4.48Å; P232-W243 HydrophobicContact CG-CZ2 4.28Å
233	S	56.5	Low	56.7	Low	124 Å²	124	127.3 Å²	127.3	87%	0.867	67%	0.665	S	S	*	*			trans	-83.6	110.5	176.8	59.7	0	0	0	0	111.7
234	F	71.9	Confident	59	Low	73 Å²	73	125.8 Å²	125.8	32%	0.32	65%	0.647	S	S	.	*			trans	-82.1	145	174.9	-54.8	-77.3	0	0	0	111.9	P232 D239 R240 W243	P232-F234 HydrophobicContact CB-CZ 4.38Å; P232-F234 HydrophobicContact CG-CE1 4.39Å; P232-F234 HydrophobicContact CG-CE2 4.04Å; P232-F234 HydrophobicContact CG-CZ 3.68Å; P232-F234 WeakPolarHBondContact O-CD2 3.23Å; P232-F234 WeakPolarHBondContact O-CE2 3.39Å; P232-F234 PolarHBondContact O-N 3.23Å; F234-D239 HydrophobicContact CB-CB 4.41Å; F234-D239 HydrophobicContact CD1-CB 4.41Å; F234-R240 HydrophobicContact CB-CB 4.02Å; F234-R240 HydrophobicContact CD1-CB 4.02Å; F234-R240 HydrophobicContact CD2-CB 3.81Å; F234-R240 HydrophobicContact CD2-CG 3.83Å; F234-R240 HydrophobicContact CE1-CB 4.48Å; F234-R240 HydrophobicContact CE2-CB 4.29Å; F234-R240 HydrophobicContact CE2-CG 3.9Å; F234-R240 HydrophobicContact CG-CB 3.66Å; F234-R240 HydrophobicContact CG-CG 4.18Å; F234-R240 HydrophobicContact CZ-CG 4.31Å; F234-W243 HydrophobicContact CD1-CB 4.47Å; F234-W243 HydrophobicContact CE1-CB 3.65Å; F234-W243 AromaticContact CE1-CD2 3.77Å; F234-W243 HydrophobicContact CE1-CD2 3.77Å; F234-W243 HydrophobicContact CE1-CE3 4.04Å; F234-W243 AromaticContact CE1-CG 3.61Å; F234-W243 HydrophobicContact CE1-CG 3.61Å; F234-W243 HydrophobicContact CZ-CB 4.35Å; F234-W243 AromaticContact CZ-CD2 3.7Å; F234-W243 HydrophobicContact CZ-CD2 3.7Å; F234-W243 AromaticContact CZ-CE3 3.55Å; F234-W243 HydrophobicContact CZ-CE3 3.55Å; F234-W243 HydrophobicContact CZ-CG 4.07Å; F234-W243 HydrophobicContact CZ-CZ3 4.09Å
235	A	68.4	Low	61.2	Low	100 Å²	100	124.1 Å²	124.1	83%	0.826	63%	0.63	S	S	*	*	S	Bend	trans	-84.7	-23.6	179.6	0	0	0	0	0	113.3
236	S	73.3	Confident	63.4	Low	54 Å²	54	120.1 Å²	120.1	38%	0.378	62%	0.62	S	S	.	*	S	Bend	trans	-147.7	164.6	174.1	71.6	0	0	0	0	111.2	R238 D239 R240	S236-R238 PolarHBondContact O-N 2.84Å; S236-R238 PolarHBondContact OG-N 3.31Å; S236-D239 VanDerWaalsContact CB-OD2 3.32Å; S236-D239 WeakPolarHBondContact CB-OD2 3.42Å; S236-D239 PolarHBondContact N-OD2 2.82Å; S236-D239 PolarHBondContact O-N 3.49Å; S236-D239 PolarHBondContact OG-N 3.13Å; S236-D239 VanDerWaalsContact OG-N 3.15Å; S236-D239 PolarHBondContact OG-OD2 3.34Å; S236-R240 PolarHBondContact O-N 3.46Å
237	E	75.5	Confident	65.4	Low	182 Å²	182	118.8 Å²	118.8	85%	0.85	60%	0.601	S	S	*	*	H	α-helix	trans	-59.4	-23.5	169.4	-70	-172.2	134.4	0	0	112.4	F241	E237-F241 WeakPolarHBondContact O-CB 3.11Å; E237-F241 PolarHBondContact O-N 3.14Å
238	R	76.7	Confident	67.4	Low	190 Å²	190	118.1 Å²	118.1	72%	0.717	59%	0.591	S	S	*	*	H	α-helix	trans	-74.7	-46.4	179.1	-144.2	172.6	-163.3	148.5	5	111.4	S236 R240 F241 D242	S236-R238 PolarHBondContact O-N 2.84Å; S236-R238 PolarHBondContact OG-N 3.31Å; R238-R240 PolarHBondContact O-N 3.46Å; R238-F241 PolarHBondContact O-N 2.93Å; R238-F241 VanDerWaalsContact O-N 3.11Å; R238-D242 WeakPolarHBondContact O-CB 3.48Å; R238-D242 PolarHBondContact O-N 3.3Å
239	D	75.6	Confident	69.4	Low	78 Å²	78	120.4 Å²	120.4	42%	0.417	59%	0.586	S	S	.	*	H	α-helix	trans	-57.8	-35.6	172.6	-53.9	-72.5	0	0	0	111.4	F234 S236 W243	F234-D239 HydrophobicContact CB-CB 4.41Å; F234-D239 HydrophobicContact CD1-CB 4.41Å; S236-D239 VanDerWaalsContact CB-OD2 3.32Å; S236-D239 WeakPolarHBondContact CB-OD2 3.42Å; S236-D239 PolarHBondContact N-OD2 2.82Å; S236-D239 PolarHBondContact O-N 3.49Å; S236-D239 PolarHBondContact OG-N 3.13Å; S236-D239 VanDerWaalsContact OG-N 3.15Å; S236-D239 PolarHBondContact OG-OD2 3.34Å; D239-W243 WeakPolarHBondContact O-CB 3.32Å; D239-W243 PolarHBondContact O-N 3.1Å; D239-W243 VanDerWaalsContact O-N 3.08Å
240	R	77.4	Confident	70.8	Confident	134 Å²	134	118.2 Å²	118.2	51%	0.506	57%	0.574	S	S	.	*	H	α-helix	trans	-68.3	-47.5	174.6	-177.5	179.3	168.5	161.1	5	112.1	F234 S236 R238 W243 E244	F234-R240 HydrophobicContact CB-CB 4.02Å; F234-R240 HydrophobicContact CD1-CB 4.02Å; F234-R240 HydrophobicContact CD2-CB 3.81Å; F234-R240 HydrophobicContact CD2-CG 3.83Å; F234-R240 HydrophobicContact CE1-CB 4.48Å; F234-R240 HydrophobicContact CE2-CB 4.29Å; F234-R240 HydrophobicContact CE2-CG 3.9Å; F234-R240 HydrophobicContact CG-CB 3.66Å; F234-R240 HydrophobicContact CG-CG 4.18Å; F234-R240 HydrophobicContact CZ-CG 4.31Å; S236-R240 PolarHBondContact O-N 3.46Å; R238-R240 PolarHBondContact O-N 3.46Å; R240-W243 PolarHBondContact O-N 3.17Å; R240-E244 HydrophobicContact CG-CG 4.48Å; R240-E244 IonicContact CZ-OE1 3.39Å; R240-E244 IonicContact NE-OE1 2.71Å; R240-E244 PolarHBondContact NE-OE1 3.42Å; R240-E244 IonicContact NH2-OE1 3.16Å; R240-E244 PolarHBondContact NH2-OE1 2.8Å; R240-E244 WeakPolarHBondContact O-CB 3.42Å; R240-E244 WeakPolarHBondContact O-CG 3.49Å; R240-E244 PolarHBondContact O-N 3.06Å
241	F	80.2	Confident	72.2	Confident	115 Å²	115	114.3 Å²	114.3	50%	0.504	55%	0.553	S	S	.	*	H	α-helix	trans	-63.2	-46.8	179.6	-172.9	-83.8	0	0	0	111.3	E237 R238 W243 E244 E245	E237-F241 WeakPolarHBondContact O-CB 3.11Å; E237-F241 PolarHBondContact O-N 3.14Å; R238-F241 PolarHBondContact O-N 2.93Å; R238-F241 VanDerWaalsContact O-N 3.11Å; F241-W243 VanDerWaalsContact C-N 3.3Å; F241-W243 PolarHBondContact O-N 3.4Å; F241-E244 PolarHBondContact O-N 3.03Å; F241-E245 WeakPolarHBondContact O-CB 3.42Å; F241-E245 PolarHBondContact O-N 2.88Å
242	D	78.2	Confident	73.1	Confident	86 Å²	86	112.8 Å²	112.8	46%	0.46	54%	0.539	S	S	.	.	H	α-helix	trans	-61.8	-38.9	178.7	-62.4	-11.3	0	0	0	110.5	R238 E246	R238-D242 WeakPolarHBondContact O-CB 3.48Å; R238-D242 PolarHBondContact O-N 3.3Å; D242-E246 VanDerWaalsContact O-CB 3.29Å; D242-E246 WeakPolarHBondContact O-CB 3.17Å; D242-E246 PolarHBondContact O-N 3.25Å
243	W	83.4	Confident	73.7	Confident	112 Å²	112	113.3 Å²	113.3	42%	0.424	54%	0.538	S	S	.	.	H	α-helix	trans	-69.5	-41.8	173.8	-177.3	89.1	0	0	0	113.6	P232 F234 D239 R240 F241 E245 E246 Q247	P232-W243 HydrophobicContact CG-CH2 4.48Å; P232-W243 HydrophobicContact CG-CZ2 4.28Å; F234-W243 HydrophobicContact CD1-CB 4.47Å; F234-W243 HydrophobicContact CE1-CB 3.65Å; F234-W243 AromaticContact CE1-CD2 3.77Å; F234-W243 HydrophobicContact CE1-CD2 3.77Å; F234-W243 HydrophobicContact CE1-CE3 4.04Å; F234-W243 AromaticContact CE1-CG 3.61Å; F234-W243 HydrophobicContact CE1-CG 3.61Å; F234-W243 HydrophobicContact CZ-CB 4.35Å; F234-W243 AromaticContact CZ-CD2 3.7Å; F234-W243 HydrophobicContact CZ-CD2 3.7Å; F234-W243 AromaticContact CZ-CE3 3.55Å; F234-W243 HydrophobicContact CZ-CE3 3.55Å; F234-W243 HydrophobicContact CZ-CG 4.07Å; F234-W243 HydrophobicContact CZ-CZ3 4.09Å; D239-W243 WeakPolarHBondContact O-CB 3.32Å; D239-W243 PolarHBondContact O-N 3.1Å; D239-W243 VanDerWaalsContact O-N 3.08Å; R240-W243 PolarHBondContact O-N 3.17Å; F241-W243 VanDerWaalsContact C-N 3.3Å; F241-W243 PolarHBondContact O-N 3.4Å; W243-E245 VanDerWaalsContact C-N 3.31Å; W243-E245 PolarHBondContact O-N 3.01Å; W243-E246 PolarHBondContact O-N 2.93Å; W243-Q247 HydrophobicContact CD2-CG 4.01Å; W243-Q247 HydrophobicContact CE3-CG 4.2Å; W243-Q247 HydrophobicContact CH2-CG 4.03Å; W243-Q247 HydrophobicContact CZ2-CG 3.82Å; W243-Q247 HydrophobicContact CZ3-CG 4.21Å; W243-Q247 WeakPolarHBondContact O-CB 3.4Å; W243-Q247 WeakPolarHBondContact O-CG 3.44Å; W243-Q247 PolarHBondContact O-N 3.13Å
244	E	79.5	Confident	73.7	Confident	63 Å²	63	116.3 Å²	116.3	29%	0.294	53%	0.53	S	S	.	.	H	α-helix	trans	-65.9	-33.9	175.4	-76.9	-174.8	-164.2	0	0	111.9	R240 F241 R248	R240-E244 HydrophobicContact CG-CG 4.48Å; R240-E244 IonicContact CZ-OE1 3.39Å; R240-E244 IonicContact NE-OE1 2.71Å; R240-E244 PolarHBondContact NE-OE1 3.42Å; R240-E244 IonicContact NH2-OE1 3.16Å; R240-E244 PolarHBondContact NH2-OE1 2.8Å; R240-E244 WeakPolarHBondContact O-CB 3.42Å; R240-E244 WeakPolarHBondContact O-CG 3.49Å; R240-E244 PolarHBondContact O-N 3.06Å; F241-E244 PolarHBondContact O-N 3.03Å; E244-R248 VanDerWaalsContact O-CB 3.3Å; E244-R248 WeakPolarHBondContact O-CB 3.48Å; E244-R248 PolarHBondContact O-N 3.14Å
245	E	79.8	Confident	73.2	Confident	104 Å²	104	119.8 Å²	119.8	49%	0.486	54%	0.542	S	S	.	.	H	α-helix	trans	-74.6	-41.3	174.4	-174.5	158.6	-113.3	0	0	112.2	F241 W243 R248 R249	F241-E245 WeakPolarHBondContact O-CB 3.42Å; F241-E245 PolarHBondContact O-N 2.88Å; W243-E245 VanDerWaalsContact C-N 3.31Å; W243-E245 PolarHBondContact O-N 3.01Å; E245-R248 PolarHBondContact O-N 2.63Å; E245-R249 WeakPolarHBondContact O-CB 3.3Å; E245-R249 PolarHBondContact O-N 3.33Å
246	E	76.5	Confident	72.6	Confident	128 Å²	128	120.5 Å²	120.5	60%	0.598	53%	0.529	S	S	*	.	H	α-helix	trans	-68.8	-35.8	176.1	-170.1	161.8	-120.9	0	0	112.2	D242 W243 R249 L250	D242-E246 VanDerWaalsContact O-CB 3.29Å; D242-E246 WeakPolarHBondContact O-CB 3.17Å; D242-E246 PolarHBondContact O-N 3.25Å; W243-E246 PolarHBondContact O-N 2.93Å; E246-R249 PolarHBondContact O-N 2.88Å; E246-L250 HydrophobicContact CG-CD1 4.36Å; E246-L250 WeakPolarHBondContact O-CB 3.43Å; E246-L250 WeakPolarHBondContact O-CG 3.47Å; E246-L250 PolarHBondContact O-N 3.02Å
247	Q	75	Confident	71.6	Confident	93 Å²	93	125.4 Å²	125.4	44%	0.435	55%	0.548	S	S	.	.	H	α-helix	trans	-60.4	-50.5	167.2	-78.5	-65.6	-82.8	0	0	111.5	W243 R249 L250 D251	W243-Q247 HydrophobicContact CD2-CG 4.01Å; W243-Q247 HydrophobicContact CE3-CG 4.2Å; W243-Q247 HydrophobicContact CH2-CG 4.03Å; W243-Q247 HydrophobicContact CZ2-CG 3.82Å; W243-Q247 HydrophobicContact CZ3-CG 4.21Å; W243-Q247 WeakPolarHBondContact O-CB 3.4Å; W243-Q247 WeakPolarHBondContact O-CG 3.44Å; W243-Q247 PolarHBondContact O-N 3.13Å; Q247-R249 PolarHBondContact O-N 3.28Å; Q247-L250 PolarHBondContact O-N 3.19Å; Q247-D251 WeakPolarHBondContact O-CB 3.35Å; Q247-D251 PolarHBondContact O-N 3.35Å
248	R	75.1	Confident	70.3	Confident	147 Å²	147	124.1 Å²	124.1	56%	0.555	55%	0.546	S	S	*	.	H	α-helix	trans	-61.5	-31.4	179.2	-165.1	-175.6	-57	130.5	7	112.5	E244 E245 R252	E244-R248 VanDerWaalsContact O-CB 3.3Å; E244-R248 WeakPolarHBondContact O-CB 3.48Å; E244-R248 PolarHBondContact O-N 3.14Å; E245-R248 PolarHBondContact O-N 2.63Å; R248-R252 VanDerWaalsContact O-CB 3.29Å; R248-R252 WeakPolarHBondContact O-CB 3.41Å; R248-R252 PolarHBondContact O-N 3.27Å; R248-R252 VanDerWaalsContact O-N 3.1Å
249	R	75.8	Confident	68.7	Low	171 Å²	171	123.6 Å²	123.6	65%	0.645	55%	0.552	S	S	*	*	H	α-helix	trans	-74.1	-42.3	174.6	-171	-179.7	-174.4	-172.5	2.8	112.5	E245 E246 Q247 N253	E245-R249 WeakPolarHBondContact O-CB 3.3Å; E245-R249 PolarHBondContact O-N 3.33Å; E246-R249 PolarHBondContact O-N 2.88Å; Q247-R249 PolarHBondContact O-N 3.28Å; R249-N253 WeakPolarHBondContact O-CB 3.38Å; R249-N253 PolarHBondContact O-N 2.88Å; R249-N253 PolarHBondContact O-OD1 2.9Å
250	L	62.2	Low	66.8	Low	99 Å²	99	127.6 Å²	127.6	52%	0.518	57%	0.573	S	S	.	*	H	α-helix	trans	-63.7	-45.1	175	-78.8	165.9	0	0	0	111.4	E246 Q247 N253 W254	E246-L250 HydrophobicContact CG-CD1 4.36Å; E246-L250 WeakPolarHBondContact O-CB 3.43Å; E246-L250 WeakPolarHBondContact O-CG 3.47Å; E246-L250 PolarHBondContact O-N 3.02Å; Q247-L250 PolarHBondContact O-N 3.19Å; L250-N253 PolarHBondContact O-N 3.47Å; L250-W254 WeakPolarHBondContact O-CB 3.37Å; L250-W254 PolarHBondContact O-N 3.22Å
251	D	70.1	Confident	64.8	Low	87 Å²	87	129.3 Å²	129.3	47%	0.465	59%	0.586	S	S	.	*	H	α-helix	trans	-61.4	-47.8	177.8	-161.5	52.5	0	0	0	110.8	Q247 N253 W254 Y255	Q247-D251 WeakPolarHBondContact O-CB 3.35Å; Q247-D251 PolarHBondContact O-N 3.35Å; D251-N253 PolarHBondContact O-N 2.87Å; D251-W254 WeakPolarHBondContact O-CB 3.17Å; D251-W254 PolarHBondContact O-N 3.37Å; D251-W254 VanDerWaalsContact O-N 3.09Å; D251-Y255 WeakPolarHBondContact O-CD2 3.39Å; D251-Y255 PolarHBondContact O-N 3.15Å; D251-Y255 VanDerWaalsContact O-N 3.12Å
252	R	68.3	Low	62.5	Low	158 Å²	158	131.5 Å²	131.5	60%	0.596	60%	0.598	S	S	*	*	H	α-helix	trans	-59.2	-47.3	173.6	-178.4	174.8	177.6	162.1	6.2	112.8	R248 W254 Y255 E256	R248-R252 VanDerWaalsContact O-CB 3.29Å; R248-R252 WeakPolarHBondContact O-CB 3.41Å; R248-R252 PolarHBondContact O-N 3.27Å; R248-R252 VanDerWaalsContact O-N 3.1Å; R252-W254 PolarHBondContact O-N 3.31Å; R252-Y255 PolarHBondContact O-N 2.97Å; R252-E256 HydrophobicContact CG-CG 4.3Å; R252-E256 IonicContact CZ-OE1 2.72Å; R252-E256 IonicContact NE-OE1 2.68Å; R252-E256 PolarHBondContact NE-OE1 3.49Å; R252-E256 IonicContact NE-OE2 2.62Å; R252-E256 PolarHBondContact NE-OE2 3.45Å; R252-E256 IonicContact NH2-OE1 3.98Å; R252-E256 PolarHBondContact NH2-OE1 3.19Å; R252-E256 WeakPolarHBondContact O-CB 3.48Å; R252-E256 WeakPolarHBondContact O-CG 3.26Å; R252-E256 PolarHBondContact O-N 2.85Å
253	N	67.9	Low	60.3	Low	82 Å²	82	133.8 Å²	133.8	44%	0.439	62%	0.619	S	S	.	*	H	α-helix	trans	-62.1	-27.8	176.3	-76.4	13	0	0	0	112.2	R249 L250 D251 M257	R249-N253 WeakPolarHBondContact O-CB 3.38Å; R249-N253 PolarHBondContact O-N 2.88Å; R249-N253 PolarHBondContact O-OD1 2.9Å; L250-N253 PolarHBondContact O-N 3.47Å; D251-N253 PolarHBondContact O-N 2.87Å; N253-M257 WeakPolarHBondContact O-CB 3.27Å; N253-M257 WeakPolarHBondContact O-CG 3.46Å; N253-M257 PolarHBondContact O-N 3.14Å
254	W	56.1	Low	57.9	Low	186 Å²	186	138.2 Å²	138.2	71%	0.705	64%	0.642	S	S	*	*	H	α-helix	trans	-73.7	-41.8	178.6	-161.5	62.2	0	0	0	111.4	L250 D251 R252	L250-W254 WeakPolarHBondContact O-CB 3.37Å; L250-W254 PolarHBondContact O-N 3.22Å; D251-W254 WeakPolarHBondContact O-CB 3.17Å; D251-W254 PolarHBondContact O-N 3.37Å; D251-W254 VanDerWaalsContact O-N 3.09Å; R252-W254 PolarHBondContact O-N 3.31Å
255	Y	61.8	Low	56	Low	146 Å²	146	141.8 Å²	141.8	57%	0.573	66%	0.663	S	S	*	*	H	α-helix	trans	-72	-38.9	173.7	-68.2	-66.6	0	0	0	113.5	D251 R252 M257 D258	D251-Y255 WeakPolarHBondContact O-CD2 3.39Å; D251-Y255 PolarHBondContact O-N 3.15Å; D251-Y255 VanDerWaalsContact O-N 3.12Å; R252-Y255 PolarHBondContact O-N 2.97Å; Y255-M257 PolarHBondContact O-N 3.44Å; Y255-D258 PolarHBondContact O-N 3.39Å
256	E	57	Low	54.2	Low	115 Å²	115	143.6 Å²	143.6	54%	0.537	68%	0.676	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70	-10.9	179.1	-73.1	-179	166.5	0	0	113.8	R252	R252-E256 HydrophobicContact CG-CG 4.3Å; R252-E256 IonicContact CZ-OE1 2.72Å; R252-E256 IonicContact NE-OE1 2.68Å; R252-E256 PolarHBondContact NE-OE1 3.49Å; R252-E256 IonicContact NE-OE2 2.62Å; R252-E256 PolarHBondContact NE-OE2 3.45Å; R252-E256 IonicContact NH2-OE1 3.98Å; R252-E256 PolarHBondContact NH2-OE1 3.19Å; R252-E256 WeakPolarHBondContact O-CB 3.48Å; R252-E256 WeakPolarHBondContact O-CG 3.26Å; R252-E256 PolarHBondContact O-N 2.85Å
257	M	51.3	Low	52.9	Low	157 Å²	157	144.5 Å²	144.5	77%	0.773	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-14.4	177.4	-79.9	-74.5	-69.1	0	0	114.8	N253 Y255	N253-M257 WeakPolarHBondContact O-CB 3.27Å; N253-M257 WeakPolarHBondContact O-CG 3.46Å; N253-M257 PolarHBondContact O-N 3.14Å; Y255-M257 PolarHBondContact O-N 3.44Å
258	D	48.4	Very low	51.9	Low	155 Å²	155	148 Å²	148	83%	0.829	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	-12.1	-168.6	-138	35.2	0	0	0	113.8	Y255	Y255-D258 PolarHBondContact O-N 3.39Å
259	E	44	Very low	50.5	Low	180 Å²	180	145.5 Å²	145.5	84%	0.841	70%	0.699	S	S	*	*	S	Bend	trans	-95.6	-15.7	-175.9	-72.4	-158.1	137.1	0	0	116
260	L	35.2	Very low	49.5	Very low	162 Å²	162	142.4 Å²	142.4	85%	0.848	70%	0.701	S	S	*	*			trans	-134.1	103.3	-176.9	-75	174.8	0	0	0	113.6
261	Q	34.2	Very low	48.9	Very low	169 Å²	169	144.4 Å²	144.4	79%	0.79	71%	0.706	S	S	*	*			trans	-83	147	170.9	178.9	177.3	-31.3	0	0	111.2
262	E	32.6	Very low	48	Very low	161 Å²	161	144.7 Å²	144.7	75%	0.752	72%	0.72	S	S	*	*			trans	67.5	97	175.2	-75	160	-135.2	0	0	117.5
263	C	32.4	Very low	47.3	Very low	134 Å²	134	142.6 Å²	142.6	91%	0.905	73%	0.73	S	S	*	*				-172.7	142.8	115.2	-108	0	0	0	0	112.3
264	F	32.6	Very low	46.6	Very low	205 Å²	205	142.3 Å²	142.3	90%	0.899	73%	0.727	S	S	*	*			trans	-87.5	139.4	162.8	-81.7	-111.3	0	0	0	108.8
265	D	39	Very low	46.8	Very low	138 Å²	138	136.9 Å²	136.9	74%	0.738	72%	0.718	S	S	*	*			trans	-149.7	112.9	165	-129.5	-8.3	0	0	0	109.1	D267	D265-D267 PolarHBondContact O-N 3.15Å
266	D	42.4	Very low	46.9	Very low	142 Å²	142	138 Å²	138	76%	0.759	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-76.2	-21.3	-168.8	-101.4	-45	0	0	0	113.6	H268	D266-H268 PolarHBondContact O-N 3.18Å; D266-H268 VanDerWaalsContact O-N 3.11Å
267	D	49.6	Very low	47.4	Very low	148 Å²	148	139.7 Å²	139.7	79%	0.791	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-71.5	-8.5	-165.6	-77.8	-24.3	0	0	0	115.5	D265	D265-D267 PolarHBondContact O-N 3.15Å
268	H	53.7	Low	48.4	Very low	167 Å²	167	138.6 Å²	138.6	77%	0.773	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-112.2	11	-172	-75	84.9	0	0	0	115.4	D266 P270	D266-H268 PolarHBondContact O-N 3.18Å; D266-H268 VanDerWaalsContact O-N 3.11Å; H268-P270 VanDerWaalsContact O-CD 3.25Å; H268-P270 WeakPolarHBondContact O-CD 3.29Å
269	N	46.8	Very low	49.3	Very low	93 Å²	93	134 Å²	134	50%	0.497	70%	0.702	S	S	.	*			trans	-78.4	110.2	-178.8	-173	-14.4	0	0	0	112.8	F271 A272	N269-F271 PolarHBondContact O-N 2.86Å; N269-F271 VanDerWaalsContact O-N 3.1Å; N269-F271 PolarHBondContact OD1-N 3.41Å; N269-F271 VanDerWaalsContact OD1-N 3.16Å; N269-A272 PolarHBondContact O-N 3.39Å
270	P	53.4	Low	50.8	Low	106 Å²	106	132.3 Å²	132.3	69%	0.688	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-0.2	-173.3	33.4	-36.8	0	0	0	114.2	H268	H268-P270 VanDerWaalsContact O-CD 3.25Å; H268-P270 WeakPolarHBondContact O-CD 3.29Å
271	F	49.3	Very low	52.6	Low	142 Å²	142	129.6 Å²	129.6	62%	0.623	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	2.8	-178.8	-61.1	-73.5	0	0	0	114.3	N269 S273 I274	N269-F271 PolarHBondContact O-N 2.86Å; N269-F271 VanDerWaalsContact O-N 3.1Å; N269-F271 PolarHBondContact OD1-N 3.41Å; N269-F271 VanDerWaalsContact OD1-N 3.16Å; F271-S273 PolarHBondContact O-N 2.84Å; F271-I274 HydrophobicContact CD1-CD1 4.17Å; F271-I274 PolarHBondContact O-N 2.75Å; F271-I274 VanDerWaalsContact O-N 3.16Å
272	A	51.7	Low	54.3	Low	92 Å²	92	128.8 Å²	128.8	76%	0.76	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	-11.3	-175.2	0	0	0	0	0	115.9	N269	N269-A272 PolarHBondContact O-N 3.39Å
273	S	54.3	Low	56	Low	115 Å²	115	126.7 Å²	126.7	80%	0.804	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-2.7	179.4	57.3	0	0	0	0	114.9	F271	F271-S273 PolarHBondContact O-N 2.84Å
274	I	52.4	Low	58	Low	76 Å²	76	125.9 Å²	125.9	39%	0.39	64%	0.638	S	S	.	*	S	Bend	trans	-87.4	125.9	177.7	-57.5	177.6	0	0	0	109.6	F271 Y278 T279	F271-I274 HydrophobicContact CD1-CD1 4.17Å; F271-I274 PolarHBondContact O-N 2.75Å; F271-I274 VanDerWaalsContact O-N 3.16Å; I274-Y278 HydrophobicContact CG2-CD1 3.74Å; I274-Y278 HydrophobicContact CG2-CG 4.42Å; I274-T279 HydrophobicContact CG2-CG2 3.99Å
275	S	61.5	Low	59.8	Low	72 Å²	72	123.6 Å²	123.6	50%	0.503	62%	0.623	S	S	.	*			trans	-66.8	139.6	-179.3	63.8	0	0	0	0	112.3	E277 Y278 T279	S275-E277 PolarHBondContact O-N 2.74Å; S275-E277 VanDerWaalsContact O-N 3.13Å; S275-Y278 WeakPolarHBondContact O-CB 3.25Å; S275-Y278 PolarHBondContact O-N 3.28Å; S275-T279 PolarHBondContact O-N 2.8Å
276	Q	63.9	Low	60.7	Low	170 Å²	170	120.2 Å²	120.2	79%	0.794	61%	0.605	S	S	*	*	H	α-helix	trans	-59.4	-27	-178	-70.1	-173.5	-7	0	0	113.6	T279 K280	Q276-T279 WeakPolarHBondContact CA-OG1 3.18Å; Q276-T279 PolarHBondContact O-OG1 2.81Å; Q276-K280 WeakPolarHBondContact O-CB 3.29Å; Q276-K280 PolarHBondContact O-N 2.87Å
277	E	67.3	Low	61.5	Low	150 Å²	150	119.8 Å²	119.8	70%	0.701	60%	0.598	S	S	*	*	H	α-helix	trans	-67.6	-38.1	172.8	-68.1	-170.9	120	0	0	112.5	S275 K280 Q281	S275-E277 PolarHBondContact O-N 2.74Å; S275-E277 VanDerWaalsContact O-N 3.13Å; E277-K280 PolarHBondContact O-N 3.43Å; E277-Q281 WeakPolarHBondContact O-CB 3.28Å; E277-Q281 WeakPolarHBondContact O-CG 3.34Å; E277-Q281 PolarHBondContact O-N 3.36Å
278	Y	72.8	Confident	62	Low	133 Å²	133	119 Å²	119	52%	0.522	59%	0.59	S	S	.	*	H	α-helix	trans	-68.3	-42	179.5	-178	-92.3	0	0	0	111.2	I274 S275 R282	I274-Y278 HydrophobicContact CG2-CD1 3.74Å; I274-Y278 HydrophobicContact CG2-CG 4.42Å; S275-Y278 WeakPolarHBondContact O-CB 3.25Å; S275-Y278 PolarHBondContact O-N 3.28Å; Y278-R282 WeakPolarHBondContact O-CB 3.32Å; Y278-R282 PolarHBondContact O-N 3.47Å
279	T	66.6	Low	61.9	Low	60 Å²	60	118.6 Å²	118.6	37%	0.368	59%	0.588	S	S	.	*	H	α-helix	trans	-61.8	-47.9	171.9	43.4	0	0	0	0	111.2	I274 S275 Q276 Q281 R282 E283	I274-T279 HydrophobicContact CG2-CG2 3.99Å; S275-T279 PolarHBondContact O-N 2.8Å; Q276-T279 WeakPolarHBondContact CA-OG1 3.18Å; Q276-T279 PolarHBondContact O-OG1 2.81Å; T279-Q281 PolarHBondContact O-N 2.64Å; T279-R282 PolarHBondContact O-N 2.95Å; T279-R282 VanDerWaalsContact O-N 3.14Å; T279-E283 WeakPolarHBondContact O-CB 3.39Å; T279-E283 WeakPolarHBondContact O-CG 3.44Å; T279-E283 PolarHBondContact O-N 2.88Å
280	K	74.5	Confident	61.8	Low	143 Å²	143	120.9 Å²	120.9	62%	0.622	59%	0.594	S	S	*	*	H	α-helix	trans	-60.4	-44.3	178.6	-110.7	176.5	177.5	171.7	0	113.6	Q276 E277 R282 E283 Q284	Q276-K280 WeakPolarHBondContact O-CB 3.29Å; Q276-K280 PolarHBondContact O-N 2.87Å; E277-K280 PolarHBondContact O-N 3.43Å; K280-R282 VanDerWaalsContact C-N 3.33Å; K280-R282 PolarHBondContact O-N 3.41Å; K280-E283 PolarHBondContact O-N 3.13Å; K280-Q284 WeakPolarHBondContact O-CB 3.24Å; K280-Q284 WeakPolarHBondContact O-CG 3.38Å; K280-Q284 PolarHBondContact O-N 2.94Å
281	Q	73.6	Confident	61.3	Low	105 Å²	105	123.6 Å²	123.6	49%	0.491	60%	0.595	S	S	.	*	H	α-helix	trans	-65.9	-36.4	175.6	-73.3	-172.4	24.7	0	0	112.1	E277 T279 R285	E277-Q281 WeakPolarHBondContact O-CB 3.28Å; E277-Q281 WeakPolarHBondContact O-CG 3.34Å; E277-Q281 PolarHBondContact O-N 3.36Å; T279-Q281 PolarHBondContact O-N 2.64Å; Q281-R285 WeakPolarHBondContact O-CB 3.32Å; Q281-R285 WeakPolarHBondContact O-CG 3.46Å; Q281-R285 PolarHBondContact O-N 2.98Å
282	R	69.9	Low	61	Low	152 Å²	152	124.8 Å²	124.8	57%	0.574	60%	0.6	S	S	*	*	H	α-helix	trans	-69.2	-39.1	176.9	-175.8	175.7	175.5	-170.1	-2.5	111.6	Y278 T279 K280 L286	Y278-R282 WeakPolarHBondContact O-CB 3.32Å; Y278-R282 PolarHBondContact O-N 3.47Å; T279-R282 PolarHBondContact O-N 2.95Å; T279-R282 VanDerWaalsContact O-N 3.14Å; K280-R282 VanDerWaalsContact C-N 3.33Å; K280-R282 PolarHBondContact O-N 3.41Å; R282-L286 HydrophobicContact CG-CD1 4.4Å; R282-L286 WeakPolarHBondContact O-CB 3.33Å; R282-L286 PolarHBondContact O-N 3.42Å
283	E	69.1	Low	60.8	Low	118 Å²	118	128.1 Å²	128.1	55%	0.551	59%	0.593	S	S	*	*	H	α-helix	trans	-65.7	-49.1	173.9	-74.8	-177	127.5	0	0	111.5	T279 K280 R285 L286 E287	T279-E283 WeakPolarHBondContact O-CB 3.39Å; T279-E283 WeakPolarHBondContact O-CG 3.44Å; T279-E283 PolarHBondContact O-N 2.88Å; K280-E283 PolarHBondContact O-N 3.13Å; E283-R285 VanDerWaalsContact C-N 3.34Å; E283-R285 PolarHBondContact O-N 3.41Å; E283-L286 CarbonylContact O-C 3.55Å; E283-L286 WeakPolarHBondContact O-CA 3.46Å; E283-L286 WeakPolarHBondContact O-CB 3.42Å; E283-L286 PolarHBondContact O-N 3.41Å; E283-E287 WeakPolarHBondContact O-CG 3.16Å; E283-E287 PolarHBondContact O-N 2.87Å
284	Q	73.1	Confident	60.5	Low	117 Å²	117	125.8 Å²	125.8	55%	0.547	57%	0.571	S	S	.	*	H	α-helix	trans	-57.2	-45.2	176.6	-75.3	177.9	-22.2	0	0	112.1	K280 L286 E287 E288	K280-Q284 WeakPolarHBondContact O-CB 3.24Å; K280-Q284 WeakPolarHBondContact O-CG 3.38Å; K280-Q284 PolarHBondContact O-N 2.94Å; Q284-L286 VanDerWaalsContact C-N 3.3Å; Q284-L286 PolarHBondContact O-N 2.83Å; Q284-E287 PolarHBondContact O-N 3.21Å; Q284-E288 WeakPolarHBondContact O-CG 3.26Å; Q284-E288 PolarHBondContact O-N 2.8Å
285	R	70.9	Confident	60.4	Low	157 Å²	157	125.2 Å²	125.2	59%	0.592	57%	0.571	S	S	*	*	H	α-helix	trans	-62.5	-35.5	172.9	-74.7	178	178.5	173.7	3.5	112.8	Q281 E283 Q289	Q281-R285 WeakPolarHBondContact O-CB 3.32Å; Q281-R285 WeakPolarHBondContact O-CG 3.46Å; Q281-R285 PolarHBondContact O-N 2.98Å; E283-R285 VanDerWaalsContact C-N 3.34Å; E283-R285 PolarHBondContact O-N 3.41Å; R285-Q289 WeakPolarHBondContact O-CB 3.49Å; R285-Q289 VanDerWaalsContact O-CG 3.26Å; R285-Q289 WeakPolarHBondContact O-CG 3.23Å; R285-Q289 PolarHBondContact O-N 2.85Å
286	L	57.6	Low	60.3	Low	67 Å²	67	124.4 Å²	124.4	35%	0.351	57%	0.569	S	S	.	*	H	α-helix	trans	-70.7	-33.7	174.5	-100.3	160.9	0	0	0	112.3	R282 E283 Q284 K290	R282-L286 HydrophobicContact CG-CD1 4.4Å; R282-L286 WeakPolarHBondContact O-CB 3.33Å; R282-L286 PolarHBondContact O-N 3.42Å; E283-L286 CarbonylContact O-C 3.55Å; E283-L286 WeakPolarHBondContact O-CA 3.46Å; E283-L286 WeakPolarHBondContact O-CB 3.42Å; E283-L286 PolarHBondContact O-N 3.41Å; Q284-L286 VanDerWaalsContact C-N 3.3Å; Q284-L286 PolarHBondContact O-N 2.83Å; L286-K290 WeakPolarHBondContact O-CA 3.32Å; L286-K290 WeakPolarHBondContact O-CB 3.41Å; L286-K290 WeakPolarHBondContact O-CD 3.44Å; L286-K290 WeakPolarHBondContact O-CG 3.45Å; L286-K290 PolarHBondContact O-N 2.84Å
287	E	60.1	Low	59.9	Low	133 Å²	133	121 Å²	121	62%	0.621	55%	0.549	S	S	*	.	H	α-helix	trans	-71	-42.9	174.1	-70.8	-169.2	128.8	0	0	111.7	E283 Q284 Q289 K290 K291	E283-E287 WeakPolarHBondContact O-CG 3.16Å; E283-E287 PolarHBondContact O-N 2.87Å; Q284-E287 PolarHBondContact O-N 3.21Å; E287-Q289 VanDerWaalsContact C-N 3.31Å; E287-Q289 PolarHBondContact O-N 3.08Å; E287-K290 CarbonylContact O-C 3.42Å; E287-K290 PolarHBondContact O-N 3.28Å; E287-K290 VanDerWaalsContact O-N 3.15Å; E287-K291 PolarHBondContact O-N 2.9Å
288	E	59.3	Low	59.9	Low	131 Å²	131	118.6 Å²	118.6	61%	0.612	54%	0.537	S	S	*	.	H	α-helix	trans	-57	-44.1	171.8	-72.7	-179.6	147.4	0	0	111.6	Q284	Q284-E288 WeakPolarHBondContact O-CG 3.26Å; Q284-E288 PolarHBondContact O-N 2.8Å
289	Q	51.5	Low	59.7	Low	158 Å²	158	117.7 Å²	117.7	74%	0.738	54%	0.538	S	S	*	.	H	α-helix	trans	-76.1	-26.1	175.3	-68.1	176.8	16.5	0	0	113.5	R285 E287 K291	R285-Q289 WeakPolarHBondContact O-CB 3.49Å; R285-Q289 VanDerWaalsContact O-CG 3.26Å; R285-Q289 WeakPolarHBondContact O-CG 3.23Å; R285-Q289 PolarHBondContact O-N 2.85Å; E287-Q289 VanDerWaalsContact C-N 3.31Å; E287-Q289 PolarHBondContact O-N 3.08Å; Q289-K291 PolarHBondContact O-N 2.83Å
290	K	44.8	Very low	60	Low	142 Å²	142	119.4 Å²	119.4	62%	0.617	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	5.4	174.6	-80.2	170.8	175.7	176.4	0	113.5	L286 E287 K292	L286-K290 WeakPolarHBondContact O-CA 3.32Å; L286-K290 WeakPolarHBondContact O-CB 3.41Å; L286-K290 WeakPolarHBondContact O-CD 3.44Å; L286-K290 WeakPolarHBondContact O-CG 3.45Å; L286-K290 PolarHBondContact O-N 2.84Å; E287-K290 CarbonylContact O-C 3.42Å; E287-K290 PolarHBondContact O-N 3.28Å; E287-K290 VanDerWaalsContact O-N 3.15Å; K290-K292 PolarHBondContact O-N 2.8Å
291	K	43.4	Very low	59.9	Low	163 Å²	163	116.4 Å²	116.4	71%	0.709	53%	0.531	S	S	*	.			trans	-66.7	56	161.9	-70.4	176.3	-179.6	170.8	0	111.7	E287 Q289 R293	E287-K291 PolarHBondContact O-N 2.9Å; Q289-K291 PolarHBondContact O-N 2.83Å; K291-R293 PolarHBondContact O-N 3.19Å
292	K	42.6	Very low	60	Low	167 Å²	167	116.3 Å²	116.3	73%	0.726	53%	0.53	S	S	*	.			trans	-54.3	132	164.8	-70.6	-174.5	175.9	-177.8	0	107.3	K290 L294	K290-K292 PolarHBondContact O-N 2.8Å; K292-L294 PolarHBondContact O-N 2.94Å
293	R	47.5	Very low	60.3	Low	162 Å²	162	114.5 Å²	114.5	61%	0.611	53%	0.526	S	S	*	.			trans	-74.7	62.1	-165.3	-60.2	173.2	108.1	155	8.2	112.9	K291 T295 T993 D994	K291-R293 PolarHBondContact O-N 3.19Å; R293-T295 PolarHBondContact O-N 3.26Å; R293-T993 PolarHBondContact NE-OG1 3.08Å; R293-T993 PolarHBondContact NH1-OG1 3.23Å; R293-T993 PolarHBondContact NH2-OG1 2.84Å; R293-D994 IonicContact CZ-OD1 2.61Å; R293-D994 IonicContact NE-OD1 3.17Å; R293-D994 PolarHBondContact NE-OD1 3.04Å; R293-D994 IonicContact NH2-OD1 2.81Å; R293-D994 PolarHBondContact NH2-OD1 3.38Å; R293-D994 IonicContact NH2-OD2 3.9Å; R293-D994 PolarHBondContact NH2-OD2 2.98Å; R293-D994 VanDerWaalsContact NH2-OD2 3.07Å
294	L	47.2	Very low	60.6	Low	65 Å²	65	112.2 Å²	112.2	34%	0.34	52%	0.517	S	S	.	.			trans	-68.9	120.2	164.9	-72.6	126.6	0	0	0	108.1	K292 Q298 Q299	K292-L294 PolarHBondContact O-N 2.94Å; L294-Q298 HydrophobicContact CB-CB 4.29Å; L294-Q298 HydrophobicContact CD2-CB 4.18Å; L294-Q298 HydrophobicContact CD2-CG 3.9Å; L294-Q299 HydrophobicContact CB-CG 3.81Å; L294-Q299 PolarHBondContact O-NE2 3.02Å
295	T	51.6	Low	60.8	Low	64 Å²	64	111 Å²	111	39%	0.393	52%	0.515	S	S	.	.			trans	-54.9	152.5	173.9	-29.6	0	0	0	0	109.9	R293 R297 Q298 Q299	R293-T295 PolarHBondContact O-N 3.26Å; T295-R297 PolarHBondContact O-N 3.2Å; T295-R297 VanDerWaalsContact O-N 3.12Å; T295-Q298 CarbonylContact O-C 3.58Å; T295-Q298 WeakPolarHBondContact O-CA 3.29Å; T295-Q298 VanDerWaalsContact O-CB 3.31Å; T295-Q298 WeakPolarHBondContact O-CB 3.47Å; T295-Q298 PolarHBondContact O-N 3.45Å; T295-Q299 PolarHBondContact O-N 2.87Å
296	A	58.6	Low	61.2	Low	56 Å²	56	107.3 Å²	107.3	46%	0.463	50%	0.504	S	S	.	.	H	α-helix	trans	-51	-41.5	177.9	0	0	0	0	0	112.6	Q298 Q299 Q300	A296-Q298 VanDerWaalsContact C-N 3.34Å; A296-Q298 PolarHBondContact O-N 2.84Å; A296-Q299 WeakPolarHBondContact O-CB 3.44Å; A296-Q299 PolarHBondContact O-N 3.19Å; A296-Q300 PolarHBondContact O-N 3.09Å
297	R	55.6	Low	62	Low	99 Å²	99	108.1 Å²	108.1	37%	0.374	51%	0.507	S	S	.	.	H	α-helix	trans	-62.7	-33.6	171.9	-177.6	177.7	-177	150.5	10	114.4	T295 Q300 I301	T295-R297 PolarHBondContact O-N 3.2Å; T295-R297 VanDerWaalsContact O-N 3.12Å; R297-Q300 PolarHBondContact O-N 2.65Å; R297-I301 HydrophobicContact CG-CD1 4.01Å; R297-I301 VanDerWaalsContact O-CG1 3.3Å; R297-I301 WeakPolarHBondContact O-CG1 3.24Å; R297-I301 PolarHBondContact O-N 3.44Å
298	Q	67	Low	62.7	Low	99 Å²	99	109 Å²	109	46%	0.463	51%	0.505	S	S	.	.	H	α-helix	trans	-76.8	-30.6	178.5	-146.1	179.8	18.3	0	0	111.2	L294 T295 A296 K302	L294-Q298 HydrophobicContact CB-CB 4.29Å; L294-Q298 HydrophobicContact CD2-CB 4.18Å; L294-Q298 HydrophobicContact CD2-CG 3.9Å; T295-Q298 CarbonylContact O-C 3.58Å; T295-Q298 WeakPolarHBondContact O-CA 3.29Å; T295-Q298 VanDerWaalsContact O-CB 3.31Å; T295-Q298 WeakPolarHBondContact O-CB 3.47Å; T295-Q298 PolarHBondContact O-N 3.45Å; A296-Q298 VanDerWaalsContact C-N 3.34Å; A296-Q298 PolarHBondContact O-N 2.84Å; Q298-K302 VanDerWaalsContact O-CB 3.31Å; Q298-K302 WeakPolarHBondContact O-CB 3.38Å; Q298-K302 PolarHBondContact O-N 3.47Å
299	Q	68.9	Low	63.4	Low	114 Å²	114	108 Å²	108	53%	0.533	50%	0.5	S	S	.	.	H	α-helix	trans	-67.5	-44.3	166.3	-60.5	178.7	13.3	0	0	110.9	L294 T295 A296 K302 K303	L294-Q299 HydrophobicContact CB-CG 3.81Å; L294-Q299 PolarHBondContact O-NE2 3.02Å; T295-Q299 PolarHBondContact O-N 2.87Å; A296-Q299 WeakPolarHBondContact O-CB 3.44Å; A296-Q299 PolarHBondContact O-N 3.19Å; Q299-K302 PolarHBondContact O-N 3.37Å; Q299-K303 PolarHBondContact O-N 2.92Å
300	Q	72.2	Confident	64.6	Low	96 Å²	96	104.6 Å²	104.6	45%	0.449	49%	0.487	S	S	.	.	H	α-helix	trans	-60.5	-50.5	175.4	-171.4	64.6	42.5	0	0	111.6	A296 R297 K302 K303 D304	A296-Q300 PolarHBondContact O-N 3.09Å; R297-Q300 PolarHBondContact O-N 2.65Å; Q300-K302 PolarHBondContact O-N 3.43Å; Q300-K303 CarbonylContact O-C 3.59Å; Q300-K303 WeakPolarHBondContact O-CA 3.42Å; Q300-K303 WeakPolarHBondContact O-CB 3.28Å; Q300-K303 PolarHBondContact O-N 3.16Å; Q300-D304 PolarHBondContact NE2-OD1 3.23Å; Q300-D304 PolarHBondContact O-N 2.89Å
301	I	74.4	Confident	66	Low	79 Å²	79	101.6 Å²	101.6	41%	0.405	48%	0.478	S	S	.	.	H	α-helix	trans	-60.2	-34.4	176.4	-69.4	163.5	0	0	0	111.5	R297 N305	R297-I301 HydrophobicContact CG-CD1 4.01Å; R297-I301 VanDerWaalsContact O-CG1 3.3Å; R297-I301 WeakPolarHBondContact O-CG1 3.24Å; R297-I301 PolarHBondContact O-N 3.44Å; I301-N305 VanDerWaalsContact O-CB 3.3Å; I301-N305 WeakPolarHBondContact O-CB 3.49Å; I301-N305 VanDerWaalsContact O-CG 3.26Å; I301-N305 PolarHBondContact O-N 2.82Å
302	K	75.3	Confident	67.5	Low	104 Å²	104	101.3 Å²	101.3	45%	0.452	47%	0.472	S	S	.	.	H	α-helix	trans	-67.7	-42.7	173.9	-171.3	169.9	-178	-73.3	0	111.3	Q298 Q299 Q300 N305 E306	Q298-K302 VanDerWaalsContact O-CB 3.31Å; Q298-K302 WeakPolarHBondContact O-CB 3.38Å; Q298-K302 PolarHBondContact O-N 3.47Å; Q299-K302 PolarHBondContact O-N 3.37Å; Q300-K302 PolarHBondContact O-N 3.43Å; K302-N305 PolarHBondContact O-N 3.28Å; K302-E306 IonicContact NZ-OE1 2.63Å; K302-E306 PolarHBondContact NZ-OE1 3.39Å; K302-E306 IonicContact NZ-OE2 3.22Å; K302-E306 WeakPolarHBondContact O-CB 3Å; K302-E306 VanDerWaalsContact O-CG 3.23Å; K302-E306 WeakPolarHBondContact O-CG 3.26Å; K302-E306 PolarHBondContact O-N 3.39Å
303	K	75.9	Confident	69	Low	114 Å²	114	96.4 Å²	96.4	50%	0.496	45%	0.454	S	S	.	.	H	α-helix	trans	-63.9	-42.3	174.2	-166.5	-173.1	175.3	-168.2	0	111.7	Q299 Q300 E306 M307	Q299-K303 PolarHBondContact O-N 2.92Å; Q300-K303 CarbonylContact O-C 3.59Å; Q300-K303 WeakPolarHBondContact O-CA 3.42Å; Q300-K303 WeakPolarHBondContact O-CB 3.28Å; Q300-K303 PolarHBondContact O-N 3.16Å; K303-E306 PolarHBondContact O-N 3.24Å; K303-M307 HydrophobicContact CG-CE 4.18Å; K303-M307 HydrophobicContact CG-CG 4.5Å; K303-M307 HydrophobicContact CG-SD 4.37Å; K303-M307 WeakPolarHBondContact O-CB 3.32Å; K303-M307 VanDerWaalsContact O-CG 3.24Å; K303-M307 WeakPolarHBondContact O-CG 3.14Å; K303-M307 PolarHBondContact O-N 3.01Å
304	D	75.9	Confident	70.1	Confident	69 Å²	69	93.5 Å²	93.5	37%	0.369	45%	0.445	S	S	.	.	H	α-helix	trans	-64.4	-42.7	177.3	-59.9	-18	0	0	0	111	Q300 M307 W308	Q300-D304 PolarHBondContact NE2-OD1 3.23Å; Q300-D304 PolarHBondContact O-N 2.89Å; D304-M307 PolarHBondContact O-N 2.85Å; D304-W308 WeakPolarHBondContact O-CB 3.45Å; D304-W308 PolarHBondContact O-N 3.34Å
305	N	77.5	Confident	71.2	Confident	92 Å²	92	100.6 Å²	100.6	49%	0.492	47%	0.468	S	S	.	.	H	α-helix	trans	-65	-43.6	173.1	-77.7	-7.8	0	0	0	111.7	I301 K302 W308 E309	I301-N305 VanDerWaalsContact O-CB 3.3Å; I301-N305 WeakPolarHBondContact O-CB 3.49Å; I301-N305 VanDerWaalsContact O-CG 3.26Å; I301-N305 PolarHBondContact O-N 2.82Å; K302-N305 PolarHBondContact O-N 3.28Å; N305-W308 CarbonylContact O-C 3.5Å; N305-W308 PolarHBondContact O-N 3.42Å; N305-E309 WeakPolarHBondContact O-CB 3.4Å; N305-E309 WeakPolarHBondContact O-CG 3.43Å; N305-E309 PolarHBondContact O-N 2.67Å
306	E	77.4	Confident	72.3	Confident	80 Å²	80	100.9 Å²	100.9	37%	0.374	47%	0.473	S	S	.	.	H	α-helix	trans	-64.4	-39.5	176.6	-77.3	167.7	168.1	0	0	111.6	K302 K303 W308 E309 N310	K302-E306 IonicContact NZ-OE1 2.63Å; K302-E306 PolarHBondContact NZ-OE1 3.39Å; K302-E306 IonicContact NZ-OE2 3.22Å; K302-E306 WeakPolarHBondContact O-CB 3Å; K302-E306 VanDerWaalsContact O-CG 3.23Å; K302-E306 WeakPolarHBondContact O-CG 3.26Å; K302-E306 PolarHBondContact O-N 3.39Å; K303-E306 PolarHBondContact O-N 3.24Å; E306-W308 VanDerWaalsContact C-N 3.34Å; E306-E309 PolarHBondContact O-N 2.9Å; E306-N310 WeakPolarHBondContact O-CB 3.33Å; E306-N310 PolarHBondContact O-N 3.47Å; E306-N310 PolarHBondContact O-ND2 3.49Å
307	M	74.8	Confident	72.6	Confident	84 Å²	84	101.1 Å²	101.1	41%	0.414	48%	0.481	S	S	.	.	H	α-helix	trans	-65.7	-36.1	172.5	-72.2	-175.1	-55.6	0	0	111.7	K303 D304 N311	K303-M307 HydrophobicContact CG-CE 4.18Å; K303-M307 HydrophobicContact CG-CG 4.5Å; K303-M307 HydrophobicContact CG-SD 4.37Å; K303-M307 WeakPolarHBondContact O-CB 3.32Å; K303-M307 VanDerWaalsContact O-CG 3.24Å; K303-M307 WeakPolarHBondContact O-CG 3.14Å; K303-M307 PolarHBondContact O-N 3.01Å; D304-M307 PolarHBondContact O-N 2.85Å; M307-N311 WeakPolarHBondContact O-CB 3.49Å; M307-N311 PolarHBondContact O-N 3.47Å
308	W	74.3	Confident	73.1	Confident	150 Å²	150	102.3 Å²	102.3	57%	0.568	49%	0.493	S	S	*	.	H	α-helix	trans	-71.1	-42.8	175.2	-176.7	90.6	0	0	0	112.7	D304 N305 E306 N311 R312	D304-W308 WeakPolarHBondContact O-CB 3.45Å; D304-W308 PolarHBondContact O-N 3.34Å; N305-W308 CarbonylContact O-C 3.5Å; N305-W308 PolarHBondContact O-N 3.42Å; E306-W308 VanDerWaalsContact C-N 3.34Å; W308-N311 PolarHBondContact O-N 3.04Å; W308-R312 VanDerWaalsContact CZ2-NH1 3.3Å; W308-R312 VanDerWaalsContact O-CB 3.28Å; W308-R312 WeakPolarHBondContact O-CB 3.38Å; W308-R312 PolarHBondContact O-N 2.99Å
309	E	74.9	Confident	72.4	Confident	112 Å²	112	100.5 Å²	100.5	52%	0.523	49%	0.486	S	S	.	.	H	α-helix	trans	-66.1	-43.2	174.6	-72.8	-170.1	139.6	0	0	110.9	N305 E306 R312 L313	N305-E309 WeakPolarHBondContact O-CB 3.4Å; N305-E309 WeakPolarHBondContact O-CG 3.43Å; N305-E309 PolarHBondContact O-N 2.67Å; E306-E309 PolarHBondContact O-N 2.9Å; E309-R312 CarbonylContact O-C 3.57Å; E309-R312 WeakPolarHBondContact O-CA 3.48Å; E309-R312 WeakPolarHBondContact O-CB 3.25Å; E309-R312 PolarHBondContact O-N 3.28Å; E309-L313 WeakPolarHBondContact O-CB 3.4Å; E309-L313 VanDerWaalsContact O-CG 3.31Å; E309-L313 WeakPolarHBondContact O-CG 3.43Å; E309-L313 PolarHBondContact O-N 3.08Å
310	N	76	Confident	71.8	Confident	86 Å²	86	103.9 Å²	103.9	46%	0.46	50%	0.501	S	S	.	.	H	α-helix	trans	-62	-43.8	173.3	-73.4	-20.2	0	0	0	111.8	E306 R312 L313 F314	E306-N310 WeakPolarHBondContact O-CB 3.33Å; E306-N310 PolarHBondContact O-N 3.47Å; E306-N310 PolarHBondContact O-ND2 3.49Å; N310-R312 PolarHBondContact O-N 3.41Å; N310-L313 PolarHBondContact O-N 3.24Å; N310-F314 WeakPolarHBondContact O-CB 3.35Å; N310-F314 PolarHBondContact O-N 3.02Å
311	N	75.3	Confident	70.6	Confident	78 Å²	78	110.5 Å²	110.5	42%	0.417	52%	0.522	S	S	.	.	H	α-helix	trans	-59.7	-35.2	172.5	-117.4	-77.8	0	0	0	112.1	M307 W308 R315	M307-N311 WeakPolarHBondContact O-CB 3.49Å; M307-N311 PolarHBondContact O-N 3.47Å; W308-N311 PolarHBondContact O-N 3.04Å; N311-R315 WeakPolarHBondContact O-CB 3.43Å; N311-R315 VanDerWaalsContact O-CG 3.26Å; N311-R315 WeakPolarHBondContact O-CG 3.44Å; N311-R315 PolarHBondContact O-N 2.9Å
312	R	75.4	Confident	69.2	Low	157 Å²	157	114.1 Å²	114.1	59%	0.592	54%	0.539	S	S	*	.	H	α-helix	trans	-76	-38.7	-179.6	-168.8	172.1	179.8	124.8	1.4	112.4	W308 E309 N310 R315 S316	W308-R312 VanDerWaalsContact CZ2-NH1 3.3Å; W308-R312 VanDerWaalsContact O-CB 3.28Å; W308-R312 WeakPolarHBondContact O-CB 3.38Å; W308-R312 PolarHBondContact O-N 2.99Å; E309-R312 CarbonylContact O-C 3.57Å; E309-R312 WeakPolarHBondContact O-CA 3.48Å; E309-R312 WeakPolarHBondContact O-CB 3.25Å; E309-R312 PolarHBondContact O-N 3.28Å; N310-R312 PolarHBondContact O-N 3.41Å; R312-R315 PolarHBondContact O-N 3.38Å; R312-S316 PolarHBondContact O-N 3.18Å; R312-S316 PolarHBondContact O-OG 3.18Å
313	L	74.1	Confident	67.8	Low	65 Å²	65	118.4 Å²	118.4	34%	0.34	56%	0.561	S	S	.	*	H	α-helix	trans	-70.1	-36.5	173.9	-72.2	167.1	0	0	0	112.2	E309 N310 S316 G317 I318 I319	E309-L313 WeakPolarHBondContact O-CB 3.4Å; E309-L313 VanDerWaalsContact O-CG 3.31Å; E309-L313 WeakPolarHBondContact O-CG 3.43Å; E309-L313 PolarHBondContact O-N 3.08Å; N310-L313 PolarHBondContact O-N 3.24Å; L313-S316 WeakPolarHBondContact CA-OG 3.47Å; L313-S316 CarbonylContact O-C 3.52Å; L313-S316 PolarHBondContact O-N 3.15Å; L313-S316 PolarHBondContact O-OG 2.99Å; L313-G317 PolarHBondContact O-N 3.23Å; L313-G317 VanDerWaalsContact O-N 3.16Å; L313-I318 HydrophobicContact CD2-CD1 4.19Å; L313-I318 PolarHBondContact O-N 3.19Å; L313-I318 VanDerWaalsContact O-N 3.1Å; L313-I319 HydrophobicContact CB-CD1 3.6Å; L313-I319 HydrophobicContact CB-CG1 4.04Å; L313-I319 HydrophobicContact CD1-CD1 4.09Å; L313-I319 HydrophobicContact CG-CD1 4.49Å
314	F	68.9	Low	66	Low	100 Å²	100	118.7 Å²	118.7	44%	0.439	57%	0.567	S	S	.	*	H	α-helix	trans	-64.9	-45.2	170.8	-167.8	-93.7	0	0	0	110.6	N310 S316 G317 L324	N310-F314 WeakPolarHBondContact O-CB 3.35Å; N310-F314 PolarHBondContact O-N 3.02Å; F314-S316 VanDerWaalsContact C-N 3.26Å; F314-S316 PolarHBondContact O-N 3.38Å; F314-G317 PolarHBondContact O-N 3.01Å; F314-L324 HydrophobicContact CZ-CD2 4.18Å
315	R	72.2	Confident	64.2	Low	214 Å²	214	124.3 Å²	124.3	81%	0.808	59%	0.591	S	S	*	*	H	α-helix	trans	-65.9	-21.1	172.9	-77.5	-179.4	-177.9	-146.5	0.8	114.5	N311 R312	N311-R315 WeakPolarHBondContact O-CB 3.43Å; N311-R315 VanDerWaalsContact O-CG 3.26Å; N311-R315 WeakPolarHBondContact O-CG 3.44Å; N311-R315 PolarHBondContact O-N 2.9Å; R312-R315 PolarHBondContact O-N 3.38Å
316	S	73.1	Confident	62.5	Low	71 Å²	71	127.5 Å²	127.5	50%	0.497	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.5	1.8	170.8	67.9	0	0	0	0	113.7	R312 L313 F314 I318	R312-S316 PolarHBondContact O-N 3.18Å; R312-S316 PolarHBondContact O-OG 3.18Å; L313-S316 WeakPolarHBondContact CA-OG 3.47Å; L313-S316 CarbonylContact O-C 3.52Å; L313-S316 PolarHBondContact O-N 3.15Å; L313-S316 PolarHBondContact O-OG 2.99Å; F314-S316 VanDerWaalsContact C-N 3.26Å; F314-S316 PolarHBondContact O-N 3.38Å; S316-I318 VanDerWaalsContact C-N 3.29Å; S316-I318 PolarHBondContact O-N 2.77Å; S316-I318 WeakPolarHBondContact OG-CD1 3.38Å
317	G	66.1	Low	60.9	Low	61 Å²	61	129.4 Å²	129.4	63%	0.629	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.7	13.1	175.8	0	0	0	0	0	115.6	L313 F314	L313-G317 PolarHBondContact O-N 3.23Å; L313-G317 VanDerWaalsContact O-N 3.16Å; F314-G317 PolarHBondContact O-N 3.01Å
318	I	66	Low	59.3	Low	124 Å²	124	134.5 Å²	134.5	64%	0.636	64%	0.636	S	S	*	*			trans	-81.1	-28.3	-175.3	-65.3	174.9	0	0	0	111.6	L313 S316	L313-I318 HydrophobicContact CD2-CD1 4.19Å; L313-I318 PolarHBondContact O-N 3.19Å; L313-I318 VanDerWaalsContact O-N 3.1Å; S316-I318 VanDerWaalsContact C-N 3.29Å; S316-I318 PolarHBondContact O-N 2.77Å; S316-I318 WeakPolarHBondContact OG-CD1 3.38Å
319	I	52.7	Low	58	Low	60 Å²	60	132.3 Å²	132.3	31%	0.308	64%	0.636	S	S	.	*	S	Bend	trans	-101.1	118	179.4	-60.4	174.6	0	0	0	109.7	L313	L313-I319 HydrophobicContact CB-CD1 3.6Å; L313-I319 HydrophobicContact CB-CG1 4.04Å; L313-I319 HydrophobicContact CD1-CD1 4.09Å; L313-I319 HydrophobicContact CG-CD1 4.49Å
320	Q	55.9	Low	56.5	Low	185 Å²	185	131.8 Å²	131.8	86%	0.864	64%	0.637	S	S	*	*			trans	-80.7	126.7	167.9	-68.8	-171.1	1.4	0	0	110.6	M322	Q320-M322 PolarHBondContact O-N 3.09Å
321	R	47.1	Very low	55	Low	235 Å²	235	134.9 Å²	134.9	89%	0.887	65%	0.653	S	S	*	*			trans	25.8	90.7	162	-71.2	-177.2	171	178.7	-3.8	116.9
322	M	45.1	Very low	53.5	Low	155 Å²	155	135 Å²	135	76%	0.764	66%	0.66	S	S	*	*			trans	-81.6	160.7	131.9	-68.4	-177.4	67.5	0	0	108.6	Q320	Q320-M322 PolarHBondContact O-N 3.09Å
323	E	45.4	Very low	52	Low	195 Å²	195	134.9 Å²	134.9	91%	0.911	67%	0.666	S	S	*	*			trans	-66.7	139.3	-179.8	-64.1	-176.9	126.5	0	0	110.8	E325	E323-E325 PolarHBondContact O-N 2.88Å
324	L	37.8	Very low	50.9	Low	119 Å²	119	136.3 Å²	136.3	62%	0.623	68%	0.682	S	S	*	*			trans	-87.1	100.9	-179.3	-76.5	167.3	0	0	0	109.8	F314 E326	F314-L324 HydrophobicContact CZ-CD2 4.18Å; L324-E326 HydrophobicContact CB-CG 4.19Å; L324-E326 PolarHBondContact O-N 2.88Å
325	E	38.8	Very low	50.6	Low	187 Å²	187	138.4 Å²	138.4	87%	0.874	69%	0.687	S	S	*	*			trans	-72.4	104.1	153.3	-68	-179.5	138.4	0	0	107.1	E323 D327	E323-E325 PolarHBondContact O-N 2.88Å; E325-D327 PolarHBondContact O-N 3.47Å
326	E	41.2	Very low	50.4	Low	159 Å²	159	130.6 Å²	130.6	74%	0.743	66%	0.663	S	S	*	*			trans	-77.9	8.5	-174.5	-63.8	-164.8	136.5	0	0	113.9	L324 F328	L324-E326 HydrophobicContact CB-CG 4.19Å; L324-E326 PolarHBondContact O-N 2.88Å; E326-F328 PolarHBondContact O-N 2.78Å
327	D	43.3	Very low	50.5	Low	120 Å²	120	129.9 Å²	129.9	64%	0.642	65%	0.653	S	S	*	*			trans	-79	77.3	-176.6	-99.7	-57	0	0	0	113.1	E325 N329 D330	E325-D327 PolarHBondContact O-N 3.47Å; D327-N329 PolarHBondContact O-N 3.14Å; D327-N329 PolarHBondContact OD1-ND2 3.12Å; D327-D330 PolarHBondContact O-N 2.97Å
328	F	41.8	Very low	51.1	Low	191 Å²	191	127.6 Å²	127.6	84%	0.838	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	24	168.1	-80.1	-88.7	0	0	0	114.4	E326	E326-F328 PolarHBondContact O-N 2.78Å
329	N	46.6	Very low	51.6	Low	105 Å²	105	123 Å²	123	56%	0.561	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	-6.4	175.4	-71.8	-53.6	0	0	0	113.7	D327 D331 S332	D327-N329 PolarHBondContact O-N 3.14Å; D327-N329 PolarHBondContact OD1-ND2 3.12Å; N329-D331 PolarHBondContact O-N 3.49Å; N329-S332 WeakPolarHBondContact O-CB 3.19Å; N329-S332 PolarHBondContact O-N 3.33Å; N329-S332 PolarHBondContact O-OG 3.36Å
330	D	43.5	Very low	52.7	Low	101 Å²	101	122.7 Å²	122.7	54%	0.54	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-61.1	-19.7	-162.5	-154.9	39.9	0	0	0	115.8	D327 S332 E333	D327-D330 PolarHBondContact O-N 2.97Å; D330-S332 PolarHBondContact O-N 3.06Å; D330-E333 PolarHBondContact O-N 2.93Å; D330-E333 WeakPolarHBondContact OD1-CB 3.4Å; D330-E333 WeakPolarHBondContact OD1-CG 3.37Å
331	D	44.3	Very low	53.5	Low	151 Å²	151	116.2 Å²	116.2	81%	0.807	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-53.8	-18.3	165.4	-87.2	-16.9	0	0	0	113	N329	N329-D331 PolarHBondContact O-N 3.49Å
332	S	43.9	Very low	54.5	Low	81 Å²	81	107.7 Å²	107.7	57%	0.566	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-86.6	-35.5	176.4	-47.9	0	0	0	0	113.6	N329 D330 R335	N329-S332 WeakPolarHBondContact O-CB 3.19Å; N329-S332 PolarHBondContact O-N 3.33Å; N329-S332 PolarHBondContact O-OG 3.36Å; D330-S332 PolarHBondContact O-N 3.06Å; S332-R335 PolarHBondContact O-N 2.86Å
333	E	43.6	Very low	55.6	Low	154 Å²	154	101.4 Å²	101.4	72%	0.72	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-35.7	-168.3	-69.6	-91.8	137	0	0	111.8	D330 R335	D330-E333 PolarHBondContact O-N 2.93Å; D330-E333 WeakPolarHBondContact OD1-CB 3.4Å; D330-E333 WeakPolarHBondContact OD1-CG 3.37Å; E333-R335 PolarHBondContact O-N 2.68Å; E333-R335 VanDerWaalsContact O-N 3.08Å
334	S	51.9	Low	56.8	Low	94 Å²	94	95.2 Å²	95.2	66%	0.657	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-15.3	178	64.9	0	0	0	0	114.7	V336	S334-V336 PolarHBondContact O-N 3.34Å
335	R	61.8	Low	58.3	Low	144 Å²	144	89.6 Å²	89.6	54%	0.543	46%	0.46	S	S	.	.			trans	-87.4	93.1	-176.4	-69.2	-170.8	176.9	167.5	4.7	112.4	S332 E333 N337 D1044	S332-R335 PolarHBondContact O-N 2.86Å; E333-R335 PolarHBondContact O-N 2.68Å; E333-R335 VanDerWaalsContact O-N 3.08Å; R335-N337 PolarHBondContact O-N 2.96Å; R335-N337 PolarHBondContact O-ND2 3.29Å; R335-D1044 IonicContact NE-OD2 2.86Å
336	V	68.9	Low	59.5	Low	50 Å²	50	81.7 Å²	81.7	30%	0.303	43%	0.425	S	S	.	.			trans	-56.2	95	171.9	-176.6	0	0	0	0	110.9	S334 Y1045 I1080	S334-V336 PolarHBondContact O-N 3.34Å; V336-Y1045 WeakPolarHBondContact O-CE2 3.25Å; V336-Y1045 PolarHBondContact O-OH 3.35Å; V336-I1080 HydrophobicContact CG1-CG1 4.35Å; V336-I1080 HydrophobicContact CG1-CG2 4.19Å
337	N	75.6	Confident	60.8	Low	57 Å²	57	74.9 Å²	74.9	31%	0.305	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-79.2	123.5	175.9	-81.5	-87.5	0	0	0	110	R335 R1012 K1081	R335-N337 PolarHBondContact O-N 2.96Å; R335-N337 PolarHBondContact O-ND2 3.29Å; N337-R1012 PolarHBondContact OD1-NH1 2.87Å; N337-R1012 PolarHBondContact OD1-NH2 3.12Å; N337-K1081 HydrophobicContact CB-CB 4Å; N337-K1081 HydrophobicContact CB-CD 4.08Å; N337-K1081 WeakPolarHBondContact O-CB 3.05Å; N337-K1081 PolarHBondContact O-N 2.9Å
338	L	77.6	Confident	61.9	Low	13 Å²	13	70 Å²	70	7%	0.068	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	139	172.8	-66.3	178.9	0	0	0	112.4	Y1045 G1067 L1070 A1071 Y1078 I1080	L338-Y1045 HydrophobicContact CB-CE1 4.4Å; L338-Y1045 HydrophobicContact CD1-CD1 4.3Å; L338-Y1045 HydrophobicContact CD1-CE1 3.88Å; L338-Y1045 HydrophobicContact CG-CE1 4.28Å; L338-Y1045 PolarHBondContact N-OH 2.86Å; L338-G1067 WeakPolarHBondContact CD2-O 3.41Å; L338-L1070 HydrophobicContact CD1-CB 3.75Å; L338-L1070 HydrophobicContact CD1-CD1 3.82Å; L338-L1070 HydrophobicContact CD1-CG 4.45Å; L338-A1071 HydrophobicContact CD2-CB 4.02Å; L338-Y1078 HydrophobicContact CD1-CD1 4.44Å; L338-Y1078 HydrophobicContact CD1-CG 4.4Å; L338-I1080 HydrophobicContact CD2-CG1 4.3Å
339	L	76.7	Confident	62.8	Low	26 Å²	26	65 Å²	65	14%	0.136	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	136.8	162.6	-63.3	171.6	0	0	0	108.6	Y1078 S1079 K1081 K1090	L339-Y1078 WeakPolarHBondContact O-CA 3.42Å; L339-S1079 PolarHBondContact N-O 3.31Å; L339-S1079 PolarHBondContact O-N 2.83Å; L339-S1079 VanDerWaalsContact O-N 3.14Å; L339-K1081 HydrophobicContact CD1-CB 4.37Å; L339-K1081 HydrophobicContact CD1-CG 4.37Å; L339-K1081 HydrophobicContact CD2-CB 4.37Å; L339-K1081 HydrophobicContact CD2-CD 4.02Å; L339-K1081 HydrophobicContact CD2-CG 4.07Å; L339-K1081 HydrophobicContact CG-CB 3.99Å; L339-K1081 HydrophobicContact CG-CG 4.16Å; L339-K1090 HydrophobicContact CD1-CD 4.29Å
340	V	76.4	Confident	63.5	Low	54 Å²	54	62.9 Å²	62.9	33%	0.327	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.1	179.6	-172.9	0	0	0	0	110.5	L1022 F1077 Y1078	V340-L1022 HydrophobicContact CG2-CB 4.24Å; V340-L1022 HydrophobicContact CG2-CD2 4.22Å; V340-F1077 CarbonylContact C-O 3.54Å; V340-F1077 VanDerWaalsContact CA-O 3.31Å; V340-F1077 WeakPolarHBondContact CA-O 3.38Å; V340-Y1078 HydrophobicContact CG1-CE1 4.24Å; V340-Y1078 HydrophobicContact CG2-CD1 4.2Å; V340-Y1078 HydrophobicContact CG2-CE1 4.11Å
341	H	72.8	Confident	64.1	Low	49 Å²	49	65.9 Å²	65.9	23%	0.227	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-101.9	131	176.1	-55.9	-66.3	0	0	0	110.4	M343 F1077 S1079	H341-M343 HydrophobicContact CB-CG 4.08Å; H341-M343 PolarHBondContact O-N 3.18Å; H341-F1077 PolarHBondContact N-O 3.04Å; H341-F1077 WeakPolarHBondContact O-CD1 3.41Å; H341-S1079 VanDerWaalsContact NE2-CA 3.34Å; H341-S1079 WeakPolarHBondContact NE2-CA 3.38Å; H341-S1079 WeakPolarHBondContact NE2-CB 3.47Å; H341-S1079 PolarHBondContact NE2-N 3.5Å; H341-S1079 VanDerWaalsContact NE2-N 3.15Å; H341-S1079 PolarHBondContact NE2-OG 3.46Å
342	N	67.7	Low	64.9	Low	57 Å²	57	62.3 Å²	62.3	31%	0.305	34%	0.336	S	S	.	.			trans	-100.4	63.9	172.2	-80.3	-35.3	0	0	0	110.1
343	M	68.1	Low	65.8	Low	23 Å²	23	63.4 Å²	63.4	11%	0.113	34%	0.335	C	S	.	.			trans	-68.2	132.5	174.8	-58.6	-56	-86.4	0	0	110	H341 Y854 W857 M1076 T1094 D1097 M1098 M1101	H341-M343 HydrophobicContact CB-CG 4.08Å; H341-M343 PolarHBondContact O-N 3.18Å; M343-Y854 VanDerWaalsContact O-CE2 3.23Å; M343-Y854 WeakPolarHBondContact O-CE2 3.26Å; M343-Y854 PolarHBondContact O-OH 2.86Å; M343-W857 HydrophobicContact CB-CH2 4.49Å; M343-M1076 WeakPolarHBondContact CG-O 3.48Å; M343-T1094 HydrophobicContact CE-CG2 3.98Å; M343-T1094 HydrophobicContact SD-CG2 3.65Å; M343-D1097 HydrophobicContact CE-CB 3.98Å; M343-M1098 HydrophobicContact CE-CG 3.93Å; M343-M1101 HydrophobicContact CE-CE 3.72Å
344	V	69.8	Low	66.6	Low	65 Å²	65	57 Å²	57	39%	0.394	30%	0.304	S	S	.	.			trans	-123.9	125.6	175.8	179.1	0	0	0	0	107.6	L348	V344-L348 HydrophobicContact CG1-CB 3.85Å
345	P	69.7	Low	67.5	Low	0 Å²	0	53 Å²	53	0%	0	28%	0.276	C	S	.	.			trans	-69.5	148.1	-177.2	29.3	-35.6	0	0	0	110.6	F347 L348 W857	P345-F347 HydrophobicContact CB-CD1 3.72Å; P345-F347 HydrophobicContact CB-CE1 3.58Å; P345-F347 HydrophobicContact CG-CD1 3.92Å; P345-F347 HydrophobicContact CG-CE1 3.48Å; P345-F347 VanDerWaalsContact CG-CE1 3.48Å; P345-F347 HydrophobicContact CG-CZ 4.03Å; P345-F347 PolarHBondContact O-N 3.13Å; P345-L348 HydrophobicContact CG-CB 4.44Å; P345-L348 HydrophobicContact CG-CD1 3.77Å; P345-L348 HydrophobicContact CG-CG 4.02Å; P345-L348 PolarHBondContact O-N 2.8Å; P345-W857 HydrophobicContact CB-CD2 3.96Å; P345-W857 HydrophobicContact CB-CE3 4.46Å; P345-W857 HydrophobicContact CB-CG 4.39Å; P345-W857 HydrophobicContact CB-CH2 4.35Å; P345-W857 HydrophobicContact CB-CZ2 3.83Å; P345-W857 HydrophobicContact CG-CD2 3.63Å; P345-W857 HydrophobicContact CG-CE3 3.86Å; P345-W857 HydrophobicContact CG-CG 4Å; P345-W857 HydrophobicContact CG-CH2 4.48Å; P345-W857 HydrophobicContact CG-CZ2 4.28Å; P345-W857 HydrophobicContact CG-CZ3 4.29Å
346	P	63.9	Low	67.9	Low	21 Å²	21	55.1 Å²	55.1	14%	0.136	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-66.4	-11.7	-167	-19.5	30.9	0	0	0	115.1	L348 D349 M1101 E1102 M1105	P346-L348 VanDerWaalsContact C-N 3.28Å; P346-D349 WeakPolarHBondContact O-CB 3.34Å; P346-M1101 HydrophobicContact CG-CB 4.49Å; P346-E1102 HydrophobicContact CG-CG 4.12Å; P346-M1105 HydrophobicContact CB-CE 3.7Å; P346-M1105 HydrophobicContact CB-SD 3.91Å; P346-M1105 HydrophobicContact CG-CE 4.14Å
347	F	68.9	Low	68.1	Low	16 Å²	16	55.7 Å²	55.7	7%	0.07	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-78.7	-12.9	174.5	73.8	-89.3	0	0	0	113.1	P345 M853 W857 N864 M1105	P345-F347 HydrophobicContact CB-CD1 3.72Å; P345-F347 HydrophobicContact CB-CE1 3.58Å; P345-F347 HydrophobicContact CG-CD1 3.92Å; P345-F347 HydrophobicContact CG-CE1 3.48Å; P345-F347 VanDerWaalsContact CG-CE1 3.48Å; P345-F347 HydrophobicContact CG-CZ 4.03Å; P345-F347 PolarHBondContact O-N 3.13Å; F347-M853 HydrophobicContact CE2-CB 4.29Å; F347-M853 HydrophobicContact CE2-SD 4.38Å; F347-W857 HydrophobicContact CE1-CG 4.36Å; F347-W857 HydrophobicContact CZ-CB 4.33Å; F347-N864 VanDerWaalsContact CD1-O 3.26Å; F347-N864 WeakPolarHBondContact CD1-O 3.44Å; F347-M1105 HydrophobicContact CB-CE 3.96Å
348	L	66.8	Low	67.8	Low	18 Å²	18	56.7 Å²	56.7	9%	0.094	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-104.8	6.2	175	-57.2	-179.9	0	0	0	112.8	V344 P345 P346 G350 F354 L850 M853 Y854	V344-L348 HydrophobicContact CG1-CB 3.85Å; P345-L348 HydrophobicContact CG-CB 4.44Å; P345-L348 HydrophobicContact CG-CD1 3.77Å; P345-L348 HydrophobicContact CG-CG 4.02Å; P345-L348 PolarHBondContact O-N 2.8Å; P346-L348 VanDerWaalsContact C-N 3.28Å; L348-G350 PolarHBondContact O-N 3.17Å; L348-F354 HydrophobicContact CD2-CE2 4.07Å; L348-F354 HydrophobicContact CD2-CZ 4.37Å; L348-L850 HydrophobicContact CD2-CD2 3.67Å; L348-M853 HydrophobicContact CD1-CB 4.38Å; L348-M853 HydrophobicContact CD2-CB 3.94Å; L348-Y854 HydrophobicContact CD1-CD2 4.06Å; L348-Y854 HydrophobicContact CD1-CG 4.47Å
349	D	60.2	Low	67.6	Low	87 Å²	87	62.9 Å²	62.9	47%	0.465	33%	0.327	S	S	.	.	S	Bend	trans	-71	34	-179.5	-173.2	44	0	0	0	114	P346 R351	P346-D349 WeakPolarHBondContact O-CB 3.34Å; D349-R351 HydrophobicContact CB-CG 4.41Å; D349-R351 WeakPolarHBondContact O-CG 3.34Å; D349-R351 PolarHBondContact O-N 2.72Å; D349-R351 IonicContact OD2-CZ 3.86Å; D349-R351 IonicContact OD2-NE 3.57Å; D349-R351 PolarHBondContact OD2-NE 3.32Å; D349-R351 IonicContact OD2-NH2 2.67Å; D349-R351 PolarHBondContact OD2-NH2 2.82Å
350	G	60.6	Low	67.6	Low	60 Å²	60	65 Å²	65	62%	0.619	34%	0.342	S	S	*	.	S	Bend	trans	65.5	-8.6	179.2	0	0	0	0	0	116.5	L348 I352	L348-G350 PolarHBondContact O-N 3.17Å; G350-I352 PolarHBondContact O-N 2.83Å
351	R	57	Low	67.7	Low	164 Å²	164	64.4 Å²	64.4	62%	0.619	34%	0.338	S	S	*	.	S	Bend	trans	-68.2	-21.5	-177.7	-50	-174.3	-164.6	174	10	113.4	D349 E1102	D349-R351 HydrophobicContact CB-CG 4.41Å; D349-R351 WeakPolarHBondContact O-CG 3.34Å; D349-R351 PolarHBondContact O-N 2.72Å; D349-R351 IonicContact OD2-CZ 3.86Å; D349-R351 IonicContact OD2-NE 3.57Å; D349-R351 PolarHBondContact OD2-NE 3.32Å; D349-R351 IonicContact OD2-NH2 2.67Å; D349-R351 PolarHBondContact OD2-NH2 2.82Å; R351-E1102 IonicContact NH2-OE1 3.5Å
352	I	61.6	Low	68.1	Low	76 Å²	76	66.4 Å²	66.4	39%	0.39	35%	0.354	S	S	.	.	S	Bend	trans	-118	121.7	-179.8	-55.3	175.9	0	0	0	108.3	G350 F354	G350-I352 PolarHBondContact O-N 2.83Å; I352-F354 HydrophobicContact CB-CE1 4.37Å; I352-F354 HydrophobicContact CB-CE2 3.95Å; I352-F354 HydrophobicContact CB-CZ 3.81Å; I352-F354 HydrophobicContact CD1-CZ 4.42Å; I352-F354 HydrophobicContact CG2-CD1 4.07Å; I352-F354 HydrophobicContact CG2-CD2 4.36Å; I352-F354 HydrophobicContact CG2-CE1 3.65Å; I352-F354 HydrophobicContact CG2-CE2 3.98Å; I352-F354 HydrophobicContact CG2-CG 4.41Å; I352-F354 HydrophobicContact CG2-CZ 3.61Å; I352-F354 WeakPolarHBondContact O-CD2 3.34Å; I352-F354 WeakPolarHBondContact O-CE2 3.05Å
353	I	62	Low	68.9	Low	104 Å²	104	64.1 Å²	64.1	53%	0.533	34%	0.342	S	S	.	.			trans	-81.8	131.9	167.5	-59.4	174.3	0	0	0	106.6	T355 L836	I353-T355 WeakPolarHBondContact CG2-O 2.99Å; I353-L836 WeakPolarHBondContact O-CD1 3.39Å; I353-L836 WeakPolarHBondContact O-CD2 3.5Å; I353-L836 VanDerWaalsContact O-CG 3.28Å; I353-L836 WeakPolarHBondContact O-CG 3.32Å
354	F	61.6	Low	69.7	Low	19 Å²	19	64.2 Å²	64.2	8%	0.083	34%	0.344	C	S	.	.			trans	-106.2	-3.8	-177.2	-69.3	-79.1	0	0	0	114.5	L348 I352 L836 I849 L850	L348-F354 HydrophobicContact CD2-CE2 4.07Å; L348-F354 HydrophobicContact CD2-CZ 4.37Å; I352-F354 HydrophobicContact CB-CE1 4.37Å; I352-F354 HydrophobicContact CB-CE2 3.95Å; I352-F354 HydrophobicContact CB-CZ 3.81Å; I352-F354 HydrophobicContact CD1-CZ 4.42Å; I352-F354 HydrophobicContact CG2-CD1 4.07Å; I352-F354 HydrophobicContact CG2-CD2 4.36Å; I352-F354 HydrophobicContact CG2-CE1 3.65Å; I352-F354 HydrophobicContact CG2-CE2 3.98Å; I352-F354 HydrophobicContact CG2-CG 4.41Å; I352-F354 HydrophobicContact CG2-CZ 3.61Å; I352-F354 WeakPolarHBondContact O-CD2 3.34Å; I352-F354 WeakPolarHBondContact O-CE2 3.05Å; F354-L836 VanDerWaalsContact C-CD2 3.49Å; F354-I849 HydrophobicContact CB-CD1 4.34Å; F354-I849 HydrophobicContact CB-CG2 4.02Å; F354-L850 HydrophobicContact CD2-CD2 3.58Å; F354-L850 HydrophobicContact CD2-CG 4.49Å; F354-L850 HydrophobicContact CE2-CD2 3.7Å
355	T	70.8	Confident	70.4	Confident	11 Å²	11	68.2 Å²	68.2	7%	0.067	35%	0.352	C	S	.	.			trans	-160.6	165.6	-176	174.5	0	0	0	0	110.7	I353 Q357 P844 Q846 I849	I353-T355 WeakPolarHBondContact CG2-O 2.99Å; T355-Q357 WeakPolarHBondContact CG2-O 3.43Å; T355-Q357 PolarHBondContact OG1-N 2.94Å; T355-P844 WeakPolarHBondContact CB-O 3.4Å; T355-P844 WeakPolarHBondContact CG2-O 3.38Å; T355-P844 PolarHBondContact OG1-O 3.04Å; T355-Q846 HydrophobicContact CG2-CB 3.47Å; T355-Q846 VanDerWaalsContact CG2-CB 3.47Å; T355-Q846 HydrophobicContact CG2-CG 4.01Å; T355-I849 HydrophobicContact CG2-CD1 3.85Å
356	K	69.7	Low	71.1	Confident	188 Å²	188	71.4 Å²	71.4	82%	0.817	37%	0.369	S	S	*	.	S	Bend	trans	-83.4	-13.6	173.3	-59.6	176.9	-174.8	171	0	113.1	P358 P843	K356-P358 WeakPolarHBondContact O-CD 3.45Å; K356-P843 HydrophobicContact CB-CG 4.48Å
357	Q	73.2	Confident	72.1	Confident	62 Å²	62	73.7 Å²	73.7	29%	0.29	38%	0.384	S	S	.	.			trans	-105.2	102.3	-174.7	-176.7	60	27.4	0	0	110.7	T355 E359 V361 P843 P845 Q846	T355-Q357 WeakPolarHBondContact CG2-O 3.43Å; T355-Q357 PolarHBondContact OG1-N 2.94Å; Q357-E359 PolarHBondContact NE2-O 3.44Å; Q357-V361 HydrophobicContact CG-CG2 4.36Å; Q357-P843 HydrophobicContact CB-CG 4.47Å; Q357-P845 CarbonylContact O-C 3.57Å; Q357-P845 WeakPolarHBondContact O-CA 3.46Å; Q357-Q846 PolarHBondContact O-N 3.47Å
358	P	68.1	Low	73	Confident	78 Å²	78	77.5 Å²	77.5	51%	0.506	41%	0.408	S	S	.	.			trans	-78.3	-38.5	-178.4	29.5	-33.4	0	0	0	112.8	K356	K356-P358 WeakPolarHBondContact O-CD 3.45Å
359	E	73.6	Confident	74	Confident	143 Å²	143	78 Å²	78	67%	0.668	41%	0.413	S	S	*	.	S	Bend	trans	-94.8	144.4	-171	-68.3	-179	172.8	0	0	112.9	Q357	Q357-E359 PolarHBondContact NE2-O 3.44Å
360	P	76.4	Confident	75.4	Confident	69 Å²	69	77.6 Å²	77.6	45%	0.448	41%	0.411	S	S	.	.			trans	-68.9	131.3	177.3	29.2	-34.7	0	0	0	111.5	V362	P360-V362 PolarHBondContact O-N 3.04Å
361	V	78.8	Confident	76.8	Confident	43 Å²	43	74.8 Å²	74.8	26%	0.261	38%	0.382	S	S	.	.			trans	-84.8	110.2	-175.7	-175.5	0	0	0	0	110.6	Q357 V812	Q357-V361 HydrophobicContact CG-CG2 4.36Å; V361-V812 HydrophobicContact CB-CG1 4.32Å; V361-V812 HydrophobicContact CG1-CG1 3.72Å; V361-V812 HydrophobicContact CG1-CG2 4.13Å
362	V	82.2	Confident	78.2	Confident	91 Å²	91	67.3 Å²	67.3	55%	0.552	36%	0.355	S	S	*	.			trans	-76.2	132.9	174.5	-178.1	0	0	0	0	109.6	P360 V364	P360-V362 PolarHBondContact O-N 3.04Å; V362-V364 HydrophobicContact CG1-CB 4.21Å; V362-V364 HydrophobicContact CG1-CG2 4.29Å; V362-V364 PolarHBondContact O-N 3.17Å
363	P	83.8	Confident	79.5	Confident	9 Å²	9	66.2 Å²	66.2	6%	0.058	35%	0.349	C	S	.	.	S	Bend	trans	-79.2	38.2	-179	34.6	-37.7	0	0	0	113.5	L757 V759 F772 V812	P363-L757 HydrophobicContact CB-CD1 4.18Å; P363-V759 HydrophobicContact CG-CG2 4.1Å; P363-F772 HydrophobicContact CG-CD1 4.01Å; P363-F772 HydrophobicContact CG-CD2 3.99Å; P363-F772 HydrophobicContact CG-CE1 3.83Å; P363-F772 HydrophobicContact CG-CE2 3.79Å; P363-F772 HydrophobicContact CG-CG 4.08Å; P363-F772 HydrophobicContact CG-CZ 3.71Å; P363-V812 HydrophobicContact CB-CG2 4.33Å
364	V	85.5	Confident	80.9	Confident	24 Å²	24	61.9 Å²	61.9	15%	0.145	33%	0.327	C	S	.	.	S	Bend	trans	-143.5	140.2	179.2	-171.4	0	0	0	0	108.4	V362 D366 A372 F772	V362-V364 HydrophobicContact CG1-CB 4.21Å; V362-V364 HydrophobicContact CG1-CG2 4.29Å; V362-V364 PolarHBondContact O-N 3.17Å; V364-D366 VanDerWaalsContact CG1-O 3.3Å; V364-D366 WeakPolarHBondContact CG1-O 3.33Å; V364-A372 HydrophobicContact CG1-CB 3.72Å; V364-F772 HydrophobicContact CG2-CD1 3.41Å; V364-F772 VanDerWaalsContact CG2-CD1 3.41Å; V364-F772 HydrophobicContact CG2-CE1 3.79Å
365	R	83.3	Confident	82.2	Confident	149 Å²	149	61.4 Å²	61.4	56%	0.562	33%	0.327	S	S	*	.	S	Bend	trans	-66.4	-46.4	178.2	-168.3	-170.9	-174.8	154.9	1.8	112.6	K804 E805 L808	R365-K804 PolarHBondContact NH1-O 2.91Å; R365-E805 WeakPolarHBondContact CD-O 3.39Å; R365-E805 PolarHBondContact NE-O 2.92Å; R365-E805 PolarHBondContact NH1-O 3.27Å; R365-L808 HydrophobicContact CB-CD2 3.82Å; R365-L808 HydrophobicContact CB-CG 4.39Å; R365-L808 HydrophobicContact CG-CD2 4.32Å
366	D	84.8	Confident	82.8	Confident	68 Å²	68	69 Å²	69	36%	0.364	35%	0.354	S	S	.	.			trans	-147	124.7	174.5	-179.7	-26.6	0	0	0	107.8	V364 T368 C369	V364-D366 VanDerWaalsContact CG1-O 3.3Å; V364-D366 WeakPolarHBondContact CG1-O 3.33Å; D366-T368 VanDerWaalsContact CG-OG1 3.25Å; D366-T368 PolarHBondContact O-N 2.93Å; D366-T368 WeakPolarHBondContact OD1-CB 3.39Å; D366-T368 PolarHBondContact OD1-N 2.77Å; D366-T368 PolarHBondContact OD1-OG1 2.82Å; D366-T368 PolarHBondContact OD2-OG1 2.94Å; D366-C369 PolarHBondContact O-N 3.43Å
367	P	84.6	Confident	83.6	Confident	68 Å²	68	66.9 Å²	66.9	44%	0.442	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.5	-178.8	29.2	-36.4	0	0	0	114	R376	P367-R376 PolarHBondContact O-NH2 2.78Å
368	T	87.8	Confident	84.2	Confident	96 Å²	96	65.2 Å²	65.2	59%	0.589	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-10.3	179.8	70.2	0	0	0	0	114.1	D366 I373	D366-T368 VanDerWaalsContact CG-OG1 3.25Å; D366-T368 PolarHBondContact O-N 2.93Å; D366-T368 WeakPolarHBondContact OD1-CB 3.39Å; D366-T368 PolarHBondContact OD1-N 2.77Å; D366-T368 PolarHBondContact OD1-OG1 2.82Å; D366-T368 PolarHBondContact OD2-OG1 2.94Å; T368-I373 VanDerWaalsContact O-CD1 3.26Å; T368-I373 WeakPolarHBondContact O-CD1 3.42Å
369	C	87.5	Confident	85.1	Confident	28 Å²	28	61.6 Å²	61.6	19%	0.189	32%	0.321	C	S	.	.	S	Bend	trans	-59.3	151	175.7	-73.5	0	0	0	0	113.7	D366 M371 A372 I373 E806	D366-C369 PolarHBondContact O-N 3.43Å; C369-M371 PolarHBondContact O-N 3.3Å; C369-A372 HydrophobicContact CB-CB 4.24Å; C369-A372 CarbonylContact O-C 3.52Å; C369-A372 WeakPolarHBondContact O-CA 3.43Å; C369-A372 WeakPolarHBondContact O-CB 3.21Å; C369-A372 PolarHBondContact O-N 2.8Å; C369-I373 PolarHBondContact O-N 3.49Å; C369-E806 HydrophobicContact CB-CB 4.22Å; C369-E806 HydrophobicContact CB-CG 3.85Å; C369-E806 WeakPolarHBondContact CB-OE2 3.49Å
370	D	89.7	Confident	85.8	Confident	79 Å²	79	57.1 Å²	57.1	42%	0.422	31%	0.308	S	S	.	.	H	α-helix	trans	-58.6	-46.1	-176.5	-76.8	-22.6	0	0	0	112	A372 I373 I374 V648 E806	D370-A372 VanDerWaalsContact C-N 3.26Å; D370-A372 PolarHBondContact O-N 3.35Å; D370-I373 PolarHBondContact O-N 3.45Å; D370-I373 VanDerWaalsContact O-N 3.12Å; D370-I374 WeakPolarHBondContact O-CB 3.48Å; D370-I374 WeakPolarHBondContact O-CD1 3.44Å; D370-I374 VanDerWaalsContact O-CG1 3.27Å; D370-I374 WeakPolarHBondContact O-CG1 3.21Å; D370-I374 PolarHBondContact O-N 3.4Å; D370-V648 HydrophobicContact CB-CG1 4.27Å; D370-E806 PolarHBondContact N-OE2 2.68Å
371	M	90	Very high	86.3	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-63.7	-32.4	176.7	-65.9	-170.5	72.2	0	0	112.2	C369 A375 Y754 P773 Y798 Q802 E806 L807	C369-M371 PolarHBondContact O-N 3.3Å; M371-A375 WeakPolarHBondContact O-CB 3.33Å; M371-A375 PolarHBondContact O-N 3.11Å; M371-Y754 HydrophobicContact CB-CE1 4.16Å; M371-Y754 HydrophobicContact CE-CD1 4.49Å; M371-Y754 HydrophobicContact CE-CE1 3.89Å; M371-Y754 HydrophobicContact CE-CE2 4.37Å; M371-Y754 WeakPolarHBondContact O-CE1 3.24Å; M371-P773 HydrophobicContact CB-CB 4.28Å; M371-P773 HydrophobicContact CB-CG 3.84Å; M371-P773 HydrophobicContact CE-CB 4.35Å; M371-Y798 HydrophobicContact CE-CD1 4.25Å; M371-Y798 HydrophobicContact CE-CG 4.29Å; M371-Y798 HydrophobicContact SD-CG 4.38Å; M371-Q802 HydrophobicContact CG-CG 4.45Å; M371-Q802 HydrophobicContact SD-CB 3.98Å; M371-Q802 HydrophobicContact SD-CG 4.43Å; M371-E806 VanDerWaalsContact CB-OE2 3.32Å; M371-E806 WeakPolarHBondContact CB-OE2 3.48Å; M371-E806 WeakPolarHBondContact CG-OE2 3.37Å; M371-E806 PolarHBondContact N-OE2 3.07Å; M371-L807 HydrophobicContact CE-CD2 4.05Å; M371-L807 HydrophobicContact SD-CD2 3.69Å
372	A	88	Confident	86.7	Confident	7 Å²	7	53.2 Å²	53.2	6%	0.058	29%	0.285	C	S	.	.	H	α-helix	trans	-75	-24.2	176.4	0	0	0	0	0	113	V364 C369 D370 R376	V364-A372 HydrophobicContact CG1-CB 3.72Å; C369-A372 HydrophobicContact CB-CB 4.24Å; C369-A372 CarbonylContact O-C 3.52Å; C369-A372 WeakPolarHBondContact O-CA 3.43Å; C369-A372 WeakPolarHBondContact O-CB 3.21Å; C369-A372 PolarHBondContact O-N 2.8Å; D370-A372 VanDerWaalsContact C-N 3.26Å; D370-A372 PolarHBondContact O-N 3.35Å; A372-R376 WeakPolarHBondContact O-CG 3.41Å; A372-R376 PolarHBondContact O-NE 2.79Å
373	I	89.1	Confident	86.8	Confident	54 Å²	54	54.2 Å²	54.2	28%	0.277	28%	0.279	S	S	.	.	H	α-helix	trans	-80.3	-44.3	171.3	-68.1	171	0	0	0	110.4	T368 C369 D370 R376 K377	T368-I373 VanDerWaalsContact O-CD1 3.26Å; T368-I373 WeakPolarHBondContact O-CD1 3.42Å; C369-I373 PolarHBondContact O-N 3.49Å; D370-I373 PolarHBondContact O-N 3.45Å; D370-I373 VanDerWaalsContact O-N 3.12Å; I373-R376 PolarHBondContact O-N 3.01Å; I373-K377 HydrophobicContact CG2-CD 3.97Å; I373-K377 HydrophobicContact CG2-CG 4.39Å; I373-K377 WeakPolarHBondContact O-CG 3.48Å; I373-K377 PolarHBondContact O-N 2.94Å
374	I	90.1	Very high	86.9	Confident	13 Å²	13	56.3 Å²	56.3	7%	0.067	30%	0.297	C	S	.	.	H	α-helix	trans	-63.5	-44.1	178.6	-67.5	159.7	0	0	0	110.8	D370 R376 K377 G378 V648 E650 Y652 Y754	D370-I374 WeakPolarHBondContact O-CB 3.48Å; D370-I374 WeakPolarHBondContact O-CD1 3.44Å; D370-I374 VanDerWaalsContact O-CG1 3.27Å; D370-I374 WeakPolarHBondContact O-CG1 3.21Å; D370-I374 PolarHBondContact O-N 3.4Å; I374-R376 PolarHBondContact O-N 3.39Å; I374-K377 PolarHBondContact O-N 3.33Å; I374-K377 VanDerWaalsContact O-N 3.17Å; I374-G378 PolarHBondContact O-N 3.06Å; I374-V648 HydrophobicContact CD1-CG1 3.99Å; I374-E650 WeakPolarHBondContact CG2-O 3.34Å; I374-Y652 HydrophobicContact CG2-CD1 4.18Å; I374-Y652 HydrophobicContact CG2-CE1 4.47Å; I374-Y754 HydrophobicContact CG2-CE2 4.45Å; I374-Y754 WeakPolarHBondContact CG2-OH 3.27Å
375	A	88.3	Confident	86.9	Confident	9 Å²	9	58.2 Å²	58.2	7%	0.074	30%	0.301	C	S	.	.	H	α-helix	trans	-56.6	-36.6	174.4	0	0	0	0	0	112.9	M371 Y754 V771	M371-A375 WeakPolarHBondContact O-CB 3.33Å; M371-A375 PolarHBondContact O-N 3.11Å; A375-Y754 HydrophobicContact CB-CD1 4.06Å; A375-Y754 HydrophobicContact CB-CE1 3.94Å; A375-V771 HydrophobicContact CB-CB 4.4Å; A375-V771 HydrophobicContact CB-CG1 4.02Å
376	R	85.3	Confident	86.7	Confident	171 Å²	171	55.6 Å²	55.6	65%	0.645	29%	0.292	S	S	*	.	H	α-helix	trans	-79.1	-30.7	177	-71.9	-175.5	-70.6	151.9	-5.3	113.9	P367 A372 I373 I374	P367-R376 PolarHBondContact O-NH2 2.78Å; A372-R376 WeakPolarHBondContact O-CG 3.41Å; A372-R376 PolarHBondContact O-NE 2.79Å; I373-R376 PolarHBondContact O-N 3.01Å; I374-R376 PolarHBondContact O-N 3.39Å
377	K	86.3	Confident	86.5	Confident	143 Å²	143	57.2 Å²	57.2	62%	0.622	30%	0.297	S	S	*	.	H	α-helix	trans	-76.8	-35.5	176.5	-74.5	175.1	177.2	174.9	0	113.2	I373 I374	I373-K377 HydrophobicContact CG2-CD 3.97Å; I373-K377 HydrophobicContact CG2-CG 4.39Å; I373-K377 WeakPolarHBondContact O-CG 3.48Å; I373-K377 PolarHBondContact O-N 2.94Å; I374-K377 PolarHBondContact O-N 3.33Å; I374-K377 VanDerWaalsContact O-N 3.17Å
378	G	85	Confident	86.5	Confident	26 Å²	26	56 Å²	56	27%	0.268	29%	0.293	S	S	.	.			trans	69.5	158	-171.9	0	0	0	0	0	114	I374 R383	I374-G378 PolarHBondContact O-N 3.06Å; G378-R383 PolarHBondContact O-NH2 3.11Å
379	S	87.3	Confident	85.9	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.021	28%	0.275	C	S	.	.			trans	-51.8	138.9	178.2	163.8	0	0	0	0	112	A381 I382 R383 D651	S379-A381 PolarHBondContact OG-N 2.96Å; S379-A381 VanDerWaalsContact OG-N 3.17Å; S379-I382 PolarHBondContact OG-N 3.25Å; S379-I382 VanDerWaalsContact OG-N 3.13Å; S379-R383 PolarHBondContact O-N 2.89Å; S379-R383 PolarHBondContact O-NE 3.42Å; S379-D651 WeakPolarHBondContact CB-OD1 3.44Å; S379-D651 PolarHBondContact OG-OD1 3.35Å; S379-D651 PolarHBondContact OG-OD2 2.72Å
380	A	88.1	Confident	85.3	Confident	48 Å²	48	56.7 Å²	56.7	40%	0.397	29%	0.287	S	S	.	.	H	α-helix	trans	-74.8	-36.8	171.2	0	0	0	0	0	111.2	I382 R383 A384 D651	A380-I382 PolarHBondContact O-N 3.01Å; A380-R383 PolarHBondContact O-N 3.2Å; A380-A384 WeakPolarHBondContact O-CB 3.37Å; A380-A384 PolarHBondContact O-N 3.38Å; A380-D651 WeakPolarHBondContact CA-OD2 3.31Å; A380-D651 PolarHBondContact N-OD2 2.9Å
381	A	87.2	Confident	84.7	Confident	22 Å²	22	58.9 Å²	58.9	18%	0.182	29%	0.289	C	S	.	.	H	α-helix	trans	-59.2	-42.5	174.4	0	0	0	0	0	112	S379 A384 W385 D651 L688	S379-A381 PolarHBondContact OG-N 2.96Å; S379-A381 VanDerWaalsContact OG-N 3.17Å; A381-A384 PolarHBondContact O-N 2.78Å; A381-W385 WeakPolarHBondContact O-CB 3.3Å; A381-W385 PolarHBondContact O-N 3.09Å; A381-D651 PolarHBondContact N-OD2 3.3Å; A381-L688 HydrophobicContact CB-CD1 4.47Å
382	I	86.8	Confident	84	Confident	8 Å²	8	64.5 Å²	64.5	4%	0.041	31%	0.313	C	S	.	.	H	α-helix	trans	-62	-45.2	173.8	-64.5	177.2	0	0	0	111	S379 A380 W385 R386 V653 E680 D681 V684	S379-I382 PolarHBondContact OG-N 3.25Å; S379-I382 VanDerWaalsContact OG-N 3.13Å; A380-I382 PolarHBondContact O-N 3.01Å; I382-W385 PolarHBondContact O-N 3.35Å; I382-R386 WeakPolarHBondContact O-CB 3.48Å; I382-R386 PolarHBondContact O-N 3.1Å; I382-V653 HydrophobicContact CD1-CG2 3.95Å; I382-V653 HydrophobicContact CG1-CG2 4.1Å; I382-E680 HydrophobicContact CG2-CG 4.02Å; I382-D681 HydrophobicContact CD1-CB 3.89Å; I382-V684 HydrophobicContact CG1-CB 4.39Å; I382-V684 HydrophobicContact CG1-CG1 4.22Å
383	R	85.2	Confident	83	Confident	112 Å²	112	66.8 Å²	66.8	42%	0.423	32%	0.32	S	S	.	.	H	α-helix	trans	-62.9	-47.6	178.4	-76.7	-179.4	-83.1	106.1	-0.9	111.8	G378 S379 A380 W385 R386 E387	G378-R383 PolarHBondContact O-NH2 3.11Å; S379-R383 PolarHBondContact O-N 2.89Å; S379-R383 PolarHBondContact O-NE 3.42Å; A380-R383 PolarHBondContact O-N 3.2Å; R383-W385 VanDerWaalsContact C-N 3.33Å; R383-W385 PolarHBondContact O-N 3.28Å; R383-R386 PolarHBondContact O-N 3Å; R383-E387 WeakPolarHBondContact O-CG 3.39Å; R383-E387 PolarHBondContact O-N 2.77Å
384	A	86.2	Confident	82	Confident	53 Å²	53	69.4 Å²	69.4	44%	0.438	34%	0.335	S	S	.	.	H	α-helix	trans	-63.1	-37.9	177.3	0	0	0	0	0	112.5	A380 A381 A388	A380-A384 WeakPolarHBondContact O-CB 3.37Å; A380-A384 PolarHBondContact O-N 3.38Å; A381-A384 PolarHBondContact O-N 2.78Å; A384-A388 VanDerWaalsContact O-CB 3.25Å; A384-A388 WeakPolarHBondContact O-CB 3.09Å; A384-A388 PolarHBondContact O-N 3.44Å
385	W	84.6	Confident	81	Confident	65 Å²	65	74.5 Å²	74.5	25%	0.246	36%	0.359	C	S	.	.	H	α-helix	trans	-66.9	-44.2	174.8	-170.8	95.5	0	0	0	111.6	A381 I382 R383 A388 E389 V684	A381-W385 WeakPolarHBondContact O-CB 3.3Å; A381-W385 PolarHBondContact O-N 3.09Å; I382-W385 PolarHBondContact O-N 3.35Å; R383-W385 VanDerWaalsContact C-N 3.33Å; R383-W385 PolarHBondContact O-N 3.28Å; W385-A388 CarbonylContact O-C 3.48Å; W385-A388 PolarHBondContact O-N 3.38Å; W385-A388 VanDerWaalsContact O-N 3.15Å; W385-E389 HydrophobicContact CE3-CB 4.28Å; W385-E389 HydrophobicContact CH2-CB 4.49Å; W385-E389 HydrophobicContact CH2-CG 4.11Å; W385-E389 WeakPolarHBondContact CH2-OE1 3.4Å; W385-E389 HydrophobicContact CZ3-CB 4.15Å; W385-E389 HydrophobicContact CZ3-CG 4.14Å; W385-E389 WeakPolarHBondContact CZ3-OE2 3.19Å; W385-E389 WeakPolarHBondContact O-CB 3.39Å; W385-E389 PolarHBondContact O-N 2.87Å; W385-V684 HydrophobicContact CB-CG1 4.16Å; W385-V684 HydrophobicContact CB-CG2 4.45Å; W385-V684 HydrophobicContact CD2-CG1 4.49Å; W385-V684 HydrophobicContact CD2-CG2 3.68Å; W385-V684 HydrophobicContact CE3-CG2 3.58Å; W385-V684 HydrophobicContact CG-CG1 4.07Å; W385-V684 HydrophobicContact CG-CG2 4.07Å; W385-V684 HydrophobicContact CZ3-CG2 4.06Å
386	R	78.2	Confident	79.8	Confident	94 Å²	94	78 Å²	78	36%	0.355	37%	0.374	S	S	.	.	H	α-helix	trans	-61	-47.9	176.6	-167.3	-171.1	-60.8	150.6	-3.3	111.5	I382 R383 A388 E389 E390 E680	I382-R386 WeakPolarHBondContact O-CB 3.48Å; I382-R386 PolarHBondContact O-N 3.1Å; R383-R386 PolarHBondContact O-N 3Å; R386-A388 VanDerWaalsContact C-N 3.28Å; R386-A388 PolarHBondContact O-N 3.03Å; R386-E389 PolarHBondContact O-N 3.02Å; R386-E390 WeakPolarHBondContact O-CB 3.24Å; R386-E390 WeakPolarHBondContact O-CG 3.18Å; R386-E390 PolarHBondContact O-N 3.42Å; R386-E680 IonicContact CZ-OE1 3.5Å; R386-E680 IonicContact CZ-OE2 2.94Å; R386-E680 IonicContact NE-OE1 2.69Å; R386-E680 PolarHBondContact NE-OE1 2.8Å; R386-E680 IonicContact NH2-OE1 3.37Å; R386-E680 PolarHBondContact NH2-OE1 3.5Å; R386-E680 IonicContact NH2-OE2 3.57Å; R386-E680 PolarHBondContact NH2-OE2 2.71Å
387	E	82.3	Confident	78.5	Confident	101 Å²	101	75.8 Å²	75.8	47%	0.472	37%	0.368	S	S	.	.	H	α-helix	trans	-63	-32.7	174.5	-68.3	176.1	-154	0	0	112.9	R383 R391	R383-E387 WeakPolarHBondContact O-CG 3.39Å; R383-E387 PolarHBondContact O-N 2.77Å; E387-R391 VanDerWaalsContact O-CB 3.27Å; E387-R391 WeakPolarHBondContact O-CB 3.35Å; E387-R391 VanDerWaalsContact O-CG 3.26Å; E387-R391 WeakPolarHBondContact O-CG 3.46Å; E387-R391 PolarHBondContact O-N 2.73Å; E387-R391 PolarHBondContact O-NE 3.17Å; E387-R391 IonicContact OE2-CZ 3.47Å; E387-R391 IonicContact OE2-NH2 2.72Å; E387-R391 PolarHBondContact OE2-NH2 3.45Å
388	A	82.7	Confident	77.1	Confident	44 Å²	44	76.7 Å²	76.7	36%	0.364	37%	0.374	S	S	.	.	H	α-helix	trans	-73	-39	175.9	0	0	0	0	0	112.1	A384 W385 R386 R391 K392	A384-A388 VanDerWaalsContact O-CB 3.25Å; A384-A388 WeakPolarHBondContact O-CB 3.09Å; A384-A388 PolarHBondContact O-N 3.44Å; W385-A388 CarbonylContact O-C 3.48Å; W385-A388 PolarHBondContact O-N 3.38Å; W385-A388 VanDerWaalsContact O-N 3.15Å; R386-A388 VanDerWaalsContact C-N 3.28Å; R386-A388 PolarHBondContact O-N 3.03Å; A388-R391 PolarHBondContact O-N 3.01Å; A388-K392 VanDerWaalsContact O-CB 3.29Å; A388-K392 WeakPolarHBondContact O-CB 3.44Å; A388-K392 PolarHBondContact O-N 2.96Å
389	E	76.7	Confident	75.8	Confident	43 Å²	43	85.1 Å²	85.1	20%	0.201	40%	0.398	C	S	.	.	H	α-helix	trans	-65.5	-42.5	173.3	-158.6	-164.9	-150.6	0	0	110.1	W385 R386 K392 R393 K917	W385-E389 HydrophobicContact CE3-CB 4.28Å; W385-E389 HydrophobicContact CH2-CB 4.49Å; W385-E389 HydrophobicContact CH2-CG 4.11Å; W385-E389 WeakPolarHBondContact CH2-OE1 3.4Å; W385-E389 HydrophobicContact CZ3-CB 4.15Å; W385-E389 HydrophobicContact CZ3-CG 4.14Å; W385-E389 WeakPolarHBondContact CZ3-OE2 3.19Å; W385-E389 WeakPolarHBondContact O-CB 3.39Å; W385-E389 PolarHBondContact O-N 2.87Å; R386-E389 PolarHBondContact O-N 3.02Å; E389-K392 PolarHBondContact O-N 3.26Å; E389-R393 VanDerWaalsContact CD-NH1 3.28Å; E389-R393 VanDerWaalsContact O-CG 3.32Å; E389-R393 WeakPolarHBondContact O-CG 3.23Å; E389-R393 PolarHBondContact O-N 3.11Å; E389-R393 IonicContact OE1-NH2 3.75Å; E389-R393 PolarHBondContact OE1-NH2 3.47Å; E389-R393 IonicContact OE2-CZ 3.21Å; E389-R393 IonicContact OE2-NH1 2.74Å; E389-R393 PolarHBondContact OE2-NH1 3.15Å; E389-R393 IonicContact OE2-NH2 2.73Å; E389-R393 PolarHBondContact OE2-NH2 3.23Å; E389-K917 WeakPolarHBondContact OE1-CD 3.48Å; E389-K917 IonicContact OE1-NZ 3.07Å; E389-K917 PolarHBondContact OE1-NZ 3.03Å; E389-K917 VanDerWaalsContact OE1-NZ 3.13Å
390	E	73.9	Confident	74.3	Confident	95 Å²	95	91.8 Å²	91.8	44%	0.444	43%	0.429	S	S	.	.	H	α-helix	trans	-61.4	-49.5	171.5	-74.1	171.3	-173.1	0	0	112.1	R386 K392 R393 D394	R386-E390 WeakPolarHBondContact O-CB 3.24Å; R386-E390 WeakPolarHBondContact O-CG 3.18Å; R386-E390 PolarHBondContact O-N 3.42Å; E390-K392 PolarHBondContact O-N 3.17Å; E390-R393 WeakPolarHBondContact O-CB 3.32Å; E390-R393 PolarHBondContact O-N 3.23Å; E390-D394 PolarHBondContact O-N 2.92Å
391	R	76.8	Confident	72.6	Confident	125 Å²	125	92.9 Å²	92.9	47%	0.472	43%	0.428	S	S	.	.	H	α-helix	trans	-60.9	-31.2	174.9	-78.3	179.5	-100.4	112.2	-9.2	112.8	E387 A388 Q395	E387-R391 VanDerWaalsContact O-CB 3.27Å; E387-R391 WeakPolarHBondContact O-CB 3.35Å; E387-R391 VanDerWaalsContact O-CG 3.26Å; E387-R391 WeakPolarHBondContact O-CG 3.46Å; E387-R391 PolarHBondContact O-N 2.73Å; E387-R391 PolarHBondContact O-NE 3.17Å; E387-R391 IonicContact OE2-CZ 3.47Å; E387-R391 IonicContact OE2-NH2 2.72Å; E387-R391 PolarHBondContact OE2-NH2 3.45Å; A388-R391 PolarHBondContact O-N 3.01Å; R391-Q395 VanDerWaalsContact O-CG 3.25Å; R391-Q395 WeakPolarHBondContact O-CG 3.36Å; R391-Q395 PolarHBondContact O-N 3.34Å; R391-Q395 VanDerWaalsContact O-N 3.16Å
392	K	77	Confident	71	Confident	119 Å²	119	93 Å²	93	52%	0.517	43%	0.432	S	S	.	.	H	α-helix	trans	-73.6	-45.1	174.6	-171.6	170.8	-178.6	-72.7	0	111.6	A388 E389 E390 D394 Q395 E396	A388-K392 VanDerWaalsContact O-CB 3.29Å; A388-K392 WeakPolarHBondContact O-CB 3.44Å; A388-K392 PolarHBondContact O-N 2.96Å; E389-K392 PolarHBondContact O-N 3.26Å; E390-K392 PolarHBondContact O-N 3.17Å; K392-D394 VanDerWaalsContact C-N 3.32Å; K392-D394 PolarHBondContact O-N 2.85Å; K392-Q395 PolarHBondContact O-N 3.05Å; K392-E396 IonicContact NZ-OE1 2.78Å; K392-E396 PolarHBondContact NZ-OE1 3.27Å; K392-E396 IonicContact NZ-OE2 3.21Å; K392-E396 WeakPolarHBondContact O-CB 3.33Å; K392-E396 WeakPolarHBondContact O-CG 3.34Å; K392-E396 PolarHBondContact O-N 3.05Å
393	R	65.4	Low	69.7	Low	54 Å²	54	95.2 Å²	95.2	20%	0.204	46%	0.456	C	S	.	.	H	α-helix	trans	-54	-47.7	171.2	-72.8	173.9	179.3	97.6	6	111.2	E389 E390 Q395 E396 K397 E920	E389-R393 VanDerWaalsContact CD-NH1 3.28Å; E389-R393 VanDerWaalsContact O-CG 3.32Å; E389-R393 WeakPolarHBondContact O-CG 3.23Å; E389-R393 PolarHBondContact O-N 3.11Å; E389-R393 IonicContact OE1-NH2 3.75Å; E389-R393 PolarHBondContact OE1-NH2 3.47Å; E389-R393 IonicContact OE2-CZ 3.21Å; E389-R393 IonicContact OE2-NH1 2.74Å; E389-R393 PolarHBondContact OE2-NH1 3.15Å; E389-R393 IonicContact OE2-NH2 2.73Å; E389-R393 PolarHBondContact OE2-NH2 3.23Å; E390-R393 WeakPolarHBondContact O-CB 3.32Å; E390-R393 PolarHBondContact O-N 3.23Å; R393-Q395 VanDerWaalsContact C-N 3.33Å; R393-Q395 PolarHBondContact O-N 3Å; R393-E396 PolarHBondContact O-N 3.39Å; R393-K397 WeakPolarHBondContact O-CB 3.46Å; R393-K397 VanDerWaalsContact O-CG 3.29Å; R393-K397 WeakPolarHBondContact O-CG 3.4Å; R393-K397 PolarHBondContact O-N 3.42Å; R393-E920 IonicContact NE-OE1 3.63Å; R393-E920 PolarHBondContact NE-OE1 2.88Å
394	D	69	Low	68.6	Low	109 Å²	109	92.9 Å²	92.9	58%	0.583	46%	0.455	S	S	*	.	H	α-helix	trans	-66	-34.1	-179.3	-79.7	-9.1	0	0	0	112.6	E390 K392 H398	E390-D394 PolarHBondContact O-N 2.92Å; K392-D394 VanDerWaalsContact C-N 3.32Å; K392-D394 PolarHBondContact O-N 2.85Å; D394-H398 WeakPolarHBondContact O-CB 3.41Å; D394-H398 PolarHBondContact O-N 2.79Å
395	Q	68	Low	67.2	Low	121 Å²	121	98.1 Å²	98.1	57%	0.565	47%	0.47	S	S	*	.	H	α-helix	trans	-70.6	-44.4	172.5	-74.2	172.5	28.7	0	0	112	R391 K392 R393 K397 H398 W399	R391-Q395 VanDerWaalsContact O-CG 3.25Å; R391-Q395 WeakPolarHBondContact O-CG 3.36Å; R391-Q395 PolarHBondContact O-N 3.34Å; R391-Q395 VanDerWaalsContact O-N 3.16Å; K392-Q395 PolarHBondContact O-N 3.05Å; R393-Q395 VanDerWaalsContact C-N 3.33Å; R393-Q395 PolarHBondContact O-N 3Å; Q395-K397 PolarHBondContact O-N 3.41Å; Q395-H398 CarbonylContact O-C 3.57Å; Q395-H398 WeakPolarHBondContact O-CA 3.27Å; Q395-H398 PolarHBondContact O-N 3.34Å; Q395-W399 VanDerWaalsContact O-CD1 3.24Å; Q395-W399 PolarHBondContact O-N 3.34Å; Q395-W399 VanDerWaalsContact O-N 3.11Å
396	E	63.3	Low	66.1	Low	83 Å²	83	100.1 Å²	100.1	39%	0.388	48%	0.484	S	S	.	.	H	α-helix	trans	-59.9	-47.8	178.3	-74.2	169	163.7	0	0	110.7	K392 R393 H398 W399 E400	K392-E396 IonicContact NZ-OE1 2.78Å; K392-E396 PolarHBondContact NZ-OE1 3.27Å; K392-E396 IonicContact NZ-OE2 3.21Å; K392-E396 WeakPolarHBondContact O-CB 3.33Å; K392-E396 WeakPolarHBondContact O-CG 3.34Å; K392-E396 PolarHBondContact O-N 3.05Å; R393-E396 PolarHBondContact O-N 3.39Å; E396-H398 PolarHBondContact O-N 3.34Å; E396-H398 VanDerWaalsContact O-N 3.07Å; E396-W399 PolarHBondContact O-N 3.22Å; E396-E400 WeakPolarHBondContact O-CG 3.45Å; E396-E400 PolarHBondContact O-N 3.28Å
397	K	58.4	Low	65.5	Low	123 Å²	123	95.6 Å²	95.6	54%	0.535	47%	0.467	S	S	.	.	H	α-helix	trans	-57.6	-22.2	172.3	-71.3	-178.6	-175.3	-152.7	0	114.5	R393 Q395 E921	R393-K397 WeakPolarHBondContact O-CB 3.46Å; R393-K397 VanDerWaalsContact O-CG 3.29Å; R393-K397 WeakPolarHBondContact O-CG 3.4Å; R393-K397 PolarHBondContact O-N 3.42Å; Q395-K397 PolarHBondContact O-N 3.41Å; K397-E921 WeakPolarHBondContact CE-OE1 3.2Å; K397-E921 IonicContact NZ-OE1 3.11Å; K397-E921 PolarHBondContact NZ-OE1 3.32Å
398	H	56.2	Low	64.7	Low	162 Å²	162	96 Å²	96	75%	0.75	47%	0.473	S	S	*	.	H	α-helix	trans	-95.2	-11.4	-179.9	-144.5	-51.7	0	0	0	113.7	D394 Q395 E396	D394-H398 WeakPolarHBondContact O-CB 3.41Å; D394-H398 PolarHBondContact O-N 2.79Å; Q395-H398 CarbonylContact O-C 3.57Å; Q395-H398 WeakPolarHBondContact O-CA 3.27Å; Q395-H398 PolarHBondContact O-N 3.34Å; E396-H398 PolarHBondContact O-N 3.34Å; E396-H398 VanDerWaalsContact O-N 3.07Å
399	W	58.6	Low	64	Low	203 Å²	203	100.7 Å²	100.7	77%	0.769	49%	0.49	S	S	*	.	H	α-helix	trans	-116.6	-20.1	180	-74.3	112.2	0	0	0	114.4	Q395 E396 L401	Q395-W399 VanDerWaalsContact O-CD1 3.24Å; Q395-W399 PolarHBondContact O-N 3.34Å; Q395-W399 VanDerWaalsContact O-N 3.11Å; E396-W399 PolarHBondContact O-N 3.22Å; W399-L401 VanDerWaalsContact C-N 3.29Å; W399-L401 PolarHBondContact O-N 3.03Å
400	E	55.1	Low	63.4	Low	144 Å²	144	104.2 Å²	104.2	67%	0.673	51%	0.508	S	S	*	.			trans	-69.8	82.8	172.3	-72.3	-154	139.4	0	0	111.7	E396 G402	E396-E400 WeakPolarHBondContact O-CG 3.45Å; E396-E400 PolarHBondContact O-N 3.28Å; E400-G402 PolarHBondContact O-N 3.44Å
401	L	53.2	Low	62.4	Low	70 Å²	70	102.4 Å²	102.4	37%	0.366	52%	0.515	S	S	.	.			trans	-61.9	-32.7	172.2	-80.8	147.5	0	0	0	112.2	W399 G403 T404 I406 G407 M410	W399-L401 VanDerWaalsContact C-N 3.29Å; W399-L401 PolarHBondContact O-N 3.03Å; L401-G403 PolarHBondContact O-N 3.36Å; L401-T404 WeakPolarHBondContact O-CB 3.44Å; L401-T404 PolarHBondContact O-N 3.08Å; L401-T404 VanDerWaalsContact O-N 3.11Å; L401-T404 PolarHBondContact O-OG1 2.94Å; L401-I406 HydrophobicContact CD2-CB 4.28Å; L401-I406 HydrophobicContact CD2-CG2 3.76Å; L401-G407 WeakPolarHBondContact O-CA 3.35Å; L401-G407 PolarHBondContact O-N 3.38Å; L401-M410 HydrophobicContact CD1-CE 4.01Å; L401-M410 HydrophobicContact CD2-CE 4.34Å
402	G	53	Low	61.5	Low	26 Å²	26	99.4 Å²	99.4	27%	0.268	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	125.8	-175.8	0	0	0	0	0	113.1	E400 T404	E400-G402 PolarHBondContact O-N 3.44Å; G402-T404 VanDerWaalsContact C-N 3.33Å
403	G	60.6	Low	60.3	Low	53 Å²	53	104.9 Å²	104.9	55%	0.546	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	-15.7	-176	0	0	0	0	0	114.9	L401	L401-G403 PolarHBondContact O-N 3.36Å
404	T	61.5	Low	59.5	Low	64 Å²	64	108.4 Å²	108.4	39%	0.393	55%	0.545	S	S	.	.	S	Bend	trans	-71.3	158.5	162.5	74.5	0	0	0	0	110	L401 G402 I406 G407 N408	L401-T404 WeakPolarHBondContact O-CB 3.44Å; L401-T404 PolarHBondContact O-N 3.08Å; L401-T404 VanDerWaalsContact O-N 3.11Å; L401-T404 PolarHBondContact O-OG1 2.94Å; G402-T404 VanDerWaalsContact C-N 3.33Å; T404-I406 PolarHBondContact O-N 2.92Å; T404-I406 PolarHBondContact OG1-N 3.49Å; T404-G407 PolarHBondContact O-N 3.39Å; T404-G407 VanDerWaalsContact O-N 3.08Å; T404-G407 PolarHBondContact OG1-N 3.35Å; T404-N408 PolarHBondContact O-N 3.3Å; T404-N408 PolarHBondContact O-OD1 3.11Å
405	Q	56.3	Low	58.3	Low	163 Å²	163	112.5 Å²	112.5	76%	0.762	56%	0.557	S	S	*	*	H	α-helix	trans	-58.6	-30.8	173.4	-75.7	-167.7	-9.3	0	0	112.5	N408 I409	Q405-N408 PolarHBondContact O-N 2.89Å; Q405-I409 WeakPolarHBondContact O-CB 3.3Å; Q405-I409 WeakPolarHBondContact O-CD1 3.39Å; Q405-I409 WeakPolarHBondContact O-CG1 3.43Å; Q405-I409 PolarHBondContact O-N 3.29Å
406	I	62.6	Low	56.7	Low	106 Å²	106	113.8 Å²	113.8	54%	0.544	57%	0.568	S	S	.	*	H	α-helix	trans	-69.9	-41.5	175.4	-62.5	177.1	0	0	0	110.7	L401 T404 N408 I409 M410	L401-I406 HydrophobicContact CD2-CB 4.28Å; L401-I406 HydrophobicContact CD2-CG2 3.76Å; T404-I406 PolarHBondContact O-N 2.92Å; T404-I406 PolarHBondContact OG1-N 3.49Å; I406-N408 VanDerWaalsContact C-N 3.34Å; I406-N408 PolarHBondContact O-N 3.36Å; I406-I409 PolarHBondContact O-N 2.96Å; I406-M410 HydrophobicContact CG2-CG 4.44Å; I406-M410 WeakPolarHBondContact O-CG 3.48Å; I406-M410 PolarHBondContact O-N 3.22Å
407	G	63.9	Low	55.5	Low	0 Å²	0	114.3 Å²	114.3	0%	0	58%	0.577	C	S	.	*	H	α-helix	trans	-62.9	-39	173.9	0	0	0	0	0	113.1	L401 T404 M410 G411 V412	L401-G407 WeakPolarHBondContact O-CA 3.35Å; L401-G407 PolarHBondContact O-N 3.38Å; T404-G407 PolarHBondContact O-N 3.39Å; T404-G407 VanDerWaalsContact O-N 3.08Å; T404-G407 PolarHBondContact OG1-N 3.35Å; G407-M410 CarbonylContact O-C 3.55Å; G407-M410 PolarHBondContact O-N 3.23Å; G407-G411 PolarHBondContact O-N 2.9Å; G407-V412 PolarHBondContact O-N 3.37Å
408	N	67	Low	54.1	Low	109 Å²	109	115.7 Å²	115.7	58%	0.583	59%	0.588	S	S	*	*	H	α-helix	trans	-65.4	-40.4	174.6	-66.9	-0.9	0	0	0	111.4	T404 Q405 I406 G411	T404-N408 PolarHBondContact O-N 3.3Å; T404-N408 PolarHBondContact O-OD1 3.11Å; Q405-N408 PolarHBondContact O-N 2.89Å; I406-N408 VanDerWaalsContact C-N 3.34Å; I406-N408 PolarHBondContact O-N 3.36Å; N408-G411 PolarHBondContact O-N 3.1Å
409	I	67.1	Low	53	Low	143 Å²	143	112.9 Å²	112.9	73%	0.733	58%	0.579	S	S	*	*	H	α-helix	trans	-67	-34.4	174.3	-70.9	164.5	0	0	0	111.9	Q405 I406 G411	Q405-I409 WeakPolarHBondContact O-CB 3.3Å; Q405-I409 WeakPolarHBondContact O-CD1 3.39Å; Q405-I409 WeakPolarHBondContact O-CG1 3.43Å; Q405-I409 PolarHBondContact O-N 3.29Å; I406-I409 PolarHBondContact O-N 2.96Å; I409-G411 VanDerWaalsContact C-N 3.33Å
410	M	64.8	Low	51.9	Low	116 Å²	116	109.1 Å²	109.1	57%	0.571	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	5.3	175.4	-62.7	-152.4	-46.2	0	0	114.2	L401 I406 G407 V412	L401-M410 HydrophobicContact CD1-CE 4.01Å; L401-M410 HydrophobicContact CD2-CE 4.34Å; I406-M410 HydrophobicContact CG2-CG 4.44Å; I406-M410 WeakPolarHBondContact O-CG 3.48Å; I406-M410 PolarHBondContact O-N 3.22Å; G407-M410 CarbonylContact O-C 3.55Å; G407-M410 PolarHBondContact O-N 3.23Å; M410-V412 VanDerWaalsContact C-N 3.28Å; M410-V412 HydrophobicContact CB-CG2 4.15Å; M410-V412 PolarHBondContact O-N 3.08Å
411	G	53	Low	51.1	Low	57 Å²	57	106.1 Å²	106.1	59%	0.588	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.6	19.6	177	0	0	0	0	0	115.6	G407 N408 I409 R413	G407-G411 PolarHBondContact O-N 2.9Å; N408-G411 PolarHBondContact O-N 3.1Å; I409-G411 VanDerWaalsContact C-N 3.33Å; G411-R413 PolarHBondContact O-N 2.82Å
412	V	56.9	Low	50.2	Low	63 Å²	63	108.7 Å²	108.7	38%	0.382	59%	0.589	S	S	.	*			trans	-74	94.2	-178.4	-175.9	0	0	0	0	109.9	G407 M410	G407-V412 PolarHBondContact O-N 3.37Å; M410-V412 VanDerWaalsContact C-N 3.28Å; M410-V412 HydrophobicContact CB-CG2 4.15Å; M410-V412 PolarHBondContact O-N 3.08Å
413	R	52.9	Low	49.2	Very low	234 Å²	234	112.4 Å²	112.4	88%	0.883	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-63.3	142.8	174	-61.6	-175	-178.8	-167.2	-0.3	110.5	G411	G411-R413 PolarHBondContact O-N 2.82Å
414	K	47.7	Very low	48.1	Very low	128 Å²	128	116.4 Å²	116.4	56%	0.557	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-60.2	149.2	165.5	-81.8	-171.2	169.1	-176.8	0	109.8	E922	K414-E922 IonicContact NZ-OE1 2.61Å; K414-E922 PolarHBondContact NZ-OE1 3.34Å
415	K	43.5	Very low	46.9	Very low	195 Å²	195	122.1 Å²	122.1	85%	0.848	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-84.4	117.8	162.2	-80.8	-175.5	173.6	-179	0	108.5	V417	K415-V417 PolarHBondContact O-N 2.98Å
416	D	36	Very low	45.8	Very low	148 Å²	148	120.5 Å²	120.5	79%	0.791	65%	0.654	S	S	*	*			trans	-71.4	115.8	170	-57.1	-51.9	0	0	0	108.7
417	V	36.4	Very low	44.4	Very low	94 Å²	94	118.5 Å²	118.5	57%	0.57	66%	0.659	S	S	*	*			trans	-93.5	110.4	172.5	-178.1	0	0	0	0	107	K415	K415-V417 PolarHBondContact O-N 2.98Å
418	I	29.9	Very low	43.2	Very low	151 Å²	151	124 Å²	124	77%	0.774	69%	0.689	S	S	*	*			trans	-79.5	115.4	176.2	-59.5	168.5	0	0	0	107.8
419	D	32.9	Very low	41.9	Very low	104 Å²	104	126.2 Å²	126.2	56%	0.556	69%	0.69	S	S	*	*			trans	-77.7	127.3	170.6	-93	-52.8	0	0	0	109.7	S421	D419-S421 PolarHBondContact O-N 3Å
420	P	34.8	Very low	40.9	Very low	124 Å²	124	126.5 Å²	126.5	81%	0.805	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	24.4	-175.8	-21.9	35.1	0	0	0	116.8
421	S	39.3	Very low	39.9	Very low	81 Å²	81	123.9 Å²	123.9	57%	0.566	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	-11.4	-166.2	51	0	0	0	0	116.9	D419 S423	D419-S421 PolarHBondContact O-N 3Å; S421-S423 PolarHBondContact O-N 3.4Å; S421-S423 VanDerWaalsContact O-N 3.17Å
422	D	33.1	Very low	39.4	Very low	123 Å²	123	123.8 Å²	123.8	66%	0.658	67%	0.667	S	S	*	*			trans	-94.3	33.7	-155.1	-69.6	8.8	0	0	0	114.8
423	S	32.3	Very low	39.1	Very low	105 Å²	105	124.8 Å²	124.8	73%	0.734	67%	0.667	S	S	*	*			trans	-125.9	31.7	-170.9	63.8	0	0	0	0	116.1	S421	S421-S423 PolarHBondContact O-N 3.4Å; S421-S423 VanDerWaalsContact O-N 3.17Å
424	V	38.4	Very low	39.1	Very low	136 Å²	136	116.4 Å²	116.4	82%	0.824	64%	0.638	S	S	*	*			trans	-130.5	81.2	176.4	-167.5	0	0	0	0	111.9
425	E	36	Very low	39.5	Very low	185 Å²	185	111 Å²	111	86%	0.864	62%	0.615	S	S	*	*			trans	-87.9	147	175	-67.5	-162.9	126.9	0	0	113.5	G427	E425-G427 PolarHBondContact O-N 2.94Å
426	S	33.9	Very low	40	Very low	129 Å²	129	102.8 Å²	102.8	90%	0.902	58%	0.583	S	S	*	*	S	Bend	trans	58.4	29.8	154.3	-159.1	0	0	0	0	119.7
427	G	33.3	Very low	41	Very low	63 Å²	63	98 Å²	98	65%	0.649	56%	0.558	S	S	*	*			trans	-83.8	158.9	162.2	0	0	0	0	0	113.5	E425 Y429	E425-G427 PolarHBondContact O-N 2.94Å; G427-Y429 PolarHBondContact O-N 3.33Å
428	D	37.3	Very low	41.8	Very low	117 Å²	117	97.9 Å²	97.9	63%	0.626	55%	0.55	S	S	*	*			trans	-64.2	123.5	-177.7	-119.6	-39.9	0	0	0	112.6	K430 T431 S432	D428-K430 PolarHBondContact O-N 3.32Å; D428-K430 VanDerWaalsContact O-N 3.12Å; D428-T431 PolarHBondContact O-N 3.45Å; D428-T431 VanDerWaalsContact O-N 3.14Å; D428-T431 PolarHBondContact O-OG1 3.39Å; D428-S432 PolarHBondContact O-N 2.97Å
429	Y	40.7	Very low	43.1	Very low	155 Å²	155	91.9 Å²	91.9	61%	0.608	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-20.2	-167.9	62.1	-82.8	0	0	0	114.2	G427	G427-Y429 PolarHBondContact O-N 3.33Å
430	K	45	Very low	44	Very low	148 Å²	148	93.5 Å²	93.5	64%	0.643	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-24.9	176.6	-78.3	-168.3	175.6	-174.8	0	113.9	D428 Q434	D428-K430 PolarHBondContact O-N 3.32Å; D428-K430 VanDerWaalsContact O-N 3.12Å; K430-Q434 WeakPolarHBondContact O-CG 3.46Å; K430-Q434 PolarHBondContact O-NE2 2.9Å
431	T	44.9	Very low	44.8	Very low	61 Å²	61	95 Å²	95	37%	0.374	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-43.6	-178.9	52.3	0	0	0	0	111.2	D428 H433 Q434	D428-T431 PolarHBondContact O-N 3.45Å; D428-T431 VanDerWaalsContact O-N 3.14Å; D428-T431 PolarHBondContact O-OG1 3.39Å; T431-H433 PolarHBondContact O-N 3.41Å; T431-Q434 PolarHBondContact O-N 3.01Å
432	S	41.8	Very low	45.3	Very low	56 Å²	56	93.6 Å²	93.6	39%	0.392	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-22.8	-175.9	66.9	0	0	0	0	115.7	D428 H438	D428-S432 PolarHBondContact O-N 2.97Å; S432-H438 PolarHBondContact O-NE2 3.03Å
433	H	50.2	Low	46.2	Very low	83 Å²	83	93.9 Å²	93.9	38%	0.384	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-12	178.9	-78	-68.6	0	0	0	114.7	T431 F435 R968	T431-H433 PolarHBondContact O-N 3.41Å; H433-F435 PolarHBondContact O-N 3.42Å; H433-R968 WeakPolarHBondContact NE2-CD 3.34Å; H433-R968 PolarHBondContact NE2-NH1 3.24Å
434	Q	54.4	Low	47	Very low	58 Å²	58	91 Å²	91	27%	0.271	49%	0.493	S	S	.	.			trans	-71.3	123.3	178.1	-74	172.9	45.5	0	0	110.4	K430 T431 A436 D437	K430-Q434 WeakPolarHBondContact O-CG 3.46Å; K430-Q434 PolarHBondContact O-NE2 2.9Å; T431-Q434 PolarHBondContact O-N 3.01Å; Q434-A436 PolarHBondContact O-N 2.87Å; Q434-A436 VanDerWaalsContact O-N 3.15Å; Q434-D437 PolarHBondContact O-N 3.42Å
435	F	54.8	Low	47.7	Very low	16 Å²	16	85.9 Å²	85.9	7%	0.07	46%	0.462	C	S	.	.	H	α-helix	trans	-60.8	-25.4	177.1	-171.1	-112	0	0	0	112.3	H433 D437 H438 M439 V517 M520 A717 F720	H433-F435 PolarHBondContact O-N 3.42Å; F435-D437 VanDerWaalsContact C-N 3.31Å; F435-D437 PolarHBondContact O-N 2.8Å; F435-H438 PolarHBondContact O-N 3.31Å; F435-M439 HydrophobicContact CD1-CG 4.15Å; F435-M439 HydrophobicContact CD1-SD 3.92Å; F435-M439 HydrophobicContact CE1-CG 3.87Å; F435-M439 HydrophobicContact CE1-SD 3.38Å; F435-M439 WeakPolarHBondContact CE1-SD 3.18Å; F435-M439 HydrophobicContact CZ-CG 4.18Å; F435-M439 HydrophobicContact CZ-SD 4.05Å; F435-M439 PolarHBondContact O-N 2.85Å; F435-V517 HydrophobicContact CE1-CG1 4.44Å; F435-V517 HydrophobicContact CZ-CG1 4.41Å; F435-M520 HydrophobicContact CB-CE 3.51Å; F435-M520 HydrophobicContact CB-SD 4.02Å; F435-M520 HydrophobicContact CD1-CB 4.19Å; F435-M520 HydrophobicContact CD1-SD 4.27Å; F435-M520 HydrophobicContact CG-CE 4.46Å; F435-M520 HydrophobicContact CG-SD 4.39Å; F435-A717 HydrophobicContact CE2-CB 4.46Å; F435-F720 HydrophobicContact CZ-CE2 4.06Å
436	A	54.5	Low	48.6	Very low	21 Å²	21	77.7 Å²	77.7	17%	0.174	43%	0.425	C	S	.	.	H	α-helix	trans	-58.1	-37.7	176.3	0	0	0	0	0	113.7	Q434 L534	Q434-A436 PolarHBondContact O-N 2.87Å; Q434-A436 VanDerWaalsContact O-N 3.15Å; A436-L534 HydrophobicContact CB-CD2 4.13Å
437	D	56.4	Low	49.7	Very low	49 Å²	49	76.5 Å²	76.5	26%	0.262	41%	0.408	S	S	.	.	H	α-helix	trans	-71	-46	178.8	-84.3	-16	0	0	0	111.4	Q434 F435 M439 K440	Q434-D437 PolarHBondContact O-N 3.42Å; F435-D437 VanDerWaalsContact C-N 3.31Å; F435-D437 PolarHBondContact O-N 2.8Å; D437-M439 PolarHBondContact O-N 3.35Å; D437-M439 VanDerWaalsContact O-N 3.14Å; D437-K440 WeakPolarHBondContact O-CB 3.2Å; D437-K440 WeakPolarHBondContact O-CG 3.41Å; D437-K440 PolarHBondContact O-N 2.93Å; D437-K440 WeakPolarHBondContact OD1-CE 3.5Å; D437-K440 IonicContact OD1-NZ 2.7Å; D437-K440 PolarHBondContact OD1-NZ 2.82Å
438	H	54.2	Low	51.1	Low	91 Å²	91	76.1 Å²	76.1	42%	0.421	39%	0.389	S	S	.	.	H	α-helix	trans	-65.9	-14.7	178.8	-67	-88.1	0	0	0	113.8	S432 F435	S432-H438 PolarHBondContact O-NE2 3.03Å; F435-H438 PolarHBondContact O-N 3.31Å
439	M	57.6	Low	52.1	Low	25 Å²	25	71.1 Å²	71.1	12%	0.123	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	3.4	172.9	-70	-158.3	83.7	0	0	114.4	F435 D437 D441 S442 K524 F720	F435-M439 HydrophobicContact CD1-CG 4.15Å; F435-M439 HydrophobicContact CD1-SD 3.92Å; F435-M439 HydrophobicContact CE1-CG 3.87Å; F435-M439 HydrophobicContact CE1-SD 3.38Å; F435-M439 WeakPolarHBondContact CE1-SD 3.18Å; F435-M439 HydrophobicContact CZ-CG 4.18Å; F435-M439 HydrophobicContact CZ-SD 4.05Å; F435-M439 PolarHBondContact O-N 2.85Å; D437-M439 PolarHBondContact O-N 3.35Å; D437-M439 VanDerWaalsContact O-N 3.14Å; M439-D441 PolarHBondContact O-N 2.91Å; M439-S442 PolarHBondContact O-OG 3.1Å; M439-S442 VanDerWaalsContact O-OG 3.14Å; M439-K524 VanDerWaalsContact C-NZ 3.32Å; M439-K524 HydrophobicContact CB-CD 4.01Å; M439-K524 PolarHBondContact O-NZ 3.41Å; M439-K524 HydrophobicContact SD-CD 4.39Å; M439-F720 HydrophobicContact CE-CD2 4.39Å; M439-F720 HydrophobicContact CE-CG 4.37Å
440	K	52.2	Low	53	Low	138 Å²	138	68.6 Å²	68.6	60%	0.6	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-39.5	-172.8	-82.5	173.6	170	167.9	0	114.1	D437 S442	D437-K440 WeakPolarHBondContact O-CB 3.2Å; D437-K440 WeakPolarHBondContact O-CG 3.41Å; D437-K440 PolarHBondContact O-N 2.93Å; D437-K440 WeakPolarHBondContact OD1-CE 3.5Å; D437-K440 IonicContact OD1-NZ 2.7Å; D437-K440 PolarHBondContact OD1-NZ 2.82Å; K440-S442 PolarHBondContact O-N 2.74Å
441	D	49.8	Very low	53.8	Low	154 Å²	154	68.8 Å²	68.8	82%	0.824	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	33.2	-171.6	-52.4	-38.2	0	0	0	114.2	M439 E443	M439-D441 PolarHBondContact O-N 2.91Å; D441-E443 PolarHBondContact O-N 2.89Å; D441-E443 VanDerWaalsContact O-N 3.12Å
442	S	50.5	Low	54.7	Low	53 Å²	53	68 Å²	68	37%	0.371	35%	0.349	S	S	.	.			trans	-84.1	83.5	-175.5	-59.2	0	0	0	0	112.7	M439 K440 A444	M439-S442 PolarHBondContact O-OG 3.1Å; M439-S442 VanDerWaalsContact O-OG 3.14Å; K440-S442 PolarHBondContact O-N 2.74Å; S442-A444 PolarHBondContact O-N 2.67Å
443	E	51.2	Low	56.4	Low	129 Å²	129	68 Å²	68	60%	0.603	35%	0.348	S	S	*	.			trans	-56.6	134.7	166.6	-89.3	-156.7	-167	0	0	111.7	D441 V445 K450	D441-E443 PolarHBondContact O-N 2.89Å; D441-E443 VanDerWaalsContact O-N 3.12Å; E443-V445 PolarHBondContact O-N 2.82Å; E443-K450 IonicContact OE2-NZ 3.19Å; E443-K450 PolarHBondContact OE2-NZ 3.38Å
444	A	50.7	Low	57.6	Low	45 Å²	45	67.3 Å²	67.3	37%	0.372	35%	0.347	S	S	.	.			trans	-61.3	123.3	178.1	0	0	0	0	0	111.7	S442 A449 K450	S442-A444 PolarHBondContact O-N 2.67Å; A444-A449 HydrophobicContact CB-CB 3.84Å; A444-K450 WeakPolarHBondContact O-CE 3.38Å; A444-K450 WeakPolarHBondContact O-CG 3.46Å
445	V	52.2	Low	58.7	Low	27 Å²	27	73.7 Å²	73.7	16%	0.164	37%	0.369	C	S	.	.			trans	-78.8	-36.1	-167.9	178.2	0	0	0	0	112.8	E443 F720 R722 D744	E443-V445 PolarHBondContact O-N 2.82Å; V445-F720 WeakPolarHBondContact CG2-O 3.13Å; V445-R722 HydrophobicContact CG1-CG 4.4Å; V445-R722 HydrophobicContact CG2-CB 4.25Å; V445-D744 HydrophobicContact CB-CB 3.91Å
446	S	55.3	Low	60.1	Low	13 Å²	13	76.5 Å²	76.5	9%	0.091	38%	0.382	C	S	.	.	S	Bend	trans	-87.3	143.6	-172.7	69.7	0	0	0	0	113.9	F448 A449 K450	S446-F448 PolarHBondContact O-N 3.06Å; S446-A449 PolarHBondContact O-N 3.28Å; S446-A449 WeakPolarHBondContact OG-CB 3.45Å; S446-A449 PolarHBondContact OG-N 3.39Å; S446-K450 PolarHBondContact O-N 2.65Å
447	D	56.7	Low	61.1	Low	104 Å²	104	76.5 Å²	76.5	56%	0.556	38%	0.378	S	S	*	.	H	α-helix	trans	-53.5	-35.6	172.5	-114.3	38.4	0	0	0	112.7	K450 K451	D447-K450 PolarHBondContact O-N 2.89Å; D447-K451 VanDerWaalsContact O-CB 3.28Å; D447-K451 WeakPolarHBondContact O-CB 3.49Å; D447-K451 WeakPolarHBondContact O-CD 3.47Å; D447-K451 WeakPolarHBondContact O-CG 3.48Å; D447-K451 PolarHBondContact O-N 2.95Å; D447-K451 WeakPolarHBondContact OD2-CE 3.38Å; D447-K451 IonicContact OD2-NZ 2.72Å; D447-K451 PolarHBondContact OD2-NZ 3.09Å
448	F	62.2	Low	62.4	Low	55 Å²	55	76.1 Å²	76.1	24%	0.241	37%	0.373	C	S	.	.	H	α-helix	trans	-62.6	-44	174.8	-179.9	-82	0	0	0	111.9	S446 K452 Q457 Y460 F638	S446-F448 PolarHBondContact O-N 3.06Å; F448-K452 HydrophobicContact CD2-CD 4.48Å; F448-K452 HydrophobicContact CE1-CD 4.42Å; F448-K452 HydrophobicContact CE2-CD 4.22Å; F448-K452 HydrophobicContact CZ-CD 4.18Å; F448-Q457 HydrophobicContact CE1-CG 4.19Å; F448-Y460 HydrophobicContact CE2-CG 4.36Å; F448-Y460 HydrophobicContact CZ-CD2 4.33Å; F448-Y460 AromaticContact CZ-CG 3.99Å; F448-Y460 HydrophobicContact CZ-CG 3.99Å; F448-F638 HydrophobicContact CD2-CZ 4.4Å; F448-F638 HydrophobicContact CE2-CZ 4.45Å
449	A	59.9	Low	63.8	Low	12 Å²	12	76.1 Å²	76.1	10%	0.099	37%	0.373	C	S	.	.	H	α-helix	trans	-76.2	-28.6	179.7	0	0	0	0	0	112.8	A444 S446 Q457	A444-A449 HydrophobicContact CB-CB 3.84Å; S446-A449 PolarHBondContact O-N 3.28Å; S446-A449 WeakPolarHBondContact OG-CB 3.45Å; S446-A449 PolarHBondContact OG-N 3.39Å; A449-Q457 PolarHBondContact O-NE2 2.82Å; A449-Q457 VanDerWaalsContact O-NE2 3.12Å
450	K	59.3	Low	65.1	Low	103 Å²	103	81.6 Å²	81.6	45%	0.448	39%	0.394	S	S	.	.	H	α-helix	trans	-74.6	-31.5	173.3	-68.2	-159.3	172.7	-149.4	0	113.6	E443 A444 S446 D447	E443-K450 IonicContact OE2-NZ 3.19Å; E443-K450 PolarHBondContact OE2-NZ 3.38Å; A444-K450 WeakPolarHBondContact O-CE 3.38Å; A444-K450 WeakPolarHBondContact O-CG 3.46Å; S446-K450 PolarHBondContact O-N 2.65Å; D447-K450 PolarHBondContact O-N 2.89Å
451	K	60.9	Low	66.6	Low	151 Å²	151	76.6 Å²	76.6	66%	0.657	37%	0.373	S	S	*	.	S	Bend	trans	-87.7	-8.6	-175	-72.6	168.3	178.9	169.1	0	115.3	D447	D447-K451 VanDerWaalsContact O-CB 3.28Å; D447-K451 WeakPolarHBondContact O-CB 3.49Å; D447-K451 WeakPolarHBondContact O-CD 3.47Å; D447-K451 WeakPolarHBondContact O-CG 3.48Å; D447-K451 PolarHBondContact O-N 2.95Å; D447-K451 WeakPolarHBondContact OD2-CE 3.38Å; D447-K451 IonicContact OD2-NZ 2.72Å; D447-K451 PolarHBondContact OD2-NZ 3.09Å
452	K	64.5	Low	68.2	Low	46 Å²	46	70.4 Å²	70.4	20%	0.2	34%	0.341	C	S	.	.	S	Bend	trans	-135.9	138.4	-170.8	-68.5	179.4	178.9	173.8	0	112.1	F448 E456 Q457 Y460	F448-K452 HydrophobicContact CD2-CD 4.48Å; F448-K452 HydrophobicContact CE1-CD 4.42Å; F448-K452 HydrophobicContact CE2-CD 4.22Å; F448-K452 HydrophobicContact CZ-CD 4.18Å; K452-E456 WeakPolarHBondContact CA-OE2 3.25Å; K452-E456 HydrophobicContact CB-CB 4.04Å; K452-E456 WeakPolarHBondContact CB-OE2 3.35Å; K452-Q457 HydrophobicContact CB-CG 4.19Å; K452-Q457 PolarHBondContact O-NE2 2.7Å; K452-Y460 HydrophobicContact CD-CD2 3.84Å; K452-Y460 HydrophobicContact CD-CE2 3.71Å; K452-Y460 VanDerWaalsContact CE-CE2 3.42Å
453	S	76.8	Confident	70.1	Confident	55 Å²	55	67.9 Å²	67.9	39%	0.385	32%	0.324	S	S	.	.			trans	-61	155.7	174.4	71.1	0	0	0	0	111.9	R455 E456 Q457	S453-R455 PolarHBondContact O-N 2.74Å; S453-R455 VanDerWaalsContact O-N 3.13Å; S453-E456 WeakPolarHBondContact CB-OE1 3.4Å; S453-E456 PolarHBondContact N-OE1 3.49Å; S453-E456 PolarHBondContact N-OE2 2.76Å; S453-E456 WeakPolarHBondContact O-CB 3.48Å; S453-E456 PolarHBondContact O-N 2.92Å; S453-E456 VanDerWaalsContact OG-CD 3.22Å; S453-E456 WeakPolarHBondContact OG-CG 3.25Å; S453-E456 PolarHBondContact OG-N 2.91Å; S453-E456 PolarHBondContact OG-OE1 2.61Å; S453-Q457 WeakPolarHBondContact O-CG 3.29Å; S453-Q457 PolarHBondContact O-N 2.81Å
454	L	75.3	Confident	71.9	Confident	69 Å²	69	65.6 Å²	65.6	36%	0.361	31%	0.312	S	S	.	.	H	α-helix	trans	-54.4	-34	175.8	-71.4	172.9	0	0	0	112.1	Q457 R458	L454-Q457 PolarHBondContact O-N 3.17Å; L454-R458 WeakPolarHBondContact O-CG 3.44Å; L454-R458 PolarHBondContact O-N 3.24Å
455	R	79	Confident	73.8	Confident	191 Å²	191	67.7 Å²	67.7	72%	0.721	33%	0.33	S	S	*	.	H	α-helix	trans	-66.7	-42.7	175.9	-173	177.6	-178.9	179.3	1.2	112.5	S453 R458 Q459	S453-R455 PolarHBondContact O-N 2.74Å; S453-R455 VanDerWaalsContact O-N 3.13Å; R455-R458 PolarHBondContact O-N 2.88Å; R455-Q459 WeakPolarHBondContact O-CG 3.48Å; R455-Q459 PolarHBondContact O-N 3.05Å
456	E	82.2	Confident	75.6	Confident	75 Å²	75	67.1 Å²	67.1	35%	0.35	33%	0.326	S	S	.	.	H	α-helix	trans	-65.2	-44.1	172.3	-72	148.9	-118.1	0	0	111.1	K452 S453 R458 Q459 Y460	K452-E456 WeakPolarHBondContact CA-OE2 3.25Å; K452-E456 HydrophobicContact CB-CB 4.04Å; K452-E456 WeakPolarHBondContact CB-OE2 3.35Å; S453-E456 WeakPolarHBondContact CB-OE1 3.4Å; S453-E456 PolarHBondContact N-OE1 3.49Å; S453-E456 PolarHBondContact N-OE2 2.76Å; S453-E456 WeakPolarHBondContact O-CB 3.48Å; S453-E456 PolarHBondContact O-N 2.92Å; S453-E456 VanDerWaalsContact OG-CD 3.22Å; S453-E456 WeakPolarHBondContact OG-CG 3.25Å; S453-E456 PolarHBondContact OG-N 2.91Å; S453-E456 PolarHBondContact OG-OE1 2.61Å; E456-R458 VanDerWaalsContact C-N 3.26Å; E456-R458 PolarHBondContact O-N 3Å; E456-Q459 WeakPolarHBondContact O-CA 3.42Å; E456-Q459 WeakPolarHBondContact O-CB 3.44Å; E456-Q459 PolarHBondContact O-N 3.15Å; E456-Y460 VanDerWaalsContact O-CD2 3.3Å; E456-Y460 WeakPolarHBondContact O-CD2 3.21Å; E456-Y460 PolarHBondContact O-N 3.24Å
457	Q	76.9	Confident	77.4	Confident	21 Å²	21	69.1 Å²	69.1	10%	0.098	33%	0.332	C	S	.	.	H	α-helix	trans	-53.9	-45.3	176.3	-66.5	172.7	29.9	0	0	110.9	F448 A449 K452 S453 L454 Q459 Y460	F448-Q457 HydrophobicContact CE1-CG 4.19Å; A449-Q457 PolarHBondContact O-NE2 2.82Å; A449-Q457 VanDerWaalsContact O-NE2 3.12Å; K452-Q457 HydrophobicContact CB-CG 4.19Å; K452-Q457 PolarHBondContact O-NE2 2.7Å; S453-Q457 WeakPolarHBondContact O-CG 3.29Å; S453-Q457 PolarHBondContact O-N 2.81Å; L454-Q457 PolarHBondContact O-N 3.17Å; Q457-Q459 VanDerWaalsContact C-N 3.32Å; Q457-Q459 PolarHBondContact O-N 2.85Å; Q457-Y460 PolarHBondContact O-N 2.97Å
458	R	82.6	Confident	79.1	Confident	42 Å²	42	72.4 Å²	72.4	16%	0.158	34%	0.344	C	S	.	.	H	α-helix	trans	-59.9	-36.5	173.6	-72	177.9	65.5	-168	-3.6	113.1	L454 R455 E456 L461 E500 E529	L454-R458 WeakPolarHBondContact O-CG 3.44Å; L454-R458 PolarHBondContact O-N 3.24Å; R455-R458 PolarHBondContact O-N 2.88Å; E456-R458 VanDerWaalsContact C-N 3.26Å; E456-R458 PolarHBondContact O-N 3Å; R458-L461 PolarHBondContact O-N 3.24Å; R458-E500 IonicContact CZ-OE1 3.95Å; R458-E500 IonicContact NH2-OE1 3.18Å; R458-E500 PolarHBondContact NH2-OE1 2.97Å; R458-E529 WeakPolarHBondContact CD-OE2 3.22Å; R458-E529 HydrophobicContact CG-CG 4.39Å; R458-E529 WeakPolarHBondContact CG-OE2 3.12Å; R458-E529 IonicContact NE-OE2 3.37Å
459	Q	84.7	Confident	80.6	Confident	90 Å²	90	75.6 Å²	75.6	42%	0.421	36%	0.36	S	S	.	.	H	α-helix	trans	-73	-27.8	178.2	-71.4	174.2	-21.8	0	0	113.9	R455 E456 Q457 L461 F464	R455-Q459 WeakPolarHBondContact O-CG 3.48Å; R455-Q459 PolarHBondContact O-N 3.05Å; E456-Q459 WeakPolarHBondContact O-CA 3.42Å; E456-Q459 WeakPolarHBondContact O-CB 3.44Å; E456-Q459 PolarHBondContact O-N 3.15Å; Q457-Q459 VanDerWaalsContact C-N 3.32Å; Q457-Q459 PolarHBondContact O-N 2.85Å; Q459-L461 VanDerWaalsContact C-N 3.29Å; Q459-L461 PolarHBondContact O-N 2.83Å; Q459-F464 HydrophobicContact CB-CD1 4.26Å; Q459-F464 HydrophobicContact CB-CE1 4.26Å; Q459-F464 HydrophobicContact CG-CD1 4.34Å; Q459-F464 HydrophobicContact CG-CD2 4.45Å; Q459-F464 HydrophobicContact CG-CE1 3.94Å; Q459-F464 HydrophobicContact CG-CE2 4.06Å; Q459-F464 HydrophobicContact CG-CZ 3.81Å
460	Y	83.4	Confident	82.1	Confident	141 Å²	141	75.1 Å²	75.1	55%	0.553	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-6.9	175.3	-84.1	-81	0	0	0	113.9	F448 K452 E456 Q457	F448-Y460 HydrophobicContact CE2-CG 4.36Å; F448-Y460 HydrophobicContact CZ-CD2 4.33Å; F448-Y460 AromaticContact CZ-CG 3.99Å; F448-Y460 HydrophobicContact CZ-CG 3.99Å; K452-Y460 HydrophobicContact CD-CD2 3.84Å; K452-Y460 HydrophobicContact CD-CE2 3.71Å; K452-Y460 VanDerWaalsContact CE-CE2 3.42Å; E456-Y460 VanDerWaalsContact O-CD2 3.3Å; E456-Y460 WeakPolarHBondContact O-CD2 3.21Å; E456-Y460 PolarHBondContact O-N 3.24Å; Q457-Y460 PolarHBondContact O-N 2.97Å
461	L	84.1	Confident	83.8	Confident	32 Å²	32	70.4 Å²	70.4	17%	0.168	34%	0.335	C	S	.	.	S	Bend	trans	-75.5	132.6	177.4	-64.7	172.8	0	0	0	111	R458 Q459 V463 F464 Q493	R458-L461 PolarHBondContact O-N 3.24Å; Q459-L461 VanDerWaalsContact C-N 3.29Å; Q459-L461 PolarHBondContact O-N 2.83Å; L461-V463 HydrophobicContact CB-CG1 4.27Å; L461-V463 PolarHBondContact O-N 2.62Å; L461-F464 VanDerWaalsContact O-CB 3.3Å; L461-F464 WeakPolarHBondContact O-CB 3.44Å; L461-F464 PolarHBondContact O-N 3.01Å; L461-Q493 HydrophobicContact CD1-CG 3.62Å
462	P	84.8	Confident	85.3	Confident	24 Å²	24	68.9 Å²	68.9	16%	0.156	33%	0.328	C	S	.	.	H	α-helix	trans	-49.4	-35.4	178.8	-31.8	35	0	0	0	115.4	F464 A465 I633	P462-F464 PolarHBondContact O-N 3.43Å; P462-A465 PolarHBondContact O-N 2.9Å; P462-I633 HydrophobicContact CB-CG2 4.09Å
463	V	89.5	Confident	86.7	Confident	1 Å²	1	68 Å²	68	1%	0.006	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-24.1	177.6	73.3	0	0	0	0	113.8	L461 V466 R467 L470 S488 Q493 Y497 I633	L461-V463 HydrophobicContact CB-CG1 4.27Å; L461-V463 PolarHBondContact O-N 2.62Å; V463-V466 WeakPolarHBondContact O-CG2 3.39Å; V463-V466 PolarHBondContact O-N 3.02Å; V463-R467 PolarHBondContact O-N 3.26Å; V463-R467 VanDerWaalsContact O-N 3.1Å; V463-L470 HydrophobicContact CG2-CD2 3.8Å; V463-S488 WeakPolarHBondContact CB-O 3.34Å; V463-S488 WeakPolarHBondContact CG1-O 3.25Å; V463-S488 PolarHBondContact N-O 3.28Å; V463-Q493 HydrophobicContact CG1-CB 3.71Å; V463-Q493 HydrophobicContact CG1-CG 3.69Å; V463-Y497 HydrophobicContact CG1-CE2 4.4Å; V463-Y497 HydrophobicContact CG2-CE2 4.26Å; V463-I633 HydrophobicContact CB-CD1 4.22Å; V463-I633 HydrophobicContact CB-CG2 4.41Å; V463-I633 HydrophobicContact CG2-CD1 3.76Å; V463-I633 HydrophobicContact CG2-CG1 4.38Å
464	F	89.7	Confident	87.5	Confident	80 Å²	80	65.5 Å²	65.5	35%	0.351	31%	0.309	S	S	.	.	H	α-helix	trans	-66.4	-42	179	-177.1	-97.6	0	0	0	111.8	Q459 L461 P462 V466 R467 Y497	Q459-F464 HydrophobicContact CB-CD1 4.26Å; Q459-F464 HydrophobicContact CB-CE1 4.26Å; Q459-F464 HydrophobicContact CG-CD1 4.34Å; Q459-F464 HydrophobicContact CG-CD2 4.45Å; Q459-F464 HydrophobicContact CG-CE1 3.94Å; Q459-F464 HydrophobicContact CG-CE2 4.06Å; Q459-F464 HydrophobicContact CG-CZ 3.81Å; L461-F464 VanDerWaalsContact O-CB 3.3Å; L461-F464 WeakPolarHBondContact O-CB 3.44Å; L461-F464 PolarHBondContact O-N 3.01Å; P462-F464 PolarHBondContact O-N 3.43Å; F464-V466 PolarHBondContact O-N 2.78Å; F464-R467 WeakPolarHBondContact O-CB 3.27Å; F464-R467 PolarHBondContact O-N 2.77Å; F464-Y497 WeakPolarHBondContact CA-OH 3.44Å
465	A	89.6	Confident	88.3	Confident	90 Å²	90	68.8 Å²	68.8	74%	0.744	32%	0.317	S	S	*	.	H	α-helix	trans	-62	-27.8	178.8	0	0	0	0	0	113.1	P462	P462-A465 PolarHBondContact O-N 2.9Å
466	V	91.4	Very high	88.9	Confident	15 Å²	15	65.4 Å²	65.4	9%	0.091	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	3.1	-179.4	-66.8	0	0	0	0	114.1	V463 F464 Q468 Q469 L470 F631 I633 P634	V463-V466 WeakPolarHBondContact O-CG2 3.39Å; V463-V466 PolarHBondContact O-N 3.02Å; F464-V466 PolarHBondContact O-N 2.78Å; V466-Q468 PolarHBondContact O-N 3.37Å; V466-Q469 PolarHBondContact O-N 3.06Å; V466-L470 PolarHBondContact O-N 3.32Å; V466-F631 HydrophobicContact CB-CE1 4.06Å; V466-F631 HydrophobicContact CB-CZ 3.97Å; V466-F631 HydrophobicContact CG2-CE1 3.99Å; V466-F631 HydrophobicContact CG2-CZ 4.41Å; V466-I633 HydrophobicContact CG2-CG1 4.18Å; V466-I633 HydrophobicContact CG2-CG2 4.12Å; V466-P634 HydrophobicContact CG1-CG 4.4Å
467	R	92.1	Very high	89.4	Confident	55 Å²	55	64.3 Å²	64.3	21%	0.208	31%	0.306	C	S	.	.	H	α-helix	trans	-45.5	-52.2	-174.6	171.4	-179.8	170.7	160.6	3.9	113.7	V463 F464 Q469 L470 L471 Y497 E500	V463-R467 PolarHBondContact O-N 3.26Å; V463-R467 VanDerWaalsContact O-N 3.1Å; F464-R467 WeakPolarHBondContact O-CB 3.27Å; F464-R467 PolarHBondContact O-N 2.77Å; R467-Q469 VanDerWaalsContact C-N 3.32Å; R467-Q469 PolarHBondContact O-N 3.11Å; R467-L470 PolarHBondContact O-N 2.79Å; R467-L471 HydrophobicContact CG-CD1 3.71Å; R467-L471 HydrophobicContact CG-CG 4.44Å; R467-L471 WeakPolarHBondContact O-CB 3.25Å; R467-L471 WeakPolarHBondContact O-CG 3.48Å; R467-L471 PolarHBondContact O-N 2.93Å; R467-Y497 HydrophobicContact CB-CD2 4.26Å; R467-Y497 HydrophobicContact CB-CE2 3.8Å; R467-Y497 HydrophobicContact CG-CD1 4.45Å; R467-Y497 HydrophobicContact CG-CD2 3.79Å; R467-Y497 HydrophobicContact CG-CE1 4.46Å; R467-Y497 HydrophobicContact CG-CE2 3.76Å; R467-Y497 HydrophobicContact CG-CG 4.17Å; R467-E500 IonicContact CZ-OE2 2.67Å; R467-E500 IonicContact NH1-OE1 3.11Å; R467-E500 IonicContact NH1-OE2 2.8Å; R467-E500 PolarHBondContact NH1-OE2 2.87Å; R467-E500 IonicContact NH2-OE2 2.59Å; R467-E500 PolarHBondContact NH2-OE2 2.81Å
468	Q	92.6	Very high	90.1	Very high	173 Å²	173	65.3 Å²	65.3	81%	0.808	32%	0.315	S	S	*	.	H	α-helix	trans	-66.3	-34.3	-175	-68	-177.5	-9	0	0	112.6	V466 K472	V466-Q468 PolarHBondContact O-N 3.37Å; Q468-K472 WeakPolarHBondContact O-CB 3.25Å; Q468-K472 PolarHBondContact O-N 2.7Å; Q468-K472 VanDerWaalsContact O-N 3.1Å
469	Q	93.1	Very high	90.6	Very high	122 Å²	122	64.1 Å²	64.1	57%	0.57	31%	0.312	S	S	*	.	H	α-helix	trans	-73	-45.6	178.1	-61.4	177.7	-4.1	0	0	110.8	V466 R467 L471 K472 V473 F631	V466-Q469 PolarHBondContact O-N 3.06Å; R467-Q469 VanDerWaalsContact C-N 3.32Å; R467-Q469 PolarHBondContact O-N 3.11Å; Q469-L471 PolarHBondContact O-N 2.9Å; Q469-K472 WeakPolarHBondContact O-CB 3.41Å; Q469-K472 PolarHBondContact O-N 2.92Å; Q469-V473 WeakPolarHBondContact O-CG2 3.45Å; Q469-V473 PolarHBondContact O-N 3.41Å; Q469-V473 VanDerWaalsContact O-N 3.1Å; Q469-F631 HydrophobicContact CB-CE2 3.9Å; Q469-F631 HydrophobicContact CB-CZ 3.91Å
470	L	92.7	Very high	91.1	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-56.7	-49.2	175.3	174	59.3	0	0	0	111.5	V463 V466 R467 K472 V473 I474 V482 L494 F631	V463-L470 HydrophobicContact CG2-CD2 3.8Å; V466-L470 PolarHBondContact O-N 3.32Å; R467-L470 PolarHBondContact O-N 2.79Å; L470-K472 PolarHBondContact O-N 3.29Å; L470-V473 PolarHBondContact O-N 2.93Å; L470-I474 HydrophobicContact CD1-CD1 3.82Å; L470-I474 HydrophobicContact CD1-CG1 4.43Å; L470-I474 HydrophobicContact CG-CD1 3.96Å; L470-I474 WeakPolarHBondContact O-CG1 3.25Å; L470-I474 PolarHBondContact O-N 3.26Å; L470-I474 VanDerWaalsContact O-N 3.08Å; L470-V482 HydrophobicContact CD1-CG1 4.16Å; L470-V482 HydrophobicContact CD1-CG2 3.72Å; L470-L494 HydrophobicContact CD2-CD1 4.2Å; L470-F631 HydrophobicContact CB-CD1 4.25Å; L470-F631 HydrophobicContact CB-CE1 3.89Å; L470-F631 HydrophobicContact CB-CZ 4.14Å; L470-F631 HydrophobicContact CD1-CD1 3.79Å; L470-F631 HydrophobicContact CD1-CE1 4.28Å; L470-F631 HydrophobicContact CD1-CG 4.15Å
471	L	93.1	Very high	91.6	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-64.7	-37.9	178.5	-72.6	173.2	0	0	0	112.6	R467 Q469 V473 I474 R475 E501	R467-L471 HydrophobicContact CG-CD1 3.71Å; R467-L471 HydrophobicContact CG-CG 4.44Å; R467-L471 WeakPolarHBondContact O-CB 3.25Å; R467-L471 WeakPolarHBondContact O-CG 3.48Å; R467-L471 PolarHBondContact O-N 2.93Å; Q469-L471 PolarHBondContact O-N 2.9Å; L471-V473 PolarHBondContact O-N 3.36Å; L471-I474 PolarHBondContact O-N 2.71Å; L471-R475 WeakPolarHBondContact O-CG 3.33Å; L471-R475 PolarHBondContact O-N 2.86Å; L471-E501 HydrophobicContact CD1-CG 3.74Å; L471-E501 HydrophobicContact CD2-CG 3.82Å; L471-E501 HydrophobicContact CG-CG 4.3Å
472	K	94.1	Very high	92	Very high	118 Å²	118	51.8 Å²	51.8	51%	0.513	26%	0.259	S	S	.	.	H	α-helix	trans	-57.4	-50	173	-178.8	-176.7	170.6	-175.7	0	111.5	Q468 Q469 L470 I474 R475 E476	Q468-K472 WeakPolarHBondContact O-CB 3.25Å; Q468-K472 PolarHBondContact O-N 2.7Å; Q468-K472 VanDerWaalsContact O-N 3.1Å; Q469-K472 WeakPolarHBondContact O-CB 3.41Å; Q469-K472 PolarHBondContact O-N 2.92Å; L470-K472 PolarHBondContact O-N 3.29Å; K472-I474 VanDerWaalsContact C-N 3.32Å; K472-I474 PolarHBondContact O-N 2.81Å; K472-R475 PolarHBondContact O-N 3.46Å; K472-E476 WeakPolarHBondContact CE-OE1 3.49Å; K472-E476 WeakPolarHBondContact CE-OE2 3.46Å; K472-E476 IonicContact NZ-OE1 3.46Å; K472-E476 WeakPolarHBondContact O-CG 3.37Å; K472-E476 PolarHBondContact O-N 3.48Å
473	V	93.8	Very high	92.3	Very high	29 Å²	29	51.2 Å²	51.2	18%	0.176	26%	0.255	C	S	.	.	H	α-helix	trans	-60.9	-41.4	179.9	175.8	0	0	0	0	111.4	Q469 L470 L471 E476 N477 T480 P629 F631	Q469-V473 WeakPolarHBondContact O-CG2 3.45Å; Q469-V473 PolarHBondContact O-N 3.41Å; Q469-V473 VanDerWaalsContact O-N 3.1Å; L470-V473 PolarHBondContact O-N 2.93Å; L471-V473 PolarHBondContact O-N 3.36Å; V473-E476 PolarHBondContact O-N 2.7Å; V473-N477 PolarHBondContact O-N 3.32Å; V473-N477 VanDerWaalsContact O-N 3.13Å; V473-N477 PolarHBondContact O-ND2 3.39Å; V473-T480 HydrophobicContact CG1-CG2 3.77Å; V473-P629 HydrophobicContact CG1-CB 4.23Å; V473-P629 HydrophobicContact CG1-CG 4.16Å; V473-F631 HydrophobicContact CG2-CD2 4.08Å
474	I	93.4	Very high	92.1	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-65.4	-39.3	177.3	-67.2	163.7	0	0	0	111.9	L470 L471 K472 E476 T480 L494 L498 R608 I610	L470-I474 HydrophobicContact CD1-CD1 3.82Å; L470-I474 HydrophobicContact CD1-CG1 4.43Å; L470-I474 HydrophobicContact CG-CD1 3.96Å; L470-I474 WeakPolarHBondContact O-CG1 3.25Å; L470-I474 PolarHBondContact O-N 3.26Å; L470-I474 VanDerWaalsContact O-N 3.08Å; L471-I474 PolarHBondContact O-N 2.71Å; K472-I474 VanDerWaalsContact C-N 3.32Å; K472-I474 PolarHBondContact O-N 2.81Å; I474-E476 VanDerWaalsContact C-N 3.33Å; I474-T480 HydrophobicContact CG1-CG2 4.44Å; I474-L494 HydrophobicContact CD1-CD1 3.88Å; I474-L498 HydrophobicContact CG2-CD2 3.98Å; I474-R608 PolarHBondContact O-NH1 2.88Å; I474-I610 HydrophobicContact CD1-CD1 3.84Å; I474-I610 HydrophobicContact CD1-CG1 4.48Å; I474-I610 HydrophobicContact CG1-CD1 4.14Å; I474-I610 HydrophobicContact CG1-CG1 4.36Å; I474-I610 HydrophobicContact CG2-CD1 4.03Å
475	R	91.5	Very high	91.7	Very high	137 Å²	137	50.5 Å²	50.5	52%	0.517	25%	0.254	S	S	.	.	H	α-helix	trans	-64.8	-37.6	174.2	-69.6	179.6	-163.4	164.7	2.7	111.9	L471 K472 E501 R608	L471-R475 WeakPolarHBondContact O-CG 3.33Å; L471-R475 PolarHBondContact O-N 2.86Å; K472-R475 PolarHBondContact O-N 3.46Å; R475-E501 IonicContact CZ-OE1 3.21Å; R475-E501 IonicContact CZ-OE2 3.47Å; R475-E501 IonicContact NE-OE2 2.71Å; R475-E501 PolarHBondContact NE-OE2 2.8Å; R475-E501 IonicContact NH2-OE1 2.72Å; R475-E501 PolarHBondContact NH2-OE1 2.55Å; R475-E501 IonicContact NH2-OE2 3.07Å; R475-E501 PolarHBondContact NH2-OE2 3.11Å; R475-R608 VanDerWaalsContact C-NH1 3.33Å; R475-R608 PolarHBondContact O-NH1 2.99Å; R475-R608 PolarHBondContact O-NH2 3.02Å; R475-R608 VanDerWaalsContact O-NH2 3.14Å
476	E	92	Very high	91.1	Very high	120 Å²	120	46.6 Å²	46.6	56%	0.561	22%	0.22	S	C	*	.	H	α-helix	trans	-76.1	-24.2	-176.2	-73.4	174.4	162.8	0	0	113.9	K472 V473 I474	K472-E476 WeakPolarHBondContact CE-OE1 3.49Å; K472-E476 WeakPolarHBondContact CE-OE2 3.46Å; K472-E476 IonicContact NZ-OE1 3.46Å; K472-E476 WeakPolarHBondContact O-CG 3.37Å; K472-E476 PolarHBondContact O-N 3.48Å; V473-E476 PolarHBondContact O-N 2.7Å; I474-E476 VanDerWaalsContact C-N 3.33Å
477	N	91.8	Very high	90.3	Very high	53 Å²	53	47.1 Å²	47.1	28%	0.283	23%	0.229	S	C	.	.			trans	-129.9	138.9	-170.7	-58.3	-90.9	0	0	0	112.9	V473 V479 R608 P629	V473-N477 PolarHBondContact O-N 3.32Å; V473-N477 VanDerWaalsContact O-N 3.13Å; V473-N477 PolarHBondContact O-ND2 3.39Å; N477-V479 VanDerWaalsContact C-N 3.3Å; N477-V479 WeakPolarHBondContact CB-O 3.17Å; N477-V479 PolarHBondContact O-N 2.91Å; N477-R608 PolarHBondContact O-NH1 2.87Å; N477-P629 HydrophobicContact CB-CG 4.15Å
478	S	91.8	Very high	89.9	Confident	41 Å²	41	44.5 Å²	44.5	29%	0.287	22%	0.219	S	C	.	.	S	Bend	trans	-71.3	-24.9	177.1	-51.5	0	0	0	0	113.1	R605 R608 L609	S478-R605 PolarHBondContact OG-O 3.15Å; S478-R608 WeakPolarHBondContact O-CA 3.3Å; S478-L609 PolarHBondContact O-N 3.33Å
479	V	94.4	Very high	89.4	Confident	17 Å²	17	36.7 Å²	36.7	10%	0.103	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.7	170.7	-165.9	0	0	0	0	108.9	N477 V601 L609 F625 V628	N477-V479 VanDerWaalsContact C-N 3.3Å; N477-V479 WeakPolarHBondContact CB-O 3.17Å; N477-V479 PolarHBondContact O-N 2.91Å; V479-V601 HydrophobicContact CG2-CG1 3.81Å; V479-L609 CarbonylContact C-O 3.52Å; V479-L609 WeakPolarHBondContact CA-O 3.36Å; V479-L609 HydrophobicContact CG1-CB 4.27Å; V479-L609 HydrophobicContact CG1-CD2 4.11Å; V479-L609 HydrophobicContact CG1-CG 4.16Å; V479-L609 HydrophobicContact CG2-CB 4.36Å; V479-L609 HydrophobicContact CG2-CD2 4.44Å; V479-F625 HydrophobicContact CG1-CB 4.25Å; V479-F625 HydrophobicContact CG1-CD1 4.45Å; V479-F625 HydrophobicContact CG1-CD2 4.31Å; V479-F625 HydrophobicContact CG1-CG 4.09Å; V479-V628 HydrophobicContact CB-CG1 3.89Å; V479-V628 HydrophobicContact CB-CG2 3.85Å; V479-V628 HydrophobicContact CG1-CG1 3.92Å; V479-V628 HydrophobicContact CG1-CG2 4.13Å; V479-V628 WeakPolarHBondContact O-CG1 3.43Å
480	T	94.2	Very high	89.1	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	134.8	169.5	-61.7	0	0	0	0	110.6	V473 I474 V482 L609 I610 V611	V473-T480 HydrophobicContact CG1-CG2 3.77Å; I474-T480 HydrophobicContact CG1-CG2 4.44Å; T480-V482 HydrophobicContact CG2-CG2 3.9Å; T480-L609 PolarHBondContact N-O 3.24Å; T480-I610 WeakPolarHBondContact O-CA 3.28Å; T480-V611 PolarHBondContact O-N 3.49Å
481	V	93.9	Very high	88.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	123.9	173.3	-179.5	0	0	0	0	108.6	V483 V611 A618 F621 V628 P629 V630 F631	V481-V483 HydrophobicContact CG1-CG2 4.43Å; V481-V611 WeakPolarHBondContact CA-O 3.5Å; V481-A618 HydrophobicContact CG1-CB 4.23Å; V481-F621 HydrophobicContact CG1-CB 4.1Å; V481-F621 HydrophobicContact CG2-CB 3.94Å; V481-V628 HydrophobicContact CG2-CG1 4.18Å; V481-P629 PolarHBondContact N-O 3.31Å; V481-P629 VanDerWaalsContact N-O 3.1Å; V481-V630 HydrophobicContact CB-CG2 4.24Å; V481-V630 HydrophobicContact CG1-CG2 4.47Å; V481-V630 CarbonylContact O-C 3.54Å; V481-V630 WeakPolarHBondContact O-CA 3.42Å; V481-F631 PolarHBondContact O-N 3.44Å
482	V	92.9	Very high	88.7	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	109.6	-175.5	178.7	0	0	0	0	110.3	L470 T480 I610 V611 T612 S613 F631 I633	L470-V482 HydrophobicContact CD1-CG1 4.16Å; L470-V482 HydrophobicContact CD1-CG2 3.72Å; T480-V482 HydrophobicContact CG2-CG2 3.9Å; V482-I610 HydrophobicContact CB-CG2 4.38Å; V482-I610 HydrophobicContact CG2-CG2 3.67Å; V482-V611 PolarHBondContact N-O 3.44Å; V482-T612 HydrophobicContact CB-CG2 3.67Å; V482-T612 HydrophobicContact CG1-CG2 3.91Å; V482-T612 VanDerWaalsContact O-CA 3.3Å; V482-T612 WeakPolarHBondContact O-CA 3.34Å; V482-S613 PolarHBondContact O-N 3.48Å; V482-F631 WeakPolarHBondContact CA-O 3.45Å; V482-I633 HydrophobicContact CG1-CD1 3.77Å; V482-I633 HydrophobicContact CG1-CG1 4.39Å
483	V	90.5	Very high	88.6	Confident	12 Å²	12	27.9 Å²	27.9	7%	0.073	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	134.6	-179.6	-170.4	0	0	0	0	109	V481 A618 V630 F631 V632 I633	V481-V483 HydrophobicContact CG1-CG2 4.43Å; V483-A618 HydrophobicContact CG2-CB 3.38Å; V483-V630 HydrophobicContact CG2-CG1 3.59Å; V483-F631 PolarHBondContact N-O 3.47Å; V483-V632 HydrophobicContact CB-CG2 4.3Å; V483-I633 PolarHBondContact O-N 2.64Å
484	G	86.2	Confident	88.5	Confident	2 Å²	2	26.7 Å²	26.7	2%	0.021	14%	0.142	C	C	.	.			trans	-173.6	138.1	173.6	0	0	0	0	0	111.6	K490 S613 A614	G484-K490 WeakPolarHBondContact O-CD 3.33Å; G484-K490 PolarHBondContact O-NZ 2.8Å; G484-S613 PolarHBondContact N-O 2.85Å; G484-A614 WeakPolarHBondContact O-CA 3.3Å
485	E	80.2	Confident	88.5	Confident	65 Å²	65	26.7 Å²	26.7	30%	0.304	14%	0.141	S	C	.	.			trans	-63.4	162.5	-170.1	-59.4	-171.7	93.2	0	0	112.8	G487 S488 R636	E485-G487 PolarHBondContact O-N 3.45Å; E485-G487 VanDerWaalsContact O-N 3.16Å; E485-S488 VanDerWaalsContact O-CB 3.3Å; E485-S488 WeakPolarHBondContact O-CB 3.39Å; E485-S488 PolarHBondContact O-N 3.48Å; E485-S488 PolarHBondContact O-OG 3.42Å; E485-R636 HydrophobicContact CB-CG 4.02Å; E485-R636 VanDerWaalsContact CD-NE 3.34Å; E485-R636 HydrophobicContact CG-CG 4.43Å; E485-R636 IonicContact OE1-CZ 2.88Å; E485-R636 IonicContact OE1-NE 2.74Å; E485-R636 PolarHBondContact OE1-NE 3.1Å; E485-R636 IonicContact OE1-NH2 2.75Å; E485-R636 PolarHBondContact OE1-NH2 2.96Å; E485-R636 WeakPolarHBondContact OE2-CG 3.35Å; E485-R636 IonicContact OE2-NE 3.17Å
486	T	77.9	Confident	88.6	Confident	8 Å²	8	20.2 Å²	20.2	5%	0.049	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	117	-178	52.7	0	0	0	0	111.1	A614 G784	T486-A614 HydrophobicContact CG2-CB 3.91Å; T486-G784 WeakPolarHBondContact OG1-CA 3.44Å; T486-G784 PolarHBondContact OG1-O 2.74Å; T486-G784 VanDerWaalsContact OG1-O 3.1Å
487	G	74.7	Confident	88.7	Confident	26 Å²	26	14.5 Å²	14.5	27%	0.268	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.2	-11.6	-175.9	0	0	0	0	0	114.7	E485 G489 T637	E485-G487 PolarHBondContact O-N 3.45Å; E485-G487 VanDerWaalsContact O-N 3.16Å; G487-G489 PolarHBondContact O-N 2.84Å; G487-T637 PolarHBondContact O-OG1 2.9Å
488	S	82.4	Confident	88.8	Confident	0 Å²	0	12 Å²	12	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	-62.7	-12.6	179.7	55.4	0	0	0	0	115.7	V463 E485	V463-S488 WeakPolarHBondContact CB-O 3.34Å; V463-S488 WeakPolarHBondContact CG1-O 3.25Å; V463-S488 PolarHBondContact N-O 3.28Å; E485-S488 VanDerWaalsContact O-CB 3.3Å; E485-S488 WeakPolarHBondContact O-CB 3.39Å; E485-S488 PolarHBondContact O-N 3.48Å; E485-S488 PolarHBondContact O-OG 3.42Å
489	G	82.9	Confident	88.8	Confident	9 Å²	9	14 Å²	14	9%	0.093	8%	0.079	C	C	.	.	S	Bend	trans	104.8	-3.2	174.8	0	0	0	0	0	116.3	G487 T491 T492 Q493	G487-G489 PolarHBondContact O-N 2.84Å; G489-T491 PolarHBondContact O-N 3.23Å; G489-T492 PolarHBondContact O-N 2.99Å; G489-T492 PolarHBondContact O-OG1 2.7Å; G489-Q493 WeakPolarHBondContact O-CB 3.48Å; G489-Q493 WeakPolarHBondContact O-CG 3.24Å; G489-Q493 PolarHBondContact O-N 3.22Å
490	K	87.4	Confident	88.7	Confident	8 Å²	8	17.5 Å²	17.5	4%	0.035	9%	0.094	C	C	.	.	H	α-helix	trans	-41.4	-64	-175.1	-48.5	-168.1	-53.5	-71.1	0	113.5	G484 T492 Q493 L494 E582 T612 S613 I633	G484-K490 WeakPolarHBondContact O-CD 3.33Å; G484-K490 PolarHBondContact O-NZ 2.8Å; K490-T492 VanDerWaalsContact C-N 3.33Å; K490-T492 PolarHBondContact O-N 3.26Å; K490-Q493 PolarHBondContact O-N 2.9Å; K490-L494 WeakPolarHBondContact O-CB 3.41Å; K490-L494 PolarHBondContact O-N 3.14Å; K490-E582 IonicContact NZ-OE1 3.47Å; K490-T612 HydrophobicContact CB-CG2 4.2Å; K490-T612 HydrophobicContact CD-CG2 4.09Å; K490-S613 VanDerWaalsContact CE-O 3.28Å; K490-S613 WeakPolarHBondContact CE-O 3.38Å; K490-I633 HydrophobicContact CD-CD1 4.33Å; K490-I633 HydrophobicContact CG-CD1 3.87Å
491	T	88	Confident	88.5	Confident	27 Å²	27	20.3 Å²	20.3	17%	0.166	11%	0.107	C	C	.	.	H	α-helix	trans	-61.4	-33	-169.4	-51	0	0	0	0	114.5	G489 V522 Y556 D581	G489-T491 PolarHBondContact O-N 3.23Å; T491-V522 HydrophobicContact CG2-CB 4.33Å; T491-V522 HydrophobicContact CG2-CG1 3.69Å; T491-V522 HydrophobicContact CG2-CG2 3.68Å; T491-Y556 PolarHBondContact O-OH 3.16Å; T491-D581 VanDerWaalsContact CB-OD2 3.22Å; T491-D581 WeakPolarHBondContact CB-OD2 3.43Å; T491-D581 WeakPolarHBondContact CG2-OD2 3.34Å; T491-D581 PolarHBondContact OG1-OD2 3.13Å
492	T	88.7	Confident	88.3	Confident	26 Å²	26	22 Å²	22	16%	0.16	12%	0.124	C	C	.	.	H	α-helix	trans	-93.4	-37.8	179.8	56.4	0	0	0	0	112.5	G489 K490 T495 Q496 V522 R525 V526	G489-T492 PolarHBondContact O-N 2.99Å; G489-T492 PolarHBondContact O-OG1 2.7Å; K490-T492 VanDerWaalsContact C-N 3.33Å; K490-T492 PolarHBondContact O-N 3.26Å; T492-T495 PolarHBondContact O-OG1 2.64Å; T492-Q496 WeakPolarHBondContact O-CG 3.37Å; T492-Q496 PolarHBondContact O-NE2 2.67Å; T492-V522 HydrophobicContact CG2-CG1 4.46Å; T492-R525 HydrophobicContact CG2-CG 4.28Å; T492-V526 HydrophobicContact CG2-CG2 4.05Å
493	Q	91.4	Very high	88.1	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-89.7	-29.9	-172.4	-58.2	-48.9	-69.6	0	0	114.1	L461 V463 G489 K490 T495 Q496 Y497 E529	L461-Q493 HydrophobicContact CD1-CG 3.62Å; V463-Q493 HydrophobicContact CG1-CB 3.71Å; V463-Q493 HydrophobicContact CG1-CG 3.69Å; G489-Q493 WeakPolarHBondContact O-CB 3.48Å; G489-Q493 WeakPolarHBondContact O-CG 3.24Å; G489-Q493 PolarHBondContact O-N 3.22Å; K490-Q493 PolarHBondContact O-N 2.9Å; Q493-T495 PolarHBondContact O-N 2.72Å; Q493-Q496 PolarHBondContact O-N 2.95Å; Q493-Y497 HydrophobicContact CB-CD2 4.46Å; Q493-Y497 HydrophobicContact CB-CE1 4.05Å; Q493-Y497 HydrophobicContact CB-CE2 3.94Å; Q493-Y497 WeakPolarHBondContact O-CB 3.1Å; Q493-Y497 WeakPolarHBondContact O-CD1 3.43Å; Q493-Y497 PolarHBondContact O-N 3.24Å; Q493-E529 PolarHBondContact NE2-OE2 3.31Å
494	L	92.9	Very high	87.8	Confident	4 Å²	4	23.3 Å²	23.3	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-63.9	-44.9	-173.9	-178.4	64	0	0	0	112.2	L470 I474 K490 Y497 L498 I579 I610 T612	L470-L494 HydrophobicContact CD2-CD1 4.2Å; I474-L494 HydrophobicContact CD1-CD1 3.88Å; K490-L494 WeakPolarHBondContact O-CB 3.41Å; K490-L494 PolarHBondContact O-N 3.14Å; L494-Y497 PolarHBondContact O-N 2.77Å; L494-L498 WeakPolarHBondContact O-CG 3.25Å; L494-L498 PolarHBondContact O-N 3.43Å; L494-I579 HydrophobicContact CB-CD1 4.29Å; L494-I579 HydrophobicContact CD2-CD1 3.79Å; L494-I579 HydrophobicContact CD2-CG1 3.9Å; L494-I579 HydrophobicContact CD2-CG2 3.85Å; L494-I579 HydrophobicContact CG-CD1 3.74Å; L494-I579 HydrophobicContact CG-CG1 4.29Å; L494-I610 HydrophobicContact CD1-CD1 4.38Å; L494-I610 HydrophobicContact CD2-CB 4.46Å; L494-I610 HydrophobicContact CD2-CG2 3.76Å; L494-T612 HydrophobicContact CD2-CG2 3.73Å
495	T	93.9	Very high	87.7	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-58.8	-47.8	173.1	43.9	0	0	0	0	111.9	T492 Q493 Y497 L498 Y499 I509 C511 I554 Y556 I579	T492-T495 PolarHBondContact O-OG1 2.64Å; Q493-T495 PolarHBondContact O-N 2.72Å; T495-Y497 VanDerWaalsContact C-N 3.34Å; T495-Y497 PolarHBondContact O-N 3.19Å; T495-L498 PolarHBondContact O-N 2.81Å; T495-Y499 WeakPolarHBondContact O-CB 3.39Å; T495-Y499 PolarHBondContact O-N 2.73Å; T495-I509 HydrophobicContact CG2-CG2 4.38Å; T495-C511 HydrophobicContact CG2-CB 3.7Å; T495-I554 HydrophobicContact CG2-CG2 4.01Å; T495-Y556 HydrophobicContact CG2-CE1 4.23Å; T495-Y556 HydrophobicContact CG2-CE2 4.44Å; T495-Y556 WeakPolarHBondContact CG2-OH 3.35Å; T495-Y556 PolarHBondContact OG1-OH 2.75Å; T495-I579 HydrophobicContact CG2-CD1 3.56Å
496	Q	92.7	Very high	88	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.009	19%	0.189	C	C	.	.	H	α-helix	trans	-61.2	-41.6	177.5	-67.5	-178.6	73	0	0	111.4	T492 Q493 Y499 E500 V526 E529 V530	T492-Q496 WeakPolarHBondContact O-CG 3.37Å; T492-Q496 PolarHBondContact O-NE2 2.67Å; Q493-Q496 PolarHBondContact O-N 2.95Å; Q496-Y499 PolarHBondContact O-N 3.39Å; Q496-E500 WeakPolarHBondContact O-CB 3.43Å; Q496-E500 VanDerWaalsContact O-CG 3.25Å; Q496-E500 WeakPolarHBondContact O-CG 3.39Å; Q496-E500 PolarHBondContact O-N 3.06Å; Q496-V526 HydrophobicContact CG-CG1 3.81Å; Q496-E529 PolarHBondContact NE2-OE2 3.46Å; Q496-V530 HydrophobicContact CG-CG2 4.14Å
497	Y	93.8	Very high	88.5	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67.5	-35.5	178.2	-65.2	-9.2	0	0	0	112.8	V463 F464 R467 Q493 L494 T495 E501	V463-Y497 HydrophobicContact CG1-CE2 4.4Å; V463-Y497 HydrophobicContact CG2-CE2 4.26Å; F464-Y497 WeakPolarHBondContact CA-OH 3.44Å; R467-Y497 HydrophobicContact CB-CD2 4.26Å; R467-Y497 HydrophobicContact CB-CE2 3.8Å; R467-Y497 HydrophobicContact CG-CD1 4.45Å; R467-Y497 HydrophobicContact CG-CD2 3.79Å; R467-Y497 HydrophobicContact CG-CE1 4.46Å; R467-Y497 HydrophobicContact CG-CE2 3.76Å; R467-Y497 HydrophobicContact CG-CG 4.17Å; Q493-Y497 HydrophobicContact CB-CD2 4.46Å; Q493-Y497 HydrophobicContact CB-CE1 4.05Å; Q493-Y497 HydrophobicContact CB-CE2 3.94Å; Q493-Y497 WeakPolarHBondContact O-CB 3.1Å; Q493-Y497 WeakPolarHBondContact O-CD1 3.43Å; Q493-Y497 PolarHBondContact O-N 3.24Å; L494-Y497 PolarHBondContact O-N 2.77Å; T495-Y497 VanDerWaalsContact C-N 3.34Å; T495-Y497 PolarHBondContact O-N 3.19Å; Y497-E501 WeakPolarHBondContact O-CB 3.25Å; Y497-E501 WeakPolarHBondContact O-CG 3.34Å; Y497-E501 PolarHBondContact O-N 3.06Å; Y497-E501 VanDerWaalsContact O-N 3.14Å
498	L	93.4	Very high	89.4	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-68.2	-37.6	172.3	-66	173.9	0	0	0	112.3	I474 L494 T495 E501 G502 Y503 I509 A577 I579 I610	I474-L498 HydrophobicContact CG2-CD2 3.98Å; L494-L498 WeakPolarHBondContact O-CG 3.25Å; L494-L498 PolarHBondContact O-N 3.43Å; T495-L498 PolarHBondContact O-N 2.81Å; L498-E501 PolarHBondContact O-N 3.16Å; L498-G502 PolarHBondContact O-N 2.86Å; L498-Y503 HydrophobicContact CB-CD2 4.24Å; L498-Y503 HydrophobicContact CD2-CD2 3.84Å; L498-Y503 HydrophobicContact CD2-CE2 3.96Å; L498-Y503 HydrophobicContact CD2-CG 4.45Å; L498-Y503 WeakPolarHBondContact O-CB 3.37Å; L498-Y503 PolarHBondContact O-N 3.01Å; L498-Y503 VanDerWaalsContact O-N 3.16Å; L498-I509 HydrophobicContact CB-CD1 3.85Å; L498-I509 HydrophobicContact CB-CG1 4.49Å; L498-I509 HydrophobicContact CB-CG2 4.49Å; L498-I509 HydrophobicContact CD1-CG2 4.04Å; L498-A577 HydrophobicContact CD1-CB 4.01Å; L498-I579 HydrophobicContact CD1-CD1 3.86Å; L498-I579 HydrophobicContact CD1-CG1 4.17Å; L498-I610 HydrophobicContact CD1-CD1 3.79Å; L498-I610 HydrophobicContact CD2-CD1 4.11Å; L498-I610 HydrophobicContact CG-CD1 4.45Å
499	Y	92.9	Very high	90.1	Very high	84 Å²	84	32.2 Å²	32.2	33%	0.329	19%	0.194	S	C	.	.	H	α-helix	trans	-66.1	-48	175.6	176.9	-100.2	0	0	0	111.6	T495 Q496 E501 G502 V553 I554	T495-Y499 WeakPolarHBondContact O-CB 3.39Å; T495-Y499 PolarHBondContact O-N 2.73Å; Q496-Y499 PolarHBondContact O-N 3.39Å; Y499-E501 PolarHBondContact O-N 3.48Å; Y499-G502 PolarHBondContact O-N 3.38Å; Y499-V553 HydrophobicContact CD2-CB 4.2Å; Y499-V553 HydrophobicContact CD2-CG1 3.69Å; Y499-V553 HydrophobicContact CE2-CB 4.02Å; Y499-V553 HydrophobicContact CE2-CG1 3.81Å; Y499-V553 HydrophobicContact CE2-CG2 4.35Å; Y499-I554 HydrophobicContact CD2-CD1 4.48Å; Y499-I554 HydrophobicContact CD2-CG1 4.42Å; Y499-I554 HydrophobicContact CG-CD1 4.14Å
500	E	91.5	Very high	90.7	Very high	89 Å²	89	31.8 Å²	31.8	42%	0.416	19%	0.19	S	C	.	.	H	α-helix	trans	-61.2	-20.7	174.5	-71	177.2	-134.9	0	0	113.1	R458 R467 Q496	R458-E500 IonicContact CZ-OE1 3.95Å; R458-E500 IonicContact NH2-OE1 3.18Å; R458-E500 PolarHBondContact NH2-OE1 2.97Å; R467-E500 IonicContact CZ-OE2 2.67Å; R467-E500 IonicContact NH1-OE1 3.11Å; R467-E500 IonicContact NH1-OE2 2.8Å; R467-E500 PolarHBondContact NH1-OE2 2.87Å; R467-E500 IonicContact NH2-OE2 2.59Å; R467-E500 PolarHBondContact NH2-OE2 2.81Å; Q496-E500 WeakPolarHBondContact O-CB 3.43Å; Q496-E500 VanDerWaalsContact O-CG 3.25Å; Q496-E500 WeakPolarHBondContact O-CG 3.39Å; Q496-E500 PolarHBondContact O-N 3.06Å
501	E	90.4	Very high	91.1	Very high	62 Å²	62	31.4 Å²	31.4	29%	0.29	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-2.8	175	-74.6	-89.2	136	0	0	114.1	L471 R475 Y497 L498 Y499 Y503	L471-E501 HydrophobicContact CD1-CG 3.74Å; L471-E501 HydrophobicContact CD2-CG 3.82Å; L471-E501 HydrophobicContact CG-CG 4.3Å; R475-E501 IonicContact CZ-OE1 3.21Å; R475-E501 IonicContact CZ-OE2 3.47Å; R475-E501 IonicContact NE-OE2 2.71Å; R475-E501 PolarHBondContact NE-OE2 2.8Å; R475-E501 IonicContact NH2-OE1 2.72Å; R475-E501 PolarHBondContact NH2-OE1 2.55Å; R475-E501 IonicContact NH2-OE2 3.07Å; R475-E501 PolarHBondContact NH2-OE2 3.11Å; Y497-E501 WeakPolarHBondContact O-CB 3.25Å; Y497-E501 WeakPolarHBondContact O-CG 3.34Å; Y497-E501 PolarHBondContact O-N 3.06Å; Y497-E501 VanDerWaalsContact O-N 3.14Å; L498-E501 PolarHBondContact O-N 3.16Å; Y499-E501 PolarHBondContact O-N 3.48Å; E501-Y503 HydrophobicContact CB-CD2 4.03Å; E501-Y503 HydrophobicContact CB-CE2 4.23Å
502	G	90.1	Very high	91.4	Very high	34 Å²	34	30.1 Å²	30.1	35%	0.351	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	5.7	175.7	0	0	0	0	0	116.1	L498 Y499 G504 A505	L498-G502 PolarHBondContact O-N 2.86Å; Y499-G502 PolarHBondContact O-N 3.38Å; G502-G504 PolarHBondContact O-N 2.9Å; G502-G504 VanDerWaalsContact O-N 3.17Å; G502-A505 WeakPolarHBondContact O-CB 3.03Å; G502-A505 PolarHBondContact O-N 3.24Å
503	Y	88.9	Confident	91.5	Very high	25 Å²	25	28.9 Å²	28.9	10%	0.098	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-58.1	-29.6	172	-75.7	-87	0	0	0	112.1	L498 E501 A505 L506 G507 S576 R608	L498-Y503 HydrophobicContact CB-CD2 4.24Å; L498-Y503 HydrophobicContact CD2-CD2 3.84Å; L498-Y503 HydrophobicContact CD2-CE2 3.96Å; L498-Y503 HydrophobicContact CD2-CG 4.45Å; L498-Y503 WeakPolarHBondContact O-CB 3.37Å; L498-Y503 PolarHBondContact O-N 3.01Å; L498-Y503 VanDerWaalsContact O-N 3.16Å; E501-Y503 HydrophobicContact CB-CD2 4.03Å; E501-Y503 HydrophobicContact CB-CE2 4.23Å; Y503-A505 PolarHBondContact O-N 3.08Å; Y503-L506 PolarHBondContact O-N 2.98Å; Y503-L506 VanDerWaalsContact O-N 3.11Å; Y503-G507 PolarHBondContact O-N 3.47Å; Y503-S576 WeakPolarHBondContact O-CB 3.35Å; Y503-S576 PolarHBondContact O-OG 3.34Å; Y503-R608 HydrophobicContact CD1-CG 4.49Å; Y503-R608 HydrophobicContact CE1-CG 3.66Å
504	G	82.6	Confident	91.3	Very high	18 Å²	18	30.3 Å²	30.3	19%	0.186	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-67.1	-10.9	174.1	0	0	0	0	0	115.8	G502 G507 V553	G502-G504 PolarHBondContact O-N 2.9Å; G502-G504 VanDerWaalsContact O-N 3.17Å; G504-G507 WeakPolarHBondContact CA-O 3.48Å; G504-V553 WeakPolarHBondContact O-CG1 3.4Å
505	A	85.2	Confident	90.9	Very high	92 Å²	92	32 Å²	32	76%	0.76	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-90.7	-10	172.2	0	0	0	0	0	113	G502 Y503	G502-A505 WeakPolarHBondContact O-CB 3.03Å; G502-A505 PolarHBondContact O-N 3.24Å; Y503-A505 PolarHBondContact O-N 3.08Å
506	L	86	Confident	90.5	Very high	141 Å²	141	36.9 Å²	36.9	74%	0.738	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-22.8	178.6	-60.9	174.9	0	0	0	112.8	Y503	Y503-L506 PolarHBondContact O-N 2.98Å; Y503-L506 VanDerWaalsContact O-N 3.11Å
507	G	89.4	Confident	89.9	Confident	21 Å²	21	38.7 Å²	38.7	22%	0.216	22%	0.217	C	C	.	.	S	Bend	trans	165	-178.9	-174.1	0	0	0	0	0	110.8	Y503 G504 S576	Y503-G507 PolarHBondContact O-N 3.47Å; G504-G507 WeakPolarHBondContact CA-O 3.48Å; G507-S576 PolarHBondContact O-OG 3.09Å
508	V	93.7	Very high	89.5	Confident	33 Å²	33	38.8 Å²	38.8	20%	0.2	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	141.6	-179.4	-177.7	0	0	0	0	110.5	K555 N574 Y575 S576	V508-K555 HydrophobicContact CG1-CB 3.69Å; V508-N574 PolarHBondContact N-O 3.09Å; V508-Y575 HydrophobicContact CB-CD1 3.9Å; V508-Y575 HydrophobicContact CB-CE1 3.98Å; V508-Y575 HydrophobicContact CG1-CD1 4.08Å; V508-Y575 HydrophobicContact CG1-CE1 3.77Å; V508-Y575 WeakPolarHBondContact O-CA 3.39Å; V508-Y575 WeakPolarHBondContact O-CD1 3.13Å; V508-S576 PolarHBondContact O-N 3.38Å
509	I	96.1	Very high	89.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	104	168.6	-60.9	163.5	0	0	0	107.4	T495 L498 V553 K555	T495-I509 HydrophobicContact CG2-CG2 4.38Å; L498-I509 HydrophobicContact CB-CD1 3.85Å; L498-I509 HydrophobicContact CB-CG1 4.49Å; L498-I509 HydrophobicContact CB-CG2 4.49Å; L498-I509 HydrophobicContact CD1-CG2 4.04Å; I509-V553 PolarHBondContact N-O 3.37Å; I509-K555 PolarHBondContact O-N 3.33Å
510	G	95.2	Very high	88.8	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	134.8	175.6	0	0	0	0	0	111.3	K555 A577 V578 I579	G510-K555 WeakPolarHBondContact CA-O 3.09Å; G510-A577 PolarHBondContact N-O 3.44Å; G510-V578 CarbonylContact O-C 3.46Å; G510-V578 WeakPolarHBondContact O-CA 3.3Å; G510-I579 PolarHBondContact O-N 3.18Å
511	C	95.8	Very high	88.4	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.007	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	114.2	170.6	-174.6	0	0	0	0	109.9	T495 K555 Y556 M557 I579	T495-C511 HydrophobicContact CG2-CB 3.7Å; C511-K555 PolarHBondContact N-O 3.22Å; C511-Y556 HydrophobicContact CB-CD1 3.71Å; C511-Y556 HydrophobicContact CB-CE1 3.68Å; C511-Y556 HydrophobicContact CB-CG 4.45Å; C511-Y556 CarbonylContact O-C 3.53Å; C511-Y556 WeakPolarHBondContact O-CA 3.49Å; C511-Y556 VanDerWaalsContact SG-CE1 3.53Å; C511-M557 PolarHBondContact O-N 3.03Å; C511-I579 CarbonylContact C-O 3.59Å; C511-I579 WeakPolarHBondContact CA-O 3.18Å; C511-I579 HydrophobicContact CB-CB 4.25Å; C511-I579 HydrophobicContact CB-CD1 4.44Å
512	T	95.1	Very high	88.3	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	150.2	179	91.1	0	0	0	0	111.3	M557 D559 L562 I579 M580 D581	T512-M557 CarbonylContact C-O 3.3Å; T512-M557 VanDerWaalsContact CA-O 3.25Å; T512-M557 WeakPolarHBondContact CA-O 3.49Å; T512-M557 HydrophobicContact CG2-CG 4.34Å; T512-D559 WeakPolarHBondContact CB-OD1 3.43Å; T512-D559 PolarHBondContact OG1-OD1 3.14Å; T512-L562 HydrophobicContact CG2-CB 4.35Å; T512-L562 HydrophobicContact CG2-CD2 3.64Å; T512-I579 PolarHBondContact N-O 3.38Å; T512-M580 HydrophobicContact CG2-CE 4.37Å; T512-M580 HydrophobicContact CG2-SD 3.65Å; T512-D581 WeakPolarHBondContact O-CB 3.32Å; T512-D581 PolarHBondContact O-N 2.9Å
513	Q	91.5	Very high	88.4	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	136	169.6	-68.9	-71.2	-52.2	0	0	108.3	R515 A518 A519 M557 T558 D581 S740	Q513-R515 PolarHBondContact O-N 3.15Å; Q513-R515 VanDerWaalsContact O-N 3.09Å; Q513-A518 HydrophobicContact CB-CB 4.16Å; Q513-A518 HydrophobicContact CG-CB 4.26Å; Q513-A519 HydrophobicContact CB-CB 4.24Å; Q513-A519 HydrophobicContact CG-CB 4.43Å; Q513-M557 PolarHBondContact N-O 3.26Å; Q513-T558 WeakPolarHBondContact O-CA 3.34Å; Q513-D581 PolarHBondContact NE2-OD2 3.36Å; Q513-S740 PolarHBondContact OE1-OG 3.42Å
514	P	87.2	Confident	88.3	Confident	30 Å²	30	28 Å²	28	20%	0.195	16%	0.164	C	C	.	.	S	Bend	trans	-64.1	-17.9	177	23.9	-33.3	0	0	0	113.3	E582 E585	P514-E582 HydrophobicContact CG-CB 4.44Å; P514-E585 HydrophobicContact CB-CB 4.49Å; P514-E585 HydrophobicContact CB-CG 4.41Å; P514-E585 HydrophobicContact CG-CB 4.16Å; P514-E585 HydrophobicContact CG-CG 4.39Å; P514-E585 VanDerWaalsContact CG-OE2 3.3Å; P514-E585 WeakPolarHBondContact CG-OE2 3.38Å
515	R	84.2	Confident	88.4	Confident	39 Å²	39	31.2 Å²	31.2	15%	0.147	17%	0.17	C	C	.	.	S	Bend	trans	-121.1	133.4	-172.4	-62	179.1	-178.1	178.7	1	112.9	Q513 V517 A518 A519 E585 N735 I736 T739	Q513-R515 PolarHBondContact O-N 3.15Å; Q513-R515 VanDerWaalsContact O-N 3.09Å; R515-V517 PolarHBondContact O-N 2.9Å; R515-A518 HydrophobicContact CB-CB 4.01Å; R515-A518 WeakPolarHBondContact O-CB 3.44Å; R515-A518 PolarHBondContact O-N 3.19Å; R515-A519 PolarHBondContact O-N 3.33Å; R515-A519 VanDerWaalsContact O-N 3.15Å; R515-E585 IonicContact CZ-OE1 2.82Å; R515-E585 IonicContact CZ-OE2 2.77Å; R515-E585 IonicContact NE-OE1 3.83Å; R515-E585 PolarHBondContact NE-OE1 2.83Å; R515-E585 IonicContact NE-OE2 2.78Å; R515-E585 PolarHBondContact NE-OE2 2.61Å; R515-E585 VanDerWaalsContact NH2-CD 3.32Å; R515-E585 IonicContact NH2-OE1 3.68Å; R515-E585 PolarHBondContact NH2-OE1 2.93Å; R515-E585 IonicContact NH2-OE2 2.68Å; R515-E585 PolarHBondContact NH2-OE2 3.43Å; R515-N735 PolarHBondContact NH1-O 2.97Å; R515-N735 PolarHBondContact NH2-O 3.27Å; R515-I736 VanDerWaalsContact NH1-C 3.27Å; R515-I736 VanDerWaalsContact NH1-CA 3.28Å; R515-I736 PolarHBondContact NH1-O 2.81Å; R515-T739 PolarHBondContact NE-OG1 3.13Å; R515-T739 PolarHBondContact NH1-OG1 3.26Å; R515-T739 PolarHBondContact NH2-OG1 3.03Å; R515-T739 VanDerWaalsContact NH2-OG1 3.16Å
516	R	84.1	Confident	88.7	Confident	104 Å²	104	26.8 Å²	26.8	39%	0.392	13%	0.134	S	C	.	.	H	α-helix	trans	-53.9	-52.5	176.9	-72.5	-172.9	71	-150.4	-3.9	112.8	A518 A519 M520 I542 R543 E545 T558	R516-A518 PolarHBondContact O-N 2.96Å; R516-A519 PolarHBondContact O-N 2.99Å; R516-M520 WeakPolarHBondContact O-CG 3.43Å; R516-M520 PolarHBondContact O-N 3.04Å; R516-I542 HydrophobicContact CB-CD1 4.22Å; R516-I542 HydrophobicContact CG-CB 4.3Å; R516-I542 HydrophobicContact CG-CD1 4.41Å; R516-R543 PolarHBondContact NE-O 3.18Å; R516-R543 PolarHBondContact NH2-O 3.31Å; R516-E545 IonicContact NH2-OE2 2.74Å; R516-E545 PolarHBondContact NH2-OE2 3.16Å; R516-T558 HydrophobicContact CB-CG2 4.45Å; R516-T558 HydrophobicContact CG-CG2 3.85Å
517	V	80.6	Confident	88.9	Confident	39 Å²	39	20.1 Å²	20.1	24%	0.236	10%	0.099	C	C	.	.	H	α-helix	trans	-58.9	-37	-178.9	-178.1	0	0	0	0	111.4	F435 R515 M520 S521 L741	F435-V517 HydrophobicContact CE1-CG1 4.44Å; F435-V517 HydrophobicContact CZ-CG1 4.41Å; R515-V517 PolarHBondContact O-N 2.9Å; V517-M520 PolarHBondContact O-N 3.27Å; V517-S521 WeakPolarHBondContact O-CB 3.26Å; V517-S521 PolarHBondContact O-N 2.88Å; V517-S521 PolarHBondContact O-OG 3.48Å; V517-S521 VanDerWaalsContact O-OG 3.11Å; V517-L741 HydrophobicContact CG1-CD1 4.15Å
518	A	84.9	Confident	88.8	Confident	3 Å²	3	23 Å²	23	3%	0.025	11%	0.11	C	C	.	.	H	α-helix	trans	-65.6	-48	177.8	0	0	0	0	0	112.5	Q513 R515 R516 M520 S521 V522	Q513-A518 HydrophobicContact CB-CB 4.16Å; Q513-A518 HydrophobicContact CG-CB 4.26Å; R515-A518 HydrophobicContact CB-CB 4.01Å; R515-A518 WeakPolarHBondContact O-CB 3.44Å; R515-A518 PolarHBondContact O-N 3.19Å; R516-A518 PolarHBondContact O-N 2.96Å; A518-M520 VanDerWaalsContact C-N 3.27Å; A518-M520 PolarHBondContact O-N 2.93Å; A518-S521 PolarHBondContact O-N 3.37Å; A518-S521 PolarHBondContact O-OG 3.39Å; A518-V522 VanDerWaalsContact O-CB 3.27Å; A518-V522 WeakPolarHBondContact O-CB 3.44Å; A518-V522 WeakPolarHBondContact O-CG2 3.37Å; A518-V522 PolarHBondContact O-N 2.94Å
519	A	88.3	Confident	88.4	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-55.4	-44.6	176.1	0	0	0	0	0	111.3	Q513 R515 R516 A523 I542	Q513-A519 HydrophobicContact CB-CB 4.24Å; Q513-A519 HydrophobicContact CG-CB 4.43Å; R515-A519 PolarHBondContact O-N 3.33Å; R515-A519 VanDerWaalsContact O-N 3.15Å; R516-A519 PolarHBondContact O-N 2.99Å; A519-A523 WeakPolarHBondContact O-CB 3.45Å; A519-A523 PolarHBondContact O-N 3.33Å; A519-I542 HydrophobicContact CB-CG2 3.82Å
520	M	84.6	Confident	88	Confident	15 Å²	15	24.8 Å²	24.8	7%	0.074	12%	0.119	C	C	.	.	H	α-helix	trans	-66.5	-50.8	178.5	-58.9	173.6	103.1	0	0	112.7	F435 R516 V517 A518 V522 A523 K524 Y540 I542 E545	F435-M520 HydrophobicContact CB-CE 3.51Å; F435-M520 HydrophobicContact CB-SD 4.02Å; F435-M520 HydrophobicContact CD1-CB 4.19Å; F435-M520 HydrophobicContact CD1-SD 4.27Å; F435-M520 HydrophobicContact CG-CE 4.46Å; F435-M520 HydrophobicContact CG-SD 4.39Å; R516-M520 WeakPolarHBondContact O-CG 3.43Å; R516-M520 PolarHBondContact O-N 3.04Å; V517-M520 PolarHBondContact O-N 3.27Å; A518-M520 VanDerWaalsContact C-N 3.27Å; A518-M520 PolarHBondContact O-N 2.93Å; M520-V522 PolarHBondContact O-N 3.11Å; M520-A523 PolarHBondContact O-N 3.01Å; M520-K524 PolarHBondContact O-N 3.35Å; M520-Y540 HydrophobicContact CE-CE2 3.7Å; M520-Y540 WeakPolarHBondContact CE-OH 3.49Å; M520-Y540 HydrophobicContact CG-CD2 3.98Å; M520-Y540 HydrophobicContact CG-CE2 3.73Å; M520-I542 HydrophobicContact CE-CD1 3.8Å; M520-I542 HydrophobicContact CG-CD1 3.66Å; M520-I542 HydrophobicContact SD-CD1 3.5Å; M520-I542 WeakPolarHBondContact SD-CD1 3.31Å; M520-E545 WeakPolarHBondContact CE-OE1 3.34Å; M520-E545 WeakPolarHBondContact CE-OE2 3.33Å
521	S	83.1	Confident	87.5	Confident	9 Å²	9	28.1 Å²	28.1	6%	0.063	15%	0.154	C	C	.	.	H	α-helix	trans	-68.5	-36.3	-175.4	65.6	0	0	0	0	112.4	V517 A518 R525	V517-S521 WeakPolarHBondContact O-CB 3.26Å; V517-S521 PolarHBondContact O-N 2.88Å; V517-S521 PolarHBondContact O-OG 3.48Å; V517-S521 VanDerWaalsContact O-OG 3.11Å; A518-S521 PolarHBondContact O-N 3.37Å; A518-S521 PolarHBondContact O-OG 3.39Å; S521-R525 WeakPolarHBondContact O-CB 3.06Å; S521-R525 PolarHBondContact O-N 3.48Å
522	V	88.2	Confident	87.2	Confident	10 Å²	10	28.9 Å²	28.9	6%	0.061	16%	0.159	C	C	.	.	H	α-helix	trans	-71.2	-44.8	175.6	176.3	0	0	0	0	110.5	T491 T492 A518 M520 K524 R525 V526 Y556	T491-V522 HydrophobicContact CG2-CB 4.33Å; T491-V522 HydrophobicContact CG2-CG1 3.69Å; T491-V522 HydrophobicContact CG2-CG2 3.68Å; T492-V522 HydrophobicContact CG2-CG1 4.46Å; A518-V522 VanDerWaalsContact O-CB 3.27Å; A518-V522 WeakPolarHBondContact O-CB 3.44Å; A518-V522 WeakPolarHBondContact O-CG2 3.37Å; A518-V522 PolarHBondContact O-N 2.94Å; M520-V522 PolarHBondContact O-N 3.11Å; V522-K524 VanDerWaalsContact C-N 3.32Å; V522-K524 PolarHBondContact O-N 3.06Å; V522-R525 PolarHBondContact O-N 3.06Å; V522-V526 HydrophobicContact CG1-CG2 4.31Å; V522-V526 WeakPolarHBondContact O-CB 3.43Å; V522-V526 WeakPolarHBondContact O-CG2 3.43Å; V522-V526 PolarHBondContact O-N 2.96Å; V522-Y556 HydrophobicContact CB-CD1 4.43Å; V522-Y556 HydrophobicContact CB-CE1 4.26Å; V522-Y556 HydrophobicContact CG1-CD1 3.92Å; V522-Y556 HydrophobicContact CG1-CE1 3.3Å; V522-Y556 HydrophobicContact CG1-CE2 4.24Å; V522-Y556 VanDerWaalsContact CG1-CZ 3.49Å
523	A	91.1	Very high	86.8	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.7	-44.5	176.8	0	0	0	0	0	111.6	A519 M520 V526 A527 L534 Y540 Y556	A519-A523 WeakPolarHBondContact O-CB 3.45Å; A519-A523 PolarHBondContact O-N 3.33Å; M520-A523 PolarHBondContact O-N 3.01Å; A523-V526 PolarHBondContact O-N 3.42Å; A523-A527 WeakPolarHBondContact O-CB 3.36Å; A523-A527 PolarHBondContact O-N 3.46Å; A523-L534 HydrophobicContact CB-CD1 3.93Å; A523-Y540 HydrophobicContact CB-CD1 4.04Å; A523-Y540 HydrophobicContact CB-CG 4.32Å; A523-Y556 HydrophobicContact CB-CD2 3.8Å; A523-Y556 HydrophobicContact CB-CG 4.11Å
524	K	86.7	Confident	86.7	Confident	34 Å²	34	35.9 Å²	35.9	15%	0.148	20%	0.201	C	C	.	.	H	α-helix	trans	-59.4	-53.6	173.1	-178.3	168.1	-179	173.8	0	111.4	M439 M520 V522 V526 A527 D528 L534	M439-K524 VanDerWaalsContact C-NZ 3.32Å; M439-K524 HydrophobicContact CB-CD 4.01Å; M439-K524 PolarHBondContact O-NZ 3.41Å; M439-K524 HydrophobicContact SD-CD 4.39Å; M520-K524 PolarHBondContact O-N 3.35Å; V522-K524 VanDerWaalsContact C-N 3.32Å; V522-K524 PolarHBondContact O-N 3.06Å; K524-V526 PolarHBondContact O-N 3.21Å; K524-A527 WeakPolarHBondContact O-CB 3.48Å; K524-A527 PolarHBondContact O-N 3.35Å; K524-A527 VanDerWaalsContact O-N 3.09Å; K524-D528 PolarHBondContact O-N 2.77Å; K524-L534 HydrophobicContact CB-CD2 4.06Å
525	R	85.5	Confident	86.7	Confident	84 Å²	84	35.1 Å²	35.1	32%	0.317	20%	0.199	S	C	.	.	H	α-helix	trans	-58.4	-33.4	-178.8	176.8	59.4	-170	-154.2	3.9	113	T492 S521 V522 E529	T492-R525 HydrophobicContact CG2-CG 4.28Å; S521-R525 WeakPolarHBondContact O-CB 3.06Å; S521-R525 PolarHBondContact O-N 3.48Å; V522-R525 PolarHBondContact O-N 3.06Å; R525-E529 IonicContact CZ-OE1 2.6Å; R525-E529 VanDerWaalsContact CZ-OE1 3.27Å; R525-E529 IonicContact NE-OE1 2.63Å; R525-E529 PolarHBondContact NE-OE1 2.83Å; R525-E529 IonicContact NH2-OE1 2.61Å; R525-E529 PolarHBondContact NH2-OE1 3.28Å; R525-E529 WeakPolarHBondContact O-CB 3.25Å; R525-E529 WeakPolarHBondContact O-CG 3.46Å; R525-E529 PolarHBondContact O-N 3.33Å
526	V	90.5	Very high	86.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-80.6	-32.9	177.3	173.1	0	0	0	0	112.2	T492 Q496 V522 A523 K524 D528 E529 V530 V538 Y556	T492-V526 HydrophobicContact CG2-CG2 4.05Å; Q496-V526 HydrophobicContact CG-CG1 3.81Å; V522-V526 HydrophobicContact CG1-CG2 4.31Å; V522-V526 WeakPolarHBondContact O-CB 3.43Å; V522-V526 WeakPolarHBondContact O-CG2 3.43Å; V522-V526 PolarHBondContact O-N 2.96Å; A523-V526 PolarHBondContact O-N 3.42Å; K524-V526 PolarHBondContact O-N 3.21Å; V526-D528 VanDerWaalsContact C-N 3.34Å; V526-E529 PolarHBondContact O-N 2.98Å; V526-V530 HydrophobicContact CG1-CG2 4.26Å; V526-V530 WeakPolarHBondContact O-CB 3.45Å; V526-V530 VanDerWaalsContact O-CG2 3.25Å; V526-V530 WeakPolarHBondContact O-CG2 3.5Å; V526-V530 PolarHBondContact O-N 2.84Å; V526-V538 HydrophobicContact CB-CG1 4.41Å; V526-V538 HydrophobicContact CG1-CG1 4.24Å; V526-V538 HydrophobicContact CG1-CG2 4.29Å; V526-Y556 HydrophobicContact CB-CE2 4.16Å; V526-Y556 HydrophobicContact CG1-CE2 4.3Å; V526-Y556 HydrophobicContact CG2-CE2 4.34Å
527	A	90.6	Very high	87.3	Confident	1 Å²	1	34 Å²	34	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-60.7	-44.3	167.7	0	0	0	0	0	111.1	A523 K524 E529 V530 G531 C532 L534 V538	A523-A527 WeakPolarHBondContact O-CB 3.36Å; A523-A527 PolarHBondContact O-N 3.46Å; K524-A527 WeakPolarHBondContact O-CB 3.48Å; K524-A527 PolarHBondContact O-N 3.35Å; K524-A527 VanDerWaalsContact O-N 3.09Å; A527-E529 PolarHBondContact O-N 2.99Å; A527-V530 PolarHBondContact O-N 2.98Å; A527-G531 PolarHBondContact O-N 2.79Å; A527-C532 WeakPolarHBondContact CB-O 3.37Å; A527-C532 PolarHBondContact O-N 2.99Å; A527-L534 HydrophobicContact CB-CB 4.34Å; A527-L534 HydrophobicContact CB-CD1 4.08Å; A527-V538 HydrophobicContact CB-CB 4.1Å; A527-V538 HydrophobicContact CB-CG1 4.28Å
528	D	86.9	Confident	88	Confident	81 Å²	81	32.2 Å²	32.2	43%	0.433	19%	0.19	S	C	.	.	H	α-helix	trans	-63.1	-38.8	174.7	-59.3	-31	0	0	0	112.2	K524 V526	K524-D528 PolarHBondContact O-N 2.77Å; V526-D528 VanDerWaalsContact C-N 3.34Å
529	E	87.2	Confident	88.4	Confident	20 Å²	20	32 Å²	32	9%	0.093	19%	0.189	C	C	.	.	H	α-helix	trans	-75.8	-23.7	177.5	-82.7	-177.3	-163.1	0	0	114.8	R458 Q493 Q496 R525 V526 A527	R458-E529 WeakPolarHBondContact CD-OE2 3.22Å; R458-E529 HydrophobicContact CG-CG 4.39Å; R458-E529 WeakPolarHBondContact CG-OE2 3.12Å; R458-E529 IonicContact NE-OE2 3.37Å; Q493-E529 PolarHBondContact NE2-OE2 3.31Å; Q496-E529 PolarHBondContact NE2-OE2 3.46Å; R525-E529 IonicContact CZ-OE1 2.6Å; R525-E529 VanDerWaalsContact CZ-OE1 3.27Å; R525-E529 IonicContact NE-OE1 2.63Å; R525-E529 PolarHBondContact NE-OE1 2.83Å; R525-E529 IonicContact NH2-OE1 2.61Å; R525-E529 PolarHBondContact NH2-OE1 3.28Å; R525-E529 WeakPolarHBondContact O-CB 3.25Å; R525-E529 WeakPolarHBondContact O-CG 3.46Å; R525-E529 PolarHBondContact O-N 3.33Å; V526-E529 PolarHBondContact O-N 2.98Å; A527-E529 PolarHBondContact O-N 2.99Å
530	V	86.5	Confident	88.6	Confident	50 Å²	50	32.1 Å²	32.1	30%	0.303	19%	0.189	S	C	.	.	H	α-helix	trans	-88.2	-24.9	173.6	171.2	0	0	0	0	111.4	Q496 V526 A527 C532 V538	Q496-V530 HydrophobicContact CG-CG2 4.14Å; V526-V530 HydrophobicContact CG1-CG2 4.26Å; V526-V530 WeakPolarHBondContact O-CB 3.45Å; V526-V530 VanDerWaalsContact O-CG2 3.25Å; V526-V530 WeakPolarHBondContact O-CG2 3.5Å; V526-V530 PolarHBondContact O-N 2.84Å; A527-V530 PolarHBondContact O-N 2.98Å; V530-C532 HydrophobicContact CG1-CB 4.35Å; V530-V538 HydrophobicContact CG2-CG2 4.43Å
531	G	85.7	Confident	88.9	Confident	70 Å²	70	31.5 Å²	31.5	72%	0.722	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	30.4	-177.5	0	0	0	0	0	113.6	A527	A527-G531 PolarHBondContact O-N 2.79Å
532	C	87.9	Confident	89.1	Confident	18 Å²	18	31.3 Å²	31.3	12%	0.122	18%	0.184	C	C	.	.			trans	-119.6	152.4	179.8	66.1	0	0	0	0	111.9	A527 V530 Q537	A527-C532 WeakPolarHBondContact CB-O 3.37Å; A527-C532 PolarHBondContact O-N 2.99Å; V530-C532 HydrophobicContact CG1-CB 4.35Å; C532-Q537 HydrophobicContact CB-CB 4.44Å
533	P	88.2	Confident	88.6	Confident	93 Å²	93	35.2 Å²	35.2	60%	0.604	20%	0.198	S	C	*	.			trans	-70.2	138.4	174.2	27.2	-31.3	0	0	0	111	G535 D536	P533-G535 PolarHBondContact O-N 3.27Å; P533-D536 HydrophobicContact CG-CB 3.98Å; P533-D536 WeakPolarHBondContact O-CB 3.1Å; P533-D536 PolarHBondContact O-N 2.8Å; P533-D536 VanDerWaalsContact O-N 3.1Å
534	L	87.6	Confident	87.4	Confident	54 Å²	54	38.3 Å²	38.3	28%	0.283	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	127.2	179.3	-171.5	61	0	0	0	110.8	A436 A523 K524 A527 Y540	A436-L534 HydrophobicContact CB-CD2 4.13Å; A523-L534 HydrophobicContact CB-CD1 3.93Å; K524-L534 HydrophobicContact CB-CD2 4.06Å; A527-L534 HydrophobicContact CB-CB 4.34Å; A527-L534 HydrophobicContact CB-CD1 4.08Å; L534-Y540 HydrophobicContact CD1-CD1 4.16Å; L534-Y540 HydrophobicContact CD2-CD1 4.29Å; L534-Y540 HydrophobicContact CD2-CE1 3.85Å; L534-Y540 HydrophobicContact CG-CD1 4.32Å; L534-Y540 HydrophobicContact CG-CE1 4.18Å
535	G	87.2	Confident	86.7	Confident	14 Å²	14	38.6 Å²	38.6	14%	0.144	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.9	-13.5	-173.9	0	0	0	0	0	114.9	P533 V538 C547 S549 T552	P533-G535 PolarHBondContact O-N 3.27Å; G535-V538 PolarHBondContact N-O 2.92Å; G535-C547 WeakPolarHBondContact CA-O 3.38Å; G535-S549 VanDerWaalsContact O-CB 3.28Å; G535-S549 WeakPolarHBondContact O-CB 3.49Å; G535-S549 PolarHBondContact O-N 3.34Å; G535-S549 PolarHBondContact O-OG 3.14Å; G535-T552 PolarHBondContact O-OG1 3.3Å
536	D	90.5	Very high	86.7	Confident	48 Å²	48	39.3 Å²	39.3	26%	0.257	22%	0.224	S	C	.	.	S	Bend	trans	-85.3	-92.9	177	-145.7	52.3	0	0	0	110.3	P533 S549 K551 T552	P533-D536 HydrophobicContact CG-CB 3.98Å; P533-D536 WeakPolarHBondContact O-CB 3.1Å; P533-D536 PolarHBondContact O-N 2.8Å; P533-D536 VanDerWaalsContact O-N 3.1Å; D536-S549 PolarHBondContact O-OG 2.78Å; D536-K551 CarbonylContact O-C 3.53Å; D536-K551 VanDerWaalsContact O-C 3.24Å; D536-K551 WeakPolarHBondContact OD1-CE 3.4Å; D536-K551 IonicContact OD1-NZ 3.41Å; D536-K551 PolarHBondContact OD1-NZ 3.05Å; D536-K551 WeakPolarHBondContact OD2-CD 3.23Å; D536-K551 IonicContact OD2-NZ 3.43Å; D536-K551 PolarHBondContact OD2-NZ 2.92Å; D536-T552 WeakPolarHBondContact O-CA 3.46Å; D536-T552 PolarHBondContact O-N 2.74Å; D536-T552 VanDerWaalsContact O-N 3.11Å; D536-T552 PolarHBondContact O-OG1 3.01Å
537	Q	91.9	Very high	86.6	Confident	71 Å²	71	40.6 Å²	40.6	33%	0.332	23%	0.233	S	C	.	.	S	Bend	trans	-79.5	-35.8	176.5	-67.4	-177.6	-6	0	0	113.8	C532 V553 I554	C532-Q537 HydrophobicContact CB-CB 4.44Å; Q537-V553 PolarHBondContact O-N 3.3Å; Q537-I554 PolarHBondContact O-N 3.33Å; Q537-I554 VanDerWaalsContact O-N 3.16Å
538	V	94.2	Very high	86.4	Confident	1 Å²	1	43 Å²	43	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122.5	177.6	-179.5	0	0	0	0	107.4	V526 A527 V530 G535 I554 Y556	V526-V538 HydrophobicContact CB-CG1 4.41Å; V526-V538 HydrophobicContact CG1-CG1 4.24Å; V526-V538 HydrophobicContact CG1-CG2 4.29Å; A527-V538 HydrophobicContact CB-CB 4.1Å; A527-V538 HydrophobicContact CB-CG1 4.28Å; V530-V538 HydrophobicContact CG2-CG2 4.43Å; G535-V538 PolarHBondContact N-O 2.92Å; V538-I554 HydrophobicContact CG2-CB 4.3Å; V538-I554 HydrophobicContact CG2-CD1 4.3Å; V538-Y556 HydrophobicContact CG1-CD2 4.36Å; V538-Y556 HydrophobicContact CG1-CE2 4.36Å
539	G	93.5	Very high	86.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	175.4	-177.4	0	0	0	0	0	112.5	C547 I554 Y556	G539-C547 CarbonylContact C-O 3.57Å; G539-C547 WeakPolarHBondContact CA-O 3.32Å; G539-I554 PolarHBondContact N-O 2.82Å; G539-Y556 PolarHBondContact O-N 2.73Å
540	Y	93	Very high	86.6	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.008	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	147	173.8	69.1	-86.9	0	0	0	113.8	M520 A523 L534 I542 E545 C547 Y556	M520-Y540 HydrophobicContact CE-CE2 3.7Å; M520-Y540 WeakPolarHBondContact CE-OH 3.49Å; M520-Y540 HydrophobicContact CG-CD2 3.98Å; M520-Y540 HydrophobicContact CG-CE2 3.73Å; A523-Y540 HydrophobicContact CB-CD1 4.04Å; A523-Y540 HydrophobicContact CB-CG 4.32Å; L534-Y540 HydrophobicContact CD1-CD1 4.16Å; L534-Y540 HydrophobicContact CD2-CD1 4.29Å; L534-Y540 HydrophobicContact CD2-CE1 3.85Å; L534-Y540 HydrophobicContact CG-CD1 4.32Å; L534-Y540 HydrophobicContact CG-CE1 4.18Å; Y540-I542 HydrophobicContact CD2-CD1 4.3Å; Y540-I542 HydrophobicContact CD2-CG1 4.33Å; Y540-I542 HydrophobicContact CD2-CG2 4.26Å; Y540-I542 HydrophobicContact CE2-CD1 4.06Å; Y540-I542 HydrophobicContact CE2-CG1 4.31Å; Y540-E545 HydrophobicContact CE2-CG 4.14Å; Y540-E545 PolarHBondContact OH-OE1 2.8Å; Y540-C547 HydrophobicContact CD1-CB 3.84Å; Y540-C547 HydrophobicContact CD2-CB 4.49Å; Y540-C547 HydrophobicContact CE1-CB 3.48Å; Y540-C547 VanDerWaalsContact CE1-CB 3.48Å; Y540-C547 HydrophobicContact CE2-CB 4.2Å; Y540-C547 HydrophobicContact CG-CB 4.34Å; Y540-C547 PolarHBondContact N-O 3.18Å; Y540-C547 CarbonylContact O-C 3.59Å; Y540-C547 WeakPolarHBondContact O-CA 3.46Å; Y540-C547 PolarHBondContact O-N 2.99Å; Y540-C547 PolarHBondContact OH-SG 3.24Å; Y540-C547 VanDerWaalsContact OH-SG 3.41Å; Y540-Y556 CarbonylContact C-O 3.49Å; Y540-Y556 WeakPolarHBondContact CA-O 3.37Å; Y540-Y556 WeakPolarHBondContact CB-O 3.38Å
541	A	90.6	Very high	86.8	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.008	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	114.6	176	0	0	0	0	0	110.4	Y556 M557 T558 I561	A541-Y556 PolarHBondContact N-O 3.3Å; A541-M557 HydrophobicContact CB-CB 4.43Å; A541-M557 WeakPolarHBondContact O-CA 3.49Å; A541-M557 VanDerWaalsContact O-CB 3.24Å; A541-M557 WeakPolarHBondContact O-CB 3.45Å; A541-T558 PolarHBondContact O-N 3.28Å; A541-I561 HydrophobicContact CB-CG2 4.18Å
542	I	86.9	Confident	87.1	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.026	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	161.7	177.7	65.4	-175.3	0	0	0	110.1	R516 A519 M520 Y540 F544 E545 T558	R516-I542 HydrophobicContact CB-CD1 4.22Å; R516-I542 HydrophobicContact CG-CB 4.3Å; R516-I542 HydrophobicContact CG-CD1 4.41Å; A519-I542 HydrophobicContact CB-CG2 3.82Å; M520-I542 HydrophobicContact CE-CD1 3.8Å; M520-I542 HydrophobicContact CG-CD1 3.66Å; M520-I542 HydrophobicContact SD-CD1 3.5Å; M520-I542 WeakPolarHBondContact SD-CD1 3.31Å; Y540-I542 HydrophobicContact CD2-CD1 4.3Å; Y540-I542 HydrophobicContact CD2-CG1 4.33Å; Y540-I542 HydrophobicContact CD2-CG2 4.26Å; Y540-I542 HydrophobicContact CE2-CD1 4.06Å; Y540-I542 HydrophobicContact CE2-CG1 4.31Å; I542-F544 PolarHBondContact O-N 3.11Å; I542-F544 VanDerWaalsContact O-N 3.1Å; I542-E545 HydrophobicContact CD1-CB 4.26Å; I542-E545 HydrophobicContact CG1-CB 3.82Å; I542-E545 WeakPolarHBondContact CG1-O 3.36Å; I542-E545 PolarHBondContact N-O 3.47Å; I542-E545 CarbonylContact O-C 3.55Å; I542-E545 PolarHBondContact O-N 3.32Å; I542-T558 HydrophobicContact CB-CG2 4.38Å; I542-T558 HydrophobicContact CG2-CG2 3.96Å
543	R	77.9	Confident	87.4	Confident	93 Å²	93	48 Å²	48	35%	0.351	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	124.2	177.7	-171.9	179.7	167.9	150.2	2.5	110.3	R516 P879	R516-R543 PolarHBondContact NE-O 3.18Å; R516-R543 PolarHBondContact NH2-O 3.31Å; R543-P879 VanDerWaalsContact CZ-O 3.26Å; R543-P879 PolarHBondContact NH1-O 3.43Å; R543-P879 PolarHBondContact NH2-O 3.23Å
544	F	66.5	Low	87.7	Confident	65 Å²	65	43.8 Å²	43.8	29%	0.285	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	-1.5	-175.9	-47	-64.2	0	0	0	117.5	I542 I973	I542-F544 PolarHBondContact O-N 3.11Å; I542-F544 VanDerWaalsContact O-N 3.1Å; F544-I973 HydrophobicContact CE1-CD1 4.43Å; F544-I973 HydrophobicContact CE1-CG1 3.83Å; F544-I973 HydrophobicContact CZ-CD1 4.11Å; F544-I973 HydrophobicContact CZ-CG1 4.03Å
545	E	72.9	Confident	88.1	Confident	39 Å²	39	42.4 Å²	42.4	18%	0.182	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	113.6	-173	-173.7	174.4	-168.9	0	0	110.6	R516 M520 Y540 I542	R516-E545 IonicContact NH2-OE2 2.74Å; R516-E545 PolarHBondContact NH2-OE2 3.16Å; M520-E545 WeakPolarHBondContact CE-OE1 3.34Å; M520-E545 WeakPolarHBondContact CE-OE2 3.33Å; Y540-E545 HydrophobicContact CE2-CG 4.14Å; Y540-E545 PolarHBondContact OH-OE1 2.8Å; I542-E545 HydrophobicContact CD1-CB 4.26Å; I542-E545 HydrophobicContact CG1-CB 3.82Å; I542-E545 WeakPolarHBondContact CG1-O 3.36Å; I542-E545 PolarHBondContact N-O 3.47Å; I542-E545 CarbonylContact O-C 3.55Å; I542-E545 PolarHBondContact O-N 3.32Å
546	D	84.7	Confident	88.5	Confident	99 Å²	99	41.8 Å²	41.8	53%	0.529	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.6	176.9	-161.3	-35.9	0	0	0	109.3	T548	D546-T548 WeakPolarHBondContact OD1-CB 3.37Å; D546-T548 WeakPolarHBondContact OD1-CG2 3.41Å; D546-T548 PolarHBondContact OD1-N 2.92Å; D546-T548 VanDerWaalsContact OD1-N 3.1Å; D546-T548 PolarHBondContact OD1-OG1 3.22Å
547	C	87.3	Confident	88.7	Confident	28 Å²	28	39.5 Å²	39.5	19%	0.189	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	62.7	179.7	-74.4	0	0	0	0	107.9	G535 G539 Y540	G535-C547 WeakPolarHBondContact CA-O 3.38Å; G539-C547 CarbonylContact C-O 3.57Å; G539-C547 WeakPolarHBondContact CA-O 3.32Å; Y540-C547 HydrophobicContact CD1-CB 3.84Å; Y540-C547 HydrophobicContact CD2-CB 4.49Å; Y540-C547 HydrophobicContact CE1-CB 3.48Å; Y540-C547 VanDerWaalsContact CE1-CB 3.48Å; Y540-C547 HydrophobicContact CE2-CB 4.2Å; Y540-C547 HydrophobicContact CG-CB 4.34Å; Y540-C547 PolarHBondContact N-O 3.18Å; Y540-C547 CarbonylContact O-C 3.59Å; Y540-C547 WeakPolarHBondContact O-CA 3.46Å; Y540-C547 PolarHBondContact O-N 2.99Å; Y540-C547 PolarHBondContact OH-SG 3.24Å; Y540-C547 VanDerWaalsContact OH-SG 3.41Å
548	T	88	Confident	88.7	Confident	51 Å²	51	36.8 Å²	36.8	31%	0.313	20%	0.199	S	C	.	.			trans	-128.3	163.3	173.1	63.1	0	0	0	0	110.5	D546 T552 K555	D546-T548 WeakPolarHBondContact OD1-CB 3.37Å; D546-T548 WeakPolarHBondContact OD1-CG2 3.41Å; D546-T548 PolarHBondContact OD1-N 2.92Å; D546-T548 VanDerWaalsContact OD1-N 3.1Å; D546-T548 PolarHBondContact OD1-OG1 3.22Å; T548-T552 HydrophobicContact CG2-CG2 4.12Å; T548-K555 HydrophobicContact CG2-CD 4.33Å; T548-K555 HydrophobicContact CG2-CG 4.03Å
549	S	89.2	Confident	88.6	Confident	48 Å²	48	36.9 Å²	36.9	34%	0.336	20%	0.199	S	C	.	.			trans	-142.1	174.1	177.4	67.8	0	0	0	0	110.9	G535 D536 K551 T552	G535-S549 VanDerWaalsContact O-CB 3.28Å; G535-S549 WeakPolarHBondContact O-CB 3.49Å; G535-S549 PolarHBondContact O-N 3.34Å; G535-S549 PolarHBondContact O-OG 3.14Å; D536-S549 PolarHBondContact O-OG 2.78Å; S549-K551 PolarHBondContact O-N 2.85Å; S549-K551 PolarHBondContact OG-N 3.35Å; S549-T552 PolarHBondContact N-OG1 3.3Å; S549-T552 WeakPolarHBondContact O-CB 3.4Å; S549-T552 PolarHBondContact O-N 3.19Å; S549-T552 PolarHBondContact O-OG1 3.11Å; S549-T552 PolarHBondContact OG-OG1 2.84Å
550	S	88.7	Confident	88.3	Confident	135 Å²	135	38.2 Å²	38.2	94%	0.944	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-6.4	173.6	54.5	0	0	0	0	114.5
551	K	90.6	Very high	88.2	Confident	118 Å²	118	39.4 Å²	39.4	51%	0.513	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-5.2	169.9	-55.1	-169.1	-153.4	139.1	0	113.7	D536 S549 V553	D536-K551 CarbonylContact O-C 3.53Å; D536-K551 VanDerWaalsContact O-C 3.24Å; D536-K551 WeakPolarHBondContact OD1-CE 3.4Å; D536-K551 IonicContact OD1-NZ 3.41Å; D536-K551 PolarHBondContact OD1-NZ 3.05Å; D536-K551 WeakPolarHBondContact OD2-CD 3.23Å; D536-K551 IonicContact OD2-NZ 3.43Å; D536-K551 PolarHBondContact OD2-NZ 2.92Å; S549-K551 PolarHBondContact O-N 2.85Å; S549-K551 PolarHBondContact OG-N 3.35Å; K551-V553 WeakPolarHBondContact O-CG2 3.45Å; K551-V553 PolarHBondContact O-N 2.85Å
552	T	91.5	Very high	88.3	Confident	14 Å²	14	39.4 Å²	39.4	9%	0.086	22%	0.219	C	C	.	.			trans	-74.6	113.5	-172.2	-61.6	0	0	0	0	110.9	G535 D536 T548 S549 I554 K555	G535-T552 PolarHBondContact O-OG1 3.3Å; D536-T552 WeakPolarHBondContact O-CA 3.46Å; D536-T552 PolarHBondContact O-N 2.74Å; D536-T552 VanDerWaalsContact O-N 3.11Å; D536-T552 PolarHBondContact O-OG1 3.01Å; T548-T552 HydrophobicContact CG2-CG2 4.12Å; S549-T552 PolarHBondContact N-OG1 3.3Å; S549-T552 WeakPolarHBondContact O-CB 3.4Å; S549-T552 PolarHBondContact O-N 3.19Å; S549-T552 PolarHBondContact O-OG1 3.11Å; S549-T552 PolarHBondContact OG-OG1 2.84Å; T552-I554 WeakPolarHBondContact CG2-O 3.43Å; T552-K555 HydrophobicContact CG2-CB 4.36Å
553	V	93.9	Very high	88.4	Confident	30 Å²	30	39.5 Å²	39.5	18%	0.182	22%	0.22	C	C	.	.			trans	-101.4	-29.5	179.5	-173.8	0	0	0	0	111.4	Y499 G504 I509 Q537 K551	Y499-V553 HydrophobicContact CD2-CB 4.2Å; Y499-V553 HydrophobicContact CD2-CG1 3.69Å; Y499-V553 HydrophobicContact CE2-CB 4.02Å; Y499-V553 HydrophobicContact CE2-CG1 3.81Å; Y499-V553 HydrophobicContact CE2-CG2 4.35Å; G504-V553 WeakPolarHBondContact O-CG1 3.4Å; I509-V553 PolarHBondContact N-O 3.37Å; Q537-V553 PolarHBondContact O-N 3.3Å; K551-V553 WeakPolarHBondContact O-CG2 3.45Å; K551-V553 PolarHBondContact O-N 2.85Å
554	I	95.6	Very high	88.7	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.015	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	111.2	173.9	-56.7	177.5	0	0	0	108.3	T495 Y499 Q537 V538 G539 T552 Y556	T495-I554 HydrophobicContact CG2-CG2 4.01Å; Y499-I554 HydrophobicContact CD2-CD1 4.48Å; Y499-I554 HydrophobicContact CD2-CG1 4.42Å; Y499-I554 HydrophobicContact CG-CD1 4.14Å; Q537-I554 PolarHBondContact O-N 3.33Å; Q537-I554 VanDerWaalsContact O-N 3.16Å; V538-I554 HydrophobicContact CG2-CB 4.3Å; V538-I554 HydrophobicContact CG2-CD1 4.3Å; G539-I554 PolarHBondContact N-O 2.82Å; T552-I554 WeakPolarHBondContact CG2-O 3.43Å; I554-Y556 HydrophobicContact CG2-CD2 4.09Å; I554-Y556 HydrophobicContact CG2-CE2 3.67Å
555	K	95.2	Very high	89.8	Confident	26 Å²	26	39.9 Å²	39.9	11%	0.113	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	106.9	-178.2	-177.6	178.1	167.9	-171.6	0	110.1	V508 I509 G510 C511 T548 T552 M557 E565 Y575	V508-K555 HydrophobicContact CG1-CB 3.69Å; I509-K555 PolarHBondContact O-N 3.33Å; G510-K555 WeakPolarHBondContact CA-O 3.09Å; C511-K555 PolarHBondContact N-O 3.22Å; T548-K555 HydrophobicContact CG2-CD 4.33Å; T548-K555 HydrophobicContact CG2-CG 4.03Å; T552-K555 HydrophobicContact CG2-CB 4.36Å; K555-M557 HydrophobicContact CB-CE 4.34Å; K555-M557 HydrophobicContact CD-CE 4.12Å; K555-M557 HydrophobicContact CG-CE 3.99Å; K555-M557 WeakPolarHBondContact O-CE 3.08Å; K555-E565 VanDerWaalsContact NZ-CD 3.26Å; K555-E565 IonicContact NZ-OE1 2.95Å; K555-E565 PolarHBondContact NZ-OE1 2.95Å; K555-E565 IonicContact NZ-OE2 2.73Å; K555-E565 PolarHBondContact NZ-OE2 3.27Å; K555-E565 VanDerWaalsContact NZ-OE2 3.11Å; K555-Y575 WeakPolarHBondContact CD-OH 3.49Å; K555-Y575 WeakPolarHBondContact CE-OH 3.34Å; K555-Y575 PolarHBondContact NZ-OH 3.12Å
556	Y	95.7	Very high	90.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.6	169.7	-77.1	-83.4	0	0	0	110.1	T491 T495 C511 V522 A523 V526 V538 G539 Y540 A541 I554	T491-Y556 PolarHBondContact O-OH 3.16Å; T495-Y556 HydrophobicContact CG2-CE1 4.23Å; T495-Y556 HydrophobicContact CG2-CE2 4.44Å; T495-Y556 WeakPolarHBondContact CG2-OH 3.35Å; T495-Y556 PolarHBondContact OG1-OH 2.75Å; C511-Y556 HydrophobicContact CB-CD1 3.71Å; C511-Y556 HydrophobicContact CB-CE1 3.68Å; C511-Y556 HydrophobicContact CB-CG 4.45Å; C511-Y556 CarbonylContact O-C 3.53Å; C511-Y556 WeakPolarHBondContact O-CA 3.49Å; C511-Y556 VanDerWaalsContact SG-CE1 3.53Å; V522-Y556 HydrophobicContact CB-CD1 4.43Å; V522-Y556 HydrophobicContact CB-CE1 4.26Å; V522-Y556 HydrophobicContact CG1-CD1 3.92Å; V522-Y556 HydrophobicContact CG1-CE1 3.3Å; V522-Y556 HydrophobicContact CG1-CE2 4.24Å; V522-Y556 VanDerWaalsContact CG1-CZ 3.49Å; A523-Y556 HydrophobicContact CB-CD2 3.8Å; A523-Y556 HydrophobicContact CB-CG 4.11Å; V526-Y556 HydrophobicContact CB-CE2 4.16Å; V526-Y556 HydrophobicContact CG1-CE2 4.3Å; V526-Y556 HydrophobicContact CG2-CE2 4.34Å; V538-Y556 HydrophobicContact CG1-CD2 4.36Å; V538-Y556 HydrophobicContact CG1-CE2 4.36Å; G539-Y556 PolarHBondContact O-N 2.73Å; Y540-Y556 CarbonylContact C-O 3.49Å; Y540-Y556 WeakPolarHBondContact CA-O 3.37Å; Y540-Y556 WeakPolarHBondContact CB-O 3.38Å; A541-Y556 PolarHBondContact N-O 3.3Å; I554-Y556 HydrophobicContact CG2-CD2 4.09Å; I554-Y556 HydrophobicContact CG2-CE2 3.67Å
557	M	94.5	Very high	90.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	161.5	-177.8	70.4	-163.5	92.9	0	0	113.3	C511 T512 Q513 A541 K555 I561 L562 Y575	C511-M557 PolarHBondContact O-N 3.03Å; T512-M557 CarbonylContact C-O 3.3Å; T512-M557 VanDerWaalsContact CA-O 3.25Å; T512-M557 WeakPolarHBondContact CA-O 3.49Å; T512-M557 HydrophobicContact CG2-CG 4.34Å; Q513-M557 PolarHBondContact N-O 3.26Å; A541-M557 HydrophobicContact CB-CB 4.43Å; A541-M557 WeakPolarHBondContact O-CA 3.49Å; A541-M557 VanDerWaalsContact O-CB 3.24Å; A541-M557 WeakPolarHBondContact O-CB 3.45Å; K555-M557 HydrophobicContact CB-CE 4.34Å; K555-M557 HydrophobicContact CD-CE 4.12Å; K555-M557 HydrophobicContact CG-CE 3.99Å; K555-M557 WeakPolarHBondContact O-CE 3.08Å; M557-I561 HydrophobicContact CB-CB 4.38Å; M557-I561 HydrophobicContact CB-CG2 4.32Å; M557-I561 HydrophobicContact SD-CG2 4.5Å; M557-L562 HydrophobicContact CG-CB 4.45Å; M557-L562 HydrophobicContact SD-CB 3.74Å; M557-L562 HydrophobicContact SD-CD1 4.13Å; M557-L562 HydrophobicContact SD-CG 4.44Å; M557-Y575 HydrophobicContact CE-CE1 3.84Å
558	T	92.7	Very high	89.9	Confident	15 Å²	15	38.2 Å²	38.2	9%	0.092	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	143.4	165.3	44	0	0	0	0	111	Q513 R516 A541 I542 G560 I561	Q513-T558 WeakPolarHBondContact O-CA 3.34Å; R516-T558 HydrophobicContact CB-CG2 4.45Å; R516-T558 HydrophobicContact CG-CG2 3.85Å; A541-T558 PolarHBondContact O-N 3.28Å; I542-T558 HydrophobicContact CB-CG2 4.38Å; I542-T558 HydrophobicContact CG2-CG2 3.96Å; T558-G560 PolarHBondContact O-N 2.84Å; T558-I561 WeakPolarHBondContact O-CB 3.31Å; T558-I561 PolarHBondContact O-N 3.12Å; T558-I561 WeakPolarHBondContact OG1-CG1 3.14Å
559	D	91.7	Very high	89.8	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-44.3	-43.8	177.7	-65.3	14.9	0	0	0	113.4	T512 I561 L562 L563 N589 T590 L593	T512-D559 WeakPolarHBondContact CB-OD1 3.43Å; T512-D559 PolarHBondContact OG1-OD1 3.14Å; D559-I561 PolarHBondContact O-N 2.76Å; D559-I561 VanDerWaalsContact O-N 3.15Å; D559-L562 PolarHBondContact O-N 3.06Å; D559-L563 WeakPolarHBondContact O-CB 3.28Å; D559-L563 PolarHBondContact O-N 3.01Å; D559-N589 HydrophobicContact CB-CB 3.76Å; D559-T590 VanDerWaalsContact OD2-CB 3.31Å; D559-T590 WeakPolarHBondContact OD2-CB 3.28Å; D559-T590 WeakPolarHBondContact OD2-CG2 3.39Å; D559-T590 PolarHBondContact OD2-OG1 3.36Å; D559-L593 HydrophobicContact CB-CD1 3.94Å; D559-L593 WeakPolarHBondContact O-CD1 3.5Å
560	G	88.1	Confident	89.5	Confident	27 Å²	27	40.4 Å²	40.4	28%	0.278	24%	0.235	S	C	.	.	H	α-helix	trans	-68.1	-5.5	178.2	0	0	0	0	0	116.4	T558	T558-G560 PolarHBondContact O-N 2.84Å
561	I	90.7	Very high	89.4	Confident	28 Å²	28	36.5 Å²	36.5	14%	0.144	20%	0.203	C	C	.	.	H	α-helix	trans	-89.4	-50.6	169.3	-68.1	-67.2	0	0	0	109.6	A541 M557 T558 D559 L563 R564 E565	A541-I561 HydrophobicContact CB-CG2 4.18Å; M557-I561 HydrophobicContact CB-CB 4.38Å; M557-I561 HydrophobicContact CB-CG2 4.32Å; M557-I561 HydrophobicContact SD-CG2 4.5Å; T558-I561 WeakPolarHBondContact O-CB 3.31Å; T558-I561 PolarHBondContact O-N 3.12Å; T558-I561 WeakPolarHBondContact OG1-CG1 3.14Å; D559-I561 PolarHBondContact O-N 2.76Å; D559-I561 VanDerWaalsContact O-N 3.15Å; I561-L563 PolarHBondContact O-N 3.32Å; I561-R564 WeakPolarHBondContact O-CA 3.43Å; I561-R564 WeakPolarHBondContact O-CB 3.36Å; I561-R564 PolarHBondContact O-N 3.36Å; I561-E565 VanDerWaalsContact CG2-OE1 3.29Å; I561-E565 WeakPolarHBondContact CG2-OE1 3.4Å; I561-E565 PolarHBondContact O-N 3.07Å
562	L	92.4	Very high	89.3	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-56.1	-42.2	174	-174.3	62.1	0	0	0	111.1	T512 M557 D559 R564 E565 C566 L572 Y575 V578 M580 L593	T512-L562 HydrophobicContact CG2-CB 4.35Å; T512-L562 HydrophobicContact CG2-CD2 3.64Å; M557-L562 HydrophobicContact CG-CB 4.45Å; M557-L562 HydrophobicContact SD-CB 3.74Å; M557-L562 HydrophobicContact SD-CD1 4.13Å; M557-L562 HydrophobicContact SD-CG 4.44Å; D559-L562 PolarHBondContact O-N 3.06Å; L562-R564 PolarHBondContact O-N 2.72Å; L562-E565 PolarHBondContact O-N 2.86Å; L562-E565 VanDerWaalsContact O-N 3.1Å; L562-C566 PolarHBondContact O-N 3Å; L562-C566 PolarHBondContact O-SG 3.2Å; L562-L572 HydrophobicContact CD1-CD1 4.07Å; L562-L572 HydrophobicContact CD1-CD2 3.89Å; L562-Y575 HydrophobicContact CD1-CE2 4.12Å; L562-V578 HydrophobicContact CD2-CG1 3.83Å; L562-M580 HydrophobicContact CD2-SD 4.32Å; L562-L593 HydrophobicContact CB-CD1 4.31Å; L562-L593 HydrophobicContact CB-CD2 4.45Å; L562-L593 HydrophobicContact CD2-CD1 4.25Å; L562-L593 HydrophobicContact CD2-CD2 4.17Å; L562-L593 HydrophobicContact CG-CD2 4.1Å
563	L	89.2	Confident	89.2	Confident	7 Å²	7	35.7 Å²	35.7	4%	0.037	20%	0.204	C	C	.	.	H	α-helix	trans	-63.3	-23.2	177.5	-175.2	57	0	0	0	113.7	D559 I561 N589 V592 L593 L596 L826	D559-L563 WeakPolarHBondContact O-CB 3.28Å; D559-L563 PolarHBondContact O-N 3.01Å; I561-L563 PolarHBondContact O-N 3.32Å; L563-N589 HydrophobicContact CD2-CB 4.04Å; L563-V592 HydrophobicContact CD1-CG1 3.74Å; L563-V592 HydrophobicContact CD2-CB 4.37Å; L563-V592 HydrophobicContact CD2-CG1 4.23Å; L563-L593 HydrophobicContact CB-CD1 4.42Å; L563-L593 HydrophobicContact CB-CD2 4.01Å; L563-L593 HydrophobicContact CB-CG 4.1Å; L563-L593 HydrophobicContact CD1-CD2 4.02Å; L563-L593 HydrophobicContact CD1-CG 4.21Å; L563-L596 HydrophobicContact CD1-CD1 3.53Å; L563-L826 HydrophobicContact CD1-CD2 3.91Å; L563-L826 HydrophobicContact CD2-CD2 3.75Å; L563-L826 HydrophobicContact CG-CD2 3.8Å
564	R	84.5	Confident	89	Confident	114 Å²	114	38.6 Å²	38.6	43%	0.43	22%	0.219	S	C	.	.	H	α-helix	trans	-84	-38.7	171.3	-177.4	175.6	-58.6	-165.6	-3	111.9	I561 L562 C566 L567 P879	I561-R564 WeakPolarHBondContact O-CA 3.43Å; I561-R564 WeakPolarHBondContact O-CB 3.36Å; I561-R564 PolarHBondContact O-N 3.36Å; L562-R564 PolarHBondContact O-N 2.72Å; R564-C566 PolarHBondContact O-N 2.84Å; R564-L567 WeakPolarHBondContact O-CB 3.43Å; R564-L567 PolarHBondContact O-N 3.11Å; R564-P879 VanDerWaalsContact NH2-CB 3.32Å
565	E	87.9	Confident	88.9	Confident	51 Å²	51	38.8 Å²	38.8	24%	0.238	22%	0.219	C	C	.	.	H	α-helix	trans	-60.4	-36.6	174.7	-68.9	172.6	-158.4	0	0	110.4	K555 I561 L562 L567 G568 E569 L572 Y575	K555-E565 VanDerWaalsContact NZ-CD 3.26Å; K555-E565 IonicContact NZ-OE1 2.95Å; K555-E565 PolarHBondContact NZ-OE1 2.95Å; K555-E565 IonicContact NZ-OE2 2.73Å; K555-E565 PolarHBondContact NZ-OE2 3.27Å; K555-E565 VanDerWaalsContact NZ-OE2 3.11Å; I561-E565 VanDerWaalsContact CG2-OE1 3.29Å; I561-E565 WeakPolarHBondContact CG2-OE1 3.4Å; I561-E565 PolarHBondContact O-N 3.07Å; L562-E565 PolarHBondContact O-N 2.86Å; L562-E565 VanDerWaalsContact O-N 3.1Å; E565-L567 PolarHBondContact O-N 3.17Å; E565-L567 VanDerWaalsContact O-N 3.11Å; E565-G568 PolarHBondContact O-N 3.13Å; E565-E569 PolarHBondContact O-N 3.17Å; E565-L572 HydrophobicContact CB-CD2 4.39Å; E565-Y575 WeakPolarHBondContact OE2-CE2 3.47Å; E565-Y575 PolarHBondContact OE2-OH 3Å
566	C	86.5	Confident	88.8	Confident	5 Å²	5	37.9 Å²	37.9	3%	0.034	22%	0.216	C	C	.	.	H	α-helix	trans	-58.1	-18.2	169.3	-65	0	0	0	0	115.8	L562 R564 P570 L830	L562-C566 PolarHBondContact O-N 3Å; L562-C566 PolarHBondContact O-SG 3.2Å; R564-C566 PolarHBondContact O-N 2.84Å; C566-P570 WeakPolarHBondContact O-CA 3.28Å; C566-L830 WeakPolarHBondContact O-CD2 3.28Å
567	L	80.3	Confident	88.8	Confident	59 Å²	59	37.9 Å²	37.9	31%	0.309	22%	0.216	S	C	.	.	H	α-helix	trans	-79.9	-37.2	175.9	-70	167.2	0	0	0	112.2	R564 E565 L826 L830 I876	R564-L567 WeakPolarHBondContact O-CB 3.43Å; R564-L567 PolarHBondContact O-N 3.11Å; E565-L567 PolarHBondContact O-N 3.17Å; E565-L567 VanDerWaalsContact O-N 3.11Å; L567-L826 HydrophobicContact CD1-CD1 3.69Å; L567-L826 HydrophobicContact CD2-CD1 3.71Å; L567-L826 HydrophobicContact CG-CD1 4Å; L567-L830 HydrophobicContact CD2-CD1 4.32Å; L567-L830 HydrophobicContact CD2-CD2 3.79Å; L567-L830 HydrophobicContact CD2-CG 3.82Å; L567-I876 HydrophobicContact CD1-CG2 4.12Å
568	G	80.8	Confident	88.8	Confident	67 Å²	67	37.9 Å²	37.9	69%	0.691	22%	0.217	S	C	*	.	H	α-helix	trans	-83.7	-40.5	176	0	0	0	0	0	112.3	E565 P570	E565-G568 PolarHBondContact O-N 3.13Å; G568-P570 WeakPolarHBondContact O-CD 3.33Å
569	E	85.8	Confident	89	Confident	75 Å²	75	37.3 Å²	37.3	35%	0.35	21%	0.213	S	C	.	.			trans	-121.7	83.1	-177.9	-66.7	-177.6	-177.6	0	0	110	E565 D571 L572 N574	E565-E569 PolarHBondContact O-N 3.17Å; E569-D571 PolarHBondContact O-N 2.93Å; E569-L572 PolarHBondContact O-N 2.86Å; E569-N574 PolarHBondContact OE1-ND2 2.83Å; E569-N574 PolarHBondContact OE2-ND2 2.82Å
570	P	83.5	Confident	89.1	Confident	70 Å²	70	37.1 Å²	37.1	46%	0.455	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-10.6	-174.6	27.4	-36.3	0	0	0	114.4	C566 G568 V600 R603	C566-P570 WeakPolarHBondContact O-CA 3.28Å; G568-P570 WeakPolarHBondContact O-CD 3.33Å; P570-V600 WeakPolarHBondContact O-CG2 3.49Å; P570-R603 PolarHBondContact O-NH2 3.17Å
571	D	86	Confident	89.3	Confident	53 Å²	53	35.9 Å²	35.9	28%	0.283	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-0.1	173.9	-75.5	-49.3	0	0	0	113.8	E569 D573 R603 R604	E569-D571 PolarHBondContact O-N 2.93Å; D571-D573 PolarHBondContact O-N 2.96Å; D571-R603 IonicContact OD1-CZ 3.6Å; D571-R603 IonicContact OD1-NE 3.67Å; D571-R603 PolarHBondContact OD1-NE 3.31Å; D571-R603 IonicContact OD1-NH2 2.7Å; D571-R603 PolarHBondContact OD1-NH2 3.28Å; D571-R603 IonicContact OD2-NE 3.48Å; D571-R604 VanDerWaalsContact O-CD 3.26Å; D571-R604 WeakPolarHBondContact O-CD 3.35Å; D571-R604 PolarHBondContact O-NH1 3.35Å
572	L	90	Very high	89.2	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.194	C	C	.	.			trans	54.7	41.3	175.5	-66.4	174.5	0	0	0	115	L562 E565 E569 N574 Y575 L597 R604	L562-L572 HydrophobicContact CD1-CD1 4.07Å; L562-L572 HydrophobicContact CD1-CD2 3.89Å; E565-L572 HydrophobicContact CB-CD2 4.39Å; E569-L572 PolarHBondContact O-N 2.86Å; L572-N574 PolarHBondContact O-N 2.82Å; L572-N574 VanDerWaalsContact O-N 3.07Å; L572-Y575 HydrophobicContact CB-CD2 4.15Å; L572-Y575 HydrophobicContact CD2-CD2 4.2Å; L572-Y575 HydrophobicContact CD2-CE2 4.32Å; L572-Y575 PolarHBondContact O-N 2.98Å; L572-L597 HydrophobicContact CD1-CD2 3.72Å; L572-R604 PolarHBondContact O-NH1 3.33Å
573	D	88.1	Confident	89	Confident	115 Å²	115	34.9 Å²	34.9	62%	0.615	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-29.6	-169.6	-70.8	-21.4	0	0	0	114.6	D571 Y575 R604	D571-D573 PolarHBondContact O-N 2.96Å; D573-Y575 PolarHBondContact O-N 2.89Å; D573-R604 IonicContact OD1-NH1 2.62Å
574	N	89.8	Confident	88.8	Confident	92 Å²	92	35.1 Å²	35.1	49%	0.492	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-15.7	175.7	-74.9	-62.4	0	0	0	114.8	V508 E569 L572	V508-N574 PolarHBondContact N-O 3.09Å; E569-N574 PolarHBondContact OE1-ND2 2.83Å; E569-N574 PolarHBondContact OE2-ND2 2.82Å; L572-N574 PolarHBondContact O-N 2.82Å; L572-N574 VanDerWaalsContact O-N 3.07Å
575	Y	93.8	Very high	88.7	Confident	6 Å²	6	32.3 Å²	32.3	2%	0.024	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	135.6	-175.9	-66.2	-80.4	0	0	0	112.9	V508 K555 M557 L562 E565 L572 D573 V578 R604	V508-Y575 HydrophobicContact CB-CD1 3.9Å; V508-Y575 HydrophobicContact CB-CE1 3.98Å; V508-Y575 HydrophobicContact CG1-CD1 4.08Å; V508-Y575 HydrophobicContact CG1-CE1 3.77Å; V508-Y575 WeakPolarHBondContact O-CA 3.39Å; V508-Y575 WeakPolarHBondContact O-CD1 3.13Å; K555-Y575 WeakPolarHBondContact CD-OH 3.49Å; K555-Y575 WeakPolarHBondContact CE-OH 3.34Å; K555-Y575 PolarHBondContact NZ-OH 3.12Å; M557-Y575 HydrophobicContact CE-CE1 3.84Å; L562-Y575 HydrophobicContact CD1-CE2 4.12Å; E565-Y575 WeakPolarHBondContact OE2-CE2 3.47Å; E565-Y575 PolarHBondContact OE2-OH 3Å; L572-Y575 HydrophobicContact CB-CD2 4.15Å; L572-Y575 HydrophobicContact CD2-CD2 4.2Å; L572-Y575 HydrophobicContact CD2-CE2 4.32Å; L572-Y575 PolarHBondContact O-N 2.98Å; D573-Y575 PolarHBondContact O-N 2.89Å; Y575-V578 HydrophobicContact CG-CG2 4.37Å; Y575-R604 PolarHBondContact O-NH2 2.88Å
576	S	93.7	Very high	88.7	Confident	7 Å²	7	30.7 Å²	30.7	5%	0.049	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-32.4	172.4	63.1	0	0	0	0	112.4	Y503 G507 V508 R608	Y503-S576 WeakPolarHBondContact O-CB 3.35Å; Y503-S576 PolarHBondContact O-OG 3.34Å; G507-S576 PolarHBondContact O-OG 3.09Å; V508-S576 PolarHBondContact O-N 3.38Å; S576-R608 PolarHBondContact O-N 2.75Å; S576-R608 VanDerWaalsContact O-N 3.15Å
577	A	95	Very high	88.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	141.7	174.5	0	0	0	0	0	111.4	L498 G510 R608	L498-A577 HydrophobicContact CD1-CB 4.01Å; G510-A577 PolarHBondContact N-O 3.44Å; A577-R608 CarbonylContact C-O 3.49Å; A577-R608 VanDerWaalsContact CA-O 3.29Å; A577-R608 WeakPolarHBondContact CA-O 3.46Å; A577-R608 HydrophobicContact CB-CB 4.25Å
578	V	95.5	Very high	89.2	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	121.1	176.5	174.1	0	0	0	0	109	G510 L562 Y575 M580 L597 L607 R608 L609 I610	G510-V578 CarbonylContact O-C 3.46Å; G510-V578 WeakPolarHBondContact O-CA 3.3Å; L562-V578 HydrophobicContact CD2-CG1 3.83Å; Y575-V578 HydrophobicContact CG-CG2 4.37Å; V578-M580 HydrophobicContact CG1-CG 4.42Å; V578-M580 HydrophobicContact CG1-SD 4.22Å; V578-L597 HydrophobicContact CG1-CD1 4.45Å; V578-L607 HydrophobicContact CG2-CD1 4.26Å; V578-R608 PolarHBondContact N-O 3.39Å; V578-L609 HydrophobicContact CB-CD1 4.43Å; V578-L609 HydrophobicContact CG1-CD1 4.27Å; V578-L609 WeakPolarHBondContact O-CA 3.12Å; V578-I610 PolarHBondContact O-N 2.82Å
579	I	95.9	Very high	89.6	Confident	2 Å²	2	29.5 Å²	29.5	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	120.2	171.4	-59.6	160.7	0	0	0	108.2	L494 T495 L498 G510 C511 T512 D581 I610	L494-I579 HydrophobicContact CB-CD1 4.29Å; L494-I579 HydrophobicContact CD2-CD1 3.79Å; L494-I579 HydrophobicContact CD2-CG1 3.9Å; L494-I579 HydrophobicContact CD2-CG2 3.85Å; L494-I579 HydrophobicContact CG-CD1 3.74Å; L494-I579 HydrophobicContact CG-CG1 4.29Å; T495-I579 HydrophobicContact CG2-CD1 3.56Å; L498-I579 HydrophobicContact CD1-CD1 3.86Å; L498-I579 HydrophobicContact CD1-CG1 4.17Å; G510-I579 PolarHBondContact O-N 3.18Å; C511-I579 CarbonylContact C-O 3.59Å; C511-I579 WeakPolarHBondContact CA-O 3.18Å; C511-I579 HydrophobicContact CB-CB 4.25Å; C511-I579 HydrophobicContact CB-CD1 4.44Å; T512-I579 PolarHBondContact N-O 3.38Å; I579-D581 HydrophobicContact CG2-CB 4.2Å; I579-I610 CarbonylContact C-O 3.38Å; I579-I610 WeakPolarHBondContact CA-O 3.46Å; I579-I610 HydrophobicContact CG1-CB 4.3Å; I579-I610 HydrophobicContact CG1-CD1 4.28Å
580	M	94.2	Very high	89.9	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	97.9	169.8	-64.9	-63.5	-54.1	0	0	108.2	T512 L562 V578 T590 L593 F594 L597 L609 I610 T612	T512-M580 HydrophobicContact CG2-CE 4.37Å; T512-M580 HydrophobicContact CG2-SD 3.65Å; L562-M580 HydrophobicContact CD2-SD 4.32Å; V578-M580 HydrophobicContact CG1-CG 4.42Å; V578-M580 HydrophobicContact CG1-SD 4.22Å; M580-T590 HydrophobicContact CE-CG2 3.68Å; M580-L593 HydrophobicContact CE-CB 3.98Å; M580-L593 HydrophobicContact CE-CD1 3.78Å; M580-L593 HydrophobicContact SD-CD1 4.22Å; M580-F594 HydrophobicContact CB-CE1 3.86Å; M580-F594 HydrophobicContact CE-CE1 4.18Å; M580-F594 HydrophobicContact CG-CE1 3.98Å; M580-L597 HydrophobicContact CG-CD1 4.02Å; M580-L597 HydrophobicContact SD-CD1 3.7Å; M580-L609 HydrophobicContact CG-CD1 3.89Å; M580-I610 PolarHBondContact N-O 3.5Å; M580-T612 PolarHBondContact O-N 3.1Å; M580-T612 PolarHBondContact O-OG1 3.27Å
581	D	92.1	Very high	90.2	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.12	C	C	.	.			trans	-99.4	157.1	-171.7	-165.1	31.8	0	0	0	114.7	T491 T512 Q513 I579 A583 T612	T491-D581 VanDerWaalsContact CB-OD2 3.22Å; T491-D581 WeakPolarHBondContact CB-OD2 3.43Å; T491-D581 WeakPolarHBondContact CG2-OD2 3.34Å; T491-D581 PolarHBondContact OG1-OD2 3.13Å; T512-D581 WeakPolarHBondContact O-CB 3.32Å; T512-D581 PolarHBondContact O-N 2.9Å; Q513-D581 PolarHBondContact NE2-OD2 3.36Å; I579-D581 HydrophobicContact CG2-CB 4.2Å; D581-A583 PolarHBondContact O-N 2.82Å; D581-A583 VanDerWaalsContact O-N 3.16Å; D581-T612 VanDerWaalsContact CA-OG1 3.27Å; D581-T612 WeakPolarHBondContact CA-OG1 3.5Å; D581-T612 WeakPolarHBondContact CB-OG1 3.32Å; D581-T612 VanDerWaalsContact CG-OG1 3.27Å; D581-T612 WeakPolarHBondContact OD1-CB 3.33Å; D581-T612 PolarHBondContact OD1-OG1 3.05Å
582	E	88.6	Confident	90.4	Very high	7 Å²	7	20.2 Å²	20.2	3%	0.033	11%	0.106	C	C	.	.	S	Bend	trans	46.9	37.9	-170.8	-56.8	-85.1	85.7	0	0	112.2	K490 P514 H584 E585 T612 S740	K490-E582 IonicContact NZ-OE1 3.47Å; P514-E582 HydrophobicContact CG-CB 4.44Å; E582-H584 PolarHBondContact O-N 3.33Å; E582-H584 IonicContact OE1-CE1 2.77Å; E582-H584 PolarHBondContact OE1-CE1 2.81Å; E582-E585 PolarHBondContact O-N 3.05Å; E582-T612 PolarHBondContact N-O 2.94Å; E582-S740 PolarHBondContact OE2-N 2.86Å
583	A	88.5	Confident	90.4	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.008	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-52.3	-16.3	-174	0	0	0	0	0	115.9	D581 E585 R586 F594 V611 T612 F621	D581-A583 PolarHBondContact O-N 2.82Å; D581-A583 VanDerWaalsContact O-N 3.16Å; A583-E585 VanDerWaalsContact C-N 3.32Å; A583-R586 WeakPolarHBondContact O-CD 3.26Å; A583-F594 HydrophobicContact CB-CZ 3.82Å; A583-V611 HydrophobicContact CB-CG1 3.65Å; A583-T612 WeakPolarHBondContact CB-O 3.43Å; A583-T612 PolarHBondContact N-O 3.4Å; A583-T612 VanDerWaalsContact N-O 3.08Å; A583-F621 HydrophobicContact CB-CE1 3.91Å; A583-F621 HydrophobicContact CB-CZ 4.03Å
584	H	85.3	Confident	90.6	Very high	11 Å²	11	14.8 Å²	14.8	5%	0.051	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-78.1	-9.8	176.1	55	-87.7	0	0	0	114.1	E582 R586 S613 A614 T615 Q781	E582-H584 PolarHBondContact O-N 3.33Å; E582-H584 IonicContact OE1-CE1 2.77Å; E582-H584 PolarHBondContact OE1-CE1 2.81Å; H584-R586 PolarHBondContact O-N 3.27Å; H584-S613 PolarHBondContact ND1-OG 3.45Å; H584-A614 PolarHBondContact CE1-N 2.81Å; H584-A614 PolarHBondContact ND1-N 3.4Å; H584-T615 HydrophobicContact CB-CG2 3.96Å; H584-T615 WeakPolarHBondContact CB-OG1 3.2Å; H584-Q781 PolarHBondContact CD2-NE2 2.84Å; H584-Q781 PolarHBondContact NE2-OE1 3.1Å
585	E	81.9	Confident	90.6	Very high	56 Å²	56	10.4 Å²	10.4	26%	0.262	5%	0.053	S	C	.	.	G	3₁₀ helix	trans	-69.7	-22.2	170.6	-170.4	157.6	176.9	0	0	111.8	P514 R515 E582 A583 S587 T739	P514-E585 HydrophobicContact CB-CB 4.49Å; P514-E585 HydrophobicContact CB-CG 4.41Å; P514-E585 HydrophobicContact CG-CB 4.16Å; P514-E585 HydrophobicContact CG-CG 4.39Å; P514-E585 VanDerWaalsContact CG-OE2 3.3Å; P514-E585 WeakPolarHBondContact CG-OE2 3.38Å; R515-E585 IonicContact CZ-OE1 2.82Å; R515-E585 IonicContact CZ-OE2 2.77Å; R515-E585 IonicContact NE-OE1 3.83Å; R515-E585 PolarHBondContact NE-OE1 2.83Å; R515-E585 IonicContact NE-OE2 2.78Å; R515-E585 PolarHBondContact NE-OE2 2.61Å; R515-E585 VanDerWaalsContact NH2-CD 3.32Å; R515-E585 IonicContact NH2-OE1 3.68Å; R515-E585 PolarHBondContact NH2-OE1 2.93Å; R515-E585 IonicContact NH2-OE2 2.68Å; R515-E585 PolarHBondContact NH2-OE2 3.43Å; E582-E585 PolarHBondContact O-N 3.05Å; A583-E585 VanDerWaalsContact C-N 3.32Å; E585-S587 VanDerWaalsContact C-N 3.33Å; E585-S587 PolarHBondContact O-N 2.84Å; E585-T739 PolarHBondContact OE2-OG1 3.26Å
586	R	88.1	Confident	90.3	Very high	16 Å²	16	10.9 Å²	10.9	6%	0.06	6%	0.056	C	C	.	.			trans	49.1	49.6	170.9	-62.7	-62.7	-58.1	-78.9	-8.2	113.1	A583 H584 D591 P813 E814 D842	A583-R586 WeakPolarHBondContact O-CD 3.26Å; H584-R586 PolarHBondContact O-N 3.27Å; R586-D591 IonicContact CZ-OD1 3.55Å; R586-D591 IonicContact CZ-OD2 2.68Å; R586-D591 IonicContact NE-OD1 3.66Å; R586-D591 PolarHBondContact NE-OD1 3.2Å; R586-D591 IonicContact NE-OD2 3.45Å; R586-D591 PolarHBondContact NE-OD2 3Å; R586-D591 IonicContact NH2-OD1 3.83Å; R586-D591 PolarHBondContact NH2-OD1 3.47Å; R586-D591 IonicContact NH2-OD2 2.97Å; R586-D591 PolarHBondContact NH2-OD2 2.82Å; R586-P813 HydrophobicContact CB-CB 4.01Å; R586-P813 HydrophobicContact CB-CG 4.35Å; R586-P813 VanDerWaalsContact NH2-CG 3.35Å; R586-E814 WeakPolarHBondContact O-CB 3.43Å; R586-E814 PolarHBondContact O-N 2.96Å; R586-D842 IonicContact CZ-OD2 2.7Å; R586-D842 IonicContact NH1-OD2 4Å; R586-D842 PolarHBondContact NH1-OD2 3.26Å; R586-D842 IonicContact NH2-OD2 2.57Å; R586-D842 PolarHBondContact NH2-OD2 3.45Å
587	S	88	Confident	90.2	Very high	15 Å²	15	10.6 Å²	10.6	11%	0.105	5%	0.054	C	C	.	.			trans	-70.9	159.1	175.7	90.5	0	0	0	0	111.4	E585 N589 T590 D591 E814	E585-S587 VanDerWaalsContact C-N 3.33Å; E585-S587 PolarHBondContact O-N 2.84Å; S587-N589 PolarHBondContact O-N 3.35Å; S587-N589 PolarHBondContact OG-N 2.91Å; S587-T590 PolarHBondContact O-N 2.86Å; S587-T590 VanDerWaalsContact O-N 3.09Å; S587-T590 PolarHBondContact OG-N 3.22Å; S587-T590 PolarHBondContact OG-OG1 3.22Å; S587-D591 PolarHBondContact O-N 3.12Å; S587-D591 VanDerWaalsContact O-N 3.12Å; S587-E814 WeakPolarHBondContact CA-OE2 3.41Å
588	L	89	Confident	90	Very high	30 Å²	30	13.4 Å²	13.4	16%	0.157	7%	0.066	C	C	.	.	H	α-helix	trans	-56.3	-36.7	-179.4	-175.1	63.4	0	0	0	112.7	V592 E814 I815 L820 V823	L588-V592 VanDerWaalsContact O-CG2 3.3Å; L588-V592 WeakPolarHBondContact O-CG2 3.34Å; L588-V592 PolarHBondContact O-N 3.37Å; L588-E814 HydrophobicContact CB-CB 4.38Å; L588-E814 HydrophobicContact CB-CG 4.11Å; L588-E814 WeakPolarHBondContact CB-OE2 3.23Å; L588-E814 PolarHBondContact N-OE2 3.12Å; L588-I815 HydrophobicContact CD1-CB 3.9Å; L588-I815 HydrophobicContact CD1-CG1 3.87Å; L588-L820 HydrophobicContact CD1-CD2 3.65Å; L588-V823 HydrophobicContact CD1-CG2 3.89Å; L588-V823 HydrophobicContact CD2-CG2 3.82Å; L588-V823 HydrophobicContact CG-CG2 3.72Å
589	N	90	Very high	89.6	Confident	61 Å²	61	16.8 Å²	16.8	33%	0.326	8%	0.082	S	C	.	.	H	α-helix	trans	-75.9	-36.9	178.4	-58.5	-61.2	0	0	0	112	D559 L563 S587 V592 L593	D559-N589 HydrophobicContact CB-CB 3.76Å; L563-N589 HydrophobicContact CD2-CB 4.04Å; S587-N589 PolarHBondContact O-N 3.35Å; S587-N589 PolarHBondContact OG-N 2.91Å; N589-V592 PolarHBondContact O-N 3.07Å; N589-L593 WeakPolarHBondContact O-CB 3.34Å; N589-L593 WeakPolarHBondContact O-CG 3.44Å; N589-L593 PolarHBondContact O-N 3.39Å
590	T	90.7	Very high	89.4	Confident	3 Å²	3	16.9 Å²	16.9	2%	0.018	8%	0.083	C	C	.	.	H	α-helix	trans	-62.9	-45.1	179.8	-33.7	0	0	0	0	110.7	D559 M580 S587 V592 L593 F594	D559-T590 VanDerWaalsContact OD2-CB 3.31Å; D559-T590 WeakPolarHBondContact OD2-CB 3.28Å; D559-T590 WeakPolarHBondContact OD2-CG2 3.39Å; D559-T590 PolarHBondContact OD2-OG1 3.36Å; M580-T590 HydrophobicContact CE-CG2 3.68Å; S587-T590 PolarHBondContact O-N 2.86Å; S587-T590 VanDerWaalsContact O-N 3.09Å; S587-T590 PolarHBondContact OG-N 3.22Å; S587-T590 PolarHBondContact OG-OG1 3.22Å; T590-V592 PolarHBondContact O-N 3.24Å; T590-L593 PolarHBondContact O-N 2.91Å; T590-F594 HydrophobicContact CG2-CD2 4.41Å; T590-F594 HydrophobicContact CG2-CE1 4.29Å; T590-F594 HydrophobicContact CG2-CE2 3.63Å; T590-F594 HydrophobicContact CG2-CZ 3.55Å; T590-F594 VanDerWaalsContact O-CD2 3.3Å; T590-F594 WeakPolarHBondContact O-CD2 3.14Å; T590-F594 WeakPolarHBondContact O-CG 3.33Å; T590-F594 PolarHBondContact O-N 3.37Å
591	D	89.9	Confident	89.2	Confident	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-67.9	-35.1	-179.1	-82.5	22.7	0	0	0	112.9	R586 S587 G595 I815	R586-D591 IonicContact CZ-OD1 3.55Å; R586-D591 IonicContact CZ-OD2 2.68Å; R586-D591 IonicContact NE-OD1 3.66Å; R586-D591 PolarHBondContact NE-OD1 3.2Å; R586-D591 IonicContact NE-OD2 3.45Å; R586-D591 PolarHBondContact NE-OD2 3Å; R586-D591 IonicContact NH2-OD1 3.83Å; R586-D591 PolarHBondContact NH2-OD1 3.47Å; R586-D591 IonicContact NH2-OD2 2.97Å; R586-D591 PolarHBondContact NH2-OD2 2.82Å; S587-D591 PolarHBondContact O-N 3.12Å; S587-D591 VanDerWaalsContact O-N 3.12Å; D591-G595 PolarHBondContact O-N 3.21Å; D591-I815 HydrophobicContact CB-CD1 4.35Å; D591-I815 HydrophobicContact CB-CG2 4.39Å; D591-I815 WeakPolarHBondContact OD2-CG2 3.36Å
592	V	89.5	Confident	89.1	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-69.3	-43.7	172.8	175.2	0	0	0	0	110.7	L563 L588 N589 T590 F594 G595 L596 V823 L826 L827	L563-V592 HydrophobicContact CD1-CG1 3.74Å; L563-V592 HydrophobicContact CD2-CB 4.37Å; L563-V592 HydrophobicContact CD2-CG1 4.23Å; L588-V592 VanDerWaalsContact O-CG2 3.3Å; L588-V592 WeakPolarHBondContact O-CG2 3.34Å; L588-V592 PolarHBondContact O-N 3.37Å; N589-V592 PolarHBondContact O-N 3.07Å; T590-V592 PolarHBondContact O-N 3.24Å; V592-F594 VanDerWaalsContact C-N 3.33Å; V592-F594 PolarHBondContact O-N 3.16Å; V592-G595 PolarHBondContact O-N 2.92Å; V592-L596 HydrophobicContact CG1-CD1 4Å; V592-L596 WeakPolarHBondContact O-CG 3.35Å; V592-L596 PolarHBondContact O-N 2.97Å; V592-L596 VanDerWaalsContact O-N 3.11Å; V592-V823 HydrophobicContact CG2-CG1 3.51Å; V592-V823 HydrophobicContact CG2-CG2 4.19Å; V592-L826 HydrophobicContact CG1-CD2 4.35Å; V592-L827 HydrophobicContact CG1-CD2 4.2Å
593	L	91.1	Very high	89.1	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.6	-40.1	175.2	-82.1	173.3	0	0	0	112.4	D559 L562 L563 M580 N589 T590 G595 L596 L597	D559-L593 HydrophobicContact CB-CD1 3.94Å; D559-L593 WeakPolarHBondContact O-CD1 3.5Å; L562-L593 HydrophobicContact CB-CD1 4.31Å; L562-L593 HydrophobicContact CB-CD2 4.45Å; L562-L593 HydrophobicContact CD2-CD1 4.25Å; L562-L593 HydrophobicContact CD2-CD2 4.17Å; L562-L593 HydrophobicContact CG-CD2 4.1Å; L563-L593 HydrophobicContact CB-CD1 4.42Å; L563-L593 HydrophobicContact CB-CD2 4.01Å; L563-L593 HydrophobicContact CB-CG 4.1Å; L563-L593 HydrophobicContact CD1-CD2 4.02Å; L563-L593 HydrophobicContact CD1-CG 4.21Å; M580-L593 HydrophobicContact CE-CB 3.98Å; M580-L593 HydrophobicContact CE-CD1 3.78Å; M580-L593 HydrophobicContact SD-CD1 4.22Å; N589-L593 WeakPolarHBondContact O-CB 3.34Å; N589-L593 WeakPolarHBondContact O-CG 3.44Å; N589-L593 PolarHBondContact O-N 3.39Å; T590-L593 PolarHBondContact O-N 2.91Å; L593-G595 VanDerWaalsContact C-N 3.32Å; L593-G595 PolarHBondContact O-N 3.05Å; L593-L596 PolarHBondContact O-N 3.44Å; L593-L597 HydrophobicContact CB-CD1 4.21Å; L593-L597 VanDerWaalsContact O-CB 3.24Å; L593-L597 WeakPolarHBondContact O-CB 3.48Å; L593-L597 VanDerWaalsContact O-CG 3.23Å; L593-L597 WeakPolarHBondContact O-CG 3.42Å; L593-L597 PolarHBondContact O-N 3.09Å
594	F	91.6	Very high	89.1	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.9	-40.1	176.4	-67.5	-39	0	0	0	112.7	M580 A583 T590 V592 K598 V611 F621 F624 F625 M841	M580-F594 HydrophobicContact CB-CE1 3.86Å; M580-F594 HydrophobicContact CE-CE1 4.18Å; M580-F594 HydrophobicContact CG-CE1 3.98Å; A583-F594 HydrophobicContact CB-CZ 3.82Å; T590-F594 HydrophobicContact CG2-CD2 4.41Å; T590-F594 HydrophobicContact CG2-CE1 4.29Å; T590-F594 HydrophobicContact CG2-CE2 3.63Å; T590-F594 HydrophobicContact CG2-CZ 3.55Å; T590-F594 VanDerWaalsContact O-CD2 3.3Å; T590-F594 WeakPolarHBondContact O-CD2 3.14Å; T590-F594 WeakPolarHBondContact O-CG 3.33Å; T590-F594 PolarHBondContact O-N 3.37Å; V592-F594 VanDerWaalsContact C-N 3.33Å; V592-F594 PolarHBondContact O-N 3.16Å; F594-K598 VanDerWaalsContact O-CB 3.29Å; F594-K598 WeakPolarHBondContact O-CB 3.34Å; F594-K598 PolarHBondContact O-N 3.08Å; F594-K598 VanDerWaalsContact O-N 3.16Å; F594-V611 HydrophobicContact CE1-CG1 4.07Å; F594-V611 HydrophobicContact CE1-CG2 4.25Å; F594-V611 HydrophobicContact CZ-CG1 4.18Å; F594-F621 AromaticContact CE2-CE1 3.85Å; F594-F621 HydrophobicContact CE2-CE1 3.85Å; F594-F621 HydrophobicContact CZ-CD1 4.46Å; F594-F621 AromaticContact CZ-CE1 3.97Å; F594-F621 HydrophobicContact CZ-CE1 3.97Å; F594-F624 HydrophobicContact CB-CE1 3.88Å; F594-F624 HydrophobicContact CB-CZ 4.28Å; F594-F624 WeakPolarHBondContact O-CE1 3.06Å; F594-F625 HydrophobicContact CB-CZ 4.18Å; F594-F625 HydrophobicContact CD1-CE2 4.18Å; F594-F625 AromaticContact CD1-CZ 3.84Å; F594-F625 HydrophobicContact CD1-CZ 3.84Å; F594-F625 HydrophobicContact CG-CZ 4.32Å; F594-M841 HydrophobicContact CB-CE 4.34Å; F594-M841 HydrophobicContact CD2-CE 3.63Å; F594-M841 HydrophobicContact CE2-CE 4.11Å; F594-M841 HydrophobicContact CG-CE 4.06Å
595	G	89.3	Confident	89.2	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.4	-44.2	175.2	0	0	0	0	0	112.8	D591 V592 L593 H839	D591-G595 PolarHBondContact O-N 3.21Å; V592-G595 PolarHBondContact O-N 2.92Å; L593-G595 VanDerWaalsContact C-N 3.32Å; L593-G595 PolarHBondContact O-N 3.05Å; G595-H839 VanDerWaalsContact CA-O 3.31Å; G595-H839 WeakPolarHBondContact CA-O 3.47Å
596	L	89	Confident	89.6	Confident	16 Å²	16	39.3 Å²	39.3	8%	0.084	19%	0.19	C	C	.	.	H	α-helix	trans	-69.3	-49.5	178.9	-64.8	170.7	0	0	0	112.4	L563 V592 L593 K598 E599 V600 L830 F838	L563-L596 HydrophobicContact CD1-CD1 3.53Å; V592-L596 HydrophobicContact CG1-CD1 4Å; V592-L596 WeakPolarHBondContact O-CG 3.35Å; V592-L596 PolarHBondContact O-N 2.97Å; V592-L596 VanDerWaalsContact O-N 3.11Å; L593-L596 PolarHBondContact O-N 3.44Å; L596-K598 PolarHBondContact O-N 2.94Å; L596-E599 WeakPolarHBondContact O-CA 3.36Å; L596-E599 WeakPolarHBondContact O-CB 3.19Å; L596-E599 PolarHBondContact O-N 3.3Å; L596-V600 WeakPolarHBondContact O-CG2 3.3Å; L596-V600 PolarHBondContact O-N 2.95Å; L596-L830 HydrophobicContact CD1-CD1 3.66Å; L596-L830 HydrophobicContact CD2-CD1 3.81Å; L596-L830 HydrophobicContact CG-CD1 4.39Å; L596-F838 HydrophobicContact CD2-CE2 3.97Å; L596-F838 HydrophobicContact CD2-CZ 4.38Å; L596-F838 HydrophobicContact CG-CE2 4.34Å; L596-F838 HydrophobicContact CG-CZ 4.27Å
597	L	91.4	Very high	89.8	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-63.2	-28.7	-178.9	-69.3	168.1	0	0	0	112.2	L572 V578 M580 L593 E599 V600 V601 L609	L572-L597 HydrophobicContact CD1-CD2 3.72Å; V578-L597 HydrophobicContact CG1-CD1 4.45Å; M580-L597 HydrophobicContact CG-CD1 4.02Å; M580-L597 HydrophobicContact SD-CD1 3.7Å; L593-L597 HydrophobicContact CB-CD1 4.21Å; L593-L597 VanDerWaalsContact O-CB 3.24Å; L593-L597 WeakPolarHBondContact O-CB 3.48Å; L593-L597 VanDerWaalsContact O-CG 3.23Å; L593-L597 WeakPolarHBondContact O-CG 3.42Å; L593-L597 PolarHBondContact O-N 3.09Å; L597-E599 VanDerWaalsContact C-N 3.31Å; L597-E599 PolarHBondContact O-N 2.61Å; L597-V600 PolarHBondContact O-N 3.19Å; L597-V601 WeakPolarHBondContact O-CB 3.35Å; L597-V601 WeakPolarHBondContact O-CG2 3.28Å; L597-V601 PolarHBondContact O-N 3.41Å; L597-L609 HydrophobicContact CB-CD2 4.06Å; L597-L609 HydrophobicContact CD1-CD1 3.97Å
598	K	90.1	Very high	90.1	Very high	59 Å²	59	40 Å²	40	26%	0.257	19%	0.19	S	C	.	.	H	α-helix	trans	-62.8	-36	170.8	-178.9	170.5	172.3	178.5	0	112.5	F594 L596 A602 F624 F625 H839	F594-K598 VanDerWaalsContact O-CB 3.29Å; F594-K598 WeakPolarHBondContact O-CB 3.34Å; F594-K598 PolarHBondContact O-N 3.08Å; F594-K598 VanDerWaalsContact O-N 3.16Å; L596-K598 PolarHBondContact O-N 2.94Å; K598-A602 PolarHBondContact O-N 3.25Å; K598-F624 HydrophobicContact CB-CE1 4.26Å; K598-F624 HydrophobicContact CD-CD1 4.39Å; K598-F624 HydrophobicContact CD-CE1 3.81Å; K598-F624 HydrophobicContact CD-CE2 4.37Å; K598-F624 HydrophobicContact CD-CZ 3.81Å; K598-F624 VanDerWaalsContact CE-O 3.31Å; K598-F624 WeakPolarHBondContact CE-O 3.16Å; K598-F624 PolarHBondContact NZ-O 3.48Å; K598-F625 HydrophobicContact CB-CD1 4.13Å; K598-F625 HydrophobicContact CB-CE1 3.88Å; K598-F625 HydrophobicContact CG-CD1 4.31Å; K598-H839 HydrophobicContact CD-CB 4.02Å; K598-H839 WeakPolarHBondContact CE-CD2 3.31Å
599	E	87.6	Confident	90.4	Very high	73 Å²	73	38.7 Å²	38.7	34%	0.341	18%	0.183	S	C	.	.	H	α-helix	trans	-76.5	-40.7	172.7	-62.9	-173.1	-173.5	0	0	111.9	L596 L597 A602 R603	L596-E599 WeakPolarHBondContact O-CA 3.36Å; L596-E599 WeakPolarHBondContact O-CB 3.19Å; L596-E599 PolarHBondContact O-N 3.3Å; L597-E599 VanDerWaalsContact C-N 3.31Å; L597-E599 PolarHBondContact O-N 2.61Å; E599-A602 WeakPolarHBondContact O-CB 3.26Å; E599-A602 PolarHBondContact O-N 3.02Å; E599-R603 PolarHBondContact O-N 2.83Å; E599-R603 IonicContact OE2-NH1 2.7Å
600	V	90.6	Very high	90.7	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.024	17%	0.168	C	C	.	.	H	α-helix	trans	-59.6	-49.3	177.6	179.8	0	0	0	0	111.1	P570 L596 L597 A602 R603 R604 L607	P570-V600 WeakPolarHBondContact O-CG2 3.49Å; L596-V600 WeakPolarHBondContact O-CG2 3.3Å; L596-V600 PolarHBondContact O-N 2.95Å; L597-V600 PolarHBondContact O-N 3.19Å; V600-A602 PolarHBondContact O-N 3.48Å; V600-R603 CarbonylContact O-C 3.44Å; V600-R603 WeakPolarHBondContact O-CA 3.31Å; V600-R603 PolarHBondContact O-N 2.9Å; V600-R604 PolarHBondContact O-N 2.89Å; V600-L607 HydrophobicContact CG1-CD2 3.69Å
601	V	91.3	Very high	90.8	Very high	17 Å²	17	35.7 Å²	35.7	10%	0.103	17%	0.167	C	C	.	.	H	α-helix	trans	-67.4	-23.1	179.5	177.2	0	0	0	0	112.5	V479 L597 R603 L607 L609	V479-V601 HydrophobicContact CG2-CG1 3.81Å; L597-V601 WeakPolarHBondContact O-CB 3.35Å; L597-V601 WeakPolarHBondContact O-CG2 3.28Å; L597-V601 PolarHBondContact O-N 3.41Å; V601-R603 VanDerWaalsContact C-N 3.31Å; V601-L607 HydrophobicContact CG2-CD2 4.19Å; V601-L609 HydrophobicContact CG2-CB 3.97Å; V601-L609 HydrophobicContact CG2-CD2 4.22Å
602	A	88.9	Confident	90.9	Very high	78 Å²	78	35.7 Å²	35.7	65%	0.645	17%	0.167	S	C	*	.	H	α-helix	trans	-71.3	-26.3	170.8	0	0	0	0	0	112.7	K598 E599 V600	K598-A602 PolarHBondContact O-N 3.25Å; E599-A602 WeakPolarHBondContact O-CB 3.26Å; E599-A602 PolarHBondContact O-N 3.02Å; V600-A602 PolarHBondContact O-N 3.48Å
603	R	88.6	Confident	90.8	Very high	124 Å²	124	35.7 Å²	35.7	47%	0.468	17%	0.167	S	C	.	.	H	α-helix	trans	-88.8	-51.7	174.9	-60.4	-171.9	-58.8	-103.2	7.4	111.9	P570 D571 E599 V600 V601	P570-R603 PolarHBondContact O-NH2 3.17Å; D571-R603 IonicContact OD1-CZ 3.6Å; D571-R603 IonicContact OD1-NE 3.67Å; D571-R603 PolarHBondContact OD1-NE 3.31Å; D571-R603 IonicContact OD1-NH2 2.7Å; D571-R603 PolarHBondContact OD1-NH2 3.28Å; D571-R603 IonicContact OD2-NE 3.48Å; E599-R603 PolarHBondContact O-N 2.83Å; E599-R603 IonicContact OE2-NH1 2.7Å; V600-R603 CarbonylContact O-C 3.44Å; V600-R603 WeakPolarHBondContact O-CA 3.31Å; V600-R603 PolarHBondContact O-N 2.9Å; V601-R603 VanDerWaalsContact C-N 3.31Å
604	R	90.1	Very high	90.2	Very high	30 Å²	30	36.6 Å²	36.6	11%	0.113	17%	0.174	C	C	.	.			trans	-99.8	107.7	-179.8	-80	-173.3	63.8	-157.3	3.4	112	D571 L572 D573 Y575 V600 D606 L607	D571-R604 VanDerWaalsContact O-CD 3.26Å; D571-R604 WeakPolarHBondContact O-CD 3.35Å; D571-R604 PolarHBondContact O-NH1 3.35Å; L572-R604 PolarHBondContact O-NH1 3.33Å; D573-R604 IonicContact OD1-NH1 2.62Å; Y575-R604 PolarHBondContact O-NH2 2.88Å; V600-R604 PolarHBondContact O-N 2.89Å; R604-D606 WeakPolarHBondContact CA-OD1 3.42Å; R604-D606 VanDerWaalsContact CB-OD1 3.28Å; R604-D606 WeakPolarHBondContact CB-OD1 3.12Å; R604-D606 IonicContact CZ-OD2 3Å; R604-D606 VanDerWaalsContact CZ-OD2 3.25Å; R604-D606 IonicContact NE-OD1 2.71Å; R604-D606 IonicContact NE-OD2 3.62Å; R604-D606 PolarHBondContact NE-OD2 3.48Å; R604-D606 IonicContact NH2-OD2 3.76Å; R604-D606 PolarHBondContact NH2-OD2 2.9Å; R604-L607 HydrophobicContact CB-CB 4.18Å
605	R	86.5	Confident	89.3	Confident	202 Å²	202	37.3 Å²	37.3	76%	0.762	18%	0.179	S	C	*	.	S	Bend	trans	-85.8	-15.7	178	-64.1	-175.5	178.5	-168	-1.4	113.9	S478	S478-R605 PolarHBondContact OG-O 3.15Å
606	D	90.7	Very high	87.9	Confident	95 Å²	95	45.7 Å²	45.7	51%	0.508	22%	0.22	S	C	.	.	S	Bend	trans	-70.7	-42.2	175	53.5	-60.3	0	0	0	111.7	R604	R604-D606 WeakPolarHBondContact CA-OD1 3.42Å; R604-D606 VanDerWaalsContact CB-OD1 3.28Å; R604-D606 WeakPolarHBondContact CB-OD1 3.12Å; R604-D606 IonicContact CZ-OD2 3Å; R604-D606 VanDerWaalsContact CZ-OD2 3.25Å; R604-D606 IonicContact NE-OD1 2.71Å; R604-D606 IonicContact NE-OD2 3.62Å; R604-D606 PolarHBondContact NE-OD2 3.48Å; R604-D606 IonicContact NH2-OD2 3.76Å; R604-D606 PolarHBondContact NH2-OD2 2.9Å
607	L	92.8	Very high	87	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.224	C	C	.	.			trans	-60.3	133.7	177.3	-177.1	65.7	0	0	0	111.6	V578 V600 V601 R604	V578-L607 HydrophobicContact CG2-CD1 4.26Å; V600-L607 HydrophobicContact CG1-CD2 3.69Å; V601-L607 HydrophobicContact CG2-CD2 4.19Å; R604-L607 HydrophobicContact CB-CB 4.18Å
608	R	94	Very high	86.4	Confident	47 Å²	47	46.7 Å²	46.7	18%	0.177	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	120.5	173.4	-57.6	-55	176.2	126.6	2.5	111.8	I474 R475 N477 S478 Y503 S576 A577 V578	I474-R608 PolarHBondContact O-NH1 2.88Å; R475-R608 VanDerWaalsContact C-NH1 3.33Å; R475-R608 PolarHBondContact O-NH1 2.99Å; R475-R608 PolarHBondContact O-NH2 3.02Å; R475-R608 VanDerWaalsContact O-NH2 3.14Å; N477-R608 PolarHBondContact O-NH1 2.87Å; S478-R608 WeakPolarHBondContact O-CA 3.3Å; Y503-R608 HydrophobicContact CD1-CG 4.49Å; Y503-R608 HydrophobicContact CE1-CG 3.66Å; S576-R608 PolarHBondContact O-N 2.75Å; S576-R608 VanDerWaalsContact O-N 3.15Å; A577-R608 CarbonylContact C-O 3.49Å; A577-R608 VanDerWaalsContact CA-O 3.29Å; A577-R608 WeakPolarHBondContact CA-O 3.46Å; A577-R608 HydrophobicContact CB-CB 4.25Å; V578-R608 PolarHBondContact N-O 3.39Å
609	L	95.1	Very high	86.2	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.7	176.7	177.1	62.2	0	0	0	110.4	S478 V479 T480 V578 M580 L597 V601 V611 F625	S478-L609 PolarHBondContact O-N 3.33Å; V479-L609 CarbonylContact C-O 3.52Å; V479-L609 WeakPolarHBondContact CA-O 3.36Å; V479-L609 HydrophobicContact CG1-CB 4.27Å; V479-L609 HydrophobicContact CG1-CD2 4.11Å; V479-L609 HydrophobicContact CG1-CG 4.16Å; V479-L609 HydrophobicContact CG2-CB 4.36Å; V479-L609 HydrophobicContact CG2-CD2 4.44Å; T480-L609 PolarHBondContact N-O 3.24Å; V578-L609 HydrophobicContact CB-CD1 4.43Å; V578-L609 HydrophobicContact CG1-CD1 4.27Å; V578-L609 WeakPolarHBondContact O-CA 3.12Å; M580-L609 HydrophobicContact CG-CD1 3.89Å; L597-L609 HydrophobicContact CB-CD2 4.06Å; L597-L609 HydrophobicContact CD1-CD1 3.97Å; V601-L609 HydrophobicContact CG2-CB 3.97Å; V601-L609 HydrophobicContact CG2-CD2 4.22Å; L609-V611 HydrophobicContact CG-CG2 4.37Å; L609-F625 HydrophobicContact CD2-CD1 4.3Å; L609-F625 HydrophobicContact CD2-CE1 3.65Å; L609-F625 HydrophobicContact CD2-CZ 3.83Å
610	I	95	Very high	86.2	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.9	178.1	-55.9	157.7	0	0	0	109	I474 T480 V482 L494 L498 V578 I579 M580	I474-I610 HydrophobicContact CD1-CD1 3.84Å; I474-I610 HydrophobicContact CD1-CG1 4.48Å; I474-I610 HydrophobicContact CG1-CD1 4.14Å; I474-I610 HydrophobicContact CG1-CG1 4.36Å; I474-I610 HydrophobicContact CG2-CD1 4.03Å; T480-I610 WeakPolarHBondContact O-CA 3.28Å; V482-I610 HydrophobicContact CB-CG2 4.38Å; V482-I610 HydrophobicContact CG2-CG2 3.67Å; L494-I610 HydrophobicContact CD1-CD1 4.38Å; L494-I610 HydrophobicContact CD2-CB 4.46Å; L494-I610 HydrophobicContact CD2-CG2 3.76Å; L498-I610 HydrophobicContact CD1-CD1 3.79Å; L498-I610 HydrophobicContact CD2-CD1 4.11Å; L498-I610 HydrophobicContact CG-CD1 4.45Å; V578-I610 PolarHBondContact O-N 2.82Å; I579-I610 CarbonylContact C-O 3.38Å; I579-I610 WeakPolarHBondContact CA-O 3.46Å; I579-I610 HydrophobicContact CG1-CB 4.3Å; I579-I610 HydrophobicContact CG1-CD1 4.28Å; M580-I610 PolarHBondContact N-O 3.5Å
611	V	94.2	Very high	86	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	107.4	-177.9	-176.6	0	0	0	0	108.6	T480 V481 V482 A583 F594 L609 F621 F625	T480-V611 PolarHBondContact O-N 3.49Å; V481-V611 WeakPolarHBondContact CA-O 3.5Å; V482-V611 PolarHBondContact N-O 3.44Å; A583-V611 HydrophobicContact CB-CG1 3.65Å; F594-V611 HydrophobicContact CE1-CG1 4.07Å; F594-V611 HydrophobicContact CE1-CG2 4.25Å; F594-V611 HydrophobicContact CZ-CG1 4.18Å; L609-V611 HydrophobicContact CG-CG2 4.37Å; V611-F621 HydrophobicContact CG1-CD1 3.83Å; V611-F621 HydrophobicContact CG1-CE1 4.25Å; V611-F621 HydrophobicContact CG1-CG 4.38Å; V611-F625 HydrophobicContact CG2-CE2 3.89Å; V611-F625 HydrophobicContact CG2-CZ 4.48Å
612	T	91.7	Very high	85.9	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134.8	-178	30.4	0	0	0	0	112.7	V482 K490 L494 M580 D581 E582 A583	V482-T612 HydrophobicContact CB-CG2 3.67Å; V482-T612 HydrophobicContact CG1-CG2 3.91Å; V482-T612 VanDerWaalsContact O-CA 3.3Å; V482-T612 WeakPolarHBondContact O-CA 3.34Å; K490-T612 HydrophobicContact CB-CG2 4.2Å; K490-T612 HydrophobicContact CD-CG2 4.09Å; L494-T612 HydrophobicContact CD2-CG2 3.73Å; M580-T612 PolarHBondContact O-N 3.1Å; M580-T612 PolarHBondContact O-OG1 3.27Å; D581-T612 VanDerWaalsContact CA-OG1 3.27Å; D581-T612 WeakPolarHBondContact CA-OG1 3.5Å; D581-T612 WeakPolarHBondContact CB-OG1 3.32Å; D581-T612 VanDerWaalsContact CG-OG1 3.27Å; D581-T612 WeakPolarHBondContact OD1-CB 3.33Å; D581-T612 PolarHBondContact OD1-OG1 3.05Å; E582-T612 PolarHBondContact N-O 2.94Å; A583-T612 WeakPolarHBondContact CB-O 3.43Å; A583-T612 PolarHBondContact N-O 3.4Å; A583-T612 VanDerWaalsContact N-O 3.08Å
613	S	86.6	Confident	86	Confident	0 Å²	0	52 Å²	52	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	153.5	178.8	-173.2	0	0	0	0	112.9	V482 G484 K490 H584 T615	V482-S613 PolarHBondContact O-N 3.48Å; G484-S613 PolarHBondContact N-O 2.85Å; K490-S613 VanDerWaalsContact CE-O 3.28Å; K490-S613 WeakPolarHBondContact CE-O 3.38Å; H584-S613 PolarHBondContact ND1-OG 3.45Å; S613-T615 PolarHBondContact OG-N 2.92Å; S613-T615 VanDerWaalsContact OG-N 3.12Å; S613-T615 PolarHBondContact OG-O 3.49Å; S613-T615 PolarHBondContact OG-OG1 3.37Å
614	A	79.8	Confident	86	Confident	19 Å²	19	47.1 Å²	47.1	16%	0.157	22%	0.222	C	C	.	.	S	Bend	trans	-98.6	-3.9	170.5	0	0	0	0	0	113.3	G484 T486 H584	G484-A614 WeakPolarHBondContact O-CA 3.3Å; T486-A614 HydrophobicContact CG2-CB 3.91Å; H584-A614 PolarHBondContact CE1-N 2.81Å; H584-A614 PolarHBondContact ND1-N 3.4Å
615	T	72.9	Confident	86	Confident	15 Å²	15	46.9 Å²	46.9	9%	0.092	22%	0.222	C	C	.	.	S	Bend	trans	-118.4	156	-174	66.4	0	0	0	0	112	H584 S613 D617 A777 Q781	H584-T615 HydrophobicContact CB-CG2 3.96Å; H584-T615 WeakPolarHBondContact CB-OG1 3.2Å; S613-T615 PolarHBondContact OG-N 2.92Å; S613-T615 VanDerWaalsContact OG-N 3.12Å; S613-T615 PolarHBondContact OG-O 3.49Å; S613-T615 PolarHBondContact OG-OG1 3.37Å; T615-D617 VanDerWaalsContact C-N 3.32Å; T615-D617 PolarHBondContact O-N 2.98Å; T615-A777 HydrophobicContact CG2-CB 4.03Å; T615-Q781 HydrophobicContact CG2-CG 4.36Å
616	M	58.9	Low	86	Confident	177 Å²	177	40 Å²	40	87%	0.872	21%	0.214	S	C	*	.	S	Bend	trans	-80.7	2.7	-172.2	-67.5	177.6	66.6	0	0	115.4	A618	M616-A618 PolarHBondContact O-N 3.1Å
617	D	70.8	Confident	85.8	Confident	32 Å²	32	41.8 Å²	41.8	17%	0.171	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	32.8	177.6	-156.4	10.3	0	0	0	112.7	T615 Q619 K620 F621 N810	T615-D617 VanDerWaalsContact C-N 3.32Å; T615-D617 PolarHBondContact O-N 2.98Å; D617-Q619 PolarHBondContact O-N 2.9Å; D617-K620 PolarHBondContact O-N 3.35Å; D617-K620 WeakPolarHBondContact OD1-CD 3.36Å; D617-K620 WeakPolarHBondContact OD1-CE 3.43Å; D617-K620 WeakPolarHBondContact OD1-CG 3.49Å; D617-K620 IonicContact OD1-NZ 2.65Å; D617-K620 WeakPolarHBondContact OD2-CD 3.25Å; D617-K620 VanDerWaalsContact OD2-CE 3.3Å; D617-K620 WeakPolarHBondContact OD2-CE 3.34Å; D617-K620 IonicContact OD2-NZ 2.82Å; D617-K620 PolarHBondContact OD2-NZ 2.83Å; D617-F621 VanDerWaalsContact O-CD2 3.3Å; D617-F621 WeakPolarHBondContact O-CD2 3.47Å; D617-N810 WeakPolarHBondContact CB-ND2 3.48Å; D617-N810 PolarHBondContact OD2-ND2 3.2Å
618	A	79.4	Confident	85.7	Confident	6 Å²	6	42.7 Å²	42.7	5%	0.05	23%	0.229	C	C	.	.	H	α-helix	trans	-67	-24.3	-174.6	0	0	0	0	0	113.2	V481 V483 M616 F621 A622 V630	V481-A618 HydrophobicContact CG1-CB 4.23Å; V483-A618 HydrophobicContact CG2-CB 3.38Å; M616-A618 PolarHBondContact O-N 3.1Å; A618-F621 PolarHBondContact O-N 2.94Å; A618-A622 PolarHBondContact O-N 2.87Å; A618-V630 HydrophobicContact CB-CG1 3.7Å; A618-V630 HydrophobicContact CB-CG2 4.26Å
619	Q	85.1	Confident	85.7	Confident	145 Å²	145	42.8 Å²	42.8	68%	0.678	24%	0.236	S	C	*	.	H	α-helix	trans	-61.4	-45.9	177.5	-72.9	169.6	-31.1	0	0	111	D617 F621 A622 D623	D617-Q619 PolarHBondContact O-N 2.9Å; Q619-F621 VanDerWaalsContact C-N 3.31Å; Q619-F621 PolarHBondContact O-N 3.35Å; Q619-A622 WeakPolarHBondContact O-CB 3.27Å; Q619-A622 PolarHBondContact O-N 2.87Å; Q619-A622 VanDerWaalsContact O-N 3.09Å; Q619-D623 WeakPolarHBondContact O-CB 3.25Å; Q619-D623 PolarHBondContact O-N 2.83Å
620	K	86.5	Confident	85.5	Confident	86 Å²	86	45.5 Å²	45.5	37%	0.374	25%	0.252	S	S	.	.	H	α-helix	trans	-60.8	-38.1	176.4	-67.1	-177.8	-163.1	157.4	0	113.3	D617 F624	D617-K620 PolarHBondContact O-N 3.35Å; D617-K620 WeakPolarHBondContact OD1-CD 3.36Å; D617-K620 WeakPolarHBondContact OD1-CE 3.43Å; D617-K620 WeakPolarHBondContact OD1-CG 3.49Å; D617-K620 IonicContact OD1-NZ 2.65Å; D617-K620 WeakPolarHBondContact OD2-CD 3.25Å; D617-K620 VanDerWaalsContact OD2-CE 3.3Å; D617-K620 WeakPolarHBondContact OD2-CE 3.34Å; D617-K620 IonicContact OD2-NZ 2.82Å; D617-K620 PolarHBondContact OD2-NZ 2.83Å; K620-F624 WeakPolarHBondContact O-CB 3.5Å; K620-F624 PolarHBondContact O-N 2.94Å
621	F	87.9	Confident	85.4	Confident	5 Å²	5	46.7 Å²	46.7	2%	0.022	26%	0.257	C	S	.	.	H	α-helix	trans	-65.6	-43.6	174.7	-66.3	-79.8	0	0	0	111.1	V481 A583 F594 V611 D617 A618 Q619 F625 M841	V481-F621 HydrophobicContact CG1-CB 4.1Å; V481-F621 HydrophobicContact CG2-CB 3.94Å; A583-F621 HydrophobicContact CB-CE1 3.91Å; A583-F621 HydrophobicContact CB-CZ 4.03Å; F594-F621 AromaticContact CE2-CE1 3.85Å; F594-F621 HydrophobicContact CE2-CE1 3.85Å; F594-F621 HydrophobicContact CZ-CD1 4.46Å; F594-F621 AromaticContact CZ-CE1 3.97Å; F594-F621 HydrophobicContact CZ-CE1 3.97Å; V611-F621 HydrophobicContact CG1-CD1 3.83Å; V611-F621 HydrophobicContact CG1-CE1 4.25Å; V611-F621 HydrophobicContact CG1-CG 4.38Å; D617-F621 VanDerWaalsContact O-CD2 3.3Å; D617-F621 WeakPolarHBondContact O-CD2 3.47Å; A618-F621 PolarHBondContact O-N 2.94Å; Q619-F621 VanDerWaalsContact C-N 3.31Å; Q619-F621 PolarHBondContact O-N 3.35Å; F621-F625 VanDerWaalsContact O-CD2 3.31Å; F621-F625 WeakPolarHBondContact O-CD2 3.46Å; F621-F625 PolarHBondContact O-N 3.5Å; F621-M841 HydrophobicContact CD1-CE 3.59Å; F621-M841 HydrophobicContact CD1-SD 4.04Å; F621-M841 HydrophobicContact CE1-CE 3.88Å; F621-M841 HydrophobicContact CE1-SD 3.93Å
622	A	89.6	Confident	85.2	Confident	6 Å²	6	51.1 Å²	51.1	5%	0.05	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-52	176.3	0	0	0	0	0	112.2	A618 Q619 F624 F625 G626 N627 V628 V630	A618-A622 PolarHBondContact O-N 2.87Å; Q619-A622 WeakPolarHBondContact O-CB 3.27Å; Q619-A622 PolarHBondContact O-N 2.87Å; Q619-A622 VanDerWaalsContact O-N 3.09Å; A622-F624 VanDerWaalsContact C-N 3.33Å; A622-F624 PolarHBondContact O-N 3.3Å; A622-F625 PolarHBondContact O-N 3.1Å; A622-G626 PolarHBondContact O-N 3.37Å; A622-G626 VanDerWaalsContact O-N 3.11Å; A622-N627 WeakPolarHBondContact O-CA 3.24Å; A622-N627 PolarHBondContact O-N 3.08Å; A622-V628 VanDerWaalsContact CB-O 3.29Å; A622-V628 WeakPolarHBondContact CB-O 3.47Å; A622-V628 PolarHBondContact O-N 3.02Å; A622-V630 HydrophobicContact CB-CG2 3.74Å
623	D	89.9	Confident	85.1	Confident	99 Å²	99	51.2 Å²	51.2	53%	0.529	29%	0.285	S	S	.	.	H	α-helix	trans	-57.9	-45.2	178.8	-62	-15.1	0	0	0	110.8	Q619 F625 G626	Q619-D623 WeakPolarHBondContact O-CB 3.25Å; Q619-D623 PolarHBondContact O-N 2.83Å; D623-F625 VanDerWaalsContact C-N 3.35Å; D623-F625 PolarHBondContact O-N 3.07Å; D623-G626 PolarHBondContact O-N 2.69Å
624	F	89.3	Confident	84.9	Confident	23 Å²	23	55.5 Å²	55.5	10%	0.101	31%	0.313	C	S	.	.	H	α-helix	trans	-59.4	-42.2	179.6	175.5	-96.4	0	0	0	112.7	F594 K598 K620 A622 G626 H839 M841	F594-F624 HydrophobicContact CB-CE1 3.88Å; F594-F624 HydrophobicContact CB-CZ 4.28Å; F594-F624 WeakPolarHBondContact O-CE1 3.06Å; K598-F624 HydrophobicContact CB-CE1 4.26Å; K598-F624 HydrophobicContact CD-CD1 4.39Å; K598-F624 HydrophobicContact CD-CE1 3.81Å; K598-F624 HydrophobicContact CD-CE2 4.37Å; K598-F624 HydrophobicContact CD-CZ 3.81Å; K598-F624 VanDerWaalsContact CE-O 3.31Å; K598-F624 WeakPolarHBondContact CE-O 3.16Å; K598-F624 PolarHBondContact NZ-O 3.48Å; K620-F624 WeakPolarHBondContact O-CB 3.5Å; K620-F624 PolarHBondContact O-N 2.94Å; A622-F624 VanDerWaalsContact C-N 3.33Å; A622-F624 PolarHBondContact O-N 3.3Å; F624-G626 VanDerWaalsContact C-N 3.32Å; F624-H839 HydrophobicContact CE2-CB 4.1Å; F624-H839 WeakPolarHBondContact CE2-O 3.35Å; F624-H839 HydrophobicContact CZ-CB 4.1Å; F624-H839 WeakPolarHBondContact CZ-O 3.14Å; F624-M841 HydrophobicContact CB-CE 4.04Å; F624-M841 HydrophobicContact CB-CG 4.34Å; F624-M841 HydrophobicContact CD1-CE 3.7Å; F624-M841 HydrophobicContact CD2-CB 3.83Å; F624-M841 HydrophobicContact CD2-CE 4.43Å; F624-M841 HydrophobicContact CD2-CG 4.05Å; F624-M841 HydrophobicContact CE1-CE 4.29Å; F624-M841 HydrophobicContact CE2-CB 3.98Å; F624-M841 HydrophobicContact CG-CB 4.31Å; F624-M841 HydrophobicContact CG-CE 3.78Å; F624-M841 HydrophobicContact CG-CG 4.18Å
625	F	89.2	Confident	84.2	Confident	25 Å²	25	56.3 Å²	56.3	11%	0.11	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	2.9	177	-71.5	-70.8	0	0	0	114	V479 F594 K598 L609 V611 F621 A622 D623 V628	V479-F625 HydrophobicContact CG1-CB 4.25Å; V479-F625 HydrophobicContact CG1-CD1 4.45Å; V479-F625 HydrophobicContact CG1-CD2 4.31Å; V479-F625 HydrophobicContact CG1-CG 4.09Å; F594-F625 HydrophobicContact CB-CZ 4.18Å; F594-F625 HydrophobicContact CD1-CE2 4.18Å; F594-F625 AromaticContact CD1-CZ 3.84Å; F594-F625 HydrophobicContact CD1-CZ 3.84Å; F594-F625 HydrophobicContact CG-CZ 4.32Å; K598-F625 HydrophobicContact CB-CD1 4.13Å; K598-F625 HydrophobicContact CB-CE1 3.88Å; K598-F625 HydrophobicContact CG-CD1 4.31Å; L609-F625 HydrophobicContact CD2-CD1 4.3Å; L609-F625 HydrophobicContact CD2-CE1 3.65Å; L609-F625 HydrophobicContact CD2-CZ 3.83Å; V611-F625 HydrophobicContact CG2-CE2 3.89Å; V611-F625 HydrophobicContact CG2-CZ 4.48Å; F621-F625 VanDerWaalsContact O-CD2 3.31Å; F621-F625 WeakPolarHBondContact O-CD2 3.46Å; F621-F625 PolarHBondContact O-N 3.5Å; A622-F625 PolarHBondContact O-N 3.1Å; D623-F625 VanDerWaalsContact C-N 3.35Å; D623-F625 PolarHBondContact O-N 3.07Å; F625-V628 HydrophobicContact CB-CB 4.36Å; F625-V628 HydrophobicContact CB-CG2 3.47Å; F625-V628 VanDerWaalsContact CB-CG2 3.47Å
626	G	86.4	Confident	84.1	Confident	58 Å²	58	59.1 Å²	59.1	60%	0.598	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.4	48.3	175	0	0	0	0	0	114.5	A622 D623 F624	A622-G626 PolarHBondContact O-N 3.37Å; A622-G626 VanDerWaalsContact O-N 3.11Å; D623-G626 PolarHBondContact O-N 2.69Å; F624-G626 VanDerWaalsContact C-N 3.32Å
627	N	87.1	Confident	84.5	Confident	132 Å²	132	52.2 Å²	52.2	71%	0.706	30%	0.3	S	S	*	.	S	Bend	trans	62.4	44.2	179.7	-56.8	5.3	0	0	0	113.3	A622	A622-N627 WeakPolarHBondContact O-CA 3.24Å; A622-N627 PolarHBondContact O-N 3.08Å
628	V	91	Very high	85.1	Confident	18 Å²	18	53.2 Å²	53.2	11%	0.109	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-64.2	143.9	178.7	169.2	0	0	0	0	112	V479 V481 A622 F625 V630	V479-V628 HydrophobicContact CB-CG1 3.89Å; V479-V628 HydrophobicContact CB-CG2 3.85Å; V479-V628 HydrophobicContact CG1-CG1 3.92Å; V479-V628 HydrophobicContact CG1-CG2 4.13Å; V479-V628 WeakPolarHBondContact O-CG1 3.43Å; V481-V628 HydrophobicContact CG2-CG1 4.18Å; A622-V628 VanDerWaalsContact CB-O 3.29Å; A622-V628 WeakPolarHBondContact CB-O 3.47Å; A622-V628 PolarHBondContact O-N 3.02Å; F625-V628 HydrophobicContact CB-CB 4.36Å; F625-V628 HydrophobicContact CB-CG2 3.47Å; F625-V628 VanDerWaalsContact CB-CG2 3.47Å; V628-V630 PolarHBondContact O-N 3.04Å
629	P	92.7	Very high	85.4	Confident	49 Å²	49	57.3 Å²	57.3	32%	0.318	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-57.9	131.9	175.6	22.2	-34.4	0	0	0	113.2	V473 N477 V481	V473-P629 HydrophobicContact CG1-CB 4.23Å; V473-P629 HydrophobicContact CG1-CG 4.16Å; N477-P629 HydrophobicContact CB-CG 4.15Å; V481-P629 PolarHBondContact N-O 3.31Å; V481-P629 VanDerWaalsContact N-O 3.1Å
630	V	92.1	Very high	85.6	Confident	59 Å²	59	51.6 Å²	51.6	36%	0.358	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	116.1	172.4	-177.7	0	0	0	0	109	V481 V483 A618 A622 V628 V632	V481-V630 HydrophobicContact CB-CG2 4.24Å; V481-V630 HydrophobicContact CG1-CG2 4.47Å; V481-V630 CarbonylContact O-C 3.54Å; V481-V630 WeakPolarHBondContact O-CA 3.42Å; V483-V630 HydrophobicContact CG2-CG1 3.59Å; A618-V630 HydrophobicContact CB-CG1 3.7Å; A618-V630 HydrophobicContact CB-CG2 4.26Å; A622-V630 HydrophobicContact CB-CG2 3.74Å; V628-V630 PolarHBondContact O-N 3.04Å; V630-V632 HydrophobicContact CG1-CG2 4.14Å
631	F	92.2	Very high	85.9	Confident	26 Å²	26	53.2 Å²	53.2	11%	0.114	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	121.3	172.5	-166.9	-92	0	0	0	110.1	V466 Q469 L470 V473 V481 V482 V483 I633	V466-F631 HydrophobicContact CB-CE1 4.06Å; V466-F631 HydrophobicContact CB-CZ 3.97Å; V466-F631 HydrophobicContact CG2-CE1 3.99Å; V466-F631 HydrophobicContact CG2-CZ 4.41Å; Q469-F631 HydrophobicContact CB-CE2 3.9Å; Q469-F631 HydrophobicContact CB-CZ 3.91Å; L470-F631 HydrophobicContact CB-CD1 4.25Å; L470-F631 HydrophobicContact CB-CE1 3.89Å; L470-F631 HydrophobicContact CB-CZ 4.14Å; L470-F631 HydrophobicContact CD1-CD1 3.79Å; L470-F631 HydrophobicContact CD1-CE1 4.28Å; L470-F631 HydrophobicContact CD1-CG 4.15Å; V473-F631 HydrophobicContact CG2-CD2 4.08Å; V481-F631 PolarHBondContact O-N 3.44Å; V482-F631 WeakPolarHBondContact CA-O 3.45Å; V483-F631 PolarHBondContact N-O 3.47Å; F631-I633 HydrophobicContact CD1-CG1 4.23Å; F631-I633 HydrophobicContact CE1-CG1 4.19Å
632	V	90.9	Very high	86.2	Confident	93 Å²	93	56 Å²	56	56%	0.564	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	117.5	180	-174.6	0	0	0	0	109.8	V483 V630 P634	V483-V632 HydrophobicContact CB-CG2 4.3Å; V630-V632 HydrophobicContact CG1-CG2 4.14Å; V632-P634 WeakPolarHBondContact O-CD 3.36Å
633	I	88.2	Confident	86.5	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.015	34%	0.341	C	S	.	.			trans	-79.4	117.3	171.9	-59	161.2	0	0	0	107.7	P462 V463 V466 V482 V483 K490 F631	P462-I633 HydrophobicContact CB-CG2 4.09Å; V463-I633 HydrophobicContact CB-CD1 4.22Å; V463-I633 HydrophobicContact CB-CG2 4.41Å; V463-I633 HydrophobicContact CG2-CD1 3.76Å; V463-I633 HydrophobicContact CG2-CG1 4.38Å; V466-I633 HydrophobicContact CG2-CG1 4.18Å; V466-I633 HydrophobicContact CG2-CG2 4.12Å; V482-I633 HydrophobicContact CG1-CD1 3.77Å; V482-I633 HydrophobicContact CG1-CG1 4.39Å; V483-I633 PolarHBondContact O-N 2.64Å; K490-I633 HydrophobicContact CD-CD1 4.33Å; K490-I633 HydrophobicContact CG-CD1 3.87Å; F631-I633 HydrophobicContact CD1-CG1 4.23Å; F631-I633 HydrophobicContact CE1-CG1 4.19Å
634	P	82.4	Confident	86.7	Confident	90 Å²	90	57.5 Å²	57.5	58%	0.584	33%	0.33	S	S	*	.			trans	-76.4	127.5	-176.1	29.7	-33.6	0	0	0	112	V466 V632	V466-P634 HydrophobicContact CG1-CG 4.4Å; V632-P634 WeakPolarHBondContact O-CD 3.36Å
635	G	66.8	Low	86.9	Confident	35 Å²	35	58 Å²	58	36%	0.361	34%	0.337	S	S	.	.			trans	89.6	166.1	163.7	0	0	0	0	0	117.2
636	R	69.4	Low	87	Confident	74 Å²	74	66.2 Å²	66.2	28%	0.279	37%	0.372	S	S	.	.			trans	-95.3	168.1	170.9	-52.8	-172	-179.6	-162.1	-8.5	110.2	E485 F638	E485-R636 HydrophobicContact CB-CG 4.02Å; E485-R636 VanDerWaalsContact CD-NE 3.34Å; E485-R636 HydrophobicContact CG-CG 4.43Å; E485-R636 IonicContact OE1-CZ 2.88Å; E485-R636 IonicContact OE1-NE 2.74Å; E485-R636 PolarHBondContact OE1-NE 3.1Å; E485-R636 IonicContact OE1-NH2 2.75Å; E485-R636 PolarHBondContact OE1-NH2 2.96Å; E485-R636 WeakPolarHBondContact OE2-CG 3.35Å; E485-R636 IonicContact OE2-NE 3.17Å; R636-F638 VanDerWaalsContact C-N 3.32Å; R636-F638 VanDerWaalsContact CB-O 3.28Å; R636-F638 WeakPolarHBondContact CB-O 3.43Å
637	T	68.3	Low	87.3	Confident	33 Å²	33	69.2 Å²	69.2	20%	0.202	38%	0.375	C	S	.	.	S	Bend	trans	-63	-41	166.3	-32.2	0	0	0	0	111	G487	G487-T637 PolarHBondContact O-OG1 2.9Å
638	F	82.6	Confident	87.6	Confident	53 Å²	53	65.8 Å²	65.8	23%	0.232	36%	0.359	C	S	.	.	S	Bend	trans	-145.7	155.1	177.5	-59.6	-81.5	0	0	0	112.4	F448 R636 G787 T789 G790	F448-F638 HydrophobicContact CD2-CZ 4.4Å; F448-F638 HydrophobicContact CE2-CZ 4.45Å; R636-F638 VanDerWaalsContact C-N 3.32Å; R636-F638 VanDerWaalsContact CB-O 3.28Å; R636-F638 WeakPolarHBondContact CB-O 3.43Å; F638-G787 PolarHBondContact N-O 2.8Å; F638-G787 VanDerWaalsContact N-O 3.09Å; F638-T789 WeakPolarHBondContact CE2-O 3.43Å; F638-G790 WeakPolarHBondContact CB-O 3.43Å; F638-G790 VanDerWaalsContact CD2-N 3.32Å
639	P	86.6	Confident	87.6	Confident	92 Å²	92	66.3 Å²	66.3	60%	0.597	36%	0.362	S	S	*	.			trans	-70.2	160.4	176.2	30.5	-36.3	0	0	0	112.7	P791 G792	P639-P791 HydrophobicContact CG-CB 4.28Å; P639-G792 PolarHBondContact O-N 3.09Å
640	V	88.1	Confident	87.4	Confident	25 Å²	25	71.6 Å²	71.6	15%	0.152	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	123.9	174.8	-177.4	0	0	0	0	110	A786 G787 G792 C794	V640-A786 HydrophobicContact CG1-CB 4.12Å; V640-A786 HydrophobicContact CG2-CB 4.16Å; V640-G787 VanDerWaalsContact CG2-N 3.27Å; V640-G792 CarbonylContact C-O 3.44Å; V640-G792 VanDerWaalsContact CA-O 3.29Å; V640-G792 WeakPolarHBondContact CA-O 2.96Å; V640-C794 HydrophobicContact CG1-CB 4.04Å
641	E	93.8	Very high	87.4	Confident	119 Å²	119	69.9 Å²	69.9	56%	0.556	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	136.2	171.6	-56.6	-178.8	144.2	0	0	109.8	G792 Q793 C794	E641-G792 PolarHBondContact N-O 2.91Å; E641-Q793 HydrophobicContact CB-CG 4.26Å; E641-Q793 CarbonylContact O-C 3.6Å; E641-Q793 WeakPolarHBondContact O-CA 3.38Å; E641-Q793 PolarHBondContact OE2-NE2 3.47Å; E641-C794 PolarHBondContact O-N 3.45Å
642	I	94.2	Very high	87.4	Confident	64 Å²	64	68.9 Å²	68.9	33%	0.328	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	117.9	-177.5	-56.8	178.6	0	0	0	109.5	R796	I642-R796 HydrophobicContact CG2-CG 4.41Å
643	M	94.8	Very high	87.6	Confident	71 Å²	71	64.5 Å²	64.5	35%	0.35	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.6	176.2	-71.9	172.9	-89.5	0	0	109.5	Q793 C794 Y795 R796	M643-Q793 HydrophobicContact CE-CB 3.89Å; M643-Q793 HydrophobicContact CE-CG 4.14Å; M643-C794 PolarHBondContact N-O 3.49Å; M643-Y795 HydrophobicContact CB-CD1 4.13Å; M643-Y795 HydrophobicContact CE-CD1 3.92Å; M643-Y795 HydrophobicContact CE-CE1 3.31Å; M643-Y795 HydrophobicContact CE-CE2 4.21Å; M643-Y795 HydrophobicContact SD-CD1 4.1Å; M643-Y795 HydrophobicContact SD-CE1 3.57Å; M643-Y795 VanDerWaalsContact SD-CE1 3.57Å; M643-R796 PolarHBondContact O-N 3.29Å
644	H	94.7	Very high	87.8	Confident	65 Å²	65	69.4 Å²	69.4	30%	0.301	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	152.3	174.2	-66	90.9	0	0	0	110.5	R796 E800	H644-R796 CarbonylContact C-O 3.58Å; H644-R796 PolarHBondContact NE2-NH1 2.85Å; H644-E800 HydrophobicContact CB-CB 4.36Å
645	S	93.7	Very high	88.4	Confident	34 Å²	34	66.3 Å²	66.3	24%	0.238	34%	0.344	C	S	.	.			trans	-61	144.5	168.9	-176.2	0	0	0	0	110.6	N647 R796 Y798 T799	S645-N647 WeakPolarHBondContact CB-O 3.49Å; S645-N647 PolarHBondContact OG-N 3.16Å; S645-N647 PolarHBondContact OG-O 3.35Å; S645-R796 PolarHBondContact N-O 3.26Å; S645-Y798 PolarHBondContact N-O 3.12Å; S645-Y798 VanDerWaalsContact N-O 3.17Å; S645-T799 WeakPolarHBondContact O-CA 3.3Å
646	K	91.9	Very high	89.8	Confident	197 Å²	197	64.6 Å²	64.6	86%	0.857	33%	0.327	S	S	*	.	S	Bend	trans	-76.7	-30.2	174.1	-64.4	-174.9	-179.7	-179.1	0	112.4
647	N	92.6	Very high	91	Very high	121 Å²	121	61.4 Å²	61.4	65%	0.647	32%	0.316	S	S	*	.	S	Bend	trans	-121.2	159	-176.6	-61.6	5	0	0	0	110.2	S645	S645-N647 WeakPolarHBondContact CB-O 3.49Å; S645-N647 PolarHBondContact OG-N 3.16Å; S645-N647 PolarHBondContact OG-O 3.35Å
648	V	91.8	Very high	92.2	Very high	61 Å²	61	67 Å²	67	37%	0.37	34%	0.337	S	S	.	.			trans	-62	138.5	167.6	179	0	0	0	0	109.4	D370 I374	D370-V648 HydrophobicContact CB-CG1 4.27Å; I374-V648 HydrophobicContact CD1-CG1 3.99Å
649	V	91.4	Very high	92.8	Very high	28 Å²	28	66.6 Å²	66.6	17%	0.17	34%	0.336	C	S	.	.			trans	-108.9	109.8	-178.7	173.9	0	0	0	0	109.2	D651 A655 L797	V649-D651 WeakPolarHBondContact CG1-O 3.36Å; V649-A655 HydrophobicContact CG1-CB 3.49Å; V649-A655 VanDerWaalsContact CG1-CB 3.49Å; V649-L797 WeakPolarHBondContact CB-O 3.46Å; V649-L797 WeakPolarHBondContact CG2-O 3.44Å
650	E	89.1	Confident	93.2	Very high	161 Å²	161	62.2 Å²	62.2	75%	0.752	31%	0.308	S	S	*	.	S	Bend	trans	-71.5	-41.6	178.8	-60.2	-165.9	158.1	0	0	112.7	I374	I374-E650 WeakPolarHBondContact CG2-O 3.34Å
651	D	92.1	Very high	93.4	Very high	23 Å²	23	62 Å²	62	12%	0.123	31%	0.306	C	S	.	.			trans	-110.6	99.2	175.1	-157.1	-46.8	0	0	0	112	S379 A380 A381 V649 V653 E654 A655	S379-D651 WeakPolarHBondContact CB-OD1 3.44Å; S379-D651 PolarHBondContact OG-OD1 3.35Å; S379-D651 PolarHBondContact OG-OD2 2.72Å; A380-D651 WeakPolarHBondContact CA-OD2 3.31Å; A380-D651 PolarHBondContact N-OD2 2.9Å; A381-D651 PolarHBondContact N-OD2 3.3Å; V649-D651 WeakPolarHBondContact CG1-O 3.36Å; D651-V653 VanDerWaalsContact C-N 3.29Å; D651-V653 PolarHBondContact O-N 3.24Å; D651-V653 WeakPolarHBondContact OD1-CB 3.47Å; D651-V653 PolarHBondContact OD1-N 2.73Å; D651-E654 HydrophobicContact CB-CB 4.4Å; D651-E654 PolarHBondContact OD1-N 2.87Å; D651-A655 WeakPolarHBondContact O-CB 3.47Å; D651-A655 PolarHBondContact O-N 2.86Å
652	Y	93.2	Very high	93.4	Very high	5 Å²	5	60.1 Å²	60.1	2%	0.02	30%	0.303	C	S	.	.	H	α-helix	trans	-72.4	-18.6	-179.9	61.3	-96.8	0	0	0	113.9	I374 A656 M676 P677 P752 Y754	I374-Y652 HydrophobicContact CG2-CD1 4.18Å; I374-Y652 HydrophobicContact CG2-CE1 4.47Å; Y652-A656 VanDerWaalsContact O-CB 3.23Å; Y652-A656 WeakPolarHBondContact O-CB 3.48Å; Y652-A656 PolarHBondContact O-N 3.08Å; Y652-A656 VanDerWaalsContact O-N 3.14Å; Y652-M676 HydrophobicContact CD2-SD 4.2Å; Y652-M676 HydrophobicContact CE2-SD 4.22Å; Y652-P677 HydrophobicContact CE2-CG 3.98Å; Y652-P752 HydrophobicContact CD2-CB 4.07Å; Y652-P752 HydrophobicContact CG-CB 4.22Å; Y652-Y754 AromaticContact CD1-CD2 3.67Å; Y652-Y754 HydrophobicContact CD1-CD2 3.67Å; Y652-Y754 AromaticContact CD1-CE2 3.44Å; Y652-Y754 HydrophobicContact CD1-CE2 3.44Å; Y652-Y754 VanDerWaalsContact CD1-CE2 3.44Å; Y652-Y754 HydrophobicContact CD2-CD2 4.16Å; Y652-Y754 AromaticContact CE1-CD2 4Å; Y652-Y754 HydrophobicContact CE1-CD2 4Å; Y652-Y754 HydrophobicContact CE1-CE2 4.06Å; Y652-Y754 HydrophobicContact CE2-CD2 4.46Å; Y652-Y754 AromaticContact CG-CD2 3.75Å; Y652-Y754 HydrophobicContact CG-CD2 3.75Å; Y652-Y754 AromaticContact CG-CE2 3.75Å; Y652-Y754 HydrophobicContact CG-CE2 3.75Å
653	V	93.9	Very high	93.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-78.2	-52	177.5	175.9	0	0	0	0	109.5	I382 D651 A655 A656 V657 M676 V684 L688	I382-V653 HydrophobicContact CD1-CG2 3.95Å; I382-V653 HydrophobicContact CG1-CG2 4.1Å; D651-V653 VanDerWaalsContact C-N 3.29Å; D651-V653 PolarHBondContact O-N 3.24Å; D651-V653 WeakPolarHBondContact OD1-CB 3.47Å; D651-V653 PolarHBondContact OD1-N 2.73Å; V653-A655 VanDerWaalsContact C-N 3.3Å; V653-A655 PolarHBondContact O-N 3.39Å; V653-A656 PolarHBondContact O-N 3.19Å; V653-A656 VanDerWaalsContact O-N 3.15Å; V653-V657 VanDerWaalsContact O-CG2 3.32Å; V653-V657 WeakPolarHBondContact O-CG2 3.45Å; V653-V657 PolarHBondContact O-N 3.11Å; V653-M676 HydrophobicContact CG2-CE 4.42Å; V653-M676 HydrophobicContact CG2-SD 4.24Å; V653-V684 HydrophobicContact CG1-CG1 4.45Å; V653-L688 HydrophobicContact CG1-CD1 4.11Å
654	E	93.3	Very high	93.1	Very high	107 Å²	107	54.4 Å²	54.4	50%	0.5	27%	0.274	S	S	.	.	H	α-helix	trans	-61.5	-40.9	177.6	-176.6	169.1	-155.8	0	0	111.6	D651 A656 V657 K658	D651-E654 HydrophobicContact CB-CB 4.4Å; D651-E654 PolarHBondContact OD1-N 2.87Å; E654-A656 PolarHBondContact O-N 3.17Å; E654-V657 PolarHBondContact O-N 3.4Å; E654-K658 VanDerWaalsContact O-CB 3.31Å; E654-K658 WeakPolarHBondContact O-CB 3.47Å; E654-K658 PolarHBondContact O-N 2.8Å
655	A	94.4	Very high	92.9	Very high	24 Å²	24	55.6 Å²	55.6	20%	0.198	29%	0.286	C	S	.	.	H	α-helix	trans	-61.9	-39.7	174.8	0	0	0	0	0	112.9	V649 D651 V653 Q659 L797	V649-A655 HydrophobicContact CG1-CB 3.49Å; V649-A655 VanDerWaalsContact CG1-CB 3.49Å; D651-A655 WeakPolarHBondContact O-CB 3.47Å; D651-A655 PolarHBondContact O-N 2.86Å; V653-A655 VanDerWaalsContact C-N 3.3Å; V653-A655 PolarHBondContact O-N 3.39Å; A655-Q659 VanDerWaalsContact O-CB 3.28Å; A655-Q659 WeakPolarHBondContact O-CB 3.49Å; A655-Q659 PolarHBondContact O-N 2.96Å; A655-L797 HydrophobicContact CB-CD1 4.08Å
656	A	95.6	Very high	92.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-68.6	-42.8	177.1	0	0	0	0	0	112.5	Y652 V653 E654 Q659 A660 I674 M676 V750 L797	Y652-A656 VanDerWaalsContact O-CB 3.23Å; Y652-A656 WeakPolarHBondContact O-CB 3.48Å; Y652-A656 PolarHBondContact O-N 3.08Å; Y652-A656 VanDerWaalsContact O-N 3.14Å; V653-A656 PolarHBondContact O-N 3.19Å; V653-A656 VanDerWaalsContact O-N 3.15Å; E654-A656 PolarHBondContact O-N 3.17Å; A656-Q659 PolarHBondContact O-N 2.85Å; A656-A660 WeakPolarHBondContact O-CB 3.2Å; A656-A660 PolarHBondContact O-N 2.91Å; A656-I674 HydrophobicContact CB-CG2 4.07Å; A656-M676 HydrophobicContact CB-CE 3.32Å; A656-V750 HydrophobicContact CB-CG1 4.18Å; A656-L797 HydrophobicContact CB-CD1 3.73Å
657	V	95	Very high	91.8	Very high	7 Å²	7	50.3 Å²	50.3	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-59	-49.8	174.3	174.2	0	0	0	0	110	V653 E654 Q659 A660 V661 T685 L688 I689 R692	V653-V657 VanDerWaalsContact O-CG2 3.32Å; V653-V657 WeakPolarHBondContact O-CG2 3.45Å; V653-V657 PolarHBondContact O-N 3.11Å; E654-V657 PolarHBondContact O-N 3.4Å; V657-Q659 VanDerWaalsContact C-N 3.35Å; V657-Q659 PolarHBondContact O-N 3.11Å; V657-A660 PolarHBondContact O-N 3.26Å; V657-V661 WeakPolarHBondContact O-CG2 3.47Å; V657-V661 PolarHBondContact O-N 3.23Å; V657-T685 HydrophobicContact CG2-CG2 4.16Å; V657-L688 HydrophobicContact CG1-CB 4.14Å; V657-L688 HydrophobicContact CG2-CB 3.75Å; V657-L688 HydrophobicContact CG2-CD1 4.29Å; V657-I689 HydrophobicContact CB-CG1 4.34Å; V657-I689 HydrophobicContact CG1-CG1 4.02Å; V657-I689 HydrophobicContact CG2-CG1 4.13Å; V657-R692 HydrophobicContact CG1-CG 3.96Å
658	K	94.3	Very high	91.3	Very high	150 Å²	150	48.9 Å²	48.9	65%	0.652	29%	0.285	S	S	*	.	H	α-helix	trans	-59.4	-43.8	177.8	-178.8	172.6	-180	173.7	0	112.1	E654 T662	E654-K658 VanDerWaalsContact O-CB 3.31Å; E654-K658 WeakPolarHBondContact O-CB 3.47Å; E654-K658 PolarHBondContact O-N 2.8Å; K658-T662 WeakPolarHBondContact O-CB 3.43Å; K658-T662 PolarHBondContact O-N 3.48Å; K658-T662 PolarHBondContact O-OG1 3.24Å
659	Q	94.7	Very high	90.9	Very high	44 Å²	44	54.1 Å²	54.1	21%	0.206	31%	0.305	C	S	.	.	H	α-helix	trans	-66.6	-41.8	178.8	-172	57.4	45	0	0	111.6	A655 A656 V657 T662 I663 V750 Y795 L797	A655-Q659 VanDerWaalsContact O-CB 3.28Å; A655-Q659 WeakPolarHBondContact O-CB 3.49Å; A655-Q659 PolarHBondContact O-N 2.96Å; A656-Q659 PolarHBondContact O-N 2.85Å; V657-Q659 VanDerWaalsContact C-N 3.35Å; V657-Q659 PolarHBondContact O-N 3.11Å; Q659-T662 WeakPolarHBondContact O-CB 3.44Å; Q659-T662 PolarHBondContact O-N 2.58Å; Q659-I663 HydrophobicContact CG-CD1 3.95Å; Q659-I663 WeakPolarHBondContact O-CD1 3.38Å; Q659-I663 VanDerWaalsContact O-CG1 3.23Å; Q659-I663 WeakPolarHBondContact O-CG1 3.41Å; Q659-I663 PolarHBondContact O-N 2.86Å; Q659-V750 HydrophobicContact CB-CG1 4.44Å; Q659-V750 HydrophobicContact CG-CG1 4.41Å; Q659-V750 HydrophobicContact CG-CG2 4.13Å; Q659-Y795 HydrophobicContact CG-CD1 4.32Å; Q659-Y795 HydrophobicContact CG-CD2 4.46Å; Q659-Y795 HydrophobicContact CG-CG 4.02Å; Q659-Y795 VanDerWaalsContact NE2-CD1 3.27Å; Q659-L797 HydrophobicContact CB-CD2 4.29Å; Q659-L797 HydrophobicContact CG-CD2 4.39Å
660	A	94.3	Very high	90.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.9	-45.7	177.6	0	0	0	0	0	112.5	A656 V657 T662 I663 H664 I674 I689	A656-A660 WeakPolarHBondContact O-CB 3.2Å; A656-A660 PolarHBondContact O-N 2.91Å; V657-A660 PolarHBondContact O-N 3.26Å; A660-T662 VanDerWaalsContact C-N 3.32Å; A660-T662 PolarHBondContact O-N 3.15Å; A660-I663 PolarHBondContact O-N 2.72Å; A660-H664 WeakPolarHBondContact O-CB 3.37Å; A660-H664 PolarHBondContact O-N 2.99Å; A660-I674 HydrophobicContact CB-CD1 3.6Å; A660-I689 HydrophobicContact CB-CD1 4.18Å
661	V	93	Very high	90.8	Very high	21 Å²	21	46.9 Å²	46.9	13%	0.127	28%	0.275	C	S	.	.	H	α-helix	trans	-62.5	-39.1	174.3	174.6	0	0	0	0	110.9	V657 H664 V665 R692 L693 L696	V657-V661 WeakPolarHBondContact O-CG2 3.47Å; V657-V661 PolarHBondContact O-N 3.23Å; V661-H664 WeakPolarHBondContact O-CB 3.49Å; V661-H664 PolarHBondContact O-N 3.36Å; V661-H664 VanDerWaalsContact O-N 3.16Å; V661-V665 HydrophobicContact CG1-CG2 4.23Å; V661-V665 WeakPolarHBondContact O-CG2 3.32Å; V661-V665 PolarHBondContact O-N 3.37Å; V661-R692 HydrophobicContact CG2-CB 4.11Å; V661-L693 HydrophobicContact CG2-CD2 4.48Å; V661-L696 HydrophobicContact CG1-CD1 3.79Å
662	T	93.1	Very high	90.9	Very high	79 Å²	79	45.8 Å²	45.8	49%	0.485	27%	0.27	S	S	.	.	H	α-helix	trans	-62.8	-44.3	176.2	-55.1	0	0	0	0	112.1	K658 Q659 A660 H664 G666	K658-T662 WeakPolarHBondContact O-CB 3.43Å; K658-T662 PolarHBondContact O-N 3.48Å; K658-T662 PolarHBondContact O-OG1 3.24Å; Q659-T662 WeakPolarHBondContact O-CB 3.44Å; Q659-T662 PolarHBondContact O-N 2.58Å; A660-T662 VanDerWaalsContact C-N 3.32Å; A660-T662 PolarHBondContact O-N 3.15Å; T662-H664 PolarHBondContact O-N 2.78Å; T662-G666 PolarHBondContact O-N 3.48Å
663	I	92.6	Very high	91	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-65.1	-29.6	175.7	-63.6	158.4	0	0	0	111.2	Q659 A660 I672 R728 F748 V750 Y795	Q659-I663 HydrophobicContact CG-CD1 3.95Å; Q659-I663 WeakPolarHBondContact O-CD1 3.38Å; Q659-I663 VanDerWaalsContact O-CG1 3.23Å; Q659-I663 WeakPolarHBondContact O-CG1 3.41Å; Q659-I663 PolarHBondContact O-N 2.86Å; A660-I663 PolarHBondContact O-N 2.72Å; I663-I672 HydrophobicContact CB-CD1 4.08Å; I663-I672 HydrophobicContact CG2-CD1 3.84Å; I663-I672 HydrophobicContact CG2-CG1 3.96Å; I663-R728 VanDerWaalsContact C-NH1 3.31Å; I663-R728 PolarHBondContact O-NH1 2.95Å; I663-F748 HydrophobicContact CG2-CB 4.03Å; I663-F748 HydrophobicContact CG2-CD1 3.77Å; I663-F748 HydrophobicContact CG2-CD2 3.71Å; I663-F748 HydrophobicContact CG2-CE1 4.2Å; I663-F748 HydrophobicContact CG2-CE2 4.13Å; I663-F748 HydrophobicContact CG2-CG 3.53Å; I663-F748 HydrophobicContact CG2-CZ 4.37Å; I663-V750 HydrophobicContact CD1-CG2 3.74Å; I663-Y795 HydrophobicContact CD1-CD2 3.52Å; I663-Y795 HydrophobicContact CD1-CE2 3.38Å; I663-Y795 HydrophobicContact CD1-CG 4.41Å; I663-Y795 HydrophobicContact CG1-CD2 4.22Å; I663-Y795 HydrophobicContact CG1-CE2 3.59Å
664	H	90.7	Very high	91.1	Very high	11 Å²	11	45.6 Å²	45.6	5%	0.051	27%	0.269	C	S	.	.	H	α-helix	trans	-74.8	-53.5	177.9	-166.2	58.5	0	0	0	113.5	A660 V661 T662 G666 G667 P700 R728	A660-H664 WeakPolarHBondContact O-CB 3.37Å; A660-H664 PolarHBondContact O-N 2.99Å; V661-H664 WeakPolarHBondContact O-CB 3.49Å; V661-H664 PolarHBondContact O-N 3.36Å; V661-H664 VanDerWaalsContact O-N 3.16Å; T662-H664 PolarHBondContact O-N 2.78Å; H664-G666 PolarHBondContact O-N 2.74Å; H664-G667 PolarHBondContact O-N 3.21Å; H664-P700 PolarHBondContact NE2-O 3.49Å; H664-R728 VanDerWaalsContact CA-NH1 3.26Å
665	V	90.1	Very high	91.3	Very high	90 Å²	90	40.5 Å²	40.5	55%	0.545	25%	0.245	S	C	.	.	H	α-helix	trans	-66.7	-24.4	177.3	178.7	0	0	0	0	111.7	V661 G667 L696	V661-V665 HydrophobicContact CG1-CG2 4.23Å; V661-V665 WeakPolarHBondContact O-CG2 3.32Å; V661-V665 PolarHBondContact O-N 3.37Å; V665-G667 PolarHBondContact O-N 2.94Å; V665-L696 HydrophobicContact CG2-CD1 4.24Å
666	G	86.4	Confident	91.3	Very high	51 Å²	51	39.4 Å²	39.4	53%	0.526	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	2.2	177.6	0	0	0	0	0	117	T662 H664 L668	T662-G666 PolarHBondContact O-N 3.48Å; H664-G666 PolarHBondContact O-N 2.74Å; G666-L668 PolarHBondContact O-N 3.24Å
667	G	77	Confident	91.2	Very high	68 Å²	68	39.8 Å²	39.8	70%	0.701	24%	0.238	S	C	*	.			trans	70.9	1.8	165.7	0	0	0	0	0	117.6	H664 V665	H664-G667 PolarHBondContact O-N 3.21Å; V665-G667 PolarHBondContact O-N 2.94Å
668	L	80.6	Confident	90.9	Very high	92 Å²	92	39.8 Å²	39.8	48%	0.482	24%	0.24	S	C	.	.			trans	-69.7	167.7	176.3	-57.9	177	0	0	0	112	G666 R728 F748	G666-L668 PolarHBondContact O-N 3.24Å; L668-R728 PolarHBondContact O-NH2 2.93Å; L668-F748 HydrophobicContact CB-CE2 4.21Å; L668-F748 HydrophobicContact CB-CZ 3.63Å; L668-F748 HydrophobicContact CD1-CE1 3.75Å; L668-F748 HydrophobicContact CD1-CZ 3.61Å; L668-F748 HydrophobicContact CG-CZ 4.28Å
669	Q	83.8	Confident	90.7	Very high	171 Å²	171	35.8 Å²	35.8	80%	0.799	22%	0.224	S	C	*	.			trans	-104.6	157.1	174	-65.2	-173.9	1.5	0	0	112	F748	Q669-F748 VanDerWaalsContact O-CE2 3.28Å; Q669-F748 WeakPolarHBondContact O-CE2 3.29Å
670	G	87	Confident	90.4	Very high	21 Å²	21	37 Å²	37	22%	0.216	23%	0.229	C	C	.	.	S	Bend	trans	107.2	157.5	-177.9	0	0	0	0	0	113.8	R728	G670-R728 PolarHBondContact O-NE 3.01Å
671	D	91.9	Very high	90.3	Very high	16 Å²	16	37.3 Å²	37.3	9%	0.086	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	156.7	-177.1	-69.5	-23.5	0	0	0	112.6	K729 G745 I746 L747 F748	D671-K729 WeakPolarHBondContact CA-O 3.36Å; D671-K729 HydrophobicContact CB-CB 4.23Å; D671-K729 WeakPolarHBondContact CB-O 3.32Å; D671-K729 PolarHBondContact OD1-N 3.21Å; D671-K729 WeakPolarHBondContact OD2-CE 3.26Å; D671-K729 IonicContact OD2-NZ 2.8Å; D671-G745 PolarHBondContact N-O 3.15Å; D671-I746 HydrophobicContact CB-CG1 4.5Å; D671-L747 PolarHBondContact O-N 2.86Å; D671-L747 VanDerWaalsContact O-N 3.09Å; D671-F748 PolarHBondContact O-N 3.49Å
672	I	94.2	Very high	90.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	134	179.7	-53.6	170.9	0	0	0	110	I663 I674 K729 C730 I731 F748 V750	I663-I672 HydrophobicContact CB-CD1 4.08Å; I663-I672 HydrophobicContact CG2-CD1 3.84Å; I663-I672 HydrophobicContact CG2-CG1 3.96Å; I672-I674 HydrophobicContact CG2-CG1 3.97Å; I672-K729 PolarHBondContact N-O 3.39Å; I672-C730 HydrophobicContact CB-CB 4.38Å; I672-C730 CarbonylContact O-C 3.54Å; I672-C730 WeakPolarHBondContact O-CA 3.38Å; I672-I731 PolarHBondContact O-N 2.86Å; I672-F748 CarbonylContact C-O 3.58Å; I672-F748 WeakPolarHBondContact CA-O 3.36Å; I672-F748 HydrophobicContact CB-CB 4.48Å; I672-F748 HydrophobicContact CG1-CB 4.13Å; I672-F748 HydrophobicContact CG1-CD2 4.32Å; I672-F748 HydrophobicContact CG2-CB 4.5Å; I672-V750 HydrophobicContact CG2-CG2 4.34Å
673	L	94.9	Very high	90.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116.2	167.6	177.3	66	0	0	0	110.2	F675 I731 A733 A737 I746 F748 V749 V750 R785	L673-F675 HydrophobicContact CD2-CE2 3.68Å; L673-F675 HydrophobicContact CD2-CZ 3.61Å; L673-F675 HydrophobicContact CG-CE2 4.03Å; L673-F675 HydrophobicContact CG-CZ 4.26Å; L673-I731 CarbonylContact C-O 3.56Å; L673-I731 WeakPolarHBondContact CA-O 3.34Å; L673-I731 HydrophobicContact CD1-CB 4.01Å; L673-I731 HydrophobicContact CD1-CG2 3.85Å; L673-A733 HydrophobicContact CD1-CB 3.66Å; L673-A737 HydrophobicContact CD1-CB 4.15Å; L673-A737 HydrophobicContact CD2-CB 4.15Å; L673-I746 HydrophobicContact CB-CD1 3.89Å; L673-I746 HydrophobicContact CB-CG1 4.41Å; L673-I746 HydrophobicContact CB-CG2 3.97Å; L673-I746 HydrophobicContact CD2-CD1 3.92Å; L673-I746 HydrophobicContact CG-CD1 4.35Å; L673-F748 PolarHBondContact N-O 3.18Å; L673-V749 HydrophobicContact CB-CG2 4.4Å; L673-V749 CarbonylContact O-C 3.58Å; L673-V749 WeakPolarHBondContact O-CA 3.41Å; L673-V750 PolarHBondContact O-N 3.02Å; L673-R785 HydrophobicContact CD2-CB 4.1Å; L673-R785 HydrophobicContact CD2-CG 4.19Å
674	I	96.3	Very high	90.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.8	174.8	-49.5	-179.2	0	0	0	108.4	A656 A660 I672 M676 T685 I689 I731 V732 A733 V750	A656-I674 HydrophobicContact CB-CG2 4.07Å; A660-I674 HydrophobicContact CB-CD1 3.6Å; I672-I674 HydrophobicContact CG2-CG1 3.97Å; I674-M676 HydrophobicContact CG2-CE 3.99Å; I674-M676 HydrophobicContact CG2-CG 4.38Å; I674-T685 HydrophobicContact CD1-CG2 4.39Å; I674-I689 HydrophobicContact CD1-CD1 3.58Å; I674-I731 PolarHBondContact N-O 3.05Å; I674-V732 HydrophobicContact CB-CG1 4.28Å; I674-V732 HydrophobicContact CB-CG2 4.49Å; I674-V732 HydrophobicContact CD1-CG2 4.22Å; I674-V732 HydrophobicContact CG2-CG1 4.49Å; I674-A733 PolarHBondContact O-N 3.42Å; I674-V750 WeakPolarHBondContact CA-O 3.45Å; I674-V750 HydrophobicContact CB-CB 4.48Å; I674-V750 HydrophobicContact CG1-CB 4.24Å; I674-V750 HydrophobicContact CG1-CG2 4.49Å; I674-V750 HydrophobicContact CG2-CB 4.28Å; I674-V750 HydrophobicContact CG2-CG1 4.4Å
675	F	96.5	Very high	90.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	137.2	169.5	-72.6	-84.6	0	0	0	110.9	L673 A733 A737 E738 V749 V750 P752 R782 R785	L673-F675 HydrophobicContact CD2-CE2 3.68Å; L673-F675 HydrophobicContact CD2-CZ 3.61Å; L673-F675 HydrophobicContact CG-CE2 4.03Å; L673-F675 HydrophobicContact CG-CZ 4.26Å; F675-A733 CarbonylContact C-O 3.54Å; F675-A733 WeakPolarHBondContact CA-O 3.48Å; F675-A737 HydrophobicContact CE1-CB 3.97Å; F675-A737 HydrophobicContact CZ-CB 4.27Å; F675-E738 HydrophobicContact CE1-CB 4.14Å; F675-V749 HydrophobicContact CD2-CG1 4.05Å; F675-V749 HydrophobicContact CE2-CG1 3.87Å; F675-V750 PolarHBondContact N-O 3.02Å; F675-P752 WeakPolarHBondContact O-CD 3.29Å; F675-P752 WeakPolarHBondContact O-CG 2.78Å; F675-R782 HydrophobicContact CD1-CG 4.23Å; F675-R782 HydrophobicContact CD2-CB 4.04Å; F675-R782 HydrophobicContact CD2-CG 3.86Å; F675-R782 HydrophobicContact CE1-CG 4.01Å; F675-R782 HydrophobicContact CE2-CB 3.63Å; F675-R782 HydrophobicContact CE2-CG 3.62Å; F675-R782 HydrophobicContact CG-CG 4.16Å; F675-R782 HydrophobicContact CZ-CB 4.08Å; F675-R782 HydrophobicContact CZ-CG 3.7Å; F675-R785 HydrophobicContact CZ-CG 4.39Å
676	M	95.5	Very high	90.7	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	19%	0.191	C	C	.	.			trans	-140.2	148.9	176.6	-81.7	-61.3	161.7	0	0	110.9	Y652 V653 A656 I674 G678 D681 I682 T685 V732 A733 T734 P752	Y652-M676 HydrophobicContact CD2-SD 4.2Å; Y652-M676 HydrophobicContact CE2-SD 4.22Å; V653-M676 HydrophobicContact CG2-CE 4.42Å; V653-M676 HydrophobicContact CG2-SD 4.24Å; A656-M676 HydrophobicContact CB-CE 3.32Å; I674-M676 HydrophobicContact CG2-CE 3.99Å; I674-M676 HydrophobicContact CG2-CG 4.38Å; M676-G678 PolarHBondContact O-N 3.07Å; M676-D681 HydrophobicContact CB-CB 4.37Å; M676-D681 HydrophobicContact SD-CB 4.48Å; M676-I682 HydrophobicContact CB-CD1 4.49Å; M676-I682 HydrophobicContact CB-CG1 3.63Å; M676-I682 HydrophobicContact CG-CG1 4.48Å; M676-T685 HydrophobicContact CE-CG2 4.29Å; M676-V732 HydrophobicContact CB-CG1 4.36Å; M676-V732 HydrophobicContact CG-CG1 3.89Å; M676-A733 PolarHBondContact N-O 3.46Å; M676-T734 WeakPolarHBondContact O-CA 3.41Å; M676-P752 HydrophobicContact SD-CG 4.49Å
677	P	92.4	Very high	90.9	Very high	7 Å²	7	30.7 Å²	30.7	5%	0.045	18%	0.182	C	C	.	.	S	Bend	trans	-75.7	-18.8	-167.4	27.3	-32.8	0	0	0	114.8	Y652 D681 K756 V771	Y652-P677 HydrophobicContact CE2-CG 3.98Å; P677-D681 HydrophobicContact CG-CB 4.11Å; P677-K756 HydrophobicContact CB-CG 4.16Å; P677-K756 WeakPolarHBondContact O-CB 3.36Å; P677-K756 VanDerWaalsContact O-CD 3.25Å; P677-K756 WeakPolarHBondContact O-CD 3.41Å; P677-K756 VanDerWaalsContact O-CG 3.25Å; P677-K756 WeakPolarHBondContact O-CG 3.3Å; P677-V771 HydrophobicContact CB-CG1 4.3Å
678	G	90.5	Very high	91.7	Very high	8 Å²	8	29.5 Å²	29.5	8%	0.082	16%	0.159	C	C	.	.	S	Bend	trans	-171.6	-172.6	178.5	0	0	0	0	0	114.9	M676 D681 I682	M676-G678 PolarHBondContact O-N 3.07Å; G678-D681 WeakPolarHBondContact CA-OD2 3.45Å; G678-D681 PolarHBondContact N-OD2 2.63Å; G678-D681 PolarHBondContact O-N 3.45Å; G678-D681 VanDerWaalsContact O-OD2 3.07Å; G678-I682 WeakPolarHBondContact O-CD1 3.42Å; G678-I682 WeakPolarHBondContact O-CG1 2.98Å; G678-I682 PolarHBondContact O-N 2.89Å
679	Q	88.9	Confident	92.3	Very high	66 Å²	66	25.1 Å²	25.1	31%	0.308	14%	0.136	S	C	.	.	H	α-helix	trans	-64.1	-50.3	-171.7	176.7	178	-12	0	0	114.1	D681 I682 E683 Y708	Q679-D681 PolarHBondContact O-N 3.26Å; Q679-I682 WeakPolarHBondContact O-CB 3.32Å; Q679-I682 PolarHBondContact O-N 2.96Å; Q679-I682 VanDerWaalsContact O-N 3.11Å; Q679-E683 HydrophobicContact CG-CG 4.41Å; Q679-E683 WeakPolarHBondContact CG-OE1 3.44Å; Q679-E683 PolarHBondContact NE2-OE1 2.72Å; Q679-E683 PolarHBondContact O-N 2.93Å; Q679-Y708 HydrophobicContact CB-CD2 4.07Å; Q679-Y708 HydrophobicContact CB-CE2 4.25Å; Q679-Y708 HydrophobicContact CB-CG 4.27Å; Q679-Y708 HydrophobicContact CG-CD1 4.41Å; Q679-Y708 HydrophobicContact CG-CD2 4Å; Q679-Y708 HydrophobicContact CG-CE1 4.12Å; Q679-Y708 HydrophobicContact CG-CE2 3.66Å; Q679-Y708 HydrophobicContact CG-CG 4.37Å
680	E	88.4	Confident	92.7	Very high	69 Å²	69	20 Å²	20	32%	0.322	12%	0.119	S	C	.	.	H	α-helix	trans	-59	-41.5	179.1	-175.8	-179	-153.5	0	0	110.6	I382 R386 I682 E683 V684	I382-E680 HydrophobicContact CG2-CG 4.02Å; R386-E680 IonicContact CZ-OE1 3.5Å; R386-E680 IonicContact CZ-OE2 2.94Å; R386-E680 IonicContact NE-OE1 2.69Å; R386-E680 PolarHBondContact NE-OE1 2.8Å; R386-E680 IonicContact NH2-OE1 3.37Å; R386-E680 PolarHBondContact NH2-OE1 3.5Å; R386-E680 IonicContact NH2-OE2 3.57Å; R386-E680 PolarHBondContact NH2-OE2 2.71Å; E680-I682 VanDerWaalsContact C-N 3.3Å; E680-I682 PolarHBondContact O-N 3.15Å; E680-E683 PolarHBondContact O-N 2.7Å; E680-V684 HydrophobicContact CG-CG2 4.47Å; E680-V684 WeakPolarHBondContact O-CB 3.12Å; E680-V684 VanDerWaalsContact O-CG2 3.24Å; E680-V684 WeakPolarHBondContact O-CG2 2.98Å; E680-V684 PolarHBondContact O-N 3.34Å
681	D	92.4	Very high	92.9	Very high	6 Å²	6	21.2 Å²	21.2	3%	0.032	13%	0.127	C	C	.	.	H	α-helix	trans	-63.4	-37.2	178.4	-27.9	-109.2	0	0	0	111	I382 M676 P677 G678 Q679 T685 K756	I382-D681 HydrophobicContact CD1-CB 3.89Å; M676-D681 HydrophobicContact CB-CB 4.37Å; M676-D681 HydrophobicContact SD-CB 4.48Å; P677-D681 HydrophobicContact CG-CB 4.11Å; G678-D681 WeakPolarHBondContact CA-OD2 3.45Å; G678-D681 PolarHBondContact N-OD2 2.63Å; G678-D681 PolarHBondContact O-N 3.45Å; G678-D681 VanDerWaalsContact O-OD2 3.07Å; Q679-D681 PolarHBondContact O-N 3.26Å; D681-T685 VanDerWaalsContact O-CB 3.26Å; D681-T685 WeakPolarHBondContact O-CB 3.26Å; D681-T685 PolarHBondContact O-N 2.74Å; D681-T685 VanDerWaalsContact O-N 3.08Å; D681-T685 PolarHBondContact O-OG1 2.83Å; D681-K756 VanDerWaalsContact CG-NZ 3.31Å; D681-K756 IonicContact OD1-NZ 3.74Å; D681-K756 PolarHBondContact OD1-NZ 3.3Å; D681-K756 VanDerWaalsContact OD1-NZ 3.17Å; D681-K756 IonicContact OD2-NZ 2.67Å; D681-K756 PolarHBondContact OD2-NZ 3.11Å
682	I	93.3	Very high	92.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-71.7	-50.5	174.7	-71.2	165	0	0	0	111.8	M676 G678 Q679 E680 V684 T685 C686 P706 Y708 V732 T734	M676-I682 HydrophobicContact CB-CD1 4.49Å; M676-I682 HydrophobicContact CB-CG1 3.63Å; M676-I682 HydrophobicContact CG-CG1 4.48Å; G678-I682 WeakPolarHBondContact O-CD1 3.42Å; G678-I682 WeakPolarHBondContact O-CG1 2.98Å; G678-I682 PolarHBondContact O-N 2.89Å; Q679-I682 WeakPolarHBondContact O-CB 3.32Å; Q679-I682 PolarHBondContact O-N 2.96Å; Q679-I682 VanDerWaalsContact O-N 3.11Å; E680-I682 VanDerWaalsContact C-N 3.3Å; E680-I682 PolarHBondContact O-N 3.15Å; I682-V684 VanDerWaalsContact C-N 3.33Å; I682-V684 PolarHBondContact O-N 2.84Å; I682-T685 PolarHBondContact O-N 2.88Å; I682-C686 WeakPolarHBondContact O-CB 3.38Å; I682-C686 PolarHBondContact O-N 2.82Å; I682-C686 PolarHBondContact O-SG 2.88Å; I682-P706 HydrophobicContact CG2-CB 3.4Å; I682-Y708 HydrophobicContact CD1-CD1 4.26Å; I682-Y708 HydrophobicContact CG2-CD1 4.3Å; I682-V732 HydrophobicContact CB-CG1 4.39Å; I682-V732 HydrophobicContact CG1-CG1 4.09Å; I682-V732 HydrophobicContact CG2-CB 4.24Å; I682-V732 HydrophobicContact CG2-CG1 4.2Å; I682-T734 HydrophobicContact CD1-CG2 3.65Å
683	E	91.9	Very high	92.5	Very high	62 Å²	62	26.7 Å²	26.7	29%	0.29	15%	0.148	S	C	.	.	H	α-helix	trans	-56.3	-47.4	179.1	-79.2	-178.7	-146.5	0	0	111.1	Q679 E680 C686 A687 K917	Q679-E683 HydrophobicContact CG-CG 4.41Å; Q679-E683 WeakPolarHBondContact CG-OE1 3.44Å; Q679-E683 PolarHBondContact NE2-OE1 2.72Å; Q679-E683 PolarHBondContact O-N 2.93Å; E680-E683 PolarHBondContact O-N 2.7Å; E683-C686 PolarHBondContact O-N 3.38Å; E683-A687 WeakPolarHBondContact O-CB 3.36Å; E683-A687 PolarHBondContact O-N 3.29Å; E683-K917 IonicContact OE2-NZ 3.99Å; E683-K917 PolarHBondContact OE2-NZ 2.76Å
684	V	93.1	Very high	92.1	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.6	-43.9	177.5	174.9	0	0	0	0	111.1	I382 W385 V653 E680 I682 C686 A687 L688	I382-V684 HydrophobicContact CG1-CB 4.39Å; I382-V684 HydrophobicContact CG1-CG1 4.22Å; W385-V684 HydrophobicContact CB-CG1 4.16Å; W385-V684 HydrophobicContact CB-CG2 4.45Å; W385-V684 HydrophobicContact CD2-CG1 4.49Å; W385-V684 HydrophobicContact CD2-CG2 3.68Å; W385-V684 HydrophobicContact CE3-CG2 3.58Å; W385-V684 HydrophobicContact CG-CG1 4.07Å; W385-V684 HydrophobicContact CG-CG2 4.07Å; W385-V684 HydrophobicContact CZ3-CG2 4.06Å; V653-V684 HydrophobicContact CG1-CG1 4.45Å; E680-V684 HydrophobicContact CG-CG2 4.47Å; E680-V684 WeakPolarHBondContact O-CB 3.12Å; E680-V684 VanDerWaalsContact O-CG2 3.24Å; E680-V684 WeakPolarHBondContact O-CG2 2.98Å; E680-V684 PolarHBondContact O-N 3.34Å; I682-V684 VanDerWaalsContact C-N 3.33Å; I682-V684 PolarHBondContact O-N 2.84Å; V684-C686 PolarHBondContact O-N 2.91Å; V684-A687 PolarHBondContact O-N 3.11Å; V684-L688 HydrophobicContact CG1-CD1 3.68Å; V684-L688 HydrophobicContact CG1-CG 4.16Å; V684-L688 WeakPolarHBondContact O-CB 3.23Å; V684-L688 VanDerWaalsContact O-CG 3.25Å; V684-L688 WeakPolarHBondContact O-CG 3.31Å; V684-L688 PolarHBondContact O-N 3.48Å
685	T	94.9	Very high	91.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.6	-45.6	176.6	-61.7	0	0	0	0	111.6	V657 I674 M676 D681 I682 L688 I689 V732	V657-T685 HydrophobicContact CG2-CG2 4.16Å; I674-T685 HydrophobicContact CD1-CG2 4.39Å; M676-T685 HydrophobicContact CE-CG2 4.29Å; D681-T685 VanDerWaalsContact O-CB 3.26Å; D681-T685 WeakPolarHBondContact O-CB 3.26Å; D681-T685 PolarHBondContact O-N 2.74Å; D681-T685 VanDerWaalsContact O-N 3.08Å; D681-T685 PolarHBondContact O-OG1 2.83Å; I682-T685 PolarHBondContact O-N 2.88Å; T685-L688 PolarHBondContact O-N 2.82Å; T685-I689 HydrophobicContact CG2-CD1 3.82Å; T685-I689 HydrophobicContact CG2-CG1 4.45Å; T685-I689 VanDerWaalsContact O-CG1 3.31Å; T685-I689 WeakPolarHBondContact O-CG1 3.45Å; T685-I689 PolarHBondContact O-N 3.32Å; T685-V732 HydrophobicContact CG2-CG1 3.76Å; T685-V732 HydrophobicContact CG2-CG2 4.29Å
686	C	94	Very high	91.2	Very high	16 Å²	16	40.4 Å²	40.4	11%	0.108	23%	0.23	C	C	.	.	H	α-helix	trans	-62.8	-44.1	178.3	-68.8	0	0	0	0	112	I682 E683 V684 S690 V704	I682-C686 WeakPolarHBondContact O-CB 3.38Å; I682-C686 PolarHBondContact O-N 2.82Å; I682-C686 PolarHBondContact O-SG 2.88Å; E683-C686 PolarHBondContact O-N 3.38Å; V684-C686 PolarHBondContact O-N 2.91Å; C686-S690 WeakPolarHBondContact O-CB 3.43Å; C686-S690 PolarHBondContact O-N 2.9Å; C686-S690 PolarHBondContact O-OG 2.83Å; C686-V704 HydrophobicContact CB-CG1 3.84Å
687	A	92.3	Very high	90.1	Very high	40 Å²	40	50 Å²	50	33%	0.331	28%	0.275	S	S	.	.	H	α-helix	trans	-63.5	-43.3	176.7	0	0	0	0	0	112.3	E683 V684 S690 A691	E683-A687 WeakPolarHBondContact O-CB 3.36Å; E683-A687 PolarHBondContact O-N 3.29Å; V684-A687 PolarHBondContact O-N 3.11Å; A687-S690 PolarHBondContact O-N 2.98Å; A687-A691 WeakPolarHBondContact O-CB 3.48Å; A687-A691 PolarHBondContact O-N 3.22Å
688	L	93.3	Very high	89.2	Confident	44 Å²	44	58.8 Å²	58.8	23%	0.23	32%	0.315	C	S	.	.	H	α-helix	trans	-67.8	-40.2	178.4	-71.6	174.8	0	0	0	112.6	A381 V653 V657 V684 T685 S690 A691 R692	A381-L688 HydrophobicContact CB-CD1 4.47Å; V653-L688 HydrophobicContact CG1-CD1 4.11Å; V657-L688 HydrophobicContact CG1-CB 4.14Å; V657-L688 HydrophobicContact CG2-CB 3.75Å; V657-L688 HydrophobicContact CG2-CD1 4.29Å; V684-L688 HydrophobicContact CG1-CD1 3.68Å; V684-L688 HydrophobicContact CG1-CG 4.16Å; V684-L688 WeakPolarHBondContact O-CB 3.23Å; V684-L688 VanDerWaalsContact O-CG 3.25Å; V684-L688 WeakPolarHBondContact O-CG 3.31Å; V684-L688 PolarHBondContact O-N 3.48Å; T685-L688 PolarHBondContact O-N 2.82Å; L688-S690 VanDerWaalsContact C-N 3.33Å; L688-S690 PolarHBondContact O-N 3.43Å; L688-A691 PolarHBondContact O-N 3.12Å; L688-R692 WeakPolarHBondContact O-CB 3.45Å; L688-R692 VanDerWaalsContact O-CG 3.29Å; L688-R692 WeakPolarHBondContact O-CG 3.42Å; L688-R692 PolarHBondContact O-N 2.68Å
689	I	93.4	Very high	88.5	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60.4	-46.5	173	-69.2	168	0	0	0	109.9	V657 A660 I674 T685 A691 R692 L693 L702 V704 V732	V657-I689 HydrophobicContact CB-CG1 4.34Å; V657-I689 HydrophobicContact CG1-CG1 4.02Å; V657-I689 HydrophobicContact CG2-CG1 4.13Å; A660-I689 HydrophobicContact CB-CD1 4.18Å; I674-I689 HydrophobicContact CD1-CD1 3.58Å; T685-I689 HydrophobicContact CG2-CD1 3.82Å; T685-I689 HydrophobicContact CG2-CG1 4.45Å; T685-I689 VanDerWaalsContact O-CG1 3.31Å; T685-I689 WeakPolarHBondContact O-CG1 3.45Å; T685-I689 PolarHBondContact O-N 3.32Å; I689-A691 PolarHBondContact O-N 3.08Å; I689-R692 PolarHBondContact O-N 2.57Å; I689-L693 HydrophobicContact CG2-CD1 3.8Å; I689-L693 HydrophobicContact CG2-CG 4.44Å; I689-L693 VanDerWaalsContact O-CG 3.28Å; I689-L693 WeakPolarHBondContact O-CG 3.45Å; I689-L693 PolarHBondContact O-N 3.35Å; I689-L702 HydrophobicContact CG2-CD2 3.96Å; I689-V704 HydrophobicContact CG2-CG2 3.79Å; I689-V732 HydrophobicContact CD1-CG2 4.38Å
690	S	91.5	Very high	88.2	Confident	64 Å²	64	60 Å²	60	45%	0.448	33%	0.33	S	S	.	.	H	α-helix	trans	-62.3	-42.1	-179.7	-53.9	0	0	0	0	111.9	C686 A687 L688 A694	C686-S690 WeakPolarHBondContact O-CB 3.43Å; C686-S690 PolarHBondContact O-N 2.9Å; C686-S690 PolarHBondContact O-OG 2.83Å; A687-S690 PolarHBondContact O-N 2.98Å; L688-S690 VanDerWaalsContact C-N 3.33Å; L688-S690 PolarHBondContact O-N 3.43Å; S690-A694 PolarHBondContact O-N 3.48Å; S690-A694 VanDerWaalsContact O-N 3.13Å
691	A	90.8	Very high	88	Confident	45 Å²	45	61 Å²	61	37%	0.372	34%	0.342	S	S	.	.	H	α-helix	trans	-65.8	-47.2	175.8	0	0	0	0	0	112.4	A687 L688 I689 L693 A694 E695	A687-A691 WeakPolarHBondContact O-CB 3.48Å; A687-A691 PolarHBondContact O-N 3.22Å; L688-A691 PolarHBondContact O-N 3.12Å; I689-A691 PolarHBondContact O-N 3.08Å; A691-L693 VanDerWaalsContact C-N 3.25Å; A691-L693 PolarHBondContact O-N 3.13Å; A691-A694 PolarHBondContact O-N 2.84Å; A691-A694 VanDerWaalsContact O-N 3.09Å; A691-E695 WeakPolarHBondContact O-CG 3.49Å; A691-E695 PolarHBondContact O-N 2.8Å
692	R	89.3	Confident	87.9	Confident	108 Å²	108	61.9 Å²	61.9	41%	0.408	35%	0.347	S	S	.	.	H	α-helix	trans	-65.1	-25.9	178.7	-69.8	-53.6	-162.8	-177.4	2.3	113.5	V657 V661 L688 I689 E695 L696	V657-R692 HydrophobicContact CG1-CG 3.96Å; V661-R692 HydrophobicContact CG2-CB 4.11Å; L688-R692 WeakPolarHBondContact O-CB 3.45Å; L688-R692 VanDerWaalsContact O-CG 3.29Å; L688-R692 WeakPolarHBondContact O-CG 3.42Å; L688-R692 PolarHBondContact O-N 2.68Å; I689-R692 PolarHBondContact O-N 2.57Å; R692-E695 WeakPolarHBondContact CD-OE2 3.22Å; R692-E695 IonicContact CZ-OE2 3.21Å; R692-E695 IonicContact NE-OE2 3.87Å; R692-E695 IonicContact NH1-OE1 2.81Å; R692-E695 PolarHBondContact NH1-OE1 3.1Å; R692-E695 IonicContact NH1-OE2 3.65Å; R692-E695 PolarHBondContact NH1-OE2 3.36Å; R692-L696 WeakPolarHBondContact O-CD1 3.47Å; R692-L696 WeakPolarHBondContact O-CG 3.3Å
693	L	88.4	Confident	87.7	Confident	24 Å²	24	63.3 Å²	63.3	13%	0.126	36%	0.357	C	S	.	.	H	α-helix	trans	-77.7	-34.7	171.8	-68.8	169.4	0	0	0	112.1	V661 I689 A691 E695 L696 A699 L702	V661-L693 HydrophobicContact CG2-CD2 4.48Å; I689-L693 HydrophobicContact CG2-CD1 3.8Å; I689-L693 HydrophobicContact CG2-CG 4.44Å; I689-L693 VanDerWaalsContact O-CG 3.28Å; I689-L693 WeakPolarHBondContact O-CG 3.45Å; I689-L693 PolarHBondContact O-N 3.35Å; A691-L693 VanDerWaalsContact C-N 3.25Å; A691-L693 PolarHBondContact O-N 3.13Å; L693-E695 PolarHBondContact O-N 3.38Å; L693-L696 PolarHBondContact O-N 3.22Å; L693-A699 HydrophobicContact CD2-CB 4.09Å; L693-L702 HydrophobicContact CD1-CB 3.81Å; L693-L702 HydrophobicContact CD1-CD2 3.69Å; L693-L702 HydrophobicContact CD1-CG 4.38Å
694	A	87.8	Confident	87.7	Confident	91 Å²	91	61.9 Å²	61.9	75%	0.752	35%	0.352	S	S	*	.	H	α-helix	trans	-70.6	-18.4	173.1	0	0	0	0	0	113.6	S690 A691 L696	S690-A694 PolarHBondContact O-N 3.48Å; S690-A694 VanDerWaalsContact O-N 3.13Å; A691-A694 PolarHBondContact O-N 2.84Å; A691-A694 VanDerWaalsContact O-N 3.09Å; A694-L696 VanDerWaalsContact C-N 3.29Å
695	E	87.5	Confident	87.7	Confident	122 Å²	122	63.5 Å²	63.5	57%	0.57	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-5.3	170.4	-71.5	173.1	179.2	0	0	113.7	A691 R692 L693	A691-E695 WeakPolarHBondContact O-CG 3.49Å; A691-E695 PolarHBondContact O-N 2.8Å; R692-E695 WeakPolarHBondContact CD-OE2 3.22Å; R692-E695 IonicContact CZ-OE2 3.21Å; R692-E695 IonicContact NE-OE2 3.87Å; R692-E695 IonicContact NH1-OE1 2.81Å; R692-E695 PolarHBondContact NH1-OE1 3.1Å; R692-E695 IonicContact NH1-OE2 3.65Å; R692-E695 PolarHBondContact NH1-OE2 3.36Å; L693-E695 PolarHBondContact O-N 3.38Å
696	L	85.4	Confident	87.5	Confident	75 Å²	75	65.6 Å²	65.6	39%	0.393	37%	0.374	S	S	.	.			trans	-117.7	109.5	-173.4	-69.6	171.6	0	0	0	111.9	V661 V665 R692 L693 A694 E698 A699	V661-L696 HydrophobicContact CG1-CD1 3.79Å; V665-L696 HydrophobicContact CG2-CD1 4.24Å; R692-L696 WeakPolarHBondContact O-CD1 3.47Å; R692-L696 WeakPolarHBondContact O-CG 3.3Å; L693-L696 PolarHBondContact O-N 3.22Å; A694-L696 VanDerWaalsContact C-N 3.29Å; L696-E698 VanDerWaalsContact C-N 3.26Å; L696-E698 PolarHBondContact O-N 3Å; L696-E698 VanDerWaalsContact O-N 3.16Å; L696-A699 HydrophobicContact CB-CB 3.86Å; L696-A699 PolarHBondContact O-N 3.05Å
697	E	73	Confident	87.3	Confident	204 Å²	204	64.9 Å²	64.9	95%	0.953	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.5	-171.4	-59.7	-175	153.5	0	0	115
698	E	73.9	Confident	87.1	Confident	191 Å²	191	64.5 Å²	64.5	89%	0.893	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	14.8	-178.3	-60.4	-170.5	143.3	0	0	114	L696	L696-E698 VanDerWaalsContact C-N 3.26Å; L696-E698 PolarHBondContact O-N 3Å; L696-E698 VanDerWaalsContact O-N 3.16Å
699	A	75.5	Confident	86.3	Confident	31 Å²	31	66.8 Å²	66.8	26%	0.256	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-70.6	129.1	-176.4	0	0	0	0	0	112.9	L693 L696	L693-A699 HydrophobicContact CD2-CB 4.09Å; L696-A699 HydrophobicContact CB-CB 3.86Å; L696-A699 PolarHBondContact O-N 3.05Å
700	P	81.9	Confident	85.5	Confident	68 Å²	68	73.6 Å²	73.6	44%	0.442	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-60.7	152.1	169.9	-22	33.1	0	0	0	111.5	H664	H664-P700 PolarHBondContact NE2-O 3.49Å
701	P	85.2	Confident	84.8	Confident	89 Å²	89	71.1 Å²	71.1	58%	0.578	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-67.2	139.2	178	28.2	-35.4	0	0	0	112.1	M727	P701-M727 HydrophobicContact CB-CG 4.21Å; P701-M727 HydrophobicContact CB-SD 3.71Å; P701-M727 HydrophobicContact CG-CG 3.97Å; P701-M727 HydrophobicContact CG-SD 4.05Å
702	L	89	Confident	83.8	Confident	26 Å²	26	71 Å²	71	14%	0.136	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.9	-179.1	-175.7	70.2	0	0	0	110.5	I689 L693 V704 R728 C730	I689-L702 HydrophobicContact CG2-CD2 3.96Å; L693-L702 HydrophobicContact CD1-CB 3.81Å; L693-L702 HydrophobicContact CD1-CD2 3.69Å; L693-L702 HydrophobicContact CD1-CG 4.38Å; L702-V704 HydrophobicContact CD2-CG2 4Å; L702-V704 HydrophobicContact CG-CG2 4.17Å; L702-V704 PolarHBondContact O-N 3.15Å; L702-R728 HydrophobicContact CD1-CB 3.85Å; L702-R728 HydrophobicContact CD1-CG 3.7Å; L702-R728 WeakPolarHBondContact CD1-O 3.23Å; L702-C730 HydrophobicContact CD1-CB 3.91Å; L702-C730 HydrophobicContact CD2-CB 3.7Å; L702-C730 HydrophobicContact CG-CB 3.92Å
703	S	90.2	Very high	82.9	Confident	30 Å²	30	69.1 Å²	69.1	21%	0.21	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	103.8	174.4	-173.4	0	0	0	0	110.3	R728 K729 C730	S703-R728 PolarHBondContact N-O 3.3Å; S703-K729 CarbonylContact O-C 3.56Å; S703-K729 WeakPolarHBondContact O-CA 3.48Å; S703-C730 PolarHBondContact O-N 2.89Å
704	V	92.3	Very high	82.1	Confident	32 Å²	32	70.8 Å²	70.8	19%	0.194	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	118.7	-178.6	-174	0	0	0	0	110.1	C686 I689 L702 C730 V732	C686-V704 HydrophobicContact CB-CG1 3.84Å; I689-V704 HydrophobicContact CG2-CG2 3.79Å; L702-V704 HydrophobicContact CD2-CG2 4Å; L702-V704 HydrophobicContact CG-CG2 4.17Å; L702-V704 PolarHBondContact O-N 3.15Å; V704-C730 WeakPolarHBondContact CA-O 3.3Å; V704-V732 HydrophobicContact CG1-CG2 4.32Å
705	L	91.8	Very high	81.5	Confident	33 Å²	33	69.7 Å²	69.7	17%	0.173	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	116.7	-171.5	-62.3	177	0	0	0	111.6	K729 C730 I731 V732	L705-K729 HydrophobicContact CD1-CD 4.08Å; L705-K729 HydrophobicContact CD1-CG 4.43Å; L705-C730 PolarHBondContact N-O 2.94Å; L705-I731 CarbonylContact O-C 3.59Å; L705-I731 WeakPolarHBondContact O-CA 3.21Å; L705-V732 PolarHBondContact O-N 3.34Å
706	P	92.2	Very high	81.2	Confident	44 Å²	44	65 Å²	65	29%	0.286	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	149.7	175.8	32.8	-35	0	0	0	112.1	I682 Y708 L711 V732	I682-P706 HydrophobicContact CG2-CB 3.4Å; P706-Y708 HydrophobicContact CB-CD1 4.46Å; P706-Y708 HydrophobicContact CB-CE1 4.16Å; P706-L711 VanDerWaalsContact O-CD2 3.24Å; P706-L711 WeakPolarHBondContact O-CD2 3.48Å; P706-V732 CarbonylContact C-O 3.58Å; P706-V732 WeakPolarHBondContact CA-O 3.23Å
707	I	89.7	Confident	80.8	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.01	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	119	166.2	-178.8	162.2	0	0	0	114.9	I719 I731 V732 A733 T734	I707-I719 HydrophobicContact CD1-CD1 3.41Å; I707-I719 VanDerWaalsContact CD1-CD1 3.41Å; I707-I719 HydrophobicContact CD1-CG2 4.36Å; I707-I731 HydrophobicContact CG2-CG2 3.74Å; I707-V732 PolarHBondContact N-O 3.33Å; I707-A733 HydrophobicContact CG2-CB 3.43Å; I707-A733 VanDerWaalsContact CG2-CB 3.43Å; I707-A733 WeakPolarHBondContact O-CA 3.36Å; I707-T734 PolarHBondContact O-N 3.21Å; I707-T734 PolarHBondContact O-OG1 3.31Å
708	Y	86.8	Confident	81.2	Confident	31 Å²	31	57 Å²	57	12%	0.122	32%	0.32	C	S	.	.			trans	-148.3	161.7	177.1	53.3	-85.4	0	0	0	110.1	Q679 I682 P706 Q710 L711	Q679-Y708 HydrophobicContact CB-CD2 4.07Å; Q679-Y708 HydrophobicContact CB-CE2 4.25Å; Q679-Y708 HydrophobicContact CB-CG 4.27Å; Q679-Y708 HydrophobicContact CG-CD1 4.41Å; Q679-Y708 HydrophobicContact CG-CD2 4Å; Q679-Y708 HydrophobicContact CG-CE1 4.12Å; Q679-Y708 HydrophobicContact CG-CE2 3.66Å; Q679-Y708 HydrophobicContact CG-CG 4.37Å; I682-Y708 HydrophobicContact CD1-CD1 4.26Å; I682-Y708 HydrophobicContact CG2-CD1 4.3Å; P706-Y708 HydrophobicContact CB-CD1 4.46Å; P706-Y708 HydrophobicContact CB-CE1 4.16Å; Y708-Q710 VanDerWaalsContact C-N 3.25Å; Y708-Q710 HydrophobicContact CD2-CB 4.02Å; Y708-Q710 HydrophobicContact CE2-CB 4.09Å; Y708-Q710 PolarHBondContact O-N 2.72Å; Y708-Q710 VanDerWaalsContact O-N 3.15Å; Y708-L711 HydrophobicContact CD2-CB 4.31Å; Y708-L711 HydrophobicContact CE1-CB 4.37Å; Y708-L711 HydrophobicContact CE1-CD1 4.02Å; Y708-L711 HydrophobicContact CE2-CB 4.18Å; Y708-L711 HydrophobicContact CG-CB 4.46Å; Y708-L711 WeakPolarHBondContact O-CB 3.31Å; Y708-L711 PolarHBondContact O-N 3.03Å
709	S	77.7	Confident	81.6	Confident	92 Å²	92	48 Å²	48	64%	0.643	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.8	-167.2	47.6	0	0	0	0	115.4
710	Q	75.5	Confident	81.8	Confident	144 Å²	144	47.8 Å²	47.8	67%	0.673	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-7.9	178.5	-56.2	-173.7	11.6	0	0	113.2	Y708	Y708-Q710 VanDerWaalsContact C-N 3.25Å; Y708-Q710 HydrophobicContact CD2-CB 4.02Å; Y708-Q710 HydrophobicContact CE2-CB 4.09Å; Y708-Q710 PolarHBondContact O-N 2.72Å; Y708-Q710 VanDerWaalsContact O-N 3.15Å
711	L	76.9	Confident	81.6	Confident	12 Å²	12	48.5 Å²	48.5	6%	0.063	27%	0.269	C	S	.	.	S	Bend	trans	-65.7	136.8	178.8	-170.4	73.2	0	0	0	110.2	P706 Y708 L715 Q716	P706-L711 VanDerWaalsContact O-CD2 3.24Å; P706-L711 WeakPolarHBondContact O-CD2 3.48Å; Y708-L711 HydrophobicContact CD2-CB 4.31Å; Y708-L711 HydrophobicContact CE1-CB 4.37Å; Y708-L711 HydrophobicContact CE1-CD1 4.02Å; Y708-L711 HydrophobicContact CE2-CB 4.18Å; Y708-L711 HydrophobicContact CG-CB 4.46Å; Y708-L711 WeakPolarHBondContact O-CB 3.31Å; Y708-L711 PolarHBondContact O-N 3.03Å; L711-L715 HydrophobicContact CD1-CB 4.07Å; L711-L715 HydrophobicContact CD1-CD1 3.96Å; L711-L715 HydrophobicContact CD2-CB 3.92Å; L711-L715 HydrophobicContact CG-CB 3.82Å; L711-Q716 HydrophobicContact CB-CG 4.14Å; L711-Q716 HydrophobicContact CD2-CG 4.06Å; L711-Q716 HydrophobicContact CG-CG 4.34Å; L711-Q716 PolarHBondContact O-NE2 2.81Å
712	P	70.9	Confident	80.9	Confident	42 Å²	42	51.1 Å²	51.1	27%	0.273	27%	0.267	S	S	.	.			trans	-54.1	141.7	176.3	-28	35.5	0	0	0	113.7	D714 L715 Q716	P712-D714 VanDerWaalsContact CB-OD1 3.26Å; P712-D714 WeakPolarHBondContact CB-OD1 3.49Å; P712-D714 PolarHBondContact O-N 2.73Å; P712-D714 VanDerWaalsContact O-N 3.16Å; P712-L715 HydrophobicContact CG-CD1 4.42Å; P712-L715 WeakPolarHBondContact O-CA 3.42Å; P712-L715 PolarHBondContact O-N 3.06Å; P712-Q716 PolarHBondContact O-N 2.95Å
713	S	68.9	Low	80.2	Confident	68 Å²	68	50.4 Å²	50.4	48%	0.476	27%	0.265	S	S	.	.	H	α-helix	trans	-55.6	-34.9	-177.1	-46.2	0	0	0	0	113.4	Q716 A717	S713-Q716 PolarHBondContact O-N 2.75Å; S713-A717 WeakPolarHBondContact O-CB 3.16Å; S713-A717 PolarHBondContact O-N 2.96Å
714	D	71.5	Confident	79.2	Confident	60 Å²	60	52.9 Å²	52.9	32%	0.321	28%	0.28	S	S	.	.	H	α-helix	trans	-62.9	-38.8	173.6	42.4	-75	0	0	0	113.2	P712 K965	P712-D714 VanDerWaalsContact CB-OD1 3.26Å; P712-D714 WeakPolarHBondContact CB-OD1 3.49Å; P712-D714 PolarHBondContact O-N 2.73Å; P712-D714 VanDerWaalsContact O-N 3.16Å; D714-K965 IonicContact OD1-NZ 3.95Å; D714-K965 PolarHBondContact OD1-NZ 2.94Å; D714-K965 IonicContact OD2-NZ 2.86Å
715	L	76.6	Confident	78.1	Confident	68 Å²	68	58.8 Å²	58.8	36%	0.356	31%	0.311	S	S	.	.	H	α-helix	trans	-79.4	-30.6	172.8	-63.4	-175.6	0	0	0	112.1	L711 P712 A717 K718	L711-L715 HydrophobicContact CD1-CB 4.07Å; L711-L715 HydrophobicContact CD1-CD1 3.96Å; L711-L715 HydrophobicContact CD2-CB 3.92Å; L711-L715 HydrophobicContact CG-CB 3.82Å; P712-L715 HydrophobicContact CG-CD1 4.42Å; P712-L715 WeakPolarHBondContact O-CA 3.42Å; P712-L715 PolarHBondContact O-N 3.06Å; L715-A717 VanDerWaalsContact C-N 3.33Å; L715-K718 HydrophobicContact CD2-CD 3.92Å; L715-K718 PolarHBondContact O-N 3.27Å
716	Q	79.7	Confident	77.1	Confident	23 Å²	23	59.7 Å²	59.7	11%	0.107	33%	0.328	C	S	.	.	H	α-helix	trans	-63.3	-38.2	168.7	-65.1	-173.5	36.7	0	0	111.3	L711 P712 S713 K718 I719	L711-Q716 HydrophobicContact CB-CG 4.14Å; L711-Q716 HydrophobicContact CD2-CG 4.06Å; L711-Q716 HydrophobicContact CG-CG 4.34Å; L711-Q716 PolarHBondContact O-NE2 2.81Å; P712-Q716 PolarHBondContact O-N 2.95Å; S713-Q716 PolarHBondContact O-N 2.75Å; Q716-K718 VanDerWaalsContact C-N 3.28Å; Q716-K718 PolarHBondContact O-N 3.15Å; Q716-I719 VanDerWaalsContact O-CD1 3.32Å; Q716-I719 WeakPolarHBondContact O-CD1 3.35Å; Q716-I719 WeakPolarHBondContact O-CG1 3.46Å; Q716-I719 PolarHBondContact O-N 2.94Å
717	A	77.5	Confident	76.6	Confident	7 Å²	7	60 Å²	60	6%	0.058	33%	0.326	C	S	.	.	H	α-helix	trans	-62.2	-32.5	179.7	0	0	0	0	0	113.2	F435 S713 L715 I719 F720	F435-A717 HydrophobicContact CE2-CB 4.46Å; S713-A717 WeakPolarHBondContact O-CB 3.16Å; S713-A717 PolarHBondContact O-N 2.96Å; L715-A717 VanDerWaalsContact C-N 3.33Å; A717-I719 PolarHBondContact O-N 2.82Å; A717-I719 VanDerWaalsContact O-N 3.1Å; A717-F720 PolarHBondContact O-N 2.96Å; A717-F720 VanDerWaalsContact O-N 3.13Å
718	K	81.1	Confident	76.6	Confident	103 Å²	103	61.2 Å²	61.2	45%	0.448	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.7	179.9	-68.2	-179.6	-179.5	-179.4	0	114.5	L715 Q716 F720	L715-K718 HydrophobicContact CD2-CD 3.92Å; L715-K718 PolarHBondContact O-N 3.27Å; Q716-K718 VanDerWaalsContact C-N 3.28Å; Q716-K718 PolarHBondContact O-N 3.15Å; K718-F720 VanDerWaalsContact C-N 3.3Å; K718-F720 PolarHBondContact O-N 3.1Å
719	I	83.7	Confident	76.7	Confident	2 Å²	2	60 Å²	60	1%	0.01	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-32.8	177.4	76	-166.2	0	0	0	112.4	I707 Q716 A717 K729 I731 L741 L743	I707-I719 HydrophobicContact CD1-CD1 3.41Å; I707-I719 VanDerWaalsContact CD1-CD1 3.41Å; I707-I719 HydrophobicContact CD1-CG2 4.36Å; Q716-I719 VanDerWaalsContact O-CD1 3.32Å; Q716-I719 WeakPolarHBondContact O-CD1 3.35Å; Q716-I719 WeakPolarHBondContact O-CG1 3.46Å; Q716-I719 PolarHBondContact O-N 2.94Å; A717-I719 PolarHBondContact O-N 2.82Å; A717-I719 VanDerWaalsContact O-N 3.1Å; I719-K729 PolarHBondContact O-NZ 2.91Å; I719-I731 HydrophobicContact CB-CD1 4.35Å; I719-L741 HydrophobicContact CD1-CD2 4.17Å; I719-L743 HydrophobicContact CB-CD2 4.13Å; I719-L743 HydrophobicContact CD1-CD2 3.63Å; I719-L743 HydrophobicContact CG1-CD2 3.51Å
720	F	78.3	Confident	77.5	Confident	28 Å²	28	55.6 Å²	55.6	12%	0.123	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-31	-177.3	-58.7	-79.1	0	0	0	111.5	F435 M439 V445 A717 K718 L741 T742 L743	F435-F720 HydrophobicContact CZ-CE2 4.06Å; M439-F720 HydrophobicContact CE-CD2 4.39Å; M439-F720 HydrophobicContact CE-CG 4.37Å; V445-F720 WeakPolarHBondContact CG2-O 3.13Å; A717-F720 PolarHBondContact O-N 2.96Å; A717-F720 VanDerWaalsContact O-N 3.13Å; K718-F720 VanDerWaalsContact C-N 3.3Å; K718-F720 PolarHBondContact O-N 3.1Å; F720-L741 HydrophobicContact CE1-CD1 4.04Å; F720-L741 HydrophobicContact CE1-CG 4.5Å; F720-L741 HydrophobicContact CZ-CD1 3.61Å; F720-L741 HydrophobicContact CZ-CG 4.47Å; F720-T742 WeakPolarHBondContact CE1-O 3.29Å; F720-L743 HydrophobicContact CD1-CD2 4.07Å; F720-L743 HydrophobicContact CE1-CD2 4.05Å
721	Q	77.8	Confident	78.4	Confident	83 Å²	83	48.8 Å²	48.8	39%	0.388	26%	0.263	S	S	.	.	S	Bend	trans	-59.9	151.1	175.1	-65.9	174.3	-15.6	0	0	110.6	K729	Q721-K729 PolarHBondContact O-NZ 2.67Å
722	R	72	Confident	79.2	Confident	144 Å²	144	48.2 Å²	48.2	54%	0.543	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-69.7	141	169.2	-164.3	177.9	-175.2	-152.6	-0.7	108.4	V445	V445-R722 HydrophobicContact CG1-CG 4.4Å; V445-R722 HydrophobicContact CG2-CB 4.25Å
723	A	73.3	Confident	80.3	Confident	10 Å²	10	46.2 Å²	46.2	8%	0.083	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-63.6	143.8	169	0	0	0	0	0	110.1	M727 K729	A723-M727 HydrophobicContact CB-CB 4.26Å; A723-M727 VanDerWaalsContact CB-O 3.29Å; A723-M727 WeakPolarHBondContact CB-O 3.49Å; A723-K729 HydrophobicContact CB-CD 4.34Å; A723-K729 HydrophobicContact CB-CG 3.82Å
724	P	69.1	Low	81.5	Confident	83 Å²	83	43.5 Å²	43.5	54%	0.539	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-58.5	156	171.2	20.8	-27.2	0	0	0	111.2	G726 M727	P724-G726 PolarHBondContact O-N 2.87Å; P724-M727 HydrophobicContact CB-CE 4.21Å; P724-M727 HydrophobicContact CG-CE 3.74Å; P724-M727 VanDerWaalsContact O-CE 3.23Å; P724-M727 WeakPolarHBondContact O-CE 3.11Å; P724-M727 PolarHBondContact O-N 2.9Å; P724-M727 VanDerWaalsContact O-N 3.13Å
725	D	68.6	Low	82.3	Confident	156 Å²	156	43.3 Å²	43.3	83%	0.834	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	56.6	14.2	173.6	-45.4	-43	0	0	0	116.1	M727	D725-M727 VanDerWaalsContact C-N 3.26Å; D725-M727 HydrophobicContact CB-CE 4.32Å; D725-M727 PolarHBondContact O-N 2.88Å
726	G	70.5	Confident	82.7	Confident	51 Å²	51	41.6 Å²	41.6	53%	0.526	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	74	14.5	-178.1	0	0	0	0	0	114.3	P724	P724-G726 PolarHBondContact O-N 2.87Å
727	M	83	Confident	83.1	Confident	51 Å²	51	40.6 Å²	40.6	25%	0.251	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-58.4	149.1	175.7	-65.6	-176.8	-89.8	0	0	111.8	P701 A723 P724 D725	P701-M727 HydrophobicContact CB-CG 4.21Å; P701-M727 HydrophobicContact CB-SD 3.71Å; P701-M727 HydrophobicContact CG-CG 3.97Å; P701-M727 HydrophobicContact CG-SD 4.05Å; A723-M727 HydrophobicContact CB-CB 4.26Å; A723-M727 VanDerWaalsContact CB-O 3.29Å; A723-M727 WeakPolarHBondContact CB-O 3.49Å; P724-M727 HydrophobicContact CB-CE 4.21Å; P724-M727 HydrophobicContact CG-CE 3.74Å; P724-M727 VanDerWaalsContact O-CE 3.23Å; P724-M727 WeakPolarHBondContact O-CE 3.11Å; P724-M727 PolarHBondContact O-N 2.9Å; P724-M727 VanDerWaalsContact O-N 3.13Å; D725-M727 VanDerWaalsContact C-N 3.26Å; D725-M727 HydrophobicContact CB-CE 4.32Å; D725-M727 PolarHBondContact O-N 2.88Å
728	R	88.5	Confident	83.3	Confident	27 Å²	27	41 Å²	41	10%	0.102	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	142.6	171.3	177.6	-174.3	-87.8	-171.6	-3.1	110.3	I663 H664 L668 G670 L702 S703	I663-R728 VanDerWaalsContact C-NH1 3.31Å; I663-R728 PolarHBondContact O-NH1 2.95Å; H664-R728 VanDerWaalsContact CA-NH1 3.26Å; L668-R728 PolarHBondContact O-NH2 2.93Å; G670-R728 PolarHBondContact O-NE 3.01Å; L702-R728 HydrophobicContact CD1-CB 3.85Å; L702-R728 HydrophobicContact CD1-CG 3.7Å; L702-R728 WeakPolarHBondContact CD1-O 3.23Å; S703-R728 PolarHBondContact N-O 3.3Å
729	K	90.6	Very high	83.1	Confident	5 Å²	5	36.2 Å²	36.2	2%	0.022	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	139.8	166.9	-60.8	-176.3	-68.9	-175.1	0	111.2	D671 I672 S703 L705 I719 Q721 A723 I731	D671-K729 WeakPolarHBondContact CA-O 3.36Å; D671-K729 HydrophobicContact CB-CB 4.23Å; D671-K729 WeakPolarHBondContact CB-O 3.32Å; D671-K729 PolarHBondContact OD1-N 3.21Å; D671-K729 WeakPolarHBondContact OD2-CE 3.26Å; D671-K729 IonicContact OD2-NZ 2.8Å; I672-K729 PolarHBondContact N-O 3.39Å; S703-K729 CarbonylContact O-C 3.56Å; S703-K729 WeakPolarHBondContact O-CA 3.48Å; L705-K729 HydrophobicContact CD1-CD 4.08Å; L705-K729 HydrophobicContact CD1-CG 4.43Å; I719-K729 PolarHBondContact O-NZ 2.91Å; Q721-K729 PolarHBondContact O-NZ 2.67Å; A723-K729 HydrophobicContact CB-CD 4.34Å; A723-K729 HydrophobicContact CB-CG 3.82Å; K729-I731 HydrophobicContact CB-CG1 4.41Å
730	C	93.2	Very high	82.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	104	163.5	177.6	0	0	0	0	108.5	I672 L702 S703 V704 L705	I672-C730 HydrophobicContact CB-CB 4.38Å; I672-C730 CarbonylContact O-C 3.54Å; I672-C730 WeakPolarHBondContact O-CA 3.38Å; L702-C730 HydrophobicContact CD1-CB 3.91Å; L702-C730 HydrophobicContact CD2-CB 3.7Å; L702-C730 HydrophobicContact CG-CB 3.92Å; S703-C730 PolarHBondContact O-N 2.89Å; V704-C730 WeakPolarHBondContact CA-O 3.3Å; L705-C730 PolarHBondContact N-O 2.94Å
731	I	93.9	Very high	82.1	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	122.9	-178.5	-58.4	174	0	0	0	108.3	I672 L673 I674 L705 I707 I719 K729 A733 L743	I672-I731 PolarHBondContact O-N 2.86Å; L673-I731 CarbonylContact C-O 3.56Å; L673-I731 WeakPolarHBondContact CA-O 3.34Å; L673-I731 HydrophobicContact CD1-CB 4.01Å; L673-I731 HydrophobicContact CD1-CG2 3.85Å; I674-I731 PolarHBondContact N-O 3.05Å; L705-I731 CarbonylContact O-C 3.59Å; L705-I731 WeakPolarHBondContact O-CA 3.21Å; I707-I731 HydrophobicContact CG2-CG2 3.74Å; I719-I731 HydrophobicContact CB-CD1 4.35Å; K729-I731 HydrophobicContact CB-CG1 4.41Å; I731-A733 HydrophobicContact CG2-CB 4.43Å; I731-L743 HydrophobicContact CD1-CD1 4.04Å
732	V	95.3	Very high	81.8	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	107.8	179.4	-167	0	0	0	0	108.8	I674 M676 I682 T685 I689 V704 L705 P706 I707	I674-V732 HydrophobicContact CB-CG1 4.28Å; I674-V732 HydrophobicContact CB-CG2 4.49Å; I674-V732 HydrophobicContact CD1-CG2 4.22Å; I674-V732 HydrophobicContact CG2-CG1 4.49Å; M676-V732 HydrophobicContact CB-CG1 4.36Å; M676-V732 HydrophobicContact CG-CG1 3.89Å; I682-V732 HydrophobicContact CB-CG1 4.39Å; I682-V732 HydrophobicContact CG1-CG1 4.09Å; I682-V732 HydrophobicContact CG2-CB 4.24Å; I682-V732 HydrophobicContact CG2-CG1 4.2Å; T685-V732 HydrophobicContact CG2-CG1 3.76Å; T685-V732 HydrophobicContact CG2-CG2 4.29Å; I689-V732 HydrophobicContact CD1-CG2 4.38Å; V704-V732 HydrophobicContact CG1-CG2 4.32Å; L705-V732 PolarHBondContact O-N 3.34Å; P706-V732 CarbonylContact C-O 3.58Å; P706-V732 WeakPolarHBondContact CA-O 3.23Å; I707-V732 PolarHBondContact N-O 3.33Å
733	A	93.9	Very high	82.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.3	-158.6	0	0	0	0	0	114	L673 I674 F675 M676 I707 I731 A737	L673-A733 HydrophobicContact CD1-CB 3.66Å; I674-A733 PolarHBondContact O-N 3.42Å; F675-A733 CarbonylContact C-O 3.54Å; F675-A733 WeakPolarHBondContact CA-O 3.48Å; M676-A733 PolarHBondContact N-O 3.46Å; I707-A733 HydrophobicContact CG2-CB 3.43Å; I707-A733 VanDerWaalsContact CG2-CB 3.43Å; I707-A733 WeakPolarHBondContact O-CA 3.36Å; I731-A733 HydrophobicContact CG2-CB 4.43Å; A733-A737 HydrophobicContact CB-CB 3.81Å
734	T	92.3	Very high	82.3	Confident	11 Å²	11	30.9 Å²	30.9	7%	0.067	18%	0.182	C	C	.	.			trans	-71.9	178.8	158.3	49.1	0	0	0	0	111.5	M676 I682 I707 I736 A737	M676-T734 WeakPolarHBondContact O-CA 3.41Å; I682-T734 HydrophobicContact CD1-CG2 3.65Å; I707-T734 PolarHBondContact O-N 3.21Å; I707-T734 PolarHBondContact O-OG1 3.31Å; T734-I736 PolarHBondContact O-N 3.42Å; T734-I736 VanDerWaalsContact OG1-CD1 3.3Å; T734-I736 WeakPolarHBondContact OG1-CD1 3.25Å; T734-I736 VanDerWaalsContact OG1-CG1 3.31Å; T734-I736 WeakPolarHBondContact OG1-CG1 3.43Å; T734-A737 PolarHBondContact O-N 2.94Å
735	N	89.1	Confident	83	Confident	56 Å²	56	27.6 Å²	27.6	30%	0.299	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-56.9	-4.5	170.4	65.3	-29.5	0	0	0	114.5	R515 A737 E738	R515-N735 PolarHBondContact NH1-O 2.97Å; R515-N735 PolarHBondContact NH2-O 3.27Å; N735-A737 PolarHBondContact O-N 2.88Å; N735-E738 HydrophobicContact CB-CB 4.25Å; N735-E738 WeakPolarHBondContact CB-OE2 3.37Å; N735-E738 WeakPolarHBondContact O-CB 3.36Å; N735-E738 PolarHBondContact O-N 2.81Å
736	I	85.6	Confident	83.9	Confident	33 Å²	33	20.4 Å²	20.4	17%	0.169	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-55.4	-30.7	168.8	-63.2	174.2	0	0	0	112.2	R515 T734	R515-I736 VanDerWaalsContact NH1-C 3.27Å; R515-I736 VanDerWaalsContact NH1-CA 3.28Å; R515-I736 PolarHBondContact NH1-O 2.81Å; T734-I736 PolarHBondContact O-N 3.42Å; T734-I736 VanDerWaalsContact OG1-CD1 3.3Å; T734-I736 WeakPolarHBondContact OG1-CD1 3.25Å; T734-I736 VanDerWaalsContact OG1-CG1 3.31Å; T734-I736 WeakPolarHBondContact OG1-CG1 3.43Å
737	A	87.1	Confident	84.9	Confident	1 Å²	1	19.6 Å²	19.6	1%	0.008	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-83.1	-5.8	175.1	0	0	0	0	0	114.5	L673 F675 A733 T734 N735 L741 R785	L673-A737 HydrophobicContact CD1-CB 4.15Å; L673-A737 HydrophobicContact CD2-CB 4.15Å; F675-A737 HydrophobicContact CE1-CB 3.97Å; F675-A737 HydrophobicContact CZ-CB 4.27Å; A733-A737 HydrophobicContact CB-CB 3.81Å; T734-A737 PolarHBondContact O-N 2.94Å; N735-A737 PolarHBondContact O-N 2.88Å; A737-L741 HydrophobicContact CB-CD2 4.2Å; A737-R785 VanDerWaalsContact O-CD 3.24Å; A737-R785 WeakPolarHBondContact O-CD 3.32Å; A737-R785 PolarHBondContact O-NE 2.85Å; A737-R785 PolarHBondContact O-NH1 3.22Å
738	E	83.1	Confident	85.5	Confident	16 Å²	16	17.6 Å²	17.6	8%	0.075	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-37.6	-168.5	-165.8	174.4	113.8	0	0	114.7	F675 N735 S778 Q781 R782 R785	F675-E738 HydrophobicContact CE1-CB 4.14Å; N735-E738 HydrophobicContact CB-CB 4.25Å; N735-E738 WeakPolarHBondContact CB-OE2 3.37Å; N735-E738 WeakPolarHBondContact O-CB 3.36Å; N735-E738 PolarHBondContact O-N 2.81Å; E738-S778 VanDerWaalsContact CD-OG 3.29Å; E738-S778 WeakPolarHBondContact OE1-CB 3.39Å; E738-S778 PolarHBondContact OE1-OG 2.83Å; E738-S778 VanDerWaalsContact OE1-OG 3.06Å; E738-S778 PolarHBondContact OE2-OG 2.94Å; E738-Q781 HydrophobicContact CG-CB 4.33Å; E738-R782 HydrophobicContact CG-CG 3.87Å; E738-R782 IonicContact OE2-CZ 3.27Å; E738-R782 IonicContact OE2-NE 2.77Å; E738-R782 PolarHBondContact OE2-NE 2.7Å; E738-R782 IonicContact OE2-NH2 2.9Å; E738-R782 PolarHBondContact OE2-NH2 3.39Å; E738-R785 VanDerWaalsContact C-CZ 3.47Å; E738-R785 PolarHBondContact O-NE 2.79Å; E738-R785 VanDerWaalsContact O-NE 3.17Å; E738-R785 PolarHBondContact O-NH2 2.96Å
739	T	75.6	Confident	85.8	Confident	3 Å²	3	16.3 Å²	16.3	2%	0.018	9%	0.093	C	C	.	.	S	Bend	trans	-120.7	157.6	174.1	56.7	0	0	0	0	110	R515 E585 L741	R515-T739 PolarHBondContact NE-OG1 3.13Å; R515-T739 PolarHBondContact NH1-OG1 3.26Å; R515-T739 PolarHBondContact NH2-OG1 3.03Å; R515-T739 VanDerWaalsContact NH2-OG1 3.16Å; E585-T739 PolarHBondContact OE2-OG1 3.26Å; T739-L741 VanDerWaalsContact C-N 3.26Å; T739-L741 PolarHBondContact O-N 3.4Å
740	S	68.7	Low	86.1	Confident	9 Å²	9	16 Å²	16	6%	0.063	9%	0.092	C	C	.	.	S	Bend	trans	55.5	-49.5	176.6	-46.5	0	0	0	0	119.7	Q513 E582 T742	Q513-S740 PolarHBondContact OE1-OG 3.42Å; E582-S740 PolarHBondContact OE2-N 2.86Å; S740-T742 PolarHBondContact O-N 3.28Å
741	L	73.7	Confident	86.2	Confident	8 Å²	8	16 Å²	16	4%	0.042	9%	0.092	C	C	.	.			trans	-58.5	123.8	-170.1	-163.1	73.3	0	0	0	112.6	V517 I719 F720 A737 T739 L743 R785 R788	V517-L741 HydrophobicContact CG1-CD1 4.15Å; I719-L741 HydrophobicContact CD1-CD2 4.17Å; F720-L741 HydrophobicContact CE1-CD1 4.04Å; F720-L741 HydrophobicContact CE1-CG 4.5Å; F720-L741 HydrophobicContact CZ-CD1 3.61Å; F720-L741 HydrophobicContact CZ-CG 4.47Å; A737-L741 HydrophobicContact CB-CD2 4.2Å; T739-L741 VanDerWaalsContact C-N 3.26Å; T739-L741 PolarHBondContact O-N 3.4Å; L741-L743 HydrophobicContact CD2-CD1 3.9Å; L741-L743 HydrophobicContact CD2-CD2 4.06Å; L741-L743 HydrophobicContact CD2-CG 3.94Å; L741-L743 HydrophobicContact CG-CD2 4.25Å; L741-L743 HydrophobicContact CG-CG 4.14Å; L741-R785 PolarHBondContact O-NH1 3.09Å; L741-R788 PolarHBondContact O-NH1 3.28Å
742	T	69.8	Low	86.3	Confident	73 Å²	73	16 Å²	16	45%	0.448	9%	0.092	S	C	.	.			trans	-99.6	105	176	48.5	0	0	0	0	110.9	F720 S740	F720-T742 WeakPolarHBondContact CE1-O 3.29Å; S740-T742 PolarHBondContact O-N 3.28Å
743	L	78.8	Confident	86.2	Confident	10 Å²	10	16 Å²	16	5%	0.052	9%	0.092	C	C	.	.			trans	-109.3	109.9	175.5	-62.8	177	0	0	0	108.4	I719 F720 I731 L741 I746	I719-L743 HydrophobicContact CB-CD2 4.13Å; I719-L743 HydrophobicContact CD1-CD2 3.63Å; I719-L743 HydrophobicContact CG1-CD2 3.51Å; F720-L743 HydrophobicContact CD1-CD2 4.07Å; F720-L743 HydrophobicContact CE1-CD2 4.05Å; I731-L743 HydrophobicContact CD1-CD1 4.04Å; L741-L743 HydrophobicContact CD2-CD1 3.9Å; L741-L743 HydrophobicContact CD2-CD2 4.06Å; L741-L743 HydrophobicContact CD2-CG 3.94Å; L741-L743 HydrophobicContact CG-CD2 4.25Å; L741-L743 HydrophobicContact CG-CG 4.14Å; L743-I746 HydrophobicContact CB-CD1 3.42Å; L743-I746 VanDerWaalsContact CB-CD1 3.42Å; L743-I746 HydrophobicContact CB-CG1 4.17Å; L743-I746 HydrophobicContact CD1-CD1 3.78Å; L743-I746 HydrophobicContact CG-CD1 4.23Å
744	D	77.1	Confident	86.3	Confident	55 Å²	55	16.3 Å²	16.3	29%	0.294	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	143.2	178.6	-82.5	14.9	0	0	0	111.2	V445 T789	V445-D744 HydrophobicContact CB-CB 3.91Å; D744-T789 HydrophobicContact CB-CG2 4.39Å
745	G	83.9	Confident	86.3	Confident	14 Å²	14	16.3 Å²	16.3	14%	0.144	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.5	-13.9	174.2	0	0	0	0	0	115.2	D671 L747 T789	D671-G745 PolarHBondContact N-O 3.15Å; G745-L747 PolarHBondContact O-N 2.9Å; G745-T789 PolarHBondContact N-OG1 3.17Å
746	I	89	Confident	86.4	Confident	4 Å²	4	16.3 Å²	16.3	2%	0.021	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	120.1	176.5	-59.1	171.4	0	0	0	109.9	D671 L673 L743 V749	D671-I746 HydrophobicContact CB-CG1 4.5Å; L673-I746 HydrophobicContact CB-CD1 3.89Å; L673-I746 HydrophobicContact CB-CG1 4.41Å; L673-I746 HydrophobicContact CB-CG2 3.97Å; L673-I746 HydrophobicContact CD2-CD1 3.92Å; L673-I746 HydrophobicContact CG-CD1 4.35Å; L743-I746 HydrophobicContact CB-CD1 3.42Å; L743-I746 VanDerWaalsContact CB-CD1 3.42Å; L743-I746 HydrophobicContact CB-CG1 4.17Å; L743-I746 HydrophobicContact CD1-CD1 3.78Å; L743-I746 HydrophobicContact CG-CD1 4.23Å; I746-V749 HydrophobicContact CG2-CG2 4.24Å
747	L	91.2	Very high	86.5	Confident	35 Å²	35	16.1 Å²	16.1	18%	0.183	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	-15.5	167.4	-59.6	-177.5	0	0	0	112.3	D671 G745 G792 Q793	D671-L747 PolarHBondContact O-N 2.86Å; D671-L747 VanDerWaalsContact O-N 3.09Å; G745-L747 PolarHBondContact O-N 2.9Å; L747-G792 CarbonylContact O-C 3.47Å; L747-G792 WeakPolarHBondContact O-CA 3.4Å; L747-Q793 PolarHBondContact O-N 3.45Å
748	F	94.5	Very high	86.5	Confident	8 Å²	8	20.2 Å²	20.2	4%	0.035	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131	178.9	-56.4	-74.5	0	0	0	111.8	I663 L668 Q669 D671 I672 L673 Q793 Y795	I663-F748 HydrophobicContact CG2-CB 4.03Å; I663-F748 HydrophobicContact CG2-CD1 3.77Å; I663-F748 HydrophobicContact CG2-CD2 3.71Å; I663-F748 HydrophobicContact CG2-CE1 4.2Å; I663-F748 HydrophobicContact CG2-CE2 4.13Å; I663-F748 HydrophobicContact CG2-CG 3.53Å; I663-F748 HydrophobicContact CG2-CZ 4.37Å; L668-F748 HydrophobicContact CB-CE2 4.21Å; L668-F748 HydrophobicContact CB-CZ 3.63Å; L668-F748 HydrophobicContact CD1-CE1 3.75Å; L668-F748 HydrophobicContact CD1-CZ 3.61Å; L668-F748 HydrophobicContact CG-CZ 4.28Å; Q669-F748 VanDerWaalsContact O-CE2 3.28Å; Q669-F748 WeakPolarHBondContact O-CE2 3.29Å; D671-F748 PolarHBondContact O-N 3.49Å; I672-F748 CarbonylContact C-O 3.58Å; I672-F748 WeakPolarHBondContact CA-O 3.36Å; I672-F748 HydrophobicContact CB-CB 4.48Å; I672-F748 HydrophobicContact CG1-CB 4.13Å; I672-F748 HydrophobicContact CG1-CD2 4.32Å; I672-F748 HydrophobicContact CG2-CB 4.5Å; L673-F748 PolarHBondContact N-O 3.18Å; F748-Q793 WeakPolarHBondContact CA-O 3.46Å; F748-Q793 HydrophobicContact CD1-CB 4.12Å; F748-Q793 HydrophobicContact CE1-CB 4.37Å; F748-Q793 HydrophobicContact CE1-CG 4.44Å; F748-Y795 HydrophobicContact CD1-CE2 4.23Å
749	V	95.2	Very high	86.7	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.2	171.4	171.2	0	0	0	0	109.8	L673 F675 I746 R785 A786 Q793 C794 Y795	L673-V749 HydrophobicContact CB-CG2 4.4Å; L673-V749 CarbonylContact O-C 3.58Å; L673-V749 WeakPolarHBondContact O-CA 3.41Å; F675-V749 HydrophobicContact CD2-CG1 4.05Å; F675-V749 HydrophobicContact CE2-CG1 3.87Å; I746-V749 HydrophobicContact CG2-CG2 4.24Å; V749-R785 HydrophobicContact CG2-CB 4.14Å; V749-A786 HydrophobicContact CG2-CB 3.99Å; V749-Q793 PolarHBondContact N-O 3.22Å; V749-C794 HydrophobicContact CB-CB 4.34Å; V749-C794 CarbonylContact O-C 3.55Å; V749-C794 WeakPolarHBondContact O-CA 3.1Å; V749-Y795 PolarHBondContact O-N 3.12Å
750	V	96.5	Very high	87.1	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116.6	170.1	-177.6	0	0	0	0	108.2	A656 Q659 I663 I672 L673 I674 F675 Y795 L797	A656-V750 HydrophobicContact CB-CG1 4.18Å; Q659-V750 HydrophobicContact CB-CG1 4.44Å; Q659-V750 HydrophobicContact CG-CG1 4.41Å; Q659-V750 HydrophobicContact CG-CG2 4.13Å; I663-V750 HydrophobicContact CD1-CG2 3.74Å; I672-V750 HydrophobicContact CG2-CG2 4.34Å; L673-V750 PolarHBondContact O-N 3.02Å; I674-V750 WeakPolarHBondContact CA-O 3.45Å; I674-V750 HydrophobicContact CB-CB 4.48Å; I674-V750 HydrophobicContact CG1-CB 4.24Å; I674-V750 HydrophobicContact CG1-CG2 4.49Å; I674-V750 HydrophobicContact CG2-CB 4.28Å; I674-V750 HydrophobicContact CG2-CG1 4.4Å; F675-V750 PolarHBondContact N-O 3.02Å; V750-Y795 WeakPolarHBondContact CA-O 3.39Å; V750-L797 HydrophobicContact CG1-CD1 3.88Å; V750-L797 HydrophobicContact CG1-CD2 4.24Å; V750-L797 HydrophobicContact CG1-CG 4.14Å
751	D	96.1	Very high	87.7	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	109.7	-178	179.2	31.3	0	0	0	110.8	G753 R782 Y795 R796 L797 Y798	D751-G753 PolarHBondContact O-N 3.35Å; D751-G753 PolarHBondContact OD1-N 3.34Å; D751-R782 VanDerWaalsContact OD1-CD 3.24Å; D751-R782 WeakPolarHBondContact OD1-CD 3.39Å; D751-R782 IonicContact OD1-CZ 2.73Å; D751-R782 IonicContact OD1-NE 3.65Å; D751-R782 IonicContact OD1-NH1 2.72Å; D751-R782 PolarHBondContact OD1-NH1 3.06Å; D751-Y795 PolarHBondContact N-O 3.09Å; D751-R796 WeakPolarHBondContact O-CA 3.45Å; D751-L797 PolarHBondContact O-N 3.22Å; D751-Y798 WeakPolarHBondContact O-CE1 3.41Å; D751-Y798 WeakPolarHBondContact OD2-CE1 3.22Å; D751-Y798 PolarHBondContact OD2-OH 3.46Å
752	P	95	Very high	87.8	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.006	13%	0.132	C	C	.	.			trans	-75.2	-8.7	172.2	31.7	-35.1	0	0	0	113.5	Y652 F675 M676 Y754 L797	Y652-P752 HydrophobicContact CD2-CB 4.07Å; Y652-P752 HydrophobicContact CG-CB 4.22Å; F675-P752 WeakPolarHBondContact O-CD 3.29Å; F675-P752 WeakPolarHBondContact O-CG 2.78Å; M676-P752 HydrophobicContact SD-CG 4.49Å; P752-Y754 HydrophobicContact CB-CD2 4.18Å; P752-Y754 VanDerWaalsContact O-CD2 3.3Å; P752-Y754 WeakPolarHBondContact O-CD2 3.36Å; P752-Y754 WeakPolarHBondContact O-CE2 3.35Å; P752-L797 HydrophobicContact CB-CD1 4.24Å
753	G	94.1	Very high	87.9	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	80.6	17.8	176.2	0	0	0	0	0	115.1	D751 P773 V774	D751-G753 PolarHBondContact O-N 3.35Å; D751-G753 PolarHBondContact OD1-N 3.34Å; G753-P773 CarbonylContact O-C 3.59Å; G753-P773 WeakPolarHBondContact O-CA 3.34Å; G753-V774 PolarHBondContact O-N 2.83Å
754	Y	95	Very high	87.7	Confident	6 Å²	6	28.3 Å²	28.3	2%	0.024	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	158.1	177.7	-59.1	-69.9	0	0	0	113.4	M371 I374 A375 Y652 P752 V771 F772 P773 R782	M371-Y754 HydrophobicContact CB-CE1 4.16Å; M371-Y754 HydrophobicContact CE-CD1 4.49Å; M371-Y754 HydrophobicContact CE-CE1 3.89Å; M371-Y754 HydrophobicContact CE-CE2 4.37Å; M371-Y754 WeakPolarHBondContact O-CE1 3.24Å; I374-Y754 HydrophobicContact CG2-CE2 4.45Å; I374-Y754 WeakPolarHBondContact CG2-OH 3.27Å; A375-Y754 HydrophobicContact CB-CD1 4.06Å; A375-Y754 HydrophobicContact CB-CE1 3.94Å; Y652-Y754 AromaticContact CD1-CD2 3.67Å; Y652-Y754 HydrophobicContact CD1-CD2 3.67Å; Y652-Y754 AromaticContact CD1-CE2 3.44Å; Y652-Y754 HydrophobicContact CD1-CE2 3.44Å; Y652-Y754 VanDerWaalsContact CD1-CE2 3.44Å; Y652-Y754 HydrophobicContact CD2-CD2 4.16Å; Y652-Y754 AromaticContact CE1-CD2 4Å; Y652-Y754 HydrophobicContact CE1-CD2 4Å; Y652-Y754 HydrophobicContact CE1-CE2 4.06Å; Y652-Y754 HydrophobicContact CE2-CD2 4.46Å; Y652-Y754 AromaticContact CG-CD2 3.75Å; Y652-Y754 HydrophobicContact CG-CD2 3.75Å; Y652-Y754 AromaticContact CG-CE2 3.75Å; Y652-Y754 HydrophobicContact CG-CE2 3.75Å; P752-Y754 HydrophobicContact CB-CD2 4.18Å; P752-Y754 VanDerWaalsContact O-CD2 3.3Å; P752-Y754 WeakPolarHBondContact O-CD2 3.36Å; P752-Y754 WeakPolarHBondContact O-CE2 3.35Å; Y754-V771 HydrophobicContact CD1-CG1 4.29Å; Y754-V771 HydrophobicContact CG-CG1 4.4Å; Y754-F772 WeakPolarHBondContact CA-O 3.34Å; Y754-P773 HydrophobicContact CE1-CG 4.5Å; Y754-R782 PolarHBondContact O-NH1 2.52Å; Y754-R782 PolarHBondContact O-NH2 2.95Å
755	C	93.1	Very high	87.5	Confident	10 Å²	10	27.1 Å²	27.1	7%	0.068	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	161.6	168.6	59.7	0	0	0	0	110.7	V771 F772 V774	C755-V771 WeakPolarHBondContact O-CA 3.4Å; C755-F772 PolarHBondContact N-O 2.91Å; C755-F772 PolarHBondContact O-N 3.32Å; C755-V774 HydrophobicContact CB-CG1 4.14Å
756	K	90.4	Very high	87.2	Confident	56 Å²	56	26.8 Å²	26.8	24%	0.243	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.1	166.9	-77.9	169.9	-169.8	168.4	0	109.3	P677 D681 L769 Q770 V771	P677-K756 HydrophobicContact CB-CG 4.16Å; P677-K756 WeakPolarHBondContact O-CB 3.36Å; P677-K756 VanDerWaalsContact O-CD 3.25Å; P677-K756 WeakPolarHBondContact O-CD 3.41Å; P677-K756 VanDerWaalsContact O-CG 3.25Å; P677-K756 WeakPolarHBondContact O-CG 3.3Å; D681-K756 VanDerWaalsContact CG-NZ 3.31Å; D681-K756 IonicContact OD1-NZ 3.74Å; D681-K756 PolarHBondContact OD1-NZ 3.3Å; D681-K756 VanDerWaalsContact OD1-NZ 3.17Å; D681-K756 IonicContact OD2-NZ 2.67Å; D681-K756 PolarHBondContact OD2-NZ 3.11Å; K756-L769 HydrophobicContact CB-CD1 3.98Å; K756-L769 HydrophobicContact CB-CG 4.11Å; K756-Q770 CarbonylContact C-O 3.56Å; K756-Q770 WeakPolarHBondContact CA-O 3.32Å; K756-V771 HydrophobicContact CD-CG2 4.18Å; K756-V771 HydrophobicContact CG-CG2 3.7Å
757	L	88.7	Confident	86.7	Confident	29 Å²	29	28.2 Å²	28.2	15%	0.152	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.5	179.1	-56.8	176.1	0	0	0	110.2	P363 Q770 F772	P363-L757 HydrophobicContact CB-CD1 4.18Å; L757-Q770 PolarHBondContact N-O 3Å; L757-Q770 PolarHBondContact O-N 2.85Å; L757-Q770 VanDerWaalsContact O-N 3.15Å; L757-F772 HydrophobicContact CB-CD2 3.91Å; L757-F772 HydrophobicContact CB-CE2 4.39Å; L757-F772 HydrophobicContact CD1-CB 4.21Å; L757-F772 HydrophobicContact CD1-CD2 4.06Å; L757-F772 HydrophobicContact CD1-CG 4.45Å; L757-F772 HydrophobicContact CG-CD2 4.21Å
758	K	86.8	Confident	86.2	Confident	88 Å²	88	27 Å²	27	38%	0.383	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	126.2	169.7	-176.1	175.6	-179.6	177	0	109.4	D767 A768 R817	K758-D767 WeakPolarHBondContact CE-OD1 3.4Å; K758-D767 WeakPolarHBondContact CE-OD2 3.22Å; K758-D767 VanDerWaalsContact NZ-CG 3.31Å; K758-D767 IonicContact NZ-OD1 3.89Å; K758-D767 IonicContact NZ-OD2 3.2Å; K758-D767 PolarHBondContact NZ-OD2 2.9Å; K758-A768 CarbonylContact C-O 3.55Å; K758-A768 WeakPolarHBondContact CA-O 3.32Å; K758-R817 PolarHBondContact O-NH1 2.67Å; K758-R817 PolarHBondContact O-NH2 3.15Å
759	V	87.7	Confident	85.7	Confident	33 Å²	33	32.3 Å²	32.3	20%	0.2	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125.6	178.2	176.4	0	0	0	0	109.4	P363 A768 F772 R817	P363-V759 HydrophobicContact CG-CG2 4.1Å; V759-A768 PolarHBondContact N-O 3Å; V759-A768 PolarHBondContact O-N 3.05Å; V759-F772 HydrophobicContact CG2-CE2 3.64Å; V759-F772 HydrophobicContact CG2-CZ 4.06Å; V759-R817 CarbonylContact C-O 3.43Å; V759-R817 WeakPolarHBondContact CA-O 3.31Å
760	F	83.4	Confident	85.4	Confident	10 Å²	10	36.1 Å²	36.1	4%	0.044	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.8	176.7	-178.4	-119.9	0	0	0	110.8	P762 D767 R817 N819 N851	F760-P762 HydrophobicContact CD1-CB 4.31Å; F760-P762 HydrophobicContact CE1-CB 3.98Å; F760-P762 WeakPolarHBondContact O-CD 3.41Å; F760-D767 WeakPolarHBondContact CB-OD1 3.33Å; F760-D767 WeakPolarHBondContact CD2-OD1 3.5Å; F760-R817 WeakPolarHBondContact CB-O 3.24Å; F760-R817 PolarHBondContact N-O 3.02Å; F760-N819 HydrophobicContact CD1-CB 4.23Å; F760-N819 HydrophobicContact CD2-CB 3.94Å; F760-N819 HydrophobicContact CE1-CB 4.08Å; F760-N819 HydrophobicContact CE2-CB 3.79Å; F760-N819 HydrophobicContact CG-CB 4.15Å; F760-N819 HydrophobicContact CZ-CB 3.86Å; F760-N851 WeakPolarHBondContact CZ-ND2 3.38Å
761	N	81.4	Confident	85.1	Confident	66 Å²	66	37.4 Å²	37.4	35%	0.353	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	106	168.4	-176.8	-27.4	0	0	0	109.3	R763 I764 G765 M766	N761-R763 PolarHBondContact O-N 2.79Å; N761-R763 PolarHBondContact OD1-N 3.22Å; N761-I764 HydrophobicContact CB-CB 4.47Å; N761-I764 WeakPolarHBondContact ND2-CD1 3.29Å; N761-I764 PolarHBondContact O-N 2.88Å; N761-I764 PolarHBondContact OD1-N 2.95Å; N761-G765 PolarHBondContact O-N 2.59Å; N761-M766 PolarHBondContact N-O 3.14Å; N761-M766 PolarHBondContact O-N 2.8Å
762	P	75.9	Confident	84.9	Confident	18 Å²	18	38.5 Å²	38.5	12%	0.117	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-19	-174.1	29.2	-37.7	0	0	0	113.8	F760 D847 N848 N851	F760-P762 HydrophobicContact CD1-CB 4.31Å; F760-P762 HydrophobicContact CE1-CB 3.98Å; F760-P762 WeakPolarHBondContact O-CD 3.41Å; P762-D847 HydrophobicContact CB-CB 4.05Å; P762-D847 HydrophobicContact CG-CB 3.73Å; P762-N848 WeakPolarHBondContact CG-OD1 3.45Å; P762-N851 HydrophobicContact CB-CB 4.39Å; P762-N851 PolarHBondContact O-ND2 2.86Å
763	R	72.3	Confident	84.9	Confident	122 Å²	122	39.2 Å²	39.2	46%	0.46	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-31.4	179.7	-61.7	-176.1	-176.8	170.1	1.4	112.8	N761 D847	N761-R763 PolarHBondContact O-N 2.79Å; N761-R763 PolarHBondContact OD1-N 3.22Å; R763-D847 IonicContact NE-OD2 3.15Å
764	I	74.3	Confident	84.9	Confident	39 Å²	39	39.4 Å²	39.4	20%	0.2	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-32.9	175.4	-55.3	176.6	0	0	0	110.1	N761 M766 M1026 L1051	N761-I764 HydrophobicContact CB-CB 4.47Å; N761-I764 WeakPolarHBondContact ND2-CD1 3.29Å; N761-I764 PolarHBondContact O-N 2.88Å; N761-I764 PolarHBondContact OD1-N 2.95Å; I764-M766 VanDerWaalsContact C-N 3.35Å; I764-M766 HydrophobicContact CB-CB 4.06Å; I764-M766 HydrophobicContact CD1-CE 4.18Å; I764-M766 HydrophobicContact CG2-CB 3.61Å; I764-M766 HydrophobicContact CG2-CE 4.5Å; I764-M1026 HydrophobicContact CD1-CE 4.01Å; I764-M1026 HydrophobicContact CD1-SD 3.96Å; I764-M1026 HydrophobicContact CG1-SD 4.33Å; I764-M1026 HydrophobicContact CG2-SD 3.52Å; I764-M1026 VanDerWaalsContact CG2-SD 3.52Å; I764-L1051 HydrophobicContact CG2-CD2 4.46Å
765	G	73.6	Confident	84.7	Confident	30 Å²	30	39.3 Å²	39.3	31%	0.309	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	22.6	-166.8	0	0	0	0	0	112.6	N761	N761-G765 PolarHBondContact O-N 2.59Å
766	M	76.5	Confident	84.6	Confident	7 Å²	7	41 Å²	41	3%	0.034	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	133.4	-175	180	169.2	69.8	0	0	111.1	N761 I764 L1051 M1053 E1057	N761-M766 PolarHBondContact N-O 3.14Å; N761-M766 PolarHBondContact O-N 2.8Å; I764-M766 VanDerWaalsContact C-N 3.35Å; I764-M766 HydrophobicContact CB-CB 4.06Å; I764-M766 HydrophobicContact CD1-CE 4.18Å; I764-M766 HydrophobicContact CG2-CB 3.61Å; I764-M766 HydrophobicContact CG2-CE 4.5Å; M766-L1051 HydrophobicContact CG-CD2 4.47Å; M766-L1051 HydrophobicContact SD-CD2 3.88Å; M766-L1051 HydrophobicContact SD-CG 3.97Å; M766-M1053 HydrophobicContact CE-CB 3.91Å; M766-M1053 HydrophobicContact CE-CE 4.38Å; M766-M1053 HydrophobicContact CE-CG 4.02Å; M766-M1053 HydrophobicContact CE-SD 3.74Å; M766-M1053 HydrophobicContact SD-CB 3.88Å; M766-M1053 HydrophobicContact SD-CG 4.48Å; M766-E1057 HydrophobicContact CE-CG 4.3Å; M766-E1057 HydrophobicContact SD-CG 4.17Å
767	D	78.5	Confident	84.5	Confident	34 Å²	34	38.8 Å²	38.8	18%	0.182	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	133	166.3	-84.7	-44.6	0	0	0	109.9	K758 F760	K758-D767 WeakPolarHBondContact CE-OD1 3.4Å; K758-D767 WeakPolarHBondContact CE-OD2 3.22Å; K758-D767 VanDerWaalsContact NZ-CG 3.31Å; K758-D767 IonicContact NZ-OD1 3.89Å; K758-D767 IonicContact NZ-OD2 3.2Å; K758-D767 PolarHBondContact NZ-OD2 2.9Å; F760-D767 WeakPolarHBondContact CB-OD1 3.33Å; F760-D767 WeakPolarHBondContact CD2-OD1 3.5Å
768	A	82	Confident	84.6	Confident	10 Å²	10	37.6 Å²	37.6	8%	0.083	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139	177	0	0	0	0	0	110.9	K758 V759 Q770 M1053	K758-A768 CarbonylContact C-O 3.55Å; K758-A768 WeakPolarHBondContact CA-O 3.32Å; V759-A768 PolarHBondContact N-O 3Å; V759-A768 PolarHBondContact O-N 3.05Å; A768-Q770 HydrophobicContact CB-CG 4.21Å; A768-M1053 HydrophobicContact CB-CB 4.1Å; A768-M1053 HydrophobicContact CB-SD 4.35Å
769	L	83.9	Confident	84.8	Confident	119 Å²	119	33.4 Å²	33.4	62%	0.623	18%	0.177	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	98.9	174	-175.7	67.2	0	0	0	109.3	K756	K756-L769 HydrophobicContact CB-CD1 3.98Å; K756-L769 HydrophobicContact CB-CG 4.11Å
770	Q	87.2	Confident	84.8	Confident	81 Å²	81	35 Å²	35	38%	0.379	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	152.5	-173.7	-67	179.8	-2.7	0	0	111.7	K756 L757 A768 F772	K756-Q770 CarbonylContact C-O 3.56Å; K756-Q770 WeakPolarHBondContact CA-O 3.32Å; L757-Q770 PolarHBondContact N-O 3Å; L757-Q770 PolarHBondContact O-N 2.85Å; L757-Q770 VanDerWaalsContact O-N 3.15Å; A768-Q770 HydrophobicContact CB-CG 4.21Å; Q770-F772 HydrophobicContact CB-CD2 4.34Å; Q770-F772 HydrophobicContact CB-CE2 3.58Å; Q770-F772 HydrophobicContact CB-CZ 3.85Å; Q770-F772 WeakPolarHBondContact O-CD2 3.5Å
771	V	91.3	Very high	85	Confident	27 Å²	27	35 Å²	35	16%	0.164	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	133.1	174.5	-176.1	0	0	0	0	109.1	A375 P677 Y754 C755 K756	A375-V771 HydrophobicContact CB-CB 4.4Å; A375-V771 HydrophobicContact CB-CG1 4.02Å; P677-V771 HydrophobicContact CB-CG1 4.3Å; Y754-V771 HydrophobicContact CD1-CG1 4.29Å; Y754-V771 HydrophobicContact CG-CG1 4.4Å; C755-V771 WeakPolarHBondContact O-CA 3.4Å; K756-V771 HydrophobicContact CD-CG2 4.18Å; K756-V771 HydrophobicContact CG-CG2 3.7Å
772	F	92.4	Very high	85.5	Confident	22 Å²	22	32 Å²	32	10%	0.096	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	158.4	174.6	-66.6	-74.3	0	0	0	111.4	P363 V364 Y754 C755 L757 V759 Q770	P363-F772 HydrophobicContact CG-CD1 4.01Å; P363-F772 HydrophobicContact CG-CD2 3.99Å; P363-F772 HydrophobicContact CG-CE1 3.83Å; P363-F772 HydrophobicContact CG-CE2 3.79Å; P363-F772 HydrophobicContact CG-CG 4.08Å; P363-F772 HydrophobicContact CG-CZ 3.71Å; V364-F772 HydrophobicContact CG2-CD1 3.41Å; V364-F772 VanDerWaalsContact CG2-CD1 3.41Å; V364-F772 HydrophobicContact CG2-CE1 3.79Å; Y754-F772 WeakPolarHBondContact CA-O 3.34Å; C755-F772 PolarHBondContact N-O 2.91Å; C755-F772 PolarHBondContact O-N 3.32Å; L757-F772 HydrophobicContact CB-CD2 3.91Å; L757-F772 HydrophobicContact CB-CE2 4.39Å; L757-F772 HydrophobicContact CD1-CB 4.21Å; L757-F772 HydrophobicContact CD1-CD2 4.06Å; L757-F772 HydrophobicContact CD1-CG 4.45Å; L757-F772 HydrophobicContact CG-CD2 4.21Å; V759-F772 HydrophobicContact CG2-CE2 3.64Å; V759-F772 HydrophobicContact CG2-CZ 4.06Å; Q770-F772 HydrophobicContact CB-CD2 4.34Å; Q770-F772 HydrophobicContact CB-CE2 3.58Å; Q770-F772 HydrophobicContact CB-CZ 3.85Å; Q770-F772 WeakPolarHBondContact O-CD2 3.5Å
773	P	94.5	Very high	86.2	Confident	16 Å²	16	31.1 Å²	31.1	10%	0.104	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	149	164.5	-18.2	32.3	0	0	0	111.3	M371 G753 Y754 L807	M371-P773 HydrophobicContact CB-CB 4.28Å; M371-P773 HydrophobicContact CB-CG 3.84Å; M371-P773 HydrophobicContact CE-CB 4.35Å; G753-P773 CarbonylContact O-C 3.59Å; G753-P773 WeakPolarHBondContact O-CA 3.34Å; Y754-P773 HydrophobicContact CE1-CG 4.5Å; P773-L807 HydrophobicContact CB-CD2 3.64Å
774	V	93.7	Very high	86.8	Confident	4 Å²	4	25.3 Å²	25.3	2%	0.024	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-76.1	166.8	175.8	-63	0	0	0	0	112.7	G753 C755 S778 A779 L807	G753-V774 PolarHBondContact O-N 2.83Å; C755-V774 HydrophobicContact CB-CG1 4.14Å; V774-S778 WeakPolarHBondContact CB-OG 3.16Å; V774-A779 HydrophobicContact CG2-CB 4.03Å; V774-L807 HydrophobicContact CG2-CD1 4.16Å; V774-L807 WeakPolarHBondContact O-CD2 3.33Å
775	S	91.7	Very high	87.4	Confident	4 Å²	4	23.7 Å²	23.7	3%	0.028	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-80	158.7	165.6	68.3	0	0	0	0	112.3	A777 S778 A779 L808 T811	S775-A777 PolarHBondContact O-N 3.13Å; S775-S778 WeakPolarHBondContact O-CB 3.07Å; S775-S778 PolarHBondContact O-N 2.92Å; S775-S778 VanDerWaalsContact O-N 3.13Å; S775-S778 WeakPolarHBondContact OG-CB 3.46Å; S775-S778 PolarHBondContact OG-N 2.74Å; S775-A779 PolarHBondContact O-N 2.86Å; S775-L808 CarbonylContact C-O 3.54Å; S775-L808 WeakPolarHBondContact CA-O 3.33Å; S775-L808 WeakPolarHBondContact CB-O 3.46Å; S775-T811 VanDerWaalsContact CB-N 3.33Å; S775-T811 PolarHBondContact OG-N 3.12Å
776	Q	91.3	Very high	88.1	Confident	46 Å²	46	22.3 Å²	22.3	22%	0.215	12%	0.118	C	C	.	.	H	α-helix	trans	-58.1	-39	172.3	-60.8	176.5	26.2	0	0	110.9	A779 N780 F803 L807 L808 A809	Q776-A779 PolarHBondContact O-N 2.79Å; Q776-N780 WeakPolarHBondContact O-CB 3.3Å; Q776-N780 PolarHBondContact O-N 2.89Å; Q776-N780 PolarHBondContact O-ND2 2.76Å; Q776-F803 HydrophobicContact CB-CE2 3.83Å; Q776-F803 HydrophobicContact CB-CZ 3.88Å; Q776-F803 VanDerWaalsContact CD-O 3.24Å; Q776-F803 HydrophobicContact CG-CD2 4.28Å; Q776-F803 HydrophobicContact CG-CE2 3.95Å; Q776-F803 HydrophobicContact CG-CZ 4.12Å; Q776-F803 VanDerWaalsContact CG-O 3.26Å; Q776-F803 WeakPolarHBondContact CG-O 3.36Å; Q776-F803 PolarHBondContact NE2-O 3.29Å; Q776-F803 VanDerWaalsContact NE2-O 3.12Å; Q776-L807 HydrophobicContact CG-CB 3.89Å; Q776-L807 PolarHBondContact NE2-O 3.48Å; Q776-L808 PolarHBondContact N-O 3.34Å; Q776-A809 PolarHBondContact N-O 2.67Å
777	A	87.9	Confident	88.4	Confident	10 Å²	10	22 Å²	22	8%	0.083	12%	0.117	C	C	.	.	H	α-helix	trans	-60.9	-43.8	173.1	0	0	0	0	0	113.3	T615 S775 N780 Q781 A809 N810	T615-A777 HydrophobicContact CG2-CB 4.03Å; S775-A777 PolarHBondContact O-N 3.13Å; A777-N780 PolarHBondContact O-N 3.1Å; A777-Q781 WeakPolarHBondContact O-CG 3.42Å; A777-Q781 PolarHBondContact O-N 2.72Å; A777-Q781 PolarHBondContact O-NE2 3.11Å; A777-A809 WeakPolarHBondContact CB-O 3.47Å; A777-A809 PolarHBondContact N-O 2.84Å; A777-N810 VanDerWaalsContact CB-OD1 3.31Å; A777-N810 WeakPolarHBondContact CB-OD1 3.42Å
778	S	89.3	Confident	88.4	Confident	3 Å²	3	22.2 Å²	22.2	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-61.4	-51.6	173.3	151.9	0	0	0	0	110.7	E738 V774 S775 N780 Q781 R782	E738-S778 VanDerWaalsContact CD-OG 3.29Å; E738-S778 WeakPolarHBondContact OE1-CB 3.39Å; E738-S778 PolarHBondContact OE1-OG 2.83Å; E738-S778 VanDerWaalsContact OE1-OG 3.06Å; E738-S778 PolarHBondContact OE2-OG 2.94Å; V774-S778 WeakPolarHBondContact CB-OG 3.16Å; S775-S778 WeakPolarHBondContact O-CB 3.07Å; S775-S778 PolarHBondContact O-N 2.92Å; S775-S778 VanDerWaalsContact O-N 3.13Å; S775-S778 WeakPolarHBondContact OG-CB 3.46Å; S775-S778 PolarHBondContact OG-N 2.74Å; S778-N780 PolarHBondContact O-N 3.2Å; S778-N780 VanDerWaalsContact O-N 3.11Å; S778-Q781 WeakPolarHBondContact O-CB 3.21Å; S778-Q781 PolarHBondContact O-N 2.73Å; S778-R782 WeakPolarHBondContact O-CG 3.39Å; S778-R782 PolarHBondContact O-N 3.21Å
779	A	91.4	Very high	88.1	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.7	-25	176.9	0	0	0	0	0	114	V774 S775 Q776 S783 R796 Y798 F803	V774-A779 HydrophobicContact CG2-CB 4.03Å; S775-A779 PolarHBondContact O-N 2.86Å; Q776-A779 PolarHBondContact O-N 2.79Å; A779-S783 PolarHBondContact O-N 2.72Å; A779-R796 VanDerWaalsContact C-NH2 3.27Å; A779-R796 PolarHBondContact O-NH2 3.24Å; A779-Y798 VanDerWaalsContact CB-OH 3.25Å; A779-Y798 WeakPolarHBondContact CB-OH 3.19Å; A779-F803 HydrophobicContact CB-CD2 4.43Å; A779-F803 HydrophobicContact CB-CE2 3.96Å
780	N	89.1	Confident	88.1	Confident	68 Å²	68	17.9 Å²	17.9	36%	0.364	9%	0.094	S	C	.	.	H	α-helix	trans	-82.9	-33	173.7	-70.3	-16.6	0	0	0	112.6	Q776 A777 S778 S783 G784 R796	Q776-N780 WeakPolarHBondContact O-CB 3.3Å; Q776-N780 PolarHBondContact O-N 2.89Å; Q776-N780 PolarHBondContact O-ND2 2.76Å; A777-N780 PolarHBondContact O-N 3.1Å; S778-N780 PolarHBondContact O-N 3.2Å; S778-N780 VanDerWaalsContact O-N 3.11Å; N780-S783 PolarHBondContact O-OG 3.46Å; N780-S783 VanDerWaalsContact O-OG 3.06Å; N780-G784 PolarHBondContact O-N 3.47Å; N780-R796 PolarHBondContact OD1-NH2 3.39Å
781	Q	87.7	Confident	88.2	Confident	9 Å²	9	18.1 Å²	18.1	4%	0.042	10%	0.103	C	C	.	.	H	α-helix	trans	-69.5	-37.4	171.1	-68.4	161.7	47.8	0	0	111.9	H584 T615 E738 A777 S778 G784 R785	H584-Q781 PolarHBondContact CD2-NE2 2.84Å; H584-Q781 PolarHBondContact NE2-OE1 3.1Å; T615-Q781 HydrophobicContact CG2-CG 4.36Å; E738-Q781 HydrophobicContact CG-CB 4.33Å; A777-Q781 WeakPolarHBondContact O-CG 3.42Å; A777-Q781 PolarHBondContact O-N 2.72Å; A777-Q781 PolarHBondContact O-NE2 3.11Å; S778-Q781 WeakPolarHBondContact O-CB 3.21Å; S778-Q781 PolarHBondContact O-N 2.73Å; Q781-G784 PolarHBondContact O-N 2.88Å; Q781-R785 PolarHBondContact O-N 2.94Å
782	R	91.1	Very high	88.2	Confident	2 Å²	2	17.1 Å²	17.1	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-58.6	-52.8	172.3	-68.9	-176.5	-179.4	-166.3	-3.5	111	F675 E738 D751 Y754 S778 G784 R785	F675-R782 HydrophobicContact CD1-CG 4.23Å; F675-R782 HydrophobicContact CD2-CB 4.04Å; F675-R782 HydrophobicContact CD2-CG 3.86Å; F675-R782 HydrophobicContact CE1-CG 4.01Å; F675-R782 HydrophobicContact CE2-CB 3.63Å; F675-R782 HydrophobicContact CE2-CG 3.62Å; F675-R782 HydrophobicContact CG-CG 4.16Å; F675-R782 HydrophobicContact CZ-CB 4.08Å; F675-R782 HydrophobicContact CZ-CG 3.7Å; E738-R782 HydrophobicContact CG-CG 3.87Å; E738-R782 IonicContact OE2-CZ 3.27Å; E738-R782 IonicContact OE2-NE 2.77Å; E738-R782 PolarHBondContact OE2-NE 2.7Å; E738-R782 IonicContact OE2-NH2 2.9Å; E738-R782 PolarHBondContact OE2-NH2 3.39Å; D751-R782 VanDerWaalsContact OD1-CD 3.24Å; D751-R782 WeakPolarHBondContact OD1-CD 3.39Å; D751-R782 IonicContact OD1-CZ 2.73Å; D751-R782 IonicContact OD1-NE 3.65Å; D751-R782 IonicContact OD1-NH1 2.72Å; D751-R782 PolarHBondContact OD1-NH1 3.06Å; Y754-R782 PolarHBondContact O-NH1 2.52Å; Y754-R782 PolarHBondContact O-NH2 2.95Å; S778-R782 WeakPolarHBondContact O-CG 3.39Å; S778-R782 PolarHBondContact O-N 3.21Å; R782-G784 VanDerWaalsContact C-N 3.27Å; R782-G784 PolarHBondContact O-N 3.29Å; R782-R785 WeakPolarHBondContact O-CB 3.3Å; R782-R785 WeakPolarHBondContact O-CG 3.39Å; R782-R785 PolarHBondContact O-N 3.3Å; R782-R785 VanDerWaalsContact O-N 3.11Å
783	S	89.9	Confident	88.2	Confident	1 Å²	1	18 Å²	18	1%	0.007	10%	0.102	C	C	.	.	H	α-helix	trans	-62.4	-35.1	176	72.1	0	0	0	0	112.3	A779 N780 R785 A786 C794	A779-S783 PolarHBondContact O-N 2.72Å; N780-S783 PolarHBondContact O-OG 3.46Å; N780-S783 VanDerWaalsContact O-OG 3.06Å; S783-R785 PolarHBondContact O-N 3.31Å; S783-R785 VanDerWaalsContact O-N 3.09Å; S783-A786 PolarHBondContact O-N 2.72Å; S783-C794 VanDerWaalsContact CB-SG 3.55Å
784	G	86.1	Confident	88.3	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-13.2	173.9	0	0	0	0	0	115.7	T486 N780 Q781 R782	T486-G784 WeakPolarHBondContact OG1-CA 3.44Å; T486-G784 PolarHBondContact OG1-O 2.74Å; T486-G784 VanDerWaalsContact OG1-O 3.1Å; N780-G784 PolarHBondContact O-N 3.47Å; Q781-G784 PolarHBondContact O-N 2.88Å; R782-G784 VanDerWaalsContact C-N 3.27Å; R782-G784 PolarHBondContact O-N 3.29Å
785	R	87.4	Confident	88.4	Confident	5 Å²	5	18.7 Å²	18.7	2%	0.019	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-31.1	174.2	-60.5	-66.5	136.3	161.2	-12	113	L673 F675 A737 E738 L741 V749 Q781 R782 S783	L673-R785 HydrophobicContact CD2-CB 4.1Å; L673-R785 HydrophobicContact CD2-CG 4.19Å; F675-R785 HydrophobicContact CZ-CG 4.39Å; A737-R785 VanDerWaalsContact O-CD 3.24Å; A737-R785 WeakPolarHBondContact O-CD 3.32Å; A737-R785 PolarHBondContact O-NE 2.85Å; A737-R785 PolarHBondContact O-NH1 3.22Å; E738-R785 VanDerWaalsContact C-CZ 3.47Å; E738-R785 PolarHBondContact O-NE 2.79Å; E738-R785 VanDerWaalsContact O-NE 3.17Å; E738-R785 PolarHBondContact O-NH2 2.96Å; L741-R785 PolarHBondContact O-NH1 3.09Å; V749-R785 HydrophobicContact CG2-CB 4.14Å; Q781-R785 PolarHBondContact O-N 2.94Å; R782-R785 WeakPolarHBondContact O-CB 3.3Å; R782-R785 WeakPolarHBondContact O-CG 3.39Å; R782-R785 PolarHBondContact O-N 3.3Å; R782-R785 VanDerWaalsContact O-N 3.11Å; S783-R785 PolarHBondContact O-N 3.31Å; S783-R785 VanDerWaalsContact O-N 3.09Å
786	A	88.1	Confident	88.6	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-71.9	-37.1	-179.1	0	0	0	0	0	113.4	V640 V749 S783 R788	V640-A786 HydrophobicContact CG1-CB 4.12Å; V640-A786 HydrophobicContact CG2-CB 4.16Å; V749-A786 HydrophobicContact CG2-CB 3.99Å; S783-A786 PolarHBondContact O-N 2.72Å; A786-R788 PolarHBondContact O-N 3.39Å
787	G	81.5	Confident	88.8	Confident	1 Å²	1	17.3 Å²	17.3	1%	0.01	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-82.6	30.6	-172.7	0	0	0	0	0	115.2	F638 V640	F638-G787 PolarHBondContact N-O 2.8Å; F638-G787 VanDerWaalsContact N-O 3.09Å; V640-G787 VanDerWaalsContact CG2-N 3.27Å
788	R	78.1	Confident	89.1	Confident	38 Å²	38	17 Å²	17	14%	0.143	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-101.9	-46.1	-170	-75.5	179.3	159.4	-161.6	-9.9	114.1	L741 A786	L741-R788 PolarHBondContact O-NH1 3.28Å; A786-R788 PolarHBondContact O-N 3.39Å
789	T	77.4	Confident	89.4	Confident	30 Å²	30	17.8 Å²	17.8	18%	0.184	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-15	-178	52.4	0	0	0	0	113.9	F638 D744 G745	F638-T789 WeakPolarHBondContact CE2-O 3.43Å; D744-T789 HydrophobicContact CB-CG2 4.39Å; G745-T789 PolarHBondContact N-OG1 3.17Å
790	G	83.5	Confident	89.5	Confident	8 Å²	8	22.3 Å²	22.3	8%	0.082	12%	0.119	C	C	.	.	S	Bend	trans	-168.3	179.4	174.4	0	0	0	0	0	110.5	F638	F638-G790 WeakPolarHBondContact CB-O 3.43Å; F638-G790 VanDerWaalsContact CD2-N 3.32Å
791	P	89	Confident	89.7	Confident	87 Å²	87	27.2 Å²	27.2	57%	0.565	13%	0.132	S	C	*	.			trans	-64.3	135.1	170.7	29.4	-34.2	0	0	0	109.9	P639	P639-P791 HydrophobicContact CG-CB 4.28Å
792	G	90.6	Very high	90	Very high	6 Å²	6	27.1 Å²	27.1	6%	0.062	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	176.1	-172	0	0	0	0	0	114.6	P639 V640 E641 L747	P639-G792 PolarHBondContact O-N 3.09Å; V640-G792 CarbonylContact C-O 3.44Å; V640-G792 VanDerWaalsContact CA-O 3.29Å; V640-G792 WeakPolarHBondContact CA-O 2.96Å; E641-G792 PolarHBondContact N-O 2.91Å; L747-G792 CarbonylContact O-C 3.47Å; L747-G792 WeakPolarHBondContact O-CA 3.4Å
793	Q	93.9	Very high	90.1	Very high	39 Å²	39	28 Å²	28	18%	0.182	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	142.7	-177	-59.7	-173	-32.9	0	0	111.4	E641 M643 L747 F748 V749 Y795	E641-Q793 HydrophobicContact CB-CG 4.26Å; E641-Q793 CarbonylContact O-C 3.6Å; E641-Q793 WeakPolarHBondContact O-CA 3.38Å; E641-Q793 PolarHBondContact OE2-NE2 3.47Å; M643-Q793 HydrophobicContact CE-CB 3.89Å; M643-Q793 HydrophobicContact CE-CG 4.14Å; L747-Q793 PolarHBondContact O-N 3.45Å; F748-Q793 WeakPolarHBondContact CA-O 3.46Å; F748-Q793 HydrophobicContact CD1-CB 4.12Å; F748-Q793 HydrophobicContact CE1-CB 4.37Å; F748-Q793 HydrophobicContact CE1-CG 4.44Å; V749-Q793 PolarHBondContact N-O 3.22Å; Q793-Y795 HydrophobicContact CB-CE2 4.29Å; Q793-Y795 PolarHBondContact OE1-OH 2.93Å; Q793-Y795 VanDerWaalsContact OE1-OH 3.12Å
794	C	95.2	Very high	90.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119.7	176.5	-176.4	0	0	0	0	110.8	V640 E641 M643 V749 S783	V640-C794 HydrophobicContact CG1-CB 4.04Å; E641-C794 PolarHBondContact O-N 3.45Å; M643-C794 PolarHBondContact N-O 3.49Å; V749-C794 HydrophobicContact CB-CB 4.34Å; V749-C794 CarbonylContact O-C 3.55Å; V749-C794 WeakPolarHBondContact O-CA 3.1Å; S783-C794 VanDerWaalsContact CB-SG 3.55Å
795	Y	96.3	Very high	90.5	Very high	36 Å²	36	37.8 Å²	37.8	14%	0.141	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	109.4	176.4	-60.1	-88.9	0	0	0	110	M643 Q659 I663 F748 V749 V750 D751 Q793	M643-Y795 HydrophobicContact CB-CD1 4.13Å; M643-Y795 HydrophobicContact CE-CD1 3.92Å; M643-Y795 HydrophobicContact CE-CE1 3.31Å; M643-Y795 HydrophobicContact CE-CE2 4.21Å; M643-Y795 HydrophobicContact SD-CD1 4.1Å; M643-Y795 HydrophobicContact SD-CE1 3.57Å; M643-Y795 VanDerWaalsContact SD-CE1 3.57Å; Q659-Y795 HydrophobicContact CG-CD1 4.32Å; Q659-Y795 HydrophobicContact CG-CD2 4.46Å; Q659-Y795 HydrophobicContact CG-CG 4.02Å; Q659-Y795 VanDerWaalsContact NE2-CD1 3.27Å; I663-Y795 HydrophobicContact CD1-CD2 3.52Å; I663-Y795 HydrophobicContact CD1-CE2 3.38Å; I663-Y795 HydrophobicContact CD1-CG 4.41Å; I663-Y795 HydrophobicContact CG1-CD2 4.22Å; I663-Y795 HydrophobicContact CG1-CE2 3.59Å; F748-Y795 HydrophobicContact CD1-CE2 4.23Å; V749-Y795 PolarHBondContact O-N 3.12Å; V750-Y795 WeakPolarHBondContact CA-O 3.39Å; D751-Y795 PolarHBondContact N-O 3.09Å; Q793-Y795 HydrophobicContact CB-CE2 4.29Å; Q793-Y795 PolarHBondContact OE1-OH 2.93Å; Q793-Y795 VanDerWaalsContact OE1-OH 3.12Å
796	R	96.2	Very high	90.7	Very high	4 Å²	4	39 Å²	39	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	118	175.2	-69.3	176.1	166.4	-179.9	-3.3	109.4	I642 M643 H644 S645 D751 A779 N780 Y798 F803	I642-R796 HydrophobicContact CG2-CG 4.41Å; M643-R796 PolarHBondContact O-N 3.29Å; H644-R796 CarbonylContact C-O 3.58Å; H644-R796 PolarHBondContact NE2-NH1 2.85Å; S645-R796 PolarHBondContact N-O 3.26Å; D751-R796 WeakPolarHBondContact O-CA 3.45Å; A779-R796 VanDerWaalsContact C-NH2 3.27Å; A779-R796 PolarHBondContact O-NH2 3.24Å; N780-R796 PolarHBondContact OD1-NH2 3.39Å; R796-Y798 HydrophobicContact CB-CD1 4.3Å; R796-Y798 HydrophobicContact CB-CD2 4.28Å; R796-Y798 HydrophobicContact CB-CE1 3.88Å; R796-Y798 HydrophobicContact CB-CE2 3.86Å; R796-Y798 HydrophobicContact CB-CG 4.49Å; R796-Y798 WeakPolarHBondContact CD-OH 3.31Å; R796-Y798 HydrophobicContact CG-CE1 4.16Å; R796-Y798 HydrophobicContact CG-CE2 4.06Å; R796-Y798 WeakPolarHBondContact CG-OH 3.46Å; R796-Y798 PolarHBondContact NE-OH 3.22Å; R796-Y798 PolarHBondContact O-N 3.32Å; R796-F803 VanDerWaalsContact NH1-CD2 3.34Å; R796-F803 VanDerWaalsContact NH1-CZ 3.33Å
797	L	95.2	Very high	90.8	Very high	17 Å²	17	39.1 Å²	39.1	9%	0.089	19%	0.186	C	C	.	.	S	Bend	trans	-82.1	25	-176.7	-48.5	177.2	0	0	0	113	V649 A655 A656 Q659 V750 D751 P752	V649-L797 WeakPolarHBondContact CB-O 3.46Å; V649-L797 WeakPolarHBondContact CG2-O 3.44Å; A655-L797 HydrophobicContact CB-CD1 4.08Å; A656-L797 HydrophobicContact CB-CD1 3.73Å; Q659-L797 HydrophobicContact CB-CD2 4.29Å; Q659-L797 HydrophobicContact CG-CD2 4.39Å; V750-L797 HydrophobicContact CG1-CD1 3.88Å; V750-L797 HydrophobicContact CG1-CD2 4.24Å; V750-L797 HydrophobicContact CG1-CG 4.14Å; D751-L797 PolarHBondContact O-N 3.22Å; P752-L797 HydrophobicContact CB-CD1 4.24Å
798	Y	94.9	Very high	91.3	Very high	3 Å²	3	41.4 Å²	41.4	1%	0.012	20%	0.198	C	C	.	.	S	Bend	trans	-134.9	156.7	177	47.6	-91.1	0	0	0	108.7	M371 S645 D751 A779 R796 F803 L807	M371-Y798 HydrophobicContact CE-CD1 4.25Å; M371-Y798 HydrophobicContact CE-CG 4.29Å; M371-Y798 HydrophobicContact SD-CG 4.38Å; S645-Y798 PolarHBondContact N-O 3.12Å; S645-Y798 VanDerWaalsContact N-O 3.17Å; D751-Y798 WeakPolarHBondContact O-CE1 3.41Å; D751-Y798 WeakPolarHBondContact OD2-CE1 3.22Å; D751-Y798 PolarHBondContact OD2-OH 3.46Å; A779-Y798 VanDerWaalsContact CB-OH 3.25Å; A779-Y798 WeakPolarHBondContact CB-OH 3.19Å; R796-Y798 HydrophobicContact CB-CD1 4.3Å; R796-Y798 HydrophobicContact CB-CD2 4.28Å; R796-Y798 HydrophobicContact CB-CE1 3.88Å; R796-Y798 HydrophobicContact CB-CE2 3.86Å; R796-Y798 HydrophobicContact CB-CG 4.49Å; R796-Y798 WeakPolarHBondContact CD-OH 3.31Å; R796-Y798 HydrophobicContact CG-CE1 4.16Å; R796-Y798 HydrophobicContact CG-CE2 4.06Å; R796-Y798 WeakPolarHBondContact CG-OH 3.46Å; R796-Y798 PolarHBondContact NE-OH 3.22Å; R796-Y798 PolarHBondContact O-N 3.32Å; Y798-F803 HydrophobicContact CD2-CB 4.21Å; Y798-F803 HydrophobicContact CE2-CB 4.01Å; Y798-F803 AromaticContact CE2-CD2 3.93Å; Y798-F803 HydrophobicContact CE2-CD2 3.93Å; Y798-F803 HydrophobicContact CE2-CG 4.4Å; Y798-L807 HydrophobicContact CE2-CD1 4.16Å
799	T	95.1	Very high	91.8	Very high	20 Å²	20	42.4 Å²	42.4	12%	0.123	21%	0.214	C	C	.	.			trans	-72.6	157.9	-176	64.4	0	0	0	0	112.3	S645 R801 Q802 F803	S645-T799 WeakPolarHBondContact O-CA 3.3Å; T799-R801 PolarHBondContact O-N 3.29Å; T799-Q802 WeakPolarHBondContact O-CB 3.42Å; T799-Q802 PolarHBondContact O-N 3Å; T799-Q802 VanDerWaalsContact O-N 3.15Å; T799-Q802 WeakPolarHBondContact OG1-CB 3.4Å; T799-Q802 VanDerWaalsContact OG1-CG 3.25Å; T799-Q802 WeakPolarHBondContact OG1-CG 3.3Å; T799-Q802 PolarHBondContact OG1-N 2.94Å; T799-Q802 PolarHBondContact OG1-OE1 2.75Å; T799-Q802 VanDerWaalsContact OG1-OE1 3.09Å; T799-F803 PolarHBondContact O-N 2.84Å
800	E	93.8	Very high	92.3	Very high	95 Å²	95	43.5 Å²	43.5	44%	0.444	22%	0.218	S	C	.	.	H	α-helix	trans	-61.7	-29.1	172.2	-163.8	-168.4	168.5	0	0	111.6	H644 F803 K804	H644-E800 HydrophobicContact CB-CB 4.36Å; E800-F803 PolarHBondContact O-N 3.42Å; E800-K804 WeakPolarHBondContact O-CG 3.26Å; E800-K804 PolarHBondContact O-N 2.8Å; E800-K804 WeakPolarHBondContact OE1-CE 3.31Å; E800-K804 IonicContact OE1-NZ 3.13Å; E800-K804 PolarHBondContact OE1-NZ 3.48Å
801	R	93.8	Very high	92.5	Very high	171 Å²	171	45.4 Å²	45.4	65%	0.645	23%	0.229	S	C	*	.	H	α-helix	trans	-63.2	-51	171.5	-170.7	179.1	176.8	-144.7	-16.8	111	T799 F803 K804 E805	T799-R801 PolarHBondContact O-N 3.29Å; R801-F803 VanDerWaalsContact C-N 3.29Å; R801-F803 PolarHBondContact O-N 2.92Å; R801-K804 PolarHBondContact O-N 3.09Å; R801-K804 VanDerWaalsContact O-N 3.09Å; R801-E805 HydrophobicContact CG-CG 4.31Å; R801-E805 VanDerWaalsContact CG-OE1 3.28Å; R801-E805 WeakPolarHBondContact CG-OE1 3.4Å; R801-E805 IonicContact CZ-OE2 3.16Å; R801-E805 VanDerWaalsContact NE-CD 3.26Å; R801-E805 IonicContact NE-OE1 2.75Å; R801-E805 PolarHBondContact NE-OE1 3.45Å; R801-E805 IonicContact NE-OE2 3.51Å; R801-E805 PolarHBondContact NE-OE2 3.4Å; R801-E805 IonicContact NH2-OE2 2.71Å; R801-E805 PolarHBondContact NH2-OE2 2.87Å; R801-E805 WeakPolarHBondContact O-CB 3.29Å; R801-E805 PolarHBondContact O-N 3.34Å
802	Q	93.4	Very high	92.6	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.028	21%	0.209	C	C	.	.	H	α-helix	trans	-57.4	-41.7	176.4	-76.1	171	-55	0	0	112.2	M371 T799 K804 E806 L807	M371-Q802 HydrophobicContact CG-CG 4.45Å; M371-Q802 HydrophobicContact SD-CB 3.98Å; M371-Q802 HydrophobicContact SD-CG 4.43Å; T799-Q802 WeakPolarHBondContact O-CB 3.42Å; T799-Q802 PolarHBondContact O-N 3Å; T799-Q802 VanDerWaalsContact O-N 3.15Å; T799-Q802 WeakPolarHBondContact OG1-CB 3.4Å; T799-Q802 VanDerWaalsContact OG1-CG 3.25Å; T799-Q802 WeakPolarHBondContact OG1-CG 3.3Å; T799-Q802 PolarHBondContact OG1-N 2.94Å; T799-Q802 PolarHBondContact OG1-OE1 2.75Å; T799-Q802 VanDerWaalsContact OG1-OE1 3.09Å; Q802-K804 VanDerWaalsContact C-N 3.3Å; Q802-K804 PolarHBondContact O-N 2.71Å; Q802-E806 HydrophobicContact CG-CG 4.24Å; Q802-E806 WeakPolarHBondContact CG-OE1 3.3Å; Q802-E806 PolarHBondContact O-N 3.2Å; Q802-L807 PolarHBondContact O-N 2.71Å
803	F	93.1	Very high	92.5	Very high	22 Å²	22	42.6 Å²	42.6	10%	0.096	21%	0.209	C	C	.	.	H	α-helix	trans	-58	-37.8	175.5	-179.9	-105.8	0	0	0	113.4	Q776 A779 R796 Y798 T799 E800 R801 L807	Q776-F803 HydrophobicContact CB-CE2 3.83Å; Q776-F803 HydrophobicContact CB-CZ 3.88Å; Q776-F803 VanDerWaalsContact CD-O 3.24Å; Q776-F803 HydrophobicContact CG-CD2 4.28Å; Q776-F803 HydrophobicContact CG-CE2 3.95Å; Q776-F803 HydrophobicContact CG-CZ 4.12Å; Q776-F803 VanDerWaalsContact CG-O 3.26Å; Q776-F803 WeakPolarHBondContact CG-O 3.36Å; Q776-F803 PolarHBondContact NE2-O 3.29Å; Q776-F803 VanDerWaalsContact NE2-O 3.12Å; A779-F803 HydrophobicContact CB-CD2 4.43Å; A779-F803 HydrophobicContact CB-CE2 3.96Å; R796-F803 VanDerWaalsContact NH1-CD2 3.34Å; R796-F803 VanDerWaalsContact NH1-CZ 3.33Å; Y798-F803 HydrophobicContact CD2-CB 4.21Å; Y798-F803 HydrophobicContact CE2-CB 4.01Å; Y798-F803 AromaticContact CE2-CD2 3.93Å; Y798-F803 HydrophobicContact CE2-CD2 3.93Å; Y798-F803 HydrophobicContact CE2-CG 4.4Å; T799-F803 PolarHBondContact O-N 2.84Å; E800-F803 PolarHBondContact O-N 3.42Å; R801-F803 VanDerWaalsContact C-N 3.29Å; R801-F803 PolarHBondContact O-N 2.92Å; F803-L807 HydrophobicContact CD2-CD1 3.92Å
804	K	92.5	Very high	92.3	Very high	113 Å²	113	43.7 Å²	43.7	49%	0.491	21%	0.214	S	C	.	.	H	α-helix	trans	-90.6	-36.2	-177.6	-66	174.4	-174.1	170.5	0	114	R365 E800 R801 Q802	R365-K804 PolarHBondContact NH1-O 2.91Å; E800-K804 WeakPolarHBondContact O-CG 3.26Å; E800-K804 PolarHBondContact O-N 2.8Å; E800-K804 WeakPolarHBondContact OE1-CE 3.31Å; E800-K804 IonicContact OE1-NZ 3.13Å; E800-K804 PolarHBondContact OE1-NZ 3.48Å; R801-K804 PolarHBondContact O-N 3.09Å; R801-K804 VanDerWaalsContact O-N 3.09Å; Q802-K804 VanDerWaalsContact C-N 3.3Å; Q802-K804 PolarHBondContact O-N 2.71Å
805	E	90.8	Very high	92	Very high	92 Å²	92	43.8 Å²	43.8	43%	0.43	21%	0.214	S	C	.	.	H	α-helix	trans	-97.1	-47.5	-172.8	-70.5	177.8	-144.9	0	0	112.6	R365 R801	R365-E805 WeakPolarHBondContact CD-O 3.39Å; R365-E805 PolarHBondContact NE-O 2.92Å; R365-E805 PolarHBondContact NH1-O 3.27Å; R801-E805 HydrophobicContact CG-CG 4.31Å; R801-E805 VanDerWaalsContact CG-OE1 3.28Å; R801-E805 WeakPolarHBondContact CG-OE1 3.4Å; R801-E805 IonicContact CZ-OE2 3.16Å; R801-E805 VanDerWaalsContact NE-CD 3.26Å; R801-E805 IonicContact NE-OE1 2.75Å; R801-E805 PolarHBondContact NE-OE1 3.45Å; R801-E805 IonicContact NE-OE2 3.51Å; R801-E805 PolarHBondContact NE-OE2 3.4Å; R801-E805 IonicContact NH2-OE2 2.71Å; R801-E805 PolarHBondContact NH2-OE2 2.87Å; R801-E805 WeakPolarHBondContact O-CB 3.29Å; R801-E805 PolarHBondContact O-N 3.34Å
806	E	91.4	Very high	91.6	Very high	31 Å²	31	43 Å²	43	15%	0.145	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-38.3	-173.1	-58.1	-170.1	-161	0	0	112.9	C369 D370 M371 Q802	C369-E806 HydrophobicContact CB-CB 4.22Å; C369-E806 HydrophobicContact CB-CG 3.85Å; C369-E806 WeakPolarHBondContact CB-OE2 3.49Å; D370-E806 PolarHBondContact N-OE2 2.68Å; M371-E806 VanDerWaalsContact CB-OE2 3.32Å; M371-E806 WeakPolarHBondContact CB-OE2 3.48Å; M371-E806 WeakPolarHBondContact CG-OE2 3.37Å; M371-E806 PolarHBondContact N-OE2 3.07Å; Q802-E806 HydrophobicContact CG-CG 4.24Å; Q802-E806 WeakPolarHBondContact CG-OE1 3.3Å; Q802-E806 PolarHBondContact O-N 3.2Å
807	L	91.7	Very high	91.3	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	22%	0.215	C	C	.	.	S	Bend	trans	-77.1	134.2	-177	-54.2	-167.4	0	0	0	112.5	M371 P773 V774 Q776 Y798 Q802 F803	M371-L807 HydrophobicContact CE-CD2 4.05Å; M371-L807 HydrophobicContact SD-CD2 3.69Å; P773-L807 HydrophobicContact CB-CD2 3.64Å; V774-L807 HydrophobicContact CG2-CD1 4.16Å; V774-L807 WeakPolarHBondContact O-CD2 3.33Å; Q776-L807 HydrophobicContact CG-CB 3.89Å; Q776-L807 PolarHBondContact NE2-O 3.48Å; Y798-L807 HydrophobicContact CE2-CD1 4.16Å; Q802-L807 PolarHBondContact O-N 2.71Å; F803-L807 HydrophobicContact CD2-CD1 3.92Å
808	L	91.3	Very high	90.9	Very high	50 Å²	50	43.2 Å²	43.2	26%	0.262	21%	0.212	S	C	.	.			trans	-62.2	144.5	168.9	-68	172.7	0	0	0	110.5	R365 S775 Q776 N810 V812	R365-L808 HydrophobicContact CB-CD2 3.82Å; R365-L808 HydrophobicContact CB-CG 4.39Å; R365-L808 HydrophobicContact CG-CD2 4.32Å; S775-L808 CarbonylContact C-O 3.54Å; S775-L808 WeakPolarHBondContact CA-O 3.33Å; S775-L808 WeakPolarHBondContact CB-O 3.46Å; Q776-L808 PolarHBondContact N-O 3.34Å; L808-N810 PolarHBondContact O-N 3.46Å; L808-V812 HydrophobicContact CD1-CG2 4.05Å
809	A	89.3	Confident	90.4	Very high	58 Å²	58	44.9 Å²	44.9	48%	0.479	22%	0.221	S	C	.	.	S	Bend	trans	-59.8	-51.1	-179.8	0	0	0	0	0	112.1	Q776 A777	Q776-A809 PolarHBondContact N-O 2.67Å; A777-A809 WeakPolarHBondContact CB-O 3.47Å; A777-A809 PolarHBondContact N-O 2.84Å
810	N	87.6	Confident	90.1	Very high	53 Å²	53	44.1 Å²	44.1	28%	0.283	22%	0.217	S	C	.	.	S	Bend	trans	-121.3	160.8	177.7	-63.5	-34.8	0	0	0	110.6	D617 A777 L808	D617-N810 WeakPolarHBondContact CB-ND2 3.48Å; D617-N810 PolarHBondContact OD2-ND2 3.2Å; A777-N810 VanDerWaalsContact CB-OD1 3.31Å; A777-N810 WeakPolarHBondContact CB-OD1 3.42Å; L808-N810 PolarHBondContact O-N 3.46Å
811	T	87.8	Confident	89.8	Confident	49 Å²	49	39.8 Å²	39.8	30%	0.301	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-65.7	143.2	172.2	22.7	0	0	0	0	110.1	S775	S775-T811 VanDerWaalsContact CB-N 3.33Å; S775-T811 PolarHBondContact OG-N 3.12Å
812	V	90	Very high	89.5	Confident	24 Å²	24	35.7 Å²	35.7	15%	0.145	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-69.1	128.4	170.8	-178.3	0	0	0	0	108.4	V361 P363 L808 Q816 R817	V361-V812 HydrophobicContact CB-CG1 4.32Å; V361-V812 HydrophobicContact CG1-CG1 3.72Å; V361-V812 HydrophobicContact CG1-CG2 4.13Å; P363-V812 HydrophobicContact CB-CG2 4.33Å; L808-V812 HydrophobicContact CD1-CG2 4.05Å; V812-Q816 HydrophobicContact CG1-CB 4.15Å; V812-R817 HydrophobicContact CB-CG 4.48Å; V812-R817 HydrophobicContact CG1-CG 3.87Å; V812-R817 VanDerWaalsContact O-CD 3.31Å; V812-R817 WeakPolarHBondContact O-CD 3.41Å; V812-R817 PolarHBondContact O-NE 3.45Å
813	P	89.7	Confident	89.2	Confident	9 Å²	9	35.9 Å²	35.9	6%	0.058	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-58.5	143.2	-179.7	-27.5	37.1	0	0	0	112.9	R586 I815 Q816 R817 D842	R586-P813 HydrophobicContact CB-CB 4.01Å; R586-P813 HydrophobicContact CB-CG 4.35Å; R586-P813 VanDerWaalsContact NH2-CG 3.35Å; P813-I815 VanDerWaalsContact C-N 3.25Å; P813-I815 HydrophobicContact CB-CG2 4.13Å; P813-I815 PolarHBondContact O-N 2.9Å; P813-Q816 PolarHBondContact O-N 3.46Å; P813-Q816 VanDerWaalsContact O-N 3.1Å; P813-R817 WeakPolarHBondContact O-CG 3.41Å; P813-D842 HydrophobicContact CG-CB 4.08Å
814	E	88.6	Confident	89	Confident	63 Å²	63	35 Å²	35	29%	0.294	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-58	-36.8	-174.5	-171.7	172.2	-147.1	0	0	113	R586 S587 L588 Q816 R817 T818	R586-E814 WeakPolarHBondContact O-CB 3.43Å; R586-E814 PolarHBondContact O-N 2.96Å; S587-E814 WeakPolarHBondContact CA-OE2 3.41Å; L588-E814 HydrophobicContact CB-CB 4.38Å; L588-E814 HydrophobicContact CB-CG 4.11Å; L588-E814 WeakPolarHBondContact CB-OE2 3.23Å; L588-E814 PolarHBondContact N-OE2 3.12Å; E814-Q816 PolarHBondContact O-N 3.47Å; E814-R817 PolarHBondContact O-N 2.88Å; E814-T818 HydrophobicContact CG-CG2 3.54Å; E814-T818 PolarHBondContact O-N 3.43Å; E814-T818 PolarHBondContact O-OG1 3.22Å
815	I	89	Confident	88.9	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.005	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-56.4	-24.1	178.4	-162.9	168.9	0	0	0	114.3	L588 D591 P813 L820 F840 P844	L588-I815 HydrophobicContact CD1-CB 3.9Å; L588-I815 HydrophobicContact CD1-CG1 3.87Å; D591-I815 HydrophobicContact CB-CD1 4.35Å; D591-I815 HydrophobicContact CB-CG2 4.39Å; D591-I815 WeakPolarHBondContact OD2-CG2 3.36Å; P813-I815 VanDerWaalsContact C-N 3.25Å; P813-I815 HydrophobicContact CB-CG2 4.13Å; P813-I815 PolarHBondContact O-N 2.9Å; I815-L820 HydrophobicContact CG1-CD2 3.91Å; I815-F840 HydrophobicContact CD1-CD1 3.59Å; I815-F840 HydrophobicContact CD1-CE1 3.68Å; I815-P844 HydrophobicContact CD1-CG 4.32Å; I815-P844 HydrophobicContact CG1-CB 4.25Å; I815-P844 HydrophobicContact CG1-CG 4.17Å
816	Q	89.3	Confident	88.7	Confident	20 Å²	20	26.3 Å²	26.3	9%	0.093	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-86.4	-8.2	177.3	-62	-169.8	-41	0	0	113.7	V812 P813 E814 P843 P845 N848	V812-Q816 HydrophobicContact CG1-CB 4.15Å; P813-Q816 PolarHBondContact O-N 3.46Å; P813-Q816 VanDerWaalsContact O-N 3.1Å; E814-Q816 PolarHBondContact O-N 3.47Å; Q816-P843 PolarHBondContact NE2-O 2.7Å; Q816-P845 HydrophobicContact CB-CG 4.49Å; Q816-N848 PolarHBondContact O-ND2 3.05Å
817	R	88.8	Confident	88.5	Confident	20 Å²	20	24.9 Å²	24.9	8%	0.075	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.1	-4	-162.8	-13.9	-179.4	-63.7	79.8	20.8	114.6	K758 V759 F760 V812 P813 E814	K758-R817 PolarHBondContact O-NH1 2.67Å; K758-R817 PolarHBondContact O-NH2 3.15Å; V759-R817 CarbonylContact C-O 3.43Å; V759-R817 WeakPolarHBondContact CA-O 3.31Å; F760-R817 WeakPolarHBondContact CB-O 3.24Å; F760-R817 PolarHBondContact N-O 3.02Å; V812-R817 HydrophobicContact CB-CG 4.48Å; V812-R817 HydrophobicContact CG1-CG 3.87Å; V812-R817 VanDerWaalsContact O-CD 3.31Å; V812-R817 WeakPolarHBondContact O-CD 3.41Å; V812-R817 PolarHBondContact O-NE 3.45Å; P813-R817 WeakPolarHBondContact O-CG 3.41Å; E814-R817 PolarHBondContact O-N 2.88Å
818	T	86.2	Confident	88.3	Confident	6 Å²	6	26.2 Å²	26.2	4%	0.037	15%	0.147	C	C	.	.	S	Bend	trans	-116.8	167.5	178.9	60.6	0	0	0	0	112.1	E814 N848	E814-T818 HydrophobicContact CG-CG2 3.54Å; E814-T818 PolarHBondContact O-N 3.43Å; E814-T818 PolarHBondContact O-OG1 3.22Å; T818-N848 PolarHBondContact O-ND2 3.31Å
819	N	85.5	Confident	88	Confident	37 Å²	37	26 Å²	26	20%	0.198	15%	0.149	C	C	.	.			trans	-59.4	144.8	162	-167.5	-5.7	0	0	0	109.6	F760 A821 S852 Q855	F760-N819 HydrophobicContact CD1-CB 4.23Å; F760-N819 HydrophobicContact CD2-CB 3.94Å; F760-N819 HydrophobicContact CE1-CB 4.08Å; F760-N819 HydrophobicContact CE2-CB 3.79Å; F760-N819 HydrophobicContact CG-CB 4.15Å; F760-N819 HydrophobicContact CZ-CB 3.86Å; N819-A821 PolarHBondContact OD1-N 2.94Å; N819-A821 VanDerWaalsContact OD1-N 3.14Å; N819-S852 PolarHBondContact OD1-OG 3.1Å; N819-Q855 PolarHBondContact ND2-OE1 3.26Å
820	L	87.9	Confident	87.6	Confident	5 Å²	5	25.3 Å²	25.3	3%	0.026	14%	0.137	C	C	.	.			trans	-117.6	4.5	-176.6	-55.6	173.3	0	0	0	112.9	L588 I815 N822 V823 V824 P844 N848 I849 S852	L588-L820 HydrophobicContact CD1-CD2 3.65Å; I815-L820 HydrophobicContact CG1-CD2 3.91Å; L820-N822 VanDerWaalsContact C-N 3.33Å; L820-N822 PolarHBondContact O-N 3.23Å; L820-V823 CarbonylContact O-C 3.45Å; L820-V823 PolarHBondContact O-N 3.26Å; L820-V824 HydrophobicContact CB-CG2 4.23Å; L820-V824 WeakPolarHBondContact O-CG2 3.47Å; L820-V824 PolarHBondContact O-N 3.47Å; L820-P844 HydrophobicContact CD1-CB 3.41Å; L820-P844 VanDerWaalsContact CD1-CB 3.41Å; L820-P844 HydrophobicContact CD1-CG 3.9Å; L820-N848 HydrophobicContact CD1-CB 4.03Å; L820-I849 HydrophobicContact CD1-CG1 4.42Å; L820-S852 WeakPolarHBondContact CA-OG 3.22Å; L820-S852 WeakPolarHBondContact CB-OG 3.5Å; L820-S852 PolarHBondContact N-OG 2.9Å
821	A	88.4	Confident	87.2	Confident	4 Å²	4	25.5 Å²	25.5	3%	0.033	15%	0.152	C	C	.	.	H	α-helix	trans	-47.5	-50.4	-178.2	0	0	0	0	0	113.2	N819 V823 V824 L825 S852 L856	N819-A821 PolarHBondContact OD1-N 2.94Å; N819-A821 VanDerWaalsContact OD1-N 3.14Å; A821-V823 PolarHBondContact O-N 2.55Å; A821-V824 PolarHBondContact O-N 3.45Å; A821-L825 WeakPolarHBondContact O-CB 3.33Å; A821-L825 PolarHBondContact O-N 2.84Å; A821-S852 PolarHBondContact N-OG 3.43Å; A821-L856 HydrophobicContact CB-CD2 4.35Å; A821-L856 WeakPolarHBondContact O-CD1 3.3Å
822	N	87.6	Confident	86.8	Confident	85 Å²	85	24 Å²	24	46%	0.455	14%	0.142	S	C	.	.	H	α-helix	trans	-64.1	-39.7	177.3	-168.1	18.6	0	0	0	113.1	L820 L825 L826	L820-N822 VanDerWaalsContact C-N 3.33Å; L820-N822 PolarHBondContact O-N 3.23Å; N822-L825 PolarHBondContact O-N 3.21Å; N822-L826 VanDerWaalsContact O-CB 3.29Å; N822-L826 WeakPolarHBondContact O-CB 3.42Å; N822-L826 PolarHBondContact O-N 3.45Å
823	V	87.6	Confident	86	Confident	9 Å²	9	27.4 Å²	27.4	6%	0.055	16%	0.157	C	C	.	.	H	α-helix	trans	-70.2	-39.8	179.1	168.7	0	0	0	0	112.2	L588 V592 L820 A821 L825 L826 L827	L588-V823 HydrophobicContact CD1-CG2 3.89Å; L588-V823 HydrophobicContact CD2-CG2 3.82Å; L588-V823 HydrophobicContact CG-CG2 3.72Å; V592-V823 HydrophobicContact CG2-CG1 3.51Å; V592-V823 HydrophobicContact CG2-CG2 4.19Å; L820-V823 CarbonylContact O-C 3.45Å; L820-V823 PolarHBondContact O-N 3.26Å; A821-V823 PolarHBondContact O-N 2.55Å; V823-L825 VanDerWaalsContact C-N 3.3Å; V823-L825 PolarHBondContact O-N 2.91Å; V823-L826 PolarHBondContact O-N 2.88Å; V823-L827 HydrophobicContact CG1-CD1 3.89Å; V823-L827 HydrophobicContact CG1-CG 4.33Å; V823-L827 WeakPolarHBondContact O-CB 3.03Å; V823-L827 VanDerWaalsContact O-CG 3.28Å; V823-L827 WeakPolarHBondContact O-CG 3.35Å; V823-L827 PolarHBondContact O-N 2.95Å
824	V	89	Confident	85.2	Confident	4 Å²	4	29.1 Å²	29.1	2%	0.024	17%	0.165	C	C	.	.	H	α-helix	trans	-63.4	-40.7	174.7	172.9	0	0	0	0	110.3	L820 A821 K828 L835 M853 L856	L820-V824 HydrophobicContact CB-CG2 4.23Å; L820-V824 WeakPolarHBondContact O-CG2 3.47Å; L820-V824 PolarHBondContact O-N 3.47Å; A821-V824 PolarHBondContact O-N 3.45Å; V824-K828 WeakPolarHBondContact O-CB 3.41Å; V824-K828 WeakPolarHBondContact O-CG 3.44Å; V824-K828 PolarHBondContact O-N 2.95Å; V824-K828 VanDerWaalsContact O-N 3.12Å; V824-L835 HydrophobicContact CG1-CD1 4.34Å; V824-L835 HydrophobicContact CG2-CD1 4.14Å; V824-M853 HydrophobicContact CG1-CE 3.73Å; V824-M853 HydrophobicContact CG1-CG 4.28Å; V824-M853 HydrophobicContact CG1-SD 3.8Å; V824-L856 HydrophobicContact CB-CD1 3.94Å; V824-L856 HydrophobicContact CG1-CD1 3.71Å
825	L	89.6	Confident	84.6	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-62.7	-47.8	176.6	-171.1	64.6	0	0	0	111.4	A821 N822 V823 K828 S829 L856 A861 L868 M875 I876 P882	A821-L825 WeakPolarHBondContact O-CB 3.33Å; A821-L825 PolarHBondContact O-N 2.84Å; N822-L825 PolarHBondContact O-N 3.21Å; V823-L825 VanDerWaalsContact C-N 3.3Å; V823-L825 PolarHBondContact O-N 2.91Å; L825-K828 WeakPolarHBondContact O-CB 3.37Å; L825-K828 PolarHBondContact O-N 2.75Å; L825-S829 PolarHBondContact O-N 2.96Å; L825-S829 VanDerWaalsContact O-N 3.11Å; L825-L856 HydrophobicContact CB-CD1 3.86Å; L825-L856 HydrophobicContact CB-CD2 4.04Å; L825-L856 HydrophobicContact CD1-CD1 4.29Å; L825-L856 HydrophobicContact CD1-CD2 4.14Å; L825-L856 HydrophobicContact CD2-CD2 4.26Å; L825-L856 HydrophobicContact CG-CD2 4.36Å; L825-A861 HydrophobicContact CD1-CB 3.92Å; L825-L868 HydrophobicContact CD1-CD1 3.47Å; L825-L868 VanDerWaalsContact CD1-CD1 3.47Å; L825-M875 HydrophobicContact CD2-CB 4.26Å; L825-I876 HydrophobicContact CD1-CD1 4.12Å; L825-I876 HydrophobicContact CD1-CG1 4.29Å; L825-I876 HydrophobicContact CD2-CD1 4.4Å; L825-I876 HydrophobicContact CD2-CG1 3.71Å; L825-I876 HydrophobicContact CG-CD1 3.71Å; L825-I876 HydrophobicContact CG-CG1 3.56Å; L825-P882 HydrophobicContact CD2-CB 4.32Å; L825-P882 HydrophobicContact CD2-CG 3.84Å
826	L	86.2	Confident	83.8	Confident	21 Å²	21	30.3 Å²	30.3	11%	0.11	17%	0.173	C	C	.	.	H	α-helix	trans	-60.5	-44.6	176.8	-174.4	78.4	0	0	0	113.6	L563 L567 V592 N822 V823 K828 S829 L830	L563-L826 HydrophobicContact CD1-CD2 3.91Å; L563-L826 HydrophobicContact CD2-CD2 3.75Å; L563-L826 HydrophobicContact CG-CD2 3.8Å; L567-L826 HydrophobicContact CD1-CD1 3.69Å; L567-L826 HydrophobicContact CD2-CD1 3.71Å; L567-L826 HydrophobicContact CG-CD1 4Å; V592-L826 HydrophobicContact CG1-CD2 4.35Å; N822-L826 VanDerWaalsContact O-CB 3.29Å; N822-L826 WeakPolarHBondContact O-CB 3.42Å; N822-L826 PolarHBondContact O-N 3.45Å; V823-L826 PolarHBondContact O-N 2.88Å; L826-K828 VanDerWaalsContact C-N 3.27Å; L826-K828 PolarHBondContact O-N 3.37Å; L826-S829 PolarHBondContact O-N 3.11Å; L826-S829 PolarHBondContact O-OG 3.01Å; L826-L830 HydrophobicContact CG-CD1 4.32Å; L826-L830 WeakPolarHBondContact O-CG 3.32Å; L826-L830 PolarHBondContact O-N 2.82Å
827	L	86.8	Confident	83	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-64.2	-35.2	176.2	-72.2	171.2	0	0	0	111.1	V592 V823 L830 V832 L835 F838 F840	V592-L827 HydrophobicContact CG1-CD2 4.2Å; V823-L827 HydrophobicContact CG1-CD1 3.89Å; V823-L827 HydrophobicContact CG1-CG 4.33Å; V823-L827 WeakPolarHBondContact O-CB 3.03Å; V823-L827 VanDerWaalsContact O-CG 3.28Å; V823-L827 WeakPolarHBondContact O-CG 3.35Å; V823-L827 PolarHBondContact O-N 2.95Å; L827-L830 PolarHBondContact O-N 3.04Å; L827-V832 HydrophobicContact CB-CB 4.27Å; L827-V832 HydrophobicContact CD2-CG2 4.3Å; L827-V832 VanDerWaalsContact O-CB 3.24Å; L827-V832 WeakPolarHBondContact O-CB 3.36Å; L827-V832 WeakPolarHBondContact O-CG2 3.47Å; L827-V832 PolarHBondContact O-N 3.35Å; L827-L835 HydrophobicContact CB-CD2 4.12Å; L827-L835 HydrophobicContact CD1-CD2 3.88Å; L827-F838 HydrophobicContact CD2-CD1 4.42Å; L827-F838 HydrophobicContact CD2-CD2 4.06Å; L827-F838 HydrophobicContact CD2-CE1 4.01Å; L827-F838 HydrophobicContact CD2-CE2 3.61Å; L827-F838 HydrophobicContact CD2-CG 4.43Å; L827-F838 HydrophobicContact CD2-CZ 3.56Å; L827-F840 HydrophobicContact CD1-CE1 4.1Å; L827-F840 HydrophobicContact CD1-CZ 3.85Å
828	K	87.1	Confident	82.6	Confident	31 Å²	31	35.9 Å²	35.9	14%	0.135	20%	0.198	C	C	.	.	H	α-helix	trans	-71.2	-30.5	177.8	-70.2	-80.5	-179.8	169.5	0	113.3	V824 L825 L826 E833 L862 G866 L868	V824-K828 WeakPolarHBondContact O-CB 3.41Å; V824-K828 WeakPolarHBondContact O-CG 3.44Å; V824-K828 PolarHBondContact O-N 2.95Å; V824-K828 VanDerWaalsContact O-N 3.12Å; L825-K828 WeakPolarHBondContact O-CB 3.37Å; L825-K828 PolarHBondContact O-N 2.75Å; L826-K828 VanDerWaalsContact C-N 3.27Å; L826-K828 PolarHBondContact O-N 3.37Å; K828-E833 PolarHBondContact NZ-O 2.86Å; K828-L862 HydrophobicContact CG-CD2 4.29Å; K828-G866 WeakPolarHBondContact CE-O 3.3Å; K828-G866 PolarHBondContact NZ-O 3.17Å; K828-L868 HydrophobicContact CB-CB 4.43Å; K828-L868 HydrophobicContact CB-CD1 4.36Å
829	S	86.1	Confident	82.4	Confident	44 Å²	44	39.3 Å²	39.3	31%	0.308	21%	0.213	S	C	.	.	H	α-helix	trans	-71.8	-35.8	170.3	47.4	0	0	0	0	112.9	L825 L826 G831 I876	L825-S829 PolarHBondContact O-N 2.96Å; L825-S829 VanDerWaalsContact O-N 3.11Å; L826-S829 PolarHBondContact O-N 3.11Å; L826-S829 PolarHBondContact O-OG 3.01Å; S829-G831 PolarHBondContact O-N 3.34Å; S829-I876 VanDerWaalsContact CB-CD1 3.47Å; S829-I876 WeakPolarHBondContact OG-CD1 3.45Å
830	L	81.7	Confident	82.4	Confident	45 Å²	45	39 Å²	39	24%	0.236	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	8.4	175.8	-68.4	166.1	0	0	0	113.6	C566 L567 L596 L826 L827	C566-L830 WeakPolarHBondContact O-CD2 3.28Å; L567-L830 HydrophobicContact CD2-CD1 4.32Å; L567-L830 HydrophobicContact CD2-CD2 3.79Å; L567-L830 HydrophobicContact CD2-CG 3.82Å; L596-L830 HydrophobicContact CD1-CD1 3.66Å; L596-L830 HydrophobicContact CD2-CD1 3.81Å; L596-L830 HydrophobicContact CG-CD1 4.39Å; L826-L830 HydrophobicContact CG-CD1 4.32Å; L826-L830 WeakPolarHBondContact O-CG 3.32Å; L826-L830 PolarHBondContact O-N 2.82Å; L827-L830 PolarHBondContact O-N 3.04Å
831	G	77.9	Confident	82.2	Confident	57 Å²	57	40 Å²	40	59%	0.588	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.5	4.6	175.9	0	0	0	0	0	115.1	S829 E833	S829-G831 PolarHBondContact O-N 3.34Å; G831-E833 VanDerWaalsContact C-N 3.3Å; G831-E833 PolarHBondContact O-N 3.29Å
832	V	79.4	Confident	82.2	Confident	17 Å²	17	41.7 Å²	41.7	10%	0.103	22%	0.223	C	C	.	.			trans	-74.9	81.5	179.1	-171.3	0	0	0	0	109.9	L827 D834 L835 F838	L827-V832 HydrophobicContact CB-CB 4.27Å; L827-V832 HydrophobicContact CD2-CG2 4.3Å; L827-V832 VanDerWaalsContact O-CB 3.24Å; L827-V832 WeakPolarHBondContact O-CB 3.36Å; L827-V832 WeakPolarHBondContact O-CG2 3.47Å; L827-V832 PolarHBondContact O-N 3.35Å; V832-D834 VanDerWaalsContact C-N 3.26Å; V832-D834 PolarHBondContact O-N 2.92Å; V832-L835 HydrophobicContact CG1-CD2 4.21Å; V832-F838 HydrophobicContact CG1-CB 3.87Å; V832-F838 HydrophobicContact CG1-CD2 3.89Å; V832-F838 HydrophobicContact CG1-CG 4.21Å; V832-F838 HydrophobicContact CG2-CD2 3.95Å; V832-F838 HydrophobicContact CG2-CE2 4.3Å
833	E	72.5	Confident	82.1	Confident	96 Å²	96	39.3 Å²	39.3	45%	0.449	21%	0.213	S	C	.	.			trans	-58.2	-38.5	179.3	-73.8	-167	139.4	0	0	112.6	K828 G831 K1116	K828-E833 PolarHBondContact NZ-O 2.86Å; G831-E833 VanDerWaalsContact C-N 3.3Å; G831-E833 PolarHBondContact O-N 3.29Å; E833-K1116 IonicContact OE1-NZ 3.14Å; E833-K1116 IonicContact OE2-NZ 3.58Å; E833-K1116 PolarHBondContact OE2-NZ 3.2Å
834	D	73	Confident	82.1	Confident	44 Å²	44	39 Å²	39	24%	0.235	21%	0.211	C	C	.	.			trans	-126.6	104.9	-167.9	-177	3.5	0	0	0	112	V832 L836 K837	V832-D834 VanDerWaalsContact C-N 3.26Å; V832-D834 PolarHBondContact O-N 2.92Å; D834-L836 PolarHBondContact O-N 2.79Å; D834-L836 WeakPolarHBondContact OD1-CB 3.44Å; D834-L836 PolarHBondContact OD1-N 2.73Å; D834-L836 VanDerWaalsContact OD1-N 3.08Å; D834-K837 HydrophobicContact CB-CD 4.47Å; D834-K837 HydrophobicContact CB-CG 4.38Å; D834-K837 PolarHBondContact O-N 2.77Å; D834-K837 VanDerWaalsContact O-N 3.12Å; D834-K837 IonicContact OD2-NZ 2.72Å; D834-K837 PolarHBondContact OD2-NZ 2.81Å
835	L	77.2	Confident	82	Confident	7 Å²	7	38.8 Å²	38.8	4%	0.037	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.6	-177.8	-58.8	-176.2	0	0	0	113.7	V824 L827 V832 K837 F840 I849 M853	V824-L835 HydrophobicContact CG1-CD1 4.34Å; V824-L835 HydrophobicContact CG2-CD1 4.14Å; L827-L835 HydrophobicContact CB-CD2 4.12Å; L827-L835 HydrophobicContact CD1-CD2 3.88Å; V832-L835 HydrophobicContact CG1-CD2 4.21Å; L835-K837 VanDerWaalsContact C-N 3.25Å; L835-K837 PolarHBondContact O-N 3.07Å; L835-F840 HydrophobicContact CB-CE2 4.47Å; L835-I849 HydrophobicContact CD1-CG2 3.75Å; L835-M853 HydrophobicContact CD1-CE 3.43Å; L835-M853 VanDerWaalsContact CD1-CE 3.43Å; L835-M853 HydrophobicContact CG-CE 4.01Å
836	L	71.5	Confident	81.7	Confident	83 Å²	83	40.4 Å²	40.4	44%	0.435	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-32	171.9	-79.9	175	0	0	0	112.6	I353 F354 D834	I353-L836 WeakPolarHBondContact O-CD1 3.39Å; I353-L836 WeakPolarHBondContact O-CD2 3.5Å; I353-L836 VanDerWaalsContact O-CG 3.28Å; I353-L836 WeakPolarHBondContact O-CG 3.32Å; F354-L836 VanDerWaalsContact C-CD2 3.49Å; D834-L836 PolarHBondContact O-N 2.79Å; D834-L836 WeakPolarHBondContact OD1-CB 3.44Å; D834-L836 PolarHBondContact OD1-N 2.73Å; D834-L836 VanDerWaalsContact OD1-N 3.08Å
837	K	72	Confident	81.5	Confident	148 Å²	148	41.7 Å²	41.7	64%	0.643	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-29.6	-175	-63	-171.3	179.4	86.3	0	111.9	D834 L835 H839	D834-K837 HydrophobicContact CB-CD 4.47Å; D834-K837 HydrophobicContact CB-CG 4.38Å; D834-K837 PolarHBondContact O-N 2.77Å; D834-K837 VanDerWaalsContact O-N 3.12Å; D834-K837 IonicContact OD2-NZ 2.72Å; D834-K837 PolarHBondContact OD2-NZ 2.81Å; L835-K837 VanDerWaalsContact C-N 3.25Å; L835-K837 PolarHBondContact O-N 3.07Å; K837-H839 PolarHBondContact O-N 2.95Å; K837-H839 PolarHBondContact O-ND1 2.93Å; K837-H839 VanDerWaalsContact O-ND1 3.16Å
838	F	82.2	Confident	81.5	Confident	9 Å²	9	41.8 Å²	41.8	4%	0.039	22%	0.224	C	C	.	.	S	Bend	trans	-56.5	137.6	179.6	-170.5	-101.7	0	0	0	111.6	L596 L827 V832 F840	L596-F838 HydrophobicContact CD2-CE2 3.97Å; L596-F838 HydrophobicContact CD2-CZ 4.38Å; L596-F838 HydrophobicContact CG-CE2 4.34Å; L596-F838 HydrophobicContact CG-CZ 4.27Å; L827-F838 HydrophobicContact CD2-CD1 4.42Å; L827-F838 HydrophobicContact CD2-CD2 4.06Å; L827-F838 HydrophobicContact CD2-CE1 4.01Å; L827-F838 HydrophobicContact CD2-CE2 3.61Å; L827-F838 HydrophobicContact CD2-CG 4.43Å; L827-F838 HydrophobicContact CD2-CZ 3.56Å; V832-F838 HydrophobicContact CG1-CB 3.87Å; V832-F838 HydrophobicContact CG1-CD2 3.89Å; V832-F838 HydrophobicContact CG1-CG 4.21Å; V832-F838 HydrophobicContact CG2-CD2 3.95Å; V832-F838 HydrophobicContact CG2-CE2 4.3Å; F838-F840 VanDerWaalsContact C-N 3.31Å; F838-F840 HydrophobicContact CB-CD2 4.47Å; F838-F840 HydrophobicContact CB-CE2 4.11Å; F838-F840 HydrophobicContact CB-CZ 4.5Å; F838-F840 AromaticContact CD1-CD1 3.69Å; F838-F840 HydrophobicContact CD1-CD1 3.69Å; F838-F840 AromaticContact CD1-CD2 3.91Å; F838-F840 HydrophobicContact CD1-CD2 3.91Å; F838-F840 AromaticContact CD1-CE1 3.52Å; F838-F840 HydrophobicContact CD1-CE1 3.52Å; F838-F840 AromaticContact CD1-CE2 3.76Å; F838-F840 HydrophobicContact CD1-CE2 3.76Å; F838-F840 AromaticContact CD1-CG 3.88Å; F838-F840 HydrophobicContact CD1-CG 3.88Å; F838-F840 AromaticContact CD1-CZ 3.56Å; F838-F840 HydrophobicContact CD1-CZ 3.56Å; F838-F840 AromaticContact CE1-CD1 3.87Å; F838-F840 HydrophobicContact CE1-CD1 3.87Å; F838-F840 AromaticContact CE1-CE1 3.75Å; F838-F840 HydrophobicContact CE1-CE1 3.75Å; F838-F840 HydrophobicContact CE1-CG 4.43Å; F838-F840 HydrophobicContact CE1-CZ 4.23Å; F838-F840 HydrophobicContact CG-CE2 4.39Å; F838-F840 HydrophobicContact CG-CZ 4.37Å; F838-F840 PolarHBondContact O-N 3.03Å
839	H	81.9	Confident	81.4	Confident	77 Å²	77	40.3 Å²	40.3	36%	0.356	22%	0.218	S	C	.	.			trans	-83.6	73.1	-175.6	-65.1	-17.7	0	0	0	111.3	G595 K598 F624 K837	G595-H839 VanDerWaalsContact CA-O 3.31Å; G595-H839 WeakPolarHBondContact CA-O 3.47Å; K598-H839 HydrophobicContact CD-CB 4.02Å; K598-H839 WeakPolarHBondContact CE-CD2 3.31Å; F624-H839 HydrophobicContact CE2-CB 4.1Å; F624-H839 WeakPolarHBondContact CE2-O 3.35Å; F624-H839 HydrophobicContact CZ-CB 4.1Å; F624-H839 WeakPolarHBondContact CZ-O 3.14Å; K837-H839 PolarHBondContact O-N 2.95Å; K837-H839 PolarHBondContact O-ND1 2.93Å; K837-H839 VanDerWaalsContact O-ND1 3.16Å
840	F	84.6	Confident	81.3	Confident	30 Å²	30	40.2 Å²	40.2	13%	0.132	21%	0.214	C	C	.	.			trans	-68	137.9	162.8	-61.3	-69.8	0	0	0	110.3	I815 L827 L835 F838 P843 P844	I815-F840 HydrophobicContact CD1-CD1 3.59Å; I815-F840 HydrophobicContact CD1-CE1 3.68Å; L827-F840 HydrophobicContact CD1-CE1 4.1Å; L827-F840 HydrophobicContact CD1-CZ 3.85Å; L835-F840 HydrophobicContact CB-CE2 4.47Å; F838-F840 VanDerWaalsContact C-N 3.31Å; F838-F840 HydrophobicContact CB-CD2 4.47Å; F838-F840 HydrophobicContact CB-CE2 4.11Å; F838-F840 HydrophobicContact CB-CZ 4.5Å; F838-F840 AromaticContact CD1-CD1 3.69Å; F838-F840 HydrophobicContact CD1-CD1 3.69Å; F838-F840 AromaticContact CD1-CD2 3.91Å; F838-F840 HydrophobicContact CD1-CD2 3.91Å; F838-F840 AromaticContact CD1-CE1 3.52Å; F838-F840 HydrophobicContact CD1-CE1 3.52Å; F838-F840 AromaticContact CD1-CE2 3.76Å; F838-F840 HydrophobicContact CD1-CE2 3.76Å; F838-F840 AromaticContact CD1-CG 3.88Å; F838-F840 HydrophobicContact CD1-CG 3.88Å; F838-F840 AromaticContact CD1-CZ 3.56Å; F838-F840 HydrophobicContact CD1-CZ 3.56Å; F838-F840 AromaticContact CE1-CD1 3.87Å; F838-F840 HydrophobicContact CE1-CD1 3.87Å; F838-F840 AromaticContact CE1-CE1 3.75Å; F838-F840 HydrophobicContact CE1-CE1 3.75Å; F838-F840 HydrophobicContact CE1-CG 4.43Å; F838-F840 HydrophobicContact CE1-CZ 4.23Å; F838-F840 HydrophobicContact CG-CE2 4.39Å; F838-F840 HydrophobicContact CG-CZ 4.37Å; F838-F840 PolarHBondContact O-N 3.03Å; F840-P843 HydrophobicContact CB-CB 4.27Å; F840-P844 HydrophobicContact CE1-CG 4.4Å; F840-P844 HydrophobicContact CE2-CG 4.47Å; F840-P844 HydrophobicContact CZ-CG 4.35Å
841	M	84.7	Confident	81.5	Confident	27 Å²	27	39 Å²	39	13%	0.133	21%	0.208	C	C	.	.	S	Bend	trans	-72.4	-55.8	175.1	-175.7	179.2	-67.5	0	0	111	F594 F621 F624	F594-M841 HydrophobicContact CB-CE 4.34Å; F594-M841 HydrophobicContact CD2-CE 3.63Å; F594-M841 HydrophobicContact CE2-CE 4.11Å; F594-M841 HydrophobicContact CG-CE 4.06Å; F621-M841 HydrophobicContact CD1-CE 3.59Å; F621-M841 HydrophobicContact CD1-SD 4.04Å; F621-M841 HydrophobicContact CE1-CE 3.88Å; F621-M841 HydrophobicContact CE1-SD 3.93Å; F624-M841 HydrophobicContact CB-CE 4.04Å; F624-M841 HydrophobicContact CB-CG 4.34Å; F624-M841 HydrophobicContact CD1-CE 3.7Å; F624-M841 HydrophobicContact CD2-CB 3.83Å; F624-M841 HydrophobicContact CD2-CE 4.43Å; F624-M841 HydrophobicContact CD2-CG 4.05Å; F624-M841 HydrophobicContact CE1-CE 4.29Å; F624-M841 HydrophobicContact CE2-CB 3.98Å; F624-M841 HydrophobicContact CG-CB 4.31Å; F624-M841 HydrophobicContact CG-CE 3.78Å; F624-M841 HydrophobicContact CG-CG 4.18Å
842	D	86.5	Confident	82	Confident	39 Å²	39	36.3 Å²	36.3	21%	0.209	18%	0.18	C	C	.	.	S	Bend	trans	-113	115.6	163.5	-67.7	-77.5	0	0	0	107.4	R586 P813	R586-D842 IonicContact CZ-OD2 2.7Å; R586-D842 IonicContact NH1-OD2 4Å; R586-D842 PolarHBondContact NH1-OD2 3.26Å; R586-D842 IonicContact NH2-OD2 2.57Å; R586-D842 PolarHBondContact NH2-OD2 3.45Å; P813-D842 HydrophobicContact CG-CB 4.08Å
843	P	86.6	Confident	82.3	Confident	35 Å²	35	35.6 Å²	35.6	23%	0.227	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-72.8	142.1	-172.6	29.3	-35.2	0	0	0	111.7	K356 Q357 Q816 F840	K356-P843 HydrophobicContact CB-CG 4.48Å; Q357-P843 HydrophobicContact CB-CG 4.47Å; Q816-P843 PolarHBondContact NE2-O 2.7Å; F840-P843 HydrophobicContact CB-CB 4.27Å
844	P	88.3	Confident	82.9	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.013	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-67.1	153.1	177.5	16.3	-21.9	0	0	0	113.4	T355 I815 L820 F840 I849	T355-P844 WeakPolarHBondContact CB-O 3.4Å; T355-P844 WeakPolarHBondContact CG2-O 3.38Å; T355-P844 PolarHBondContact OG1-O 3.04Å; I815-P844 HydrophobicContact CD1-CG 4.32Å; I815-P844 HydrophobicContact CG1-CB 4.25Å; I815-P844 HydrophobicContact CG1-CG 4.17Å; L820-P844 HydrophobicContact CD1-CB 3.41Å; L820-P844 VanDerWaalsContact CD1-CB 3.41Å; L820-P844 HydrophobicContact CD1-CG 3.9Å; F840-P844 HydrophobicContact CE1-CG 4.4Å; F840-P844 HydrophobicContact CE2-CG 4.47Å; F840-P844 HydrophobicContact CZ-CG 4.35Å; P844-I849 HydrophobicContact CB-CD1 4.41Å; P844-I849 HydrophobicContact CB-CG1 4.19Å; P844-I849 HydrophobicContact CG-CD1 3.94Å; P844-I849 HydrophobicContact CG-CG1 4.03Å
845	P	86.7	Confident	83.6	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-61	147.4	175.8	-24.5	34	0	0	0	113.9	Q357 Q816 D847 N848 I849	Q357-P845 CarbonylContact O-C 3.57Å; Q357-P845 WeakPolarHBondContact O-CA 3.46Å; Q816-P845 HydrophobicContact CB-CG 4.49Å; P845-D847 PolarHBondContact O-N 2.83Å; P845-N848 PolarHBondContact O-N 2.92Å; P845-N848 VanDerWaalsContact O-N 3.14Å; P845-I849 PolarHBondContact O-N 2.94Å
846	Q	83.3	Confident	84.2	Confident	35 Å²	35	31.1 Å²	31.1	16%	0.164	15%	0.152	C	C	.	.	H	α-helix	trans	-63.1	-42.9	-174.6	-167.6	170.8	-10.4	0	0	112.5	T355 Q357 N848 I849 L850	T355-Q846 HydrophobicContact CG2-CB 3.47Å; T355-Q846 VanDerWaalsContact CG2-CB 3.47Å; T355-Q846 HydrophobicContact CG2-CG 4.01Å; Q357-Q846 PolarHBondContact O-N 3.47Å; Q846-N848 VanDerWaalsContact C-N 3.26Å; Q846-N848 PolarHBondContact O-N 3.46Å; Q846-I849 PolarHBondContact O-N 2.83Å; Q846-L850 HydrophobicContact CG-CD1 3.84Å; Q846-L850 HydrophobicContact CG-CG 4.07Å; Q846-L850 WeakPolarHBondContact O-CB 3.34Å; Q846-L850 VanDerWaalsContact O-CG 3.31Å; Q846-L850 WeakPolarHBondContact O-CG 3.38Å; Q846-L850 PolarHBondContact O-N 2.94Å
847	D	82.3	Confident	85	Confident	48 Å²	48	27.6 Å²	27.6	26%	0.257	13%	0.133	S	C	.	.	H	α-helix	trans	-56.6	-37.8	176	-77.8	6.4	0	0	0	112.1	P762 R763 P845 N851	P762-D847 HydrophobicContact CB-CB 4.05Å; P762-D847 HydrophobicContact CG-CB 3.73Å; R763-D847 IonicContact NE-OD2 3.15Å; P845-D847 PolarHBondContact O-N 2.83Å; D847-N851 VanDerWaalsContact O-CB 3.25Å; D847-N851 WeakPolarHBondContact O-CB 3.47Å; D847-N851 PolarHBondContact O-N 2.83Å
848	N	85.5	Confident	85.7	Confident	3 Å²	3	20.7 Å²	20.7	2%	0.016	10%	0.103	C	C	.	.	H	α-helix	trans	-69.2	-43.3	179	-67.8	18.6	0	0	0	111.3	P762 Q816 T818 L820 P845 Q846 S852	P762-N848 WeakPolarHBondContact CG-OD1 3.45Å; Q816-N848 PolarHBondContact O-ND2 3.05Å; T818-N848 PolarHBondContact O-ND2 3.31Å; L820-N848 HydrophobicContact CD1-CB 4.03Å; P845-N848 PolarHBondContact O-N 2.92Å; P845-N848 VanDerWaalsContact O-N 3.14Å; Q846-N848 VanDerWaalsContact C-N 3.26Å; Q846-N848 PolarHBondContact O-N 3.46Å; N848-S852 VanDerWaalsContact O-CB 3.27Å; N848-S852 WeakPolarHBondContact O-CB 3.44Å; N848-S852 PolarHBondContact O-N 3.5Å; N848-S852 PolarHBondContact O-OG 3.18Å
849	I	86.4	Confident	86	Confident	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-67	-46	177.7	-55.3	172.8	0	0	0	110.4	F354 T355 L820 L835 P844 P845 Q846 S852 M853	F354-I849 HydrophobicContact CB-CD1 4.34Å; F354-I849 HydrophobicContact CB-CG2 4.02Å; T355-I849 HydrophobicContact CG2-CD1 3.85Å; L820-I849 HydrophobicContact CD1-CG1 4.42Å; L835-I849 HydrophobicContact CD1-CG2 3.75Å; P844-I849 HydrophobicContact CB-CD1 4.41Å; P844-I849 HydrophobicContact CB-CG1 4.19Å; P844-I849 HydrophobicContact CG-CD1 3.94Å; P844-I849 HydrophobicContact CG-CG1 4.03Å; P845-I849 PolarHBondContact O-N 2.94Å; Q846-I849 PolarHBondContact O-N 2.83Å; I849-S852 PolarHBondContact O-N 2.77Å; I849-M853 HydrophobicContact CG2-CG 4.29Å; I849-M853 WeakPolarHBondContact O-CB 3.28Å; I849-M853 VanDerWaalsContact O-CG 3.31Å; I849-M853 WeakPolarHBondContact O-CG 3.43Å; I849-M853 PolarHBondContact O-N 3.42Å
850	L	84.1	Confident	86.3	Confident	41 Å²	41	19.3 Å²	19.3	22%	0.215	10%	0.103	C	C	.	.	H	α-helix	trans	-60.3	-47	179.2	-72.4	174.9	0	0	0	111.3	L348 F354 Q846 M853 Y854	L348-L850 HydrophobicContact CD2-CD2 3.67Å; F354-L850 HydrophobicContact CD2-CD2 3.58Å; F354-L850 HydrophobicContact CD2-CG 4.49Å; F354-L850 HydrophobicContact CE2-CD2 3.7Å; Q846-L850 HydrophobicContact CG-CD1 3.84Å; Q846-L850 HydrophobicContact CG-CG 4.07Å; Q846-L850 WeakPolarHBondContact O-CB 3.34Å; Q846-L850 VanDerWaalsContact O-CG 3.31Å; Q846-L850 WeakPolarHBondContact O-CG 3.38Å; Q846-L850 PolarHBondContact O-N 2.94Å; L850-M853 PolarHBondContact O-N 2.94Å; L850-Y854 VanDerWaalsContact O-CB 3.3Å; L850-Y854 WeakPolarHBondContact O-CB 3.38Å; L850-Y854 PolarHBondContact O-N 2.92Å
851	N	84.9	Confident	86.6	Confident	20 Å²	20	17.9 Å²	17.9	11%	0.107	10%	0.097	C	C	.	.	H	α-helix	trans	-64.9	-38.9	176.5	-173.3	14.5	0	0	0	111.8	F760 P762 D847 Y854 Q855	F760-N851 WeakPolarHBondContact CZ-ND2 3.38Å; P762-N851 HydrophobicContact CB-CB 4.39Å; P762-N851 PolarHBondContact O-ND2 2.86Å; D847-N851 VanDerWaalsContact O-CB 3.25Å; D847-N851 WeakPolarHBondContact O-CB 3.47Å; D847-N851 PolarHBondContact O-N 2.83Å; N851-Y854 PolarHBondContact O-N 3.2Å; N851-Q855 VanDerWaalsContact CG-NE2 3.27Å; N851-Q855 PolarHBondContact ND2-NE2 2.87Å; N851-Q855 WeakPolarHBondContact O-CB 3.44Å; N851-Q855 VanDerWaalsContact O-CG 3.3Å; N851-Q855 WeakPolarHBondContact O-CG 3.45Å; N851-Q855 PolarHBondContact O-N 3.44Å; N851-Q855 PolarHBondContact OD1-NE2 3.4Å
852	S	87.5	Confident	86.8	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.9	-44.8	176.8	-60.1	0	0	0	0	112.2	N819 L820 A821 N848 I849 Y854 Q855 L856	N819-S852 PolarHBondContact OD1-OG 3.1Å; L820-S852 WeakPolarHBondContact CA-OG 3.22Å; L820-S852 WeakPolarHBondContact CB-OG 3.5Å; L820-S852 PolarHBondContact N-OG 2.9Å; A821-S852 PolarHBondContact N-OG 3.43Å; N848-S852 VanDerWaalsContact O-CB 3.27Å; N848-S852 WeakPolarHBondContact O-CB 3.44Å; N848-S852 PolarHBondContact O-N 3.5Å; N848-S852 PolarHBondContact O-OG 3.18Å; I849-S852 PolarHBondContact O-N 2.77Å; S852-Y854 VanDerWaalsContact C-N 3.33Å; S852-Y854 PolarHBondContact O-N 3.49Å; S852-Q855 PolarHBondContact O-N 2.84Å; S852-L856 WeakPolarHBondContact O-CG 3.35Å; S852-L856 PolarHBondContact O-N 3.06Å
853	M	86.7	Confident	86.7	Confident	2 Å²	2	17.5 Å²	17.5	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-60	-42.9	172.5	-74.3	-80	-174.5	0	0	111.7	F347 L348 V824 L835 I849 L850 L856 W857 L862	F347-M853 HydrophobicContact CE2-CB 4.29Å; F347-M853 HydrophobicContact CE2-SD 4.38Å; L348-M853 HydrophobicContact CD1-CB 4.38Å; L348-M853 HydrophobicContact CD2-CB 3.94Å; V824-M853 HydrophobicContact CG1-CE 3.73Å; V824-M853 HydrophobicContact CG1-CG 4.28Å; V824-M853 HydrophobicContact CG1-SD 3.8Å; L835-M853 HydrophobicContact CD1-CE 3.43Å; L835-M853 VanDerWaalsContact CD1-CE 3.43Å; L835-M853 HydrophobicContact CG-CE 4.01Å; I849-M853 HydrophobicContact CG2-CG 4.29Å; I849-M853 WeakPolarHBondContact O-CB 3.28Å; I849-M853 VanDerWaalsContact O-CG 3.31Å; I849-M853 WeakPolarHBondContact O-CG 3.43Å; I849-M853 PolarHBondContact O-N 3.42Å; L850-M853 PolarHBondContact O-N 2.94Å; M853-L856 PolarHBondContact O-N 2.82Å; M853-W857 WeakPolarHBondContact O-CB 3.31Å; M853-W857 PolarHBondContact O-N 2.82Å; M853-L862 HydrophobicContact SD-CD1 3.54Å; M853-L862 VanDerWaalsContact SD-CD1 3.54Å
854	Y	86	Confident	86.5	Confident	30 Å²	30	16.9 Å²	16.9	12%	0.118	9%	0.09	C	C	.	.	H	α-helix	trans	-62.9	-48.7	177.6	-172.4	-118.1	0	0	0	111.6	M343 L348 L850 N851 S852 L856 W857 T858 F1077	M343-Y854 VanDerWaalsContact O-CE2 3.23Å; M343-Y854 WeakPolarHBondContact O-CE2 3.26Å; M343-Y854 PolarHBondContact O-OH 2.86Å; L348-Y854 HydrophobicContact CD1-CD2 4.06Å; L348-Y854 HydrophobicContact CD1-CG 4.47Å; L850-Y854 VanDerWaalsContact O-CB 3.3Å; L850-Y854 WeakPolarHBondContact O-CB 3.38Å; L850-Y854 PolarHBondContact O-N 2.92Å; N851-Y854 PolarHBondContact O-N 3.2Å; S852-Y854 VanDerWaalsContact C-N 3.33Å; S852-Y854 PolarHBondContact O-N 3.49Å; Y854-L856 PolarHBondContact O-N 3.36Å; Y854-W857 AromaticContact CD2-CE3 3.9Å; Y854-W857 HydrophobicContact CD2-CE3 3.9Å; Y854-W857 HydrophobicContact CD2-CZ3 4.25Å; Y854-W857 AromaticContact CE2-CE3 3.81Å; Y854-W857 HydrophobicContact CE2-CE3 3.81Å; Y854-W857 AromaticContact CE2-CZ3 3.69Å; Y854-W857 HydrophobicContact CE2-CZ3 3.69Å; Y854-W857 PolarHBondContact O-N 2.92Å; Y854-T858 HydrophobicContact CD1-CG2 4.43Å; Y854-T858 HydrophobicContact CD2-CG2 4.48Å; Y854-T858 HydrophobicContact CE1-CG2 4.25Å; Y854-T858 HydrophobicContact CE2-CG2 4.3Å; Y854-T858 VanDerWaalsContact O-CG2 3.29Å; Y854-T858 WeakPolarHBondContact O-CG2 3.11Å; Y854-T858 PolarHBondContact O-N 3.28Å; Y854-T858 PolarHBondContact O-OG1 2.9Å; Y854-F1077 HydrophobicContact CE1-CE1 4.33Å; Y854-F1077 AromaticContact CE1-CZ 3.94Å; Y854-F1077 HydrophobicContact CE1-CZ 3.94Å; Y854-F1077 AromaticContact CZ-CZ 3.8Å; Y854-F1077 VanDerWaalsContact OH-CE1 3.26Å; Y854-F1077 WeakPolarHBondContact OH-CE1 3.34Å; Y854-F1077 VanDerWaalsContact OH-CZ 3.31Å; Y854-F1077 WeakPolarHBondContact OH-CZ 3.37Å
855	Q	86.7	Confident	86	Confident	24 Å²	24	18.1 Å²	18.1	11%	0.112	10%	0.097	C	C	.	.	H	α-helix	trans	-55.1	-50.5	175.3	-74.2	170.4	30.2	0	0	111.3	N819 N851 S852 W857 T858 L859	N819-Q855 PolarHBondContact ND2-OE1 3.26Å; N851-Q855 VanDerWaalsContact CG-NE2 3.27Å; N851-Q855 PolarHBondContact ND2-NE2 2.87Å; N851-Q855 WeakPolarHBondContact O-CB 3.44Å; N851-Q855 VanDerWaalsContact O-CG 3.3Å; N851-Q855 WeakPolarHBondContact O-CG 3.45Å; N851-Q855 PolarHBondContact O-N 3.44Å; N851-Q855 PolarHBondContact OD1-NE2 3.4Å; S852-Q855 PolarHBondContact O-N 2.84Å; Q855-W857 VanDerWaalsContact C-N 3.34Å; Q855-W857 PolarHBondContact O-N 3.48Å; Q855-T858 PolarHBondContact O-N 3.49Å; Q855-T858 PolarHBondContact O-OG1 3.46Å; Q855-L859 WeakPolarHBondContact O-CB 3.41Å; Q855-L859 WeakPolarHBondContact O-CG 3.23Å; Q855-L859 PolarHBondContact O-N 2.94Å
856	L	89.9	Confident	85.8	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.6	-35.6	178.6	-65.9	178.2	0	0	0	113.6	A821 V824 L825 S852 M853 Y854 L859 S860 A861 L862 P882	A821-L856 HydrophobicContact CB-CD2 4.35Å; A821-L856 WeakPolarHBondContact O-CD1 3.3Å; V824-L856 HydrophobicContact CB-CD1 3.94Å; V824-L856 HydrophobicContact CG1-CD1 3.71Å; L825-L856 HydrophobicContact CB-CD1 3.86Å; L825-L856 HydrophobicContact CB-CD2 4.04Å; L825-L856 HydrophobicContact CD1-CD1 4.29Å; L825-L856 HydrophobicContact CD1-CD2 4.14Å; L825-L856 HydrophobicContact CD2-CD2 4.26Å; L825-L856 HydrophobicContact CG-CD2 4.36Å; S852-L856 WeakPolarHBondContact O-CG 3.35Å; S852-L856 PolarHBondContact O-N 3.06Å; M853-L856 PolarHBondContact O-N 2.82Å; Y854-L856 PolarHBondContact O-N 3.36Å; L856-L859 PolarHBondContact O-N 2.87Å; L856-S860 PolarHBondContact O-N 3.32Å; L856-A861 HydrophobicContact CB-CB 4.32Å; L856-A861 HydrophobicContact CD2-CB 4.32Å; L856-A861 WeakPolarHBondContact O-CB 3.47Å; L856-A861 PolarHBondContact O-N 2.76Å; L856-L862 HydrophobicContact CB-CB 4.46Å; L856-L862 HydrophobicContact CB-CD1 3.75Å; L856-L862 HydrophobicContact CB-CG 3.78Å; L856-L862 HydrophobicContact CD1-CD1 4.01Å; L856-L862 HydrophobicContact CD1-CG 4.31Å; L856-L862 PolarHBondContact O-N 3.03Å; L856-P882 HydrophobicContact CD2-CB 3.94Å; L856-P882 HydrophobicContact CD2-CG 3.95Å
857	W	88.8	Confident	85.8	Confident	8 Å²	8	20 Å²	20	3%	0.03	11%	0.106	C	C	.	.	H	α-helix	trans	-65	-45.3	172.6	173.9	75.9	0	0	0	111.6	M343 P345 F347 M853 Y854 Q855 L859 S860 L862 N864 M1076 M1101	M343-W857 HydrophobicContact CB-CH2 4.49Å; P345-W857 HydrophobicContact CB-CD2 3.96Å; P345-W857 HydrophobicContact CB-CE3 4.46Å; P345-W857 HydrophobicContact CB-CG 4.39Å; P345-W857 HydrophobicContact CB-CH2 4.35Å; P345-W857 HydrophobicContact CB-CZ2 3.83Å; P345-W857 HydrophobicContact CG-CD2 3.63Å; P345-W857 HydrophobicContact CG-CE3 3.86Å; P345-W857 HydrophobicContact CG-CG 4Å; P345-W857 HydrophobicContact CG-CH2 4.48Å; P345-W857 HydrophobicContact CG-CZ2 4.28Å; P345-W857 HydrophobicContact CG-CZ3 4.29Å; F347-W857 HydrophobicContact CE1-CG 4.36Å; F347-W857 HydrophobicContact CZ-CB 4.33Å; M853-W857 WeakPolarHBondContact O-CB 3.31Å; M853-W857 PolarHBondContact O-N 2.82Å; Y854-W857 AromaticContact CD2-CE3 3.9Å; Y854-W857 HydrophobicContact CD2-CE3 3.9Å; Y854-W857 HydrophobicContact CD2-CZ3 4.25Å; Y854-W857 AromaticContact CE2-CE3 3.81Å; Y854-W857 HydrophobicContact CE2-CE3 3.81Å; Y854-W857 AromaticContact CE2-CZ3 3.69Å; Y854-W857 HydrophobicContact CE2-CZ3 3.69Å; Y854-W857 PolarHBondContact O-N 2.92Å; Q855-W857 VanDerWaalsContact C-N 3.34Å; Q855-W857 PolarHBondContact O-N 3.48Å; W857-L859 VanDerWaalsContact C-N 3.27Å; W857-L859 PolarHBondContact O-N 3.13Å; W857-S860 WeakPolarHBondContact O-CA 3.27Å; W857-S860 PolarHBondContact O-N 3.25Å; W857-L862 HydrophobicContact CB-CB 4.42Å; W857-N864 PolarHBondContact NE1-OD1 3.2Å; W857-M1076 HydrophobicContact CD2-CE 4.18Å; W857-M1076 HydrophobicContact CE3-CE 4.02Å; W857-M1076 HydrophobicContact CH2-CE 3.48Å; W857-M1076 VanDerWaalsContact CH2-CE 3.48Å; W857-M1076 HydrophobicContact CH2-SD 3.58Å; W857-M1076 VanDerWaalsContact CH2-SD 3.58Å; W857-M1076 HydrophobicContact CZ2-CE 3.64Å; W857-M1076 HydrophobicContact CZ2-SD 3.58Å; W857-M1076 VanDerWaalsContact CZ2-SD 3.58Å; W857-M1076 HydrophobicContact CZ3-CE 3.66Å; W857-M1076 HydrophobicContact CZ3-SD 4.36Å; W857-M1101 HydrophobicContact CH2-SD 4.47Å; W857-M1101 HydrophobicContact CZ2-SD 3.91Å
858	T	86.5	Confident	86.1	Confident	3 Å²	3	19 Å²	19	2%	0.018	10%	0.101	C	C	.	.	H	α-helix	trans	-64.2	-33.1	175.4	64.9	0	0	0	0	112.5	Y854 Q855 S860 F1007 F1077	Y854-T858 HydrophobicContact CD1-CG2 4.43Å; Y854-T858 HydrophobicContact CD2-CG2 4.48Å; Y854-T858 HydrophobicContact CE1-CG2 4.25Å; Y854-T858 HydrophobicContact CE2-CG2 4.3Å; Y854-T858 VanDerWaalsContact O-CG2 3.29Å; Y854-T858 WeakPolarHBondContact O-CG2 3.11Å; Y854-T858 PolarHBondContact O-N 3.28Å; Y854-T858 PolarHBondContact O-OG1 2.9Å; Q855-T858 PolarHBondContact O-N 3.49Å; Q855-T858 PolarHBondContact O-OG1 3.46Å; T858-S860 PolarHBondContact O-N 3.07Å; T858-F1007 WeakPolarHBondContact O-CZ 3.41Å; T858-F1077 HydrophobicContact CG2-CE2 3.41Å; T858-F1077 VanDerWaalsContact CG2-CE2 3.41Å; T858-F1077 HydrophobicContact CG2-CZ 3.52Å
859	L	88.3	Confident	86.4	Confident	3 Å²	3	20.1 Å²	20.1	2%	0.016	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-3	171.9	-67.8	172.9	0	0	0	113	Q855 L856 W857 A861 M875 P882 T883 K886	Q855-L859 WeakPolarHBondContact O-CB 3.41Å; Q855-L859 WeakPolarHBondContact O-CG 3.23Å; Q855-L859 PolarHBondContact O-N 2.94Å; L856-L859 PolarHBondContact O-N 2.87Å; W857-L859 VanDerWaalsContact C-N 3.27Å; W857-L859 PolarHBondContact O-N 3.13Å; L859-A861 PolarHBondContact O-N 2.94Å; L859-M875 HydrophobicContact CB-CE 4.35Å; L859-P882 HydrophobicContact CD1-CB 3.69Å; L859-T883 HydrophobicContact CD1-CG2 4.08Å; L859-T883 HydrophobicContact CD2-CG2 4.29Å; L859-K886 VanDerWaalsContact C-NZ 3.25Å; L859-K886 HydrophobicContact CB-CD 4.21Å; L859-K886 HydrophobicContact CD2-CB 4.31Å; L859-K886 HydrophobicContact CD2-CD 3.67Å; L859-K886 WeakPolarHBondContact O-CD 3.31Å; L859-K886 PolarHBondContact O-NZ 2.74Å
860	S	87.9	Confident	86.6	Confident	54 Å²	54	24.6 Å²	24.6	38%	0.378	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	66	15.2	-177.3	-37.1	0	0	0	0	113.9	L856 W857 T858 T869 K886	L856-S860 PolarHBondContact O-N 3.32Å; W857-S860 WeakPolarHBondContact O-CA 3.27Å; W857-S860 PolarHBondContact O-N 3.25Å; T858-S860 PolarHBondContact O-N 3.07Å; S860-T869 WeakPolarHBondContact O-CB 3.3Å; S860-T869 WeakPolarHBondContact O-CG2 3.33Å; S860-T869 PolarHBondContact O-OG1 3.03Å; S860-K886 PolarHBondContact OG-NZ 3.05Å; S860-K886 VanDerWaalsContact OG-NZ 3.14Å
861	A	90.7	Very high	86.9	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-79.1	-26.9	173.4	0	0	0	0	0	112	L825 L856 L859 T869 M875	L825-A861 HydrophobicContact CD1-CB 3.92Å; L856-A861 HydrophobicContact CB-CB 4.32Å; L856-A861 HydrophobicContact CD2-CB 4.32Å; L856-A861 WeakPolarHBondContact O-CB 3.47Å; L856-A861 PolarHBondContact O-N 2.76Å; L859-A861 PolarHBondContact O-N 2.94Å; A861-T869 WeakPolarHBondContact CA-OG1 3.48Å; A861-T869 PolarHBondContact O-N 2.93Å; A861-T869 PolarHBondContact O-OG1 3.23Å; A861-M875 HydrophobicContact CB-CE 4.04Å; A861-M875 HydrophobicContact CB-SD 3.68Å
862	L	89.1	Confident	87.2	Confident	3 Å²	3	23.6 Å²	23.6	2%	0.016	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-114.2	138.9	170.4	-65.2	178.8	0	0	0	111.6	K828 M853 L856 W857 K867 L868	K828-L862 HydrophobicContact CG-CD2 4.29Å; M853-L862 HydrophobicContact SD-CD1 3.54Å; M853-L862 VanDerWaalsContact SD-CD1 3.54Å; L856-L862 HydrophobicContact CB-CB 4.46Å; L856-L862 HydrophobicContact CB-CD1 3.75Å; L856-L862 HydrophobicContact CB-CG 3.78Å; L856-L862 HydrophobicContact CD1-CD1 4.01Å; L856-L862 HydrophobicContact CD1-CG 4.31Å; L856-L862 PolarHBondContact O-N 3.03Å; W857-L862 HydrophobicContact CB-CB 4.42Å; L862-K867 CarbonylContact C-O 3.55Å; L862-K867 VanDerWaalsContact CA-O 3.28Å; L862-K867 WeakPolarHBondContact CA-O 3.47Å; L862-K867 WeakPolarHBondContact CD2-O 3.49Å; L862-L868 HydrophobicContact CD2-CD1 4.49Å
863	D	85.4	Confident	87.2	Confident	56 Å²	56	31.6 Å²	31.6	30%	0.299	16%	0.161	S	C	.	.			trans	-73.2	167.4	173.3	167.2	56.9	0	0	0	112.4	T865 G866 K867 T869	D863-T865 PolarHBondContact O-N 3.14Å; D863-T865 VanDerWaalsContact OD2-CB 3.32Å; D863-T865 WeakPolarHBondContact OD2-CB 3.5Å; D863-T865 PolarHBondContact OD2-N 2.57Å; D863-T865 PolarHBondContact OD2-OG1 3.28Å; D863-G866 PolarHBondContact O-N 3.43Å; D863-K867 HydrophobicContact CB-CB 4.28Å; D863-K867 PolarHBondContact N-O 3.32Å; D863-T869 HydrophobicContact CB-CG2 4.12Å
864	N	81.1	Confident	87.4	Confident	21 Å²	21	35.4 Å²	35.4	11%	0.112	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-13.9	172	-76.5	-22.9	0	0	0	114.2	F347 W857 E1104 M1105	F347-N864 VanDerWaalsContact CD1-O 3.26Å; F347-N864 WeakPolarHBondContact CD1-O 3.44Å; W857-N864 PolarHBondContact NE1-OD1 3.2Å; N864-E1104 PolarHBondContact ND2-OE2 2.9Å; N864-M1105 WeakPolarHBondContact O-CE 3.31Å
865	T	79.1	Confident	87.6	Confident	28 Å²	28	34.1 Å²	34.1	17%	0.172	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	1.2	169.3	64.4	0	0	0	0	115.5	D863 K867 A1108	D863-T865 PolarHBondContact O-N 3.14Å; D863-T865 VanDerWaalsContact OD2-CB 3.32Å; D863-T865 WeakPolarHBondContact OD2-CB 3.5Å; D863-T865 PolarHBondContact OD2-N 2.57Å; D863-T865 PolarHBondContact OD2-OG1 3.28Å; T865-K867 VanDerWaalsContact C-N 3.32Å; T865-K867 WeakPolarHBondContact OG1-CG 3.35Å; T865-A1108 HydrophobicContact CG2-CB 3.4Å; T865-A1108 VanDerWaalsContact CG2-CB 3.4Å
866	G	80.5	Confident	87.7	Confident	4 Å²	4	34.2 Å²	34.2	4%	0.041	18%	0.175	C	C	.	.	S	Bend	trans	74	21.4	-174.3	0	0	0	0	0	114	K828 D863	K828-G866 WeakPolarHBondContact CE-O 3.3Å; K828-G866 PolarHBondContact NZ-O 3.17Å; D863-G866 PolarHBondContact O-N 3.43Å
867	K	84.9	Confident	87.5	Confident	71 Å²	71	39.3 Å²	39.3	31%	0.309	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-88.7	152.7	171.3	-80	-95.7	-149.9	61.5	0	111	L862 D863 T865	L862-K867 CarbonylContact C-O 3.55Å; L862-K867 VanDerWaalsContact CA-O 3.28Å; L862-K867 WeakPolarHBondContact CA-O 3.47Å; L862-K867 WeakPolarHBondContact CD2-O 3.49Å; D863-K867 HydrophobicContact CB-CB 4.28Å; D863-K867 PolarHBondContact N-O 3.32Å; T865-K867 VanDerWaalsContact C-N 3.32Å; T865-K867 WeakPolarHBondContact OG1-CG 3.35Å
868	L	88.7	Confident	87.4	Confident	28 Å²	28	39.2 Å²	39.2	15%	0.147	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-71	127.3	174.5	-166.4	67.8	0	0	0	111.4	L825 K828 L862 R873 I876	L825-L868 HydrophobicContact CD1-CD1 3.47Å; L825-L868 VanDerWaalsContact CD1-CD1 3.47Å; K828-L868 HydrophobicContact CB-CB 4.43Å; K828-L868 HydrophobicContact CB-CD1 4.36Å; L862-L868 HydrophobicContact CD2-CD1 4.49Å; L868-R873 HydrophobicContact CD2-CG 3.53Å; L868-R873 HydrophobicContact CG-CG 4.01Å; L868-I876 HydrophobicContact CD1-CD1 4.28Å; L868-I876 HydrophobicContact CD2-CD1 4.06Å
869	T	91.4	Very high	87.3	Confident	26 Å²	26	40.1 Å²	40.1	16%	0.16	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-81.5	170.3	175.8	66.9	0	0	0	0	111.6	S860 A861 D863 G872 R873	S860-T869 WeakPolarHBondContact O-CB 3.3Å; S860-T869 WeakPolarHBondContact O-CG2 3.33Å; S860-T869 PolarHBondContact O-OG1 3.03Å; A861-T869 WeakPolarHBondContact CA-OG1 3.48Å; A861-T869 PolarHBondContact O-N 2.93Å; A861-T869 PolarHBondContact O-OG1 3.23Å; D863-T869 HydrophobicContact CB-CG2 4.12Å; T869-G872 PolarHBondContact O-N 2.75Å; T869-G872 PolarHBondContact OG1-N 3.12Å; T869-R873 PolarHBondContact O-N 2.97Å; T869-R873 VanDerWaalsContact O-N 3.14Å
870	P	90.2	Very high	87.2	Confident	95 Å²	95	40.6 Å²	40.6	62%	0.617	21%	0.207	S	C	*	.	H	α-helix	trans	-57.6	-49.5	171.5	-25.2	35.9	0	0	0	112.4	G872 R873 E874	P870-G872 VanDerWaalsContact C-N 3.26Å; P870-G872 PolarHBondContact O-N 2.68Å; P870-R873 WeakPolarHBondContact O-CA 3.31Å; P870-R873 WeakPolarHBondContact O-CB 3.47Å; P870-R873 PolarHBondContact O-N 3.39Å; P870-E874 PolarHBondContact O-N 3.22Å; P870-E874 VanDerWaalsContact O-N 3.13Å
871	M	90.3	Very high	87.2	Confident	39 Å²	39	41 Å²	41	19%	0.192	21%	0.205	C	C	.	.	H	α-helix	trans	-54.3	-43	171.8	-177.2	-179	-74	0	0	111.3	R873 E874 M875 L889	M871-R873 PolarHBondContact O-N 2.94Å; M871-E874 PolarHBondContact O-N 3.41Å; M871-M875 HydrophobicContact CG-CG 4.32Å; M871-M875 HydrophobicContact CG-SD 3.87Å; M871-M875 WeakPolarHBondContact O-CB 3.32Å; M871-M875 WeakPolarHBondContact O-CG 3.47Å; M871-M875 PolarHBondContact O-N 3.39Å; M871-L889 HydrophobicContact CG-CD1 3.87Å
872	G	90.9	Very high	87.2	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-27.3	175.5	0	0	0	0	0	114.5	T869 P870 I876	T869-G872 PolarHBondContact O-N 2.75Å; T869-G872 PolarHBondContact OG1-N 3.12Å; P870-G872 VanDerWaalsContact C-N 3.26Å; P870-G872 PolarHBondContact O-N 2.68Å; G872-I876 WeakPolarHBondContact O-CD1 3.45Å; G872-I876 WeakPolarHBondContact O-CG1 3.38Å
873	R	88.7	Confident	87.3	Confident	168 Å²	168	41.7 Å²	41.7	63%	0.634	21%	0.209	S	C	*	.	H	α-helix	trans	-76.9	-50.2	172.5	-64.6	172.7	-178.1	-159.1	-3.8	111.1	L868 T869 P870 M871 M875 I876	L868-R873 HydrophobicContact CD2-CG 3.53Å; L868-R873 HydrophobicContact CG-CG 4.01Å; T869-R873 PolarHBondContact O-N 2.97Å; T869-R873 VanDerWaalsContact O-N 3.14Å; P870-R873 WeakPolarHBondContact O-CA 3.31Å; P870-R873 WeakPolarHBondContact O-CB 3.47Å; P870-R873 PolarHBondContact O-N 3.39Å; M871-R873 PolarHBondContact O-N 2.94Å; R873-M875 PolarHBondContact O-N 3.45Å; R873-I876 WeakPolarHBondContact O-CB 3.44Å; R873-I876 PolarHBondContact O-N 3.33Å
874	E	89.7	Confident	87.7	Confident	83 Å²	83	39.6 Å²	39.6	39%	0.388	20%	0.198	S	C	.	.	H	α-helix	trans	-53.9	-36.9	177.6	-66.2	157.6	-161.4	0	0	111.5	P870 M871 I876 F878 L889	P870-E874 PolarHBondContact O-N 3.22Å; P870-E874 VanDerWaalsContact O-N 3.13Å; M871-E874 PolarHBondContact O-N 3.41Å; E874-I876 PolarHBondContact O-N 3.02Å; E874-F878 WeakPolarHBondContact O-CD2 3.49Å; E874-L889 HydrophobicContact CB-CD1 3.76Å; E874-L889 HydrophobicContact CB-CD2 4.04Å
875	M	91.1	Very high	88.2	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-64.6	-19.6	179	-71.5	166.2	77.6	0	0	115.4	L825 L859 A861 M871 R873 P882 S885 K886 L889	L825-M875 HydrophobicContact CD2-CB 4.26Å; L859-M875 HydrophobicContact CB-CE 4.35Å; A861-M875 HydrophobicContact CB-CE 4.04Å; A861-M875 HydrophobicContact CB-SD 3.68Å; M871-M875 HydrophobicContact CG-CG 4.32Å; M871-M875 HydrophobicContact CG-SD 3.87Å; M871-M875 WeakPolarHBondContact O-CB 3.32Å; M871-M875 WeakPolarHBondContact O-CG 3.47Å; M871-M875 PolarHBondContact O-N 3.39Å; R873-M875 PolarHBondContact O-N 3.45Å; M875-P882 HydrophobicContact CE-CB 3.79Å; M875-P882 WeakPolarHBondContact CE-O 3.37Å; M875-S885 PolarHBondContact O-OG 2.73Å; M875-K886 HydrophobicContact CE-CB 4.13Å; M875-L889 HydrophobicContact CG-CD1 3.54Å
876	I	88	Confident	88.9	Confident	26 Å²	26	38 Å²	38	13%	0.133	19%	0.188	C	C	.	.	H	α-helix	trans	-90.2	-29.4	-173.1	-64.8	167.2	0	0	0	112.1	L567 L825 S829 L868 G872 R873 E874 F878	L567-I876 HydrophobicContact CD1-CG2 4.12Å; L825-I876 HydrophobicContact CD1-CD1 4.12Å; L825-I876 HydrophobicContact CD1-CG1 4.29Å; L825-I876 HydrophobicContact CD2-CD1 4.4Å; L825-I876 HydrophobicContact CD2-CG1 3.71Å; L825-I876 HydrophobicContact CG-CD1 3.71Å; L825-I876 HydrophobicContact CG-CG1 3.56Å; S829-I876 VanDerWaalsContact CB-CD1 3.47Å; S829-I876 WeakPolarHBondContact OG-CD1 3.45Å; L868-I876 HydrophobicContact CD1-CD1 4.28Å; L868-I876 HydrophobicContact CD2-CD1 4.06Å; G872-I876 WeakPolarHBondContact O-CD1 3.45Å; G872-I876 WeakPolarHBondContact O-CG1 3.38Å; R873-I876 WeakPolarHBondContact O-CB 3.44Å; R873-I876 PolarHBondContact O-N 3.33Å; E874-I876 PolarHBondContact O-N 3.02Å; I876-F878 PolarHBondContact O-N 3.31Å
877	E	85.4	Confident	89.5	Confident	107 Å²	107	37.9 Å²	37.9	50%	0.5	19%	0.186	S	C	.	.	H	α-helix	trans	-59.4	-31.5	171.2	-59	-65	156.1	0	0	110.9	I980	E877-I980 HydrophobicContact CB-CG2 4.46Å
878	F	86.9	Confident	89.9	Confident	7 Å²	7	34.5 Å²	34.5	3%	0.031	17%	0.171	C	C	.	.	S	Bend	trans	-78	130.1	175.4	-67.4	-71.3	0	0	0	112	E874 I876 L880 L888 L889 L977 I980 M981 M986	E874-F878 WeakPolarHBondContact O-CD2 3.49Å; I876-F878 PolarHBondContact O-N 3.31Å; F878-L880 HydrophobicContact CB-CB 4.45Å; F878-L880 HydrophobicContact CB-CD1 4.16Å; F878-L880 HydrophobicContact CB-CG 4.25Å; F878-L880 PolarHBondContact O-N 2.61Å; F878-L888 HydrophobicContact CD1-CD1 4.27Å; F878-L888 HydrophobicContact CD1-CD2 4.4Å; F878-L888 HydrophobicContact CE1-CD1 4.19Å; F878-L888 HydrophobicContact CE1-CD2 3.83Å; F878-L888 HydrophobicContact CE2-CD2 4.08Å; F878-L888 HydrophobicContact CZ-CD2 3.68Å; F878-L889 HydrophobicContact CE2-CD2 3.99Å; F878-L977 HydrophobicContact CD1-CD2 3.96Å; F878-I980 HydrophobicContact CD1-CB 4.49Å; F878-I980 HydrophobicContact CD1-CG2 3.92Å; F878-I980 HydrophobicContact CE1-CB 3.99Å; F878-I980 HydrophobicContact CE1-CG2 3.47Å; F878-I980 VanDerWaalsContact CE1-CG2 3.47Å; F878-I980 HydrophobicContact CZ-CG2 3.83Å; F878-M981 HydrophobicContact CE1-CG 4.02Å; F878-M981 HydrophobicContact CZ-CG 4.15Å; F878-M986 HydrophobicContact CE2-CE 4Å; F878-M986 HydrophobicContact CZ-CE 3.5Å
879	P	84.5	Confident	90.1	Very high	21 Å²	21	33.5 Å²	33.5	14%	0.136	17%	0.166	C	C	.	.	S	Bend	trans	-79.1	35.9	-177	37.3	-41.1	0	0	0	112.8	R543 R564 L977 I980	R543-P879 VanDerWaalsContact CZ-O 3.26Å; R543-P879 PolarHBondContact NH1-O 3.43Å; R543-P879 PolarHBondContact NH2-O 3.23Å; R564-P879 VanDerWaalsContact NH2-CB 3.32Å; P879-L977 HydrophobicContact CG-CD2 4.1Å; P879-I980 HydrophobicContact CG-CD1 4.42Å
880	L	86.6	Confident	90.2	Very high	13 Å²	13	32.9 Å²	32.9	7%	0.068	16%	0.162	C	C	.	.	S	Bend	trans	-117.4	176.5	-164.6	-60.7	176.3	0	0	0	111.7	F878 L884 V904 L977	F878-L880 HydrophobicContact CB-CB 4.45Å; F878-L880 HydrophobicContact CB-CD1 4.16Å; F878-L880 HydrophobicContact CB-CG 4.25Å; F878-L880 PolarHBondContact O-N 2.61Å; L880-L884 HydrophobicContact CB-CB 4.1Å; L880-L884 HydrophobicContact CD1-CB 4.25Å; L880-V904 HydrophobicContact CD1-CG1 3.52Å; L880-V904 HydrophobicContact CD2-CG1 4.12Å; L880-V904 HydrophobicContact CG-CG1 4.48Å; L880-L977 HydrophobicContact CD1-CD1 4.26Å; L880-L977 HydrophobicContact CD1-CD2 3.86Å; L880-L977 HydrophobicContact CD2-CD1 4.34Å; L880-L977 HydrophobicContact CD2-CD2 4.24Å; L880-L977 HydrophobicContact CG-CD2 4.06Å
881	D	87.2	Confident	90.3	Very high	62 Å²	62	28.3 Å²	28.3	33%	0.332	13%	0.133	S	C	.	.			trans	-72.9	143.8	163.7	-178.6	-91.9	0	0	0	110	T883 L884 S885	D881-T883 PolarHBondContact O-N 2.85Å; D881-T883 VanDerWaalsContact OD1-CB 3.31Å; D881-T883 WeakPolarHBondContact OD1-CB 3.31Å; D881-T883 WeakPolarHBondContact OD1-CG2 3.46Å; D881-T883 PolarHBondContact OD1-N 3.06Å; D881-T883 PolarHBondContact OD1-OG1 2.96Å; D881-L884 HydrophobicContact CB-CD1 4.5Å; D881-L884 WeakPolarHBondContact O-CA 3.31Å; D881-L884 WeakPolarHBondContact O-CB 3.17Å; D881-L884 PolarHBondContact O-N 3.47Å; D881-S885 PolarHBondContact O-N 2.82Å; D881-S885 PolarHBondContact O-OG 3.06Å
882	P	90.7	Very high	90.4	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.013	13%	0.132	C	C	.	.	H	α-helix	trans	-50	-32.6	177.5	-31.8	38.3	0	0	0	115	L825 L856 L859 M875 S885 K886	L825-P882 HydrophobicContact CD2-CB 4.32Å; L825-P882 HydrophobicContact CD2-CG 3.84Å; L856-P882 HydrophobicContact CD2-CB 3.94Å; L856-P882 HydrophobicContact CD2-CG 3.95Å; L859-P882 HydrophobicContact CD1-CB 3.69Å; M875-P882 HydrophobicContact CE-CB 3.79Å; M875-P882 WeakPolarHBondContact CE-O 3.37Å; P882-S885 PolarHBondContact O-N 3.44Å; P882-K886 PolarHBondContact O-N 3.11Å
883	T	92	Very high	90.4	Very high	17 Å²	17	34.8 Å²	34.8	10%	0.104	17%	0.165	C	C	.	.	H	α-helix	trans	-64	-43.7	175	60.5	0	0	0	0	112.2	L859 D881 K886 M887 A1005 Y1006	L859-T883 HydrophobicContact CD1-CG2 4.08Å; L859-T883 HydrophobicContact CD2-CG2 4.29Å; D881-T883 PolarHBondContact O-N 2.85Å; D881-T883 VanDerWaalsContact OD1-CB 3.31Å; D881-T883 WeakPolarHBondContact OD1-CB 3.31Å; D881-T883 WeakPolarHBondContact OD1-CG2 3.46Å; D881-T883 PolarHBondContact OD1-N 3.06Å; D881-T883 PolarHBondContact OD1-OG1 2.96Å; T883-K886 PolarHBondContact O-N 3.38Å; T883-M887 PolarHBondContact O-N 3.41Å; T883-M887 VanDerWaalsContact O-N 3.1Å; T883-A1005 WeakPolarHBondContact O-CB 3.19Å; T883-Y1006 HydrophobicContact CG2-CE1 4.11Å; T883-Y1006 WeakPolarHBondContact OG1-CE1 3.19Å; T883-Y1006 PolarHBondContact OG1-OH 2.94Å
884	L	93	Very high	90.4	Very high	12 Å²	12	30 Å²	30	6%	0.063	15%	0.151	C	C	.	.	H	α-helix	trans	-70.7	-39.2	176.7	-69.2	172.4	0	0	0	111.8	L880 D881 M887 L888 V904 L907 Y1006	L880-L884 HydrophobicContact CB-CB 4.1Å; L880-L884 HydrophobicContact CD1-CB 4.25Å; D881-L884 HydrophobicContact CB-CD1 4.5Å; D881-L884 WeakPolarHBondContact O-CA 3.31Å; D881-L884 WeakPolarHBondContact O-CB 3.17Å; D881-L884 PolarHBondContact O-N 3.47Å; L884-M887 HydrophobicContact CD2-CE 3.91Å; L884-M887 PolarHBondContact O-N 2.98Å; L884-L888 PolarHBondContact O-N 3.22Å; L884-V904 HydrophobicContact CB-CG1 4.44Å; L884-V904 HydrophobicContact CD2-CG2 4.32Å; L884-L907 HydrophobicContact CD2-CB 4.42Å; L884-L907 HydrophobicContact CD2-CD1 3.8Å; L884-Y1006 VanDerWaalsContact CD2-OH 3.26Å; L884-Y1006 WeakPolarHBondContact CD2-OH 3.47Å; L884-Y1006 WeakPolarHBondContact CG-OH 3.35Å
885	S	92.7	Very high	90.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60	-45	173.6	-61.1	0	0	0	0	111.4	M875 D881 P882 M887 L888 L889	M875-S885 PolarHBondContact O-OG 2.73Å; D881-S885 PolarHBondContact O-N 2.82Å; D881-S885 PolarHBondContact O-OG 3.06Å; P882-S885 PolarHBondContact O-N 3.44Å; S885-M887 PolarHBondContact O-N 2.99Å; S885-L888 PolarHBondContact O-N 2.93Å; S885-L889 WeakPolarHBondContact O-CG 3.21Å; S885-L889 PolarHBondContact O-N 3.29Å
886	K	92.9	Very high	90.5	Very high	16 Å²	16	26.9 Å²	26.9	7%	0.07	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-45.2	174.8	-178.1	171.5	-171.1	148.3	0	111.7	L859 S860 M875 P882 T883 L888 L889 V890 S1004	L859-K886 VanDerWaalsContact C-NZ 3.25Å; L859-K886 HydrophobicContact CB-CD 4.21Å; L859-K886 HydrophobicContact CD2-CB 4.31Å; L859-K886 HydrophobicContact CD2-CD 3.67Å; L859-K886 WeakPolarHBondContact O-CD 3.31Å; L859-K886 PolarHBondContact O-NZ 2.74Å; S860-K886 PolarHBondContact OG-NZ 3.05Å; S860-K886 VanDerWaalsContact OG-NZ 3.14Å; M875-K886 HydrophobicContact CE-CB 4.13Å; P882-K886 PolarHBondContact O-N 3.11Å; T883-K886 PolarHBondContact O-N 3.38Å; K886-L888 VanDerWaalsContact C-N 3.28Å; K886-L888 PolarHBondContact O-N 3.29Å; K886-L889 PolarHBondContact O-N 2.81Å; K886-V890 HydrophobicContact CG-CG2 4.1Å; K886-V890 WeakPolarHBondContact O-CG2 3.48Å; K886-V890 PolarHBondContact O-N 3.43Å; K886-S1004 WeakPolarHBondContact CE-O 3.43Å
887	M	93.8	Very high	90.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.2	-42.7	179.3	-162.2	168.4	65.8	0	0	111.6	T883 L884 S885 S891 I900 I903 V904 L907 C1001 V1002 A1005 Y1006	T883-M887 PolarHBondContact O-N 3.41Å; T883-M887 VanDerWaalsContact O-N 3.1Å; L884-M887 HydrophobicContact CD2-CE 3.91Å; L884-M887 PolarHBondContact O-N 2.98Å; S885-M887 PolarHBondContact O-N 2.99Å; M887-S891 WeakPolarHBondContact O-CB 3.37Å; M887-S891 PolarHBondContact O-N 3.36Å; M887-I900 HydrophobicContact CE-CG2 4.32Å; M887-I900 HydrophobicContact CG-CD1 4.24Å; M887-I900 HydrophobicContact CG-CG2 3.94Å; M887-I900 HydrophobicContact SD-CD1 4.41Å; M887-I903 HydrophobicContact CE-CG2 4.29Å; M887-V904 HydrophobicContact CE-CG2 3.5Å; M887-L907 HydrophobicContact CE-CD1 4.24Å; M887-C1001 PolarHBondContact O-SG 3.49Å; M887-C1001 VanDerWaalsContact O-SG 3.36Å; M887-V1002 HydrophobicContact SD-CB 4.25Å; M887-V1002 HydrophobicContact SD-CG2 3.82Å; M887-A1005 HydrophobicContact CB-CB 3.61Å; M887-A1005 HydrophobicContact CG-CB 4.01Å; M887-A1005 HydrophobicContact SD-CB 4.44Å; M887-Y1006 HydrophobicContact CE-CE2 4.43Å; M887-Y1006 HydrophobicContact SD-CD2 4.22Å; M887-Y1006 HydrophobicContact SD-CE2 3.92Å
888	L	93.6	Very high	91.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.2	-47.8	177	-172.1	152.2	0	0	0	111.8	F878 L884 S885 K886 V890 S891 L901 M981 M986	F878-L888 HydrophobicContact CD1-CD1 4.27Å; F878-L888 HydrophobicContact CD1-CD2 4.4Å; F878-L888 HydrophobicContact CE1-CD1 4.19Å; F878-L888 HydrophobicContact CE1-CD2 3.83Å; F878-L888 HydrophobicContact CE2-CD2 4.08Å; F878-L888 HydrophobicContact CZ-CD2 3.68Å; L884-L888 PolarHBondContact O-N 3.22Å; S885-L888 PolarHBondContact O-N 2.93Å; K886-L888 VanDerWaalsContact C-N 3.28Å; K886-L888 PolarHBondContact O-N 3.29Å; L888-V890 PolarHBondContact O-N 3.12Å; L888-S891 WeakPolarHBondContact O-CB 3.11Å; L888-S891 PolarHBondContact O-N 2.95Å; L888-S891 PolarHBondContact O-OG 3.1Å; L888-L901 HydrophobicContact CD1-CD1 4.15Å; L888-M981 HydrophobicContact CD1-SD 4.11Å; L888-M981 HydrophobicContact CD2-CE 4.04Å; L888-M981 HydrophobicContact CD2-CG 3.94Å; L888-M981 HydrophobicContact CD2-SD 3.92Å; L888-M981 HydrophobicContact CG-CE 4.48Å; L888-M981 HydrophobicContact CG-SD 4.14Å; L888-M986 HydrophobicContact CD2-CE 3.75Å
889	L	93.2	Very high	91.5	Very high	7 Å²	7	23.3 Å²	23.3	4%	0.037	12%	0.124	C	C	.	.	H	α-helix	trans	-62.8	-42.5	179	-65.9	176.3	0	0	0	112.9	M871 E874 M875 F878 S885 K886 S891 C892 M986	M871-L889 HydrophobicContact CG-CD1 3.87Å; E874-L889 HydrophobicContact CB-CD1 3.76Å; E874-L889 HydrophobicContact CB-CD2 4.04Å; M875-L889 HydrophobicContact CG-CD1 3.54Å; F878-L889 HydrophobicContact CE2-CD2 3.99Å; S885-L889 WeakPolarHBondContact O-CG 3.21Å; S885-L889 PolarHBondContact O-N 3.29Å; K886-L889 PolarHBondContact O-N 2.81Å; L889-S891 VanDerWaalsContact C-N 3.29Å; L889-S891 PolarHBondContact O-N 3.36Å; L889-C892 PolarHBondContact O-N 2.88Å; L889-M986 HydrophobicContact CD2-CE 3.94Å; L889-M986 HydrophobicContact CD2-SD 3.56Å; L889-M986 VanDerWaalsContact CD2-SD 3.56Å
890	V	92.4	Very high	92	Very high	13 Å²	13	22.3 Å²	22.3	8%	0.079	12%	0.118	C	C	.	.	H	α-helix	trans	-70.1	-27.1	177.2	179.7	0	0	0	0	111.5	K886 L888 C892 Q893 M894 S1004	K886-V890 HydrophobicContact CG-CG2 4.1Å; K886-V890 WeakPolarHBondContact O-CG2 3.48Å; K886-V890 PolarHBondContact O-N 3.43Å; L888-V890 PolarHBondContact O-N 3.12Å; V890-C892 VanDerWaalsContact C-N 3.26Å; V890-C892 PolarHBondContact O-N 3.43Å; V890-Q893 PolarHBondContact O-N 2.83Å; V890-Q893 VanDerWaalsContact O-N 3.15Å; V890-M894 HydrophobicContact CG1-CG 4.01Å; V890-M894 WeakPolarHBondContact O-CB 3.4Å; V890-M894 WeakPolarHBondContact O-CG 3.45Å; V890-M894 PolarHBondContact O-N 3.49Å; V890-S1004 WeakPolarHBondContact CG1-OG 3.39Å
891	S	93.4	Very high	92.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.2	-29.7	176.8	77.7	0	0	0	0	113.9	M887 L888 L889 G895 C896 S897 I900	M887-S891 WeakPolarHBondContact O-CB 3.37Å; M887-S891 PolarHBondContact O-N 3.36Å; L888-S891 WeakPolarHBondContact O-CB 3.11Å; L888-S891 PolarHBondContact O-N 2.95Å; L888-S891 PolarHBondContact O-OG 3.1Å; L889-S891 VanDerWaalsContact C-N 3.29Å; L889-S891 PolarHBondContact O-N 3.36Å; S891-G895 PolarHBondContact O-N 2.65Å; S891-C896 PolarHBondContact O-N 3.47Å; S891-S897 PolarHBondContact O-N 3.29Å; S891-S897 WeakPolarHBondContact OG-CA 3.47Å; S891-I900 VanDerWaalsContact CB-CB 3.49Å
892	C	92	Very high	92.7	Very high	27 Å²	27	19 Å²	19	18%	0.182	10%	0.1	C	C	.	.	H	α-helix	trans	-65.5	-46.4	172.2	-54.6	0	0	0	0	110.5	L889 V890 M894 G895	L889-C892 PolarHBondContact O-N 2.88Å; V890-C892 VanDerWaalsContact C-N 3.26Å; V890-C892 PolarHBondContact O-N 3.43Å; C892-M894 VanDerWaalsContact C-N 3.3Å; C892-M894 PolarHBondContact O-N 2.96Å; C892-G895 PolarHBondContact O-N 3.04Å
893	Q	90.5	Very high	92.9	Very high	147 Å²	147	18.9 Å²	18.9	69%	0.687	10%	0.1	S	C	*	.	H	α-helix	trans	-65.1	-33.1	178	-59.2	178.1	-3.2	0	0	112.6	V890	V890-Q893 PolarHBondContact O-N 2.83Å; V890-Q893 VanDerWaalsContact O-N 3.15Å
894	M	89.6	Confident	93	Very high	68 Å²	68	18.1 Å²	18.1	34%	0.335	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-3.2	177.5	-70	-74.4	-170.7	0	0	113.9	V890 C892 C896 V997 L1073	V890-M894 HydrophobicContact CG1-CG 4.01Å; V890-M894 WeakPolarHBondContact O-CB 3.4Å; V890-M894 WeakPolarHBondContact O-CG 3.45Å; V890-M894 PolarHBondContact O-N 3.49Å; C892-M894 VanDerWaalsContact C-N 3.3Å; C892-M894 PolarHBondContact O-N 2.96Å; M894-C896 VanDerWaalsContact C-N 3.31Å; M894-C896 PolarHBondContact O-N 3.49Å; M894-V997 HydrophobicContact CB-CG1 4.04Å; M894-V997 VanDerWaalsContact O-CG1 3.24Å; M894-V997 WeakPolarHBondContact O-CG1 3.41Å; M894-L1073 HydrophobicContact CE-CD2 4.08Å
895	G	89.6	Confident	93	Very high	19 Å²	19	17.5 Å²	17.5	20%	0.196	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	21	-179.4	0	0	0	0	0	116.1	S891 C892 S990 C991	S891-G895 PolarHBondContact O-N 2.65Å; C892-G895 PolarHBondContact O-N 3.04Å; G895-S990 CarbonylContact O-C 3.58Å; G895-S990 VanDerWaalsContact O-C 3.27Å; G895-C991 PolarHBondContact O-N 3.04Å
896	C	92.5	Very high	93	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.092	C	C	.	.			trans	-118.2	27.8	-176.9	59.5	0	0	0	0	113.2	S891 M894 E899 I900 C991 V997 V998	S891-C896 PolarHBondContact O-N 3.47Å; M894-C896 VanDerWaalsContact C-N 3.31Å; M894-C896 PolarHBondContact O-N 3.49Å; C896-E899 VanDerWaalsContact C-OE2 3.3Å; C896-E899 WeakPolarHBondContact CA-OE2 3.48Å; C896-E899 PolarHBondContact O-N 2.95Å; C896-I900 WeakPolarHBondContact O-CG1 3.08Å; C896-I900 PolarHBondContact O-N 3.22Å; C896-C991 HydrophobicContact CB-CB 3.81Å; C896-V997 HydrophobicContact CB-CG1 3.92Å; C896-V998 HydrophobicContact CB-CG2 4.26Å
897	S	93.1	Very high	92.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-69.6	-33.1	-170.5	69.6	0	0	0	0	114.3	S891 E899 L901 I988 L989	S891-S897 PolarHBondContact O-N 3.29Å; S891-S897 WeakPolarHBondContact OG-CA 3.47Å; S897-E899 VanDerWaalsContact C-N 3.31Å; S897-E899 PolarHBondContact O-N 3.39Å; S897-L901 WeakPolarHBondContact O-CB 3.29Å; S897-L901 PolarHBondContact O-N 3.16Å; S897-I988 VanDerWaalsContact OG-CA 3.32Å; S897-I988 WeakPolarHBondContact OG-CA 3.4Å; S897-L989 PolarHBondContact N-O 3.48Å; S897-L989 PolarHBondContact OG-N 3.49Å; S897-L989 PolarHBondContact OG-O 3.01Å
898	E	93.3	Very high	92.6	Very high	51 Å²	51	19.5 Å²	19.5	24%	0.238	11%	0.105	C	C	.	.	H	α-helix	trans	-62.7	-43.3	177.1	-168	-172.3	161.6	0	0	110.5	T902 R948 R974 L989	E898-T902 PolarHBondContact O-N 3.45Å; E898-T902 PolarHBondContact O-OG1 3.39Å; E898-R948 IonicContact OE1-CZ 2.89Å; E898-R948 IonicContact OE1-NH1 3.13Å; E898-R948 PolarHBondContact OE1-NH1 2.81Å; E898-R948 IonicContact OE1-NH2 3.95Å; E898-R948 PolarHBondContact OE1-NH2 3.14Å; E898-R974 PolarHBondContact O-NH1 2.95Å; E898-R974 PolarHBondContact O-NH2 3.03Å; E898-R974 IonicContact OE1-NH2 3.25Å; E898-R974 PolarHBondContact OE1-NH2 2.93Å; E898-L989 PolarHBondContact N-O 2.97Å
899	E	94	Very high	92.2	Very high	14 Å²	14	20.1 Å²	20.1	7%	0.065	11%	0.109	C	C	.	.	H	α-helix	trans	-66.6	-52.8	178.7	-64.3	71.9	-145.3	0	0	110.9	C896 S897 L901 T902 I903 L941 S990 C991 V998	C896-E899 VanDerWaalsContact C-OE2 3.3Å; C896-E899 WeakPolarHBondContact CA-OE2 3.48Å; C896-E899 PolarHBondContact O-N 2.95Å; S897-E899 VanDerWaalsContact C-N 3.31Å; S897-E899 PolarHBondContact O-N 3.39Å; E899-L901 PolarHBondContact O-N 3.25Å; E899-T902 WeakPolarHBondContact O-CA 3.47Å; E899-T902 VanDerWaalsContact O-CB 3.23Å; E899-T902 WeakPolarHBondContact O-CB 3.29Å; E899-T902 PolarHBondContact O-N 2.72Å; E899-I903 WeakPolarHBondContact O-CG1 3.46Å; E899-I903 PolarHBondContact O-N 2.63Å; E899-L941 HydrophobicContact CB-CD1 4.4Å; E899-L941 HydrophobicContact CB-CD2 3.81Å; E899-L941 HydrophobicContact CG-CD2 3.86Å; E899-S990 VanDerWaalsContact OE1-CB 3.3Å; E899-S990 WeakPolarHBondContact OE1-CB 3.48Å; E899-S990 PolarHBondContact OE1-OG 2.87Å; E899-S990 WeakPolarHBondContact OE2-CA 3.5Å; E899-C991 PolarHBondContact OE2-N 3.11Å; E899-C991 VanDerWaalsContact OE2-N 3.12Å; E899-C991 PolarHBondContact OE2-SG 3.45Å; E899-V998 HydrophobicContact CB-CG2 4.05Å; E899-V998 HydrophobicContact CG-CG2 4.25Å
900	I	95.2	Very high	91.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.1	-40.3	-177.8	-68	-72.6	0	0	0	111.6	M887 S891 C896 T902 I903 V904 V998 C1001 V1002	M887-I900 HydrophobicContact CE-CG2 4.32Å; M887-I900 HydrophobicContact CG-CD1 4.24Å; M887-I900 HydrophobicContact CG-CG2 3.94Å; M887-I900 HydrophobicContact SD-CD1 4.41Å; S891-I900 VanDerWaalsContact CB-CB 3.49Å; C896-I900 WeakPolarHBondContact O-CG1 3.08Å; C896-I900 PolarHBondContact O-N 3.22Å; I900-T902 PolarHBondContact O-N 3.18Å; I900-I903 HydrophobicContact CD1-CD1 4.34Å; I900-I903 PolarHBondContact O-N 3.47Å; I900-V904 HydrophobicContact CG2-CG2 4Å; I900-V904 WeakPolarHBondContact O-CB 3.47Å; I900-V904 WeakPolarHBondContact O-CG2 3.24Å; I900-V904 PolarHBondContact O-N 3.01Å; I900-V998 HydrophobicContact CD1-CG1 3.75Å; I900-V998 HydrophobicContact CG1-CG1 4.35Å; I900-C1001 HydrophobicContact CD1-CB 3.96Å; I900-C1001 HydrophobicContact CG1-CB 4.21Å; I900-V1002 HydrophobicContact CD1-CG2 4.12Å
901	L	94.7	Very high	90.7	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-57.9	-31.6	172.3	177.5	64.3	0	0	0	111.9	L888 S897 E899 S905 R974 L977 K978 M981	L888-L901 HydrophobicContact CD1-CD1 4.15Å; S897-L901 WeakPolarHBondContact O-CB 3.29Å; S897-L901 PolarHBondContact O-N 3.16Å; E899-L901 PolarHBondContact O-N 3.25Å; L901-S905 WeakPolarHBondContact O-CB 3.39Å; L901-S905 PolarHBondContact O-N 3.19Å; L901-S905 PolarHBondContact O-OG 3.48Å; L901-R974 HydrophobicContact CD2-CG 4.46Å; L901-R974 HydrophobicContact CG-CG 4.27Å; L901-L977 HydrophobicContact CD1-CB 3.41Å; L901-L977 VanDerWaalsContact CD1-CB 3.41Å; L901-L977 HydrophobicContact CD1-CD1 4.18Å; L901-L977 HydrophobicContact CD1-CG 4.46Å; L901-K978 HydrophobicContact CD2-CB 4.12Å; L901-K978 HydrophobicContact CD2-CG 4.33Å; L901-M981 HydrophobicContact CD1-SD 3.89Å; L901-M981 HydrophobicContact CD2-SD 4.03Å; L901-M981 HydrophobicContact CG-SD 4.37Å
902	T	94.5	Very high	90.2	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	17%	0.166	C	C	.	.	H	α-helix	trans	-71.4	-47.2	173.2	-50.4	0	0	0	0	110.7	E898 E899 I900 S905 M906 L941 Y944 R974	E898-T902 PolarHBondContact O-N 3.45Å; E898-T902 PolarHBondContact O-OG1 3.39Å; E899-T902 WeakPolarHBondContact O-CA 3.47Å; E899-T902 VanDerWaalsContact O-CB 3.23Å; E899-T902 WeakPolarHBondContact O-CB 3.29Å; E899-T902 PolarHBondContact O-N 2.72Å; I900-T902 PolarHBondContact O-N 3.18Å; T902-S905 WeakPolarHBondContact O-CB 3.08Å; T902-S905 PolarHBondContact O-N 3.02Å; T902-M906 WeakPolarHBondContact O-CG 3.37Å; T902-M906 PolarHBondContact O-N 3.31Å; T902-L941 HydrophobicContact CG2-CD1 3.87Å; T902-Y944 HydrophobicContact CG2-CD1 3.45Å; T902-Y944 VanDerWaalsContact CG2-CD1 3.45Å; T902-Y944 HydrophobicContact CG2-CD2 4.14Å; T902-Y944 HydrophobicContact CG2-CE1 4.2Å; T902-Y944 HydrophobicContact CG2-CG 3.43Å; T902-Y944 VanDerWaalsContact CG2-CG 3.43Å; T902-R974 VanDerWaalsContact N-NH1 3.1Å; T902-R974 PolarHBondContact OG1-NH1 3.4Å
903	I	94.6	Very high	89.9	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63	-47.3	-178.3	-67.3	166.8	0	0	0	111.1	M887 E899 I900 S905 M906 L907 H937 L941 V998	M887-I903 HydrophobicContact CE-CG2 4.29Å; E899-I903 WeakPolarHBondContact O-CG1 3.46Å; E899-I903 PolarHBondContact O-N 2.63Å; I900-I903 HydrophobicContact CD1-CD1 4.34Å; I900-I903 PolarHBondContact O-N 3.47Å; I903-S905 VanDerWaalsContact C-N 3.27Å; I903-S905 PolarHBondContact O-N 3.03Å; I903-M906 PolarHBondContact O-N 3.3Å; I903-M906 VanDerWaalsContact O-N 3.15Å; I903-L907 HydrophobicContact CG2-CD1 4.01Å; I903-L907 HydrophobicContact CG2-CG 4.38Å; I903-L907 WeakPolarHBondContact O-CG 3.41Å; I903-L907 PolarHBondContact O-N 2.95Å; I903-H937 HydrophobicContact CD1-CB 4.48Å; I903-H937 HydrophobicContact CG2-CB 4.21Å; I903-L941 HydrophobicContact CD1-CB 4.35Å; I903-L941 HydrophobicContact CD1-CD2 4.34Å; I903-L941 HydrophobicContact CG1-CB 4.09Å; I903-V998 HydrophobicContact CD1-CG1 3.58Å
904	V	94.4	Very high	89.2	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-56.1	-41.9	173.8	171.4	0	0	0	0	111.3	L880 L884 M887 I900 L907 S908 L977	L880-V904 HydrophobicContact CD1-CG1 3.52Å; L880-V904 HydrophobicContact CD2-CG1 4.12Å; L880-V904 HydrophobicContact CG-CG1 4.48Å; L884-V904 HydrophobicContact CB-CG1 4.44Å; L884-V904 HydrophobicContact CD2-CG2 4.32Å; M887-V904 HydrophobicContact CE-CG2 3.5Å; I900-V904 HydrophobicContact CG2-CG2 4Å; I900-V904 WeakPolarHBondContact O-CB 3.47Å; I900-V904 WeakPolarHBondContact O-CG2 3.24Å; I900-V904 PolarHBondContact O-N 3.01Å; V904-L907 PolarHBondContact O-N 2.94Å; V904-S908 WeakPolarHBondContact O-CB 3.39Å; V904-S908 PolarHBondContact O-N 2.96Å; V904-S908 PolarHBondContact O-OG 3.45Å; V904-L977 HydrophobicContact CG1-CD1 3.8Å
905	S	93.3	Very high	88.7	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.6	-35.9	178.8	-57.8	0	0	0	0	112.6	L901 T902 I903 R974	L901-S905 WeakPolarHBondContact O-CB 3.39Å; L901-S905 PolarHBondContact O-N 3.19Å; L901-S905 PolarHBondContact O-OG 3.48Å; T902-S905 WeakPolarHBondContact O-CB 3.08Å; T902-S905 PolarHBondContact O-N 3.02Å; I903-S905 VanDerWaalsContact C-N 3.27Å; I903-S905 PolarHBondContact O-N 3.03Å; S905-R974 VanDerWaalsContact OG-CA 3.25Å; S905-R974 WeakPolarHBondContact OG-CA 3.46Å; S905-R974 WeakPolarHBondContact OG-CB 3.35Å; S905-R974 PolarHBondContact OG-N 2.73Å
906	M	92	Very high	87.7	Confident	3 Å²	3	29.2 Å²	29.2	2%	0.015	16%	0.156	C	C	.	.	H	α-helix	trans	-69.6	-43.8	174.4	-68.6	-77.2	-71.9	0	0	111.9	T902 I903 S908 V909 V912 F940 V943 Y944 M967 V970	T902-M906 WeakPolarHBondContact O-CG 3.37Å; T902-M906 PolarHBondContact O-N 3.31Å; I903-M906 PolarHBondContact O-N 3.3Å; I903-M906 VanDerWaalsContact O-N 3.15Å; M906-S908 VanDerWaalsContact C-N 3.27Å; M906-S908 PolarHBondContact O-N 3.24Å; M906-V909 PolarHBondContact O-N 3.03Å; M906-V912 HydrophobicContact CE-CB 4.26Å; M906-V912 HydrophobicContact CE-CG1 4.05Å; M906-V912 HydrophobicContact CE-CG2 3.9Å; M906-V912 HydrophobicContact SD-CG2 4.31Å; M906-F940 HydrophobicContact CB-CB 3.94Å; M906-F940 HydrophobicContact CB-CG 4.26Å; M906-F940 HydrophobicContact CE-CB 3.69Å; M906-F940 HydrophobicContact CE-CD1 3.65Å; M906-F940 HydrophobicContact CE-CG 4.04Å; M906-F940 WeakPolarHBondContact CE-O 3.26Å; M906-F940 HydrophobicContact CG-CB 4.07Å; M906-V943 HydrophobicContact CE-CB 4.41Å; M906-V943 HydrophobicContact CE-CG1 4.24Å; M906-Y944 HydrophobicContact SD-CD2 4.38Å; M906-M967 HydrophobicContact CE-SD 4.21Å; M906-M967 HydrophobicContact SD-CE 4.17Å; M906-M967 HydrophobicContact SD-SD 4.03Å; M906-V970 HydrophobicContact CG-CG1 3.96Å; M906-V970 HydrophobicContact SD-CB 4.26Å; M906-V970 HydrophobicContact SD-CG1 3.67Å; M906-V970 HydrophobicContact SD-CG2 3.79Å
907	L	91.7	Very high	86.5	Confident	24 Å²	24	34.5 Å²	34.5	13%	0.126	18%	0.179	C	C	.	.	H	α-helix	trans	-64.7	-29.2	176.3	-68	173.2	0	0	0	112.6	L884 M887 I903 V904 V909 F940 C1061	L884-L907 HydrophobicContact CD2-CB 4.42Å; L884-L907 HydrophobicContact CD2-CD1 3.8Å; M887-L907 HydrophobicContact CE-CD1 4.24Å; I903-L907 HydrophobicContact CG2-CD1 4.01Å; I903-L907 HydrophobicContact CG2-CG 4.38Å; I903-L907 WeakPolarHBondContact O-CG 3.41Å; I903-L907 PolarHBondContact O-N 2.95Å; V904-L907 PolarHBondContact O-N 2.94Å; L907-V909 PolarHBondContact O-N 3.47Å; L907-V909 VanDerWaalsContact O-N 3.13Å; L907-F940 HydrophobicContact CD2-CD2 4.46Å; L907-F940 HydrophobicContact CD2-CE2 4.17Å; L907-C1061 HydrophobicContact CD2-CB 4.18Å
908	S	86.9	Confident	85.4	Confident	31 Å²	31	37.4 Å²	37.4	22%	0.217	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	8.5	178.1	-60.3	0	0	0	0	114.6	V904 M906 K969	V904-S908 WeakPolarHBondContact O-CB 3.39Å; V904-S908 PolarHBondContact O-N 2.96Å; V904-S908 PolarHBondContact O-OG 3.45Å; M906-S908 VanDerWaalsContact C-N 3.27Å; M906-S908 PolarHBondContact O-N 3.24Å; S908-K969 PolarHBondContact O-NZ 3.2Å
909	V	84.4	Confident	84.6	Confident	13 Å²	13	39.8 Å²	39.8	8%	0.079	22%	0.216	C	C	.	.	S	Bend	trans	-132.4	140.2	-176.4	-179	0	0	0	0	109.6	M906 L907 A966 K969 V970 I973	M906-V909 PolarHBondContact O-N 3.03Å; L907-V909 PolarHBondContact O-N 3.47Å; L907-V909 VanDerWaalsContact O-N 3.13Å; V909-A966 HydrophobicContact CG1-CB 3.69Å; V909-K969 HydrophobicContact CG1-CD 4.37Å; V909-K969 HydrophobicContact CG2-CB 4.36Å; V909-K969 HydrophobicContact CG2-CD 4.06Å; V909-K969 HydrophobicContact CG2-CG 4.11Å; V909-V970 HydrophobicContact CB-CG2 3.99Å; V909-V970 HydrophobicContact CG1-CG2 4.32Å; V909-V970 HydrophobicContact CG2-CG2 3.67Å; V909-I973 HydrophobicContact CG2-CD1 3.69Å
910	P	75.6	Confident	83.6	Confident	91 Å²	91	41.2 Å²	41.2	59%	0.591	22%	0.223	S	C	*	.	S	Bend	trans	-54	156.6	173.6	-27	35.8	0	0	0	113.1	V912	P910-V912 PolarHBondContact O-N 3.28Å
911	S	78.5	Confident	82.9	Confident	102 Å²	102	46.6 Å²	46.6	71%	0.713	25%	0.248	S	C	*	.			trans	-36.2	108	-171.3	58	0	0	0	0	114.3	F913	S911-F913 VanDerWaalsContact C-N 3.31Å; S911-F913 PolarHBondContact O-N 2.91Å
912	V	84	Confident	82.2	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.012	26%	0.262	C	S	.	.	S	Bend	trans	-63.7	-34.6	-175.3	168.2	0	0	0	0	112.9	M906 P910 V943 I962 H963 A966 M967	M906-V912 HydrophobicContact CE-CB 4.26Å; M906-V912 HydrophobicContact CE-CG1 4.05Å; M906-V912 HydrophobicContact CE-CG2 3.9Å; M906-V912 HydrophobicContact SD-CG2 4.31Å; P910-V912 PolarHBondContact O-N 3.28Å; V912-V943 HydrophobicContact CG1-CG1 4.48Å; V912-I962 HydrophobicContact CG1-CG2 3.77Å; V912-H963 PolarHBondContact O-N 3.42Å; V912-A966 HydrophobicContact CG2-CB 4.47Å; V912-M967 HydrophobicContact CG1-CG 4.19Å; V912-M967 HydrophobicContact CG1-SD 3.37Å; V912-M967 WeakPolarHBondContact CG1-SD 3.2Å; V912-M967 HydrophobicContact CG2-SD 4.32Å
913	F	84.9	Confident	81.6	Confident	39 Å²	39	49.7 Å²	49.7	17%	0.171	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-79.5	128.5	172.9	-54.2	-72.6	0	0	0	110.1	S911 R927 T939 F940 V943 I962	S911-F913 VanDerWaalsContact C-N 3.31Å; S911-F913 PolarHBondContact O-N 2.91Å; F913-R927 HydrophobicContact CD1-CG 4.04Å; F913-R927 HydrophobicContact CE1-CG 3.85Å; F913-R927 HydrophobicContact CE2-CG 4.35Å; F913-R927 HydrophobicContact CG-CG 4.37Å; F913-R927 HydrophobicContact CZ-CG 4Å; F913-T939 HydrophobicContact CZ-CG2 4.1Å; F913-F940 HydrophobicContact CD2-CE1 4.3Å; F913-F940 HydrophobicContact CE2-CD1 4.17Å; F913-F940 AromaticContact CE2-CE1 3.81Å; F913-F940 HydrophobicContact CE2-CE1 3.81Å; F913-V943 HydrophobicContact CE1-CG2 3.75Å; F913-V943 HydrophobicContact CZ-CG2 3.71Å; F913-I962 HydrophobicContact CD1-CG1 4.3Å
914	Y	77.3	Confident	81	Confident	87 Å²	87	51.7 Å²	51.7	34%	0.341	27%	0.274	S	S	.	.			trans	-103.5	138.9	166.8	72.6	-85.1	0	0	0	110.1	P916 S958 F961 H963	Y914-P916 HydrophobicContact CD2-CB 4.12Å; Y914-P916 HydrophobicContact CD2-CG 4.04Å; Y914-P916 HydrophobicContact CE2-CB 4.13Å; Y914-P916 HydrophobicContact CE2-CG 3.89Å; Y914-P916 WeakPolarHBondContact O-CD 3.42Å; Y914-S958 PolarHBondContact OH-O 3.49Å; Y914-F961 HydrophobicContact CD1-CB 4.5Å; Y914-F961 VanDerWaalsContact CD1-O 3.23Å; Y914-F961 WeakPolarHBondContact CD1-O 3.24Å; Y914-F961 VanDerWaalsContact CE1-CA 3.44Å; Y914-F961 HydrophobicContact CE1-CB 4.23Å; Y914-F961 AromaticContact CE2-CD1 3.91Å; Y914-F961 HydrophobicContact CE2-CD1 3.91Å; Y914-F961 AromaticContact CZ-CD1 3.94Å; Y914-F961 PolarHBondContact N-O 3.37Å; Y914-H963 HydrophobicContact CD1-CB 4.32Å
915	R	77.4	Confident	80.6	Confident	112 Å²	112	56.3 Å²	56.3	42%	0.423	30%	0.298	S	S	.	.			trans	-111.7	90.9	174.9	-68.1	171.4	86.5	-125.7	7.3	107.1	K917 D924	R915-K917 PolarHBondContact O-N 3.49Å; R915-D924 IonicContact CZ-OD1 2.7Å; R915-D924 IonicContact CZ-OD2 2.72Å; R915-D924 IonicContact NE-OD1 2.72Å; R915-D924 PolarHBondContact NE-OD1 3.31Å; R915-D924 IonicContact NE-OD2 3.53Å; R915-D924 IonicContact NH2-OD1 3.49Å; R915-D924 PolarHBondContact NH2-OD1 3.36Å; R915-D924 IonicContact NH2-OD2 2.73Å; R915-D924 PolarHBondContact NH2-OD2 3.43Å
916	P	69.8	Low	80.2	Confident	38 Å²	38	59.2 Å²	59.2	25%	0.247	31%	0.31	C	S	.	.			trans	-68.9	130.6	-175.9	27.8	-32.7	0	0	0	110	Y914 G918 R919 E920 F961	Y914-P916 HydrophobicContact CD2-CB 4.12Å; Y914-P916 HydrophobicContact CD2-CG 4.04Å; Y914-P916 HydrophobicContact CE2-CB 4.13Å; Y914-P916 HydrophobicContact CE2-CG 3.89Å; Y914-P916 WeakPolarHBondContact O-CD 3.42Å; P916-G918 PolarHBondContact O-N 3Å; P916-R919 HydrophobicContact CG-CB 4.15Å; P916-R919 PolarHBondContact O-N 3.04Å; P916-E920 WeakPolarHBondContact O-CG 3.48Å; P916-E920 PolarHBondContact O-N 2.89Å; P916-F961 HydrophobicContact CG-CD1 3.76Å; P916-F961 HydrophobicContact CG-CE1 3.78Å
917	K	66.1	Low	79.8	Confident	111 Å²	111	60.1 Å²	60.1	48%	0.483	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	123.9	177.3	-64.3	-179.3	176.7	-174.9	0	109.2	E389 E683 R915	E389-K917 WeakPolarHBondContact OE1-CD 3.48Å; E389-K917 IonicContact OE1-NZ 3.07Å; E389-K917 PolarHBondContact OE1-NZ 3.03Å; E389-K917 VanDerWaalsContact OE1-NZ 3.13Å; E683-K917 IonicContact OE2-NZ 3.99Å; E683-K917 PolarHBondContact OE2-NZ 2.76Å; R915-K917 PolarHBondContact O-N 3.49Å
918	G	70.6	Confident	79.5	Confident	62 Å²	62	62.1 Å²	62.1	64%	0.639	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.8	-17.6	-178.1	0	0	0	0	0	116.9	P916	P916-G918 PolarHBondContact O-N 3Å
919	R	76.3	Confident	79.4	Confident	100 Å²	100	66.6 Å²	66.6	38%	0.377	34%	0.338	S	S	.	.			trans	-120.3	25.9	169.6	-62.5	-174	-173.5	159.9	1.7	112.9	P916 E921 E922 G923 F961	P916-R919 HydrophobicContact CG-CB 4.15Å; P916-R919 PolarHBondContact O-N 3.04Å; R919-E921 VanDerWaalsContact C-N 3.28Å; R919-E921 PolarHBondContact O-N 3.4Å; R919-E922 PolarHBondContact O-N 3.41Å; R919-G923 PolarHBondContact O-N 2.77Å; R919-F961 HydrophobicContact CB-CE1 4.39Å; R919-F961 HydrophobicContact CB-CZ 4.36Å
920	E	73.7	Confident	79.4	Confident	45 Å²	45	66.5 Å²	66.5	21%	0.21	34%	0.336	C	S	.	.	H	α-helix	trans	-57.3	-38.2	-175.1	-61.2	174.9	-143.5	0	0	112.9	R393 P916 G923 D924	R393-E920 IonicContact NE-OE1 3.63Å; R393-E920 PolarHBondContact NE-OE1 2.88Å; P916-E920 WeakPolarHBondContact O-CG 3.48Å; P916-E920 PolarHBondContact O-N 2.89Å; E920-G923 PolarHBondContact O-N 2.78Å; E920-D924 PolarHBondContact O-N 2.99Å
921	E	79.2	Confident	79.8	Confident	112 Å²	112	64.4 Å²	64.4	52%	0.523	32%	0.319	S	S	.	.	H	α-helix	trans	-71.9	-36.4	-180	-62.1	-175.2	-167.6	0	0	112.4	K397 R919 G923 D924 I925	K397-E921 WeakPolarHBondContact CE-OE1 3.2Å; K397-E921 IonicContact NZ-OE1 3.11Å; K397-E921 PolarHBondContact NZ-OE1 3.32Å; R919-E921 VanDerWaalsContact C-N 3.28Å; R919-E921 PolarHBondContact O-N 3.4Å; E921-G923 VanDerWaalsContact C-N 3.31Å; E921-D924 PolarHBondContact O-N 3.07Å; E921-I925 WeakPolarHBondContact O-CB 3.43Å; E921-I925 WeakPolarHBondContact O-CD1 3.41Å; E921-I925 WeakPolarHBondContact O-CG1 3.49Å; E921-I925 PolarHBondContact O-N 2.96Å
922	E	81.6	Confident	80.2	Confident	66 Å²	66	61.4 Å²	61.4	31%	0.308	30%	0.296	S	S	.	.	H	α-helix	trans	-66.1	-37.2	171.1	-59.8	-168	156.5	0	0	111.3	K414 R919 K926 F961	K414-E922 IonicContact NZ-OE1 2.61Å; K414-E922 PolarHBondContact NZ-OE1 3.34Å; R919-E922 PolarHBondContact O-N 3.41Å; E922-K926 WeakPolarHBondContact O-CG 3.46Å; E922-K926 PolarHBondContact O-N 3.1Å; E922-F961 HydrophobicContact CB-CE2 3.71Å; E922-F961 HydrophobicContact CB-CZ 3.85Å
923	G	80.4	Confident	80.1	Confident	5 Å²	5	63.4 Å²	63.4	5%	0.052	31%	0.309	C	S	.	.	H	α-helix	trans	-59.9	-48.9	172.3	0	0	0	0	0	112.7	R919 E920 E921 K926 R927 F961	R919-G923 PolarHBondContact O-N 2.77Å; E920-G923 PolarHBondContact O-N 2.78Å; E921-G923 VanDerWaalsContact C-N 3.31Å; G923-K926 PolarHBondContact O-N 3.24Å; G923-R927 WeakPolarHBondContact O-CB 3.47Å; G923-R927 PolarHBondContact O-N 3.44Å; G923-F961 VanDerWaalsContact CA-CD2 3.45Å
924	D	82.5	Confident	80.1	Confident	42 Å²	42	63.5 Å²	63.5	23%	0.225	31%	0.31	C	S	.	.	H	α-helix	trans	-65.7	-41.2	178.2	-72.2	-24.5	0	0	0	112.3	R915 E920 E921 K926 R927 E928	R915-D924 IonicContact CZ-OD1 2.7Å; R915-D924 IonicContact CZ-OD2 2.72Å; R915-D924 IonicContact NE-OD1 2.72Å; R915-D924 PolarHBondContact NE-OD1 3.31Å; R915-D924 IonicContact NE-OD2 3.53Å; R915-D924 IonicContact NH2-OD1 3.49Å; R915-D924 PolarHBondContact NH2-OD1 3.36Å; R915-D924 IonicContact NH2-OD2 2.73Å; R915-D924 PolarHBondContact NH2-OD2 3.43Å; E920-D924 PolarHBondContact O-N 2.99Å; E921-D924 PolarHBondContact O-N 3.07Å; D924-K926 VanDerWaalsContact C-N 3.33Å; D924-K926 PolarHBondContact O-N 3.22Å; D924-R927 PolarHBondContact O-N 3.17Å; D924-R927 IonicContact OD1-CZ 3.86Å; D924-R927 IonicContact OD1-NH1 3.2Å; D924-R927 PolarHBondContact OD1-NH1 3.03Å; D924-R927 IonicContact OD1-NH2 3.94Å; D924-R927 PolarHBondContact OD1-NH2 3.37Å; D924-E928 PolarHBondContact O-N 3.32Å
925	I	85.2	Confident	80.7	Confident	98 Å²	98	59.4 Å²	59.4	50%	0.503	29%	0.294	S	S	.	.	H	α-helix	trans	-63.6	-37.5	176.8	-70	164.5	0	0	0	111.5	E921	E921-I925 WeakPolarHBondContact O-CB 3.43Å; E921-I925 WeakPolarHBondContact O-CD1 3.41Å; E921-I925 WeakPolarHBondContact O-CG1 3.49Å; E921-I925 PolarHBondContact O-N 2.96Å
926	K	85.7	Confident	81.3	Confident	60 Å²	60	54.7 Å²	54.7	26%	0.261	28%	0.277	S	S	.	.	H	α-helix	trans	-76.1	-31.4	175.1	-66.4	-173.3	-157.8	175	0	112.2	E922 G923 D924 K929 F930 E959 F961	E922-K926 WeakPolarHBondContact O-CG 3.46Å; E922-K926 PolarHBondContact O-N 3.1Å; G923-K926 PolarHBondContact O-N 3.24Å; D924-K926 VanDerWaalsContact C-N 3.33Å; D924-K926 PolarHBondContact O-N 3.22Å; K926-K929 WeakPolarHBondContact O-CB 3.26Å; K926-K929 PolarHBondContact O-N 2.99Å; K926-F930 WeakPolarHBondContact O-CD2 3.45Å; K926-E959 WeakPolarHBondContact CD-O 3.4Å; K926-E959 WeakPolarHBondContact CE-O 3.43Å; K926-E959 PolarHBondContact NZ-O 3.29Å; K926-F961 HydrophobicContact CB-CD2 4.28Å; K926-F961 HydrophobicContact CD-CD2 3.79Å; K926-F961 HydrophobicContact CD-CE2 3.75Å; K926-F961 HydrophobicContact CG-CD2 4.4Å; K926-F961 HydrophobicContact CG-CE2 4.46Å
927	R	84	Confident	82.4	Confident	22 Å²	22	53 Å²	53	8%	0.083	27%	0.266	C	S	.	.	H	α-helix	trans	-64.6	-41.9	169.9	-171.6	179.1	69.2	-116.9	-8.7	111.9	F913 G923 D924 K929 F930 Q931	F913-R927 HydrophobicContact CD1-CG 4.04Å; F913-R927 HydrophobicContact CE1-CG 3.85Å; F913-R927 HydrophobicContact CE2-CG 4.35Å; F913-R927 HydrophobicContact CG-CG 4.37Å; F913-R927 HydrophobicContact CZ-CG 4Å; G923-R927 WeakPolarHBondContact O-CB 3.47Å; G923-R927 PolarHBondContact O-N 3.44Å; D924-R927 PolarHBondContact O-N 3.17Å; D924-R927 IonicContact OD1-CZ 3.86Å; D924-R927 IonicContact OD1-NH1 3.2Å; D924-R927 PolarHBondContact OD1-NH1 3.03Å; D924-R927 IonicContact OD1-NH2 3.94Å; D924-R927 PolarHBondContact OD1-NH2 3.37Å; R927-K929 PolarHBondContact O-N 3.25Å; R927-K929 VanDerWaalsContact O-N 3.14Å; R927-F930 PolarHBondContact O-N 3.33Å; R927-Q931 HydrophobicContact CG-CG 4.18Å; R927-Q931 PolarHBondContact O-N 3.16Å
928	E	84.2	Confident	83.6	Confident	66 Å²	66	48 Å²	48	31%	0.308	25%	0.245	S	C	.	.	H	α-helix	trans	-56.1	-31.3	179.3	-170.3	-174.7	-120.9	0	0	112.2	R52 R55 D924 F930 Q931	R52-E928 IonicContact NE-OE2 3.51Å; R52-E928 IonicContact NH2-OE2 3.46Å; R55-E928 IonicContact CZ-OE1 3.2Å; R55-E928 IonicContact NH1-OE1 2.76Å; R55-E928 PolarHBondContact NH1-OE1 3.43Å; D924-E928 PolarHBondContact O-N 3.32Å; E928-F930 PolarHBondContact O-N 2.98Å; E928-Q931 PolarHBondContact O-N 3.31Å
929	K	85.4	Confident	84.6	Confident	126 Å²	126	45.2 Å²	45.2	55%	0.548	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-27.2	174.3	-61.9	-174.3	178.6	-172	0	113.9	K926 R927	K926-K929 WeakPolarHBondContact O-CB 3.26Å; K926-K929 PolarHBondContact O-N 2.99Å; R927-K929 PolarHBondContact O-N 3.25Å; R927-K929 VanDerWaalsContact O-N 3.14Å
930	F	85.2	Confident	85.4	Confident	10 Å²	10	41.7 Å²	41.7	4%	0.044	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-18.6	-178.5	-57.2	-66.3	0	0	0	113.7	K926 R927 E928 V932 N942 V943 Q946 W956 H960 I962	K926-F930 WeakPolarHBondContact O-CD2 3.45Å; R927-F930 PolarHBondContact O-N 3.33Å; E928-F930 PolarHBondContact O-N 2.98Å; F930-V932 PolarHBondContact O-N 3.42Å; F930-N942 PolarHBondContact O-ND2 3.3Å; F930-V943 HydrophobicContact CB-CG2 3.71Å; F930-V943 HydrophobicContact CD1-CG2 4.14Å; F930-V943 HydrophobicContact CD2-CG2 3.99Å; F930-V943 HydrophobicContact CG-CG2 3.69Å; F930-Q946 HydrophobicContact CD1-CG 4.24Å; F930-Q946 HydrophobicContact CE1-CB 4.01Å; F930-Q946 HydrophobicContact CE1-CG 4.01Å; F930-W956 AromaticContact CE1-CH2 3.88Å; F930-W956 HydrophobicContact CE1-CH2 3.88Å; F930-W956 AromaticContact CE1-CZ2 3.68Å; F930-W956 HydrophobicContact CE1-CZ2 3.68Å; F930-W956 AromaticContact CZ-CH2 3.63Å; F930-W956 HydrophobicContact CZ-CH2 3.63Å; F930-W956 AromaticContact CZ-CZ2 3.49Å; F930-W956 HydrophobicContact CZ-CZ2 3.49Å; F930-W956 VanDerWaalsContact CZ-CZ2 3.49Å; F930-H960 HydrophobicContact CE2-CB 3.99Å; F930-H960 AromaticContact CE2-CG 3.9Å; F930-H960 AromaticContact CE2-ND1 3.32Å; F930-H960 VanDerWaalsContact CE2-ND1 3.32Å; F930-H960 WeakPolarHBondContact CE2-ND1 3.38Å; F930-H960 HydrophobicContact CZ-CB 4.12Å; F930-H960 AromaticContact CZ-CE1 3.64Å; F930-H960 AromaticContact CZ-CG 3.7Å; F930-H960 AromaticContact CZ-ND1 3.18Å; F930-H960 WeakPolarHBondContact CZ-ND1 3.36Å; F930-I962 HydrophobicContact CE2-CD1 3.99Å; F930-I962 HydrophobicContact CZ-CD1 4.27Å
931	Q	84.5	Confident	86.3	Confident	48 Å²	48	39.7 Å²	39.7	22%	0.224	19%	0.193	C	C	.	.			trans	-63.5	118.8	-173.5	-79.6	179.3	-38.2	0	0	111.8	R927 E928 P933 T939 A1035	R927-Q931 HydrophobicContact CG-CG 4.18Å; R927-Q931 PolarHBondContact O-N 3.16Å; E928-Q931 PolarHBondContact O-N 3.31Å; Q931-P933 WeakPolarHBondContact O-CD 3.28Å; Q931-T939 HydrophobicContact CG-CG2 4.13Å; Q931-A1035 HydrophobicContact CB-CB 3.97Å; Q931-A1035 HydrophobicContact CG-CB 3.9Å
932	V	86.2	Confident	86.9	Confident	38 Å²	38	36.1 Å²	36.1	23%	0.23	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-85.8	115.5	169.1	178.3	0	0	0	0	107.3	F930 E934 S935 L938 T939 N942	F930-V932 PolarHBondContact O-N 3.42Å; V932-E934 PolarHBondContact O-N 2.94Å; V932-S935 PolarHBondContact O-N 3.39Å; V932-S935 VanDerWaalsContact O-N 3.11Å; V932-L938 HydrophobicContact CB-CB 3.99Å; V932-L938 HydrophobicContact CG1-CB 3.93Å; V932-L938 HydrophobicContact CG1-CD1 4.17Å; V932-L938 HydrophobicContact CG2-CB 3.94Å; V932-T939 PolarHBondContact N-OG1 3.07Å; V932-N942 HydrophobicContact CG2-CB 4.48Å
933	P	82.7	Confident	87.4	Confident	44 Å²	44	33 Å²	33	29%	0.286	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-17.4	-173.8	-31.4	38.8	0	0	0	116.1	Q931 L1036 M1039	Q931-P933 WeakPolarHBondContact O-CD 3.28Å; P933-L1036 WeakPolarHBondContact O-CD2 3.5Å; P933-M1039 HydrophobicContact CB-CE 3.81Å; P933-M1039 HydrophobicContact CB-SD 3.73Å; P933-M1039 HydrophobicContact CG-SD 4.33Å; P933-M1039 WeakPolarHBondContact O-CE 3.44Å
934	E	84.2	Confident	88	Confident	42 Å²	42	33 Å²	33	20%	0.196	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-12.6	-174.6	-59.6	-177.9	-176.3	0	0	112.6	V932 R999 A1064	V932-E934 PolarHBondContact O-N 2.94Å; E934-R999 IonicContact OE2-CZ 3.92Å; E934-R999 IonicContact OE2-NH1 2.73Å; E934-R999 PolarHBondContact OE2-NH1 2.96Å; E934-R999 IonicContact OE2-NH2 3.17Å; E934-R999 PolarHBondContact OE2-NH2 2.83Å; E934-A1064 WeakPolarHBondContact O-CB 3.41Å; E934-A1064 PolarHBondContact O-N 3.5Å
935	S	89.5	Confident	88.5	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.007	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-167.3	149.4	169.7	60.8	0	0	0	0	116.4	V932 H937 L938 T939 V1062 T1063	V932-S935 PolarHBondContact O-N 3.39Å; V932-S935 VanDerWaalsContact O-N 3.11Å; S935-H937 VanDerWaalsContact C-N 3.32Å; S935-L938 VanDerWaalsContact OG-CB 3.23Å; S935-L938 WeakPolarHBondContact OG-CB 3.32Å; S935-L938 WeakPolarHBondContact OG-CD1 3.34Å; S935-L938 WeakPolarHBondContact OG-CG 3.47Å; S935-L938 PolarHBondContact OG-N 2.94Å; S935-L938 VanDerWaalsContact OG-N 3.08Å; S935-T939 PolarHBondContact O-N 2.85Å; S935-T939 PolarHBondContact O-OG1 3.02Å; S935-V1062 WeakPolarHBondContact CA-O 3.28Å; S935-T1063 VanDerWaalsContact CB-OG1 3.22Å; S935-T1063 WeakPolarHBondContact CB-OG1 3.26Å
936	D	90.9	Very high	88.8	Confident	12 Å²	12	32 Å²	32	6%	0.064	16%	0.155	C	C	.	.	H	α-helix	trans	-67.6	-33.2	164.4	-65.3	-36.1	0	0	0	111.9	T939 F940 S1034 A1035 C1061 V1062	D936-T939 WeakPolarHBondContact O-CA 3.45Å; D936-T939 VanDerWaalsContact O-CB 3.26Å; D936-T939 WeakPolarHBondContact O-CB 3.44Å; D936-T939 PolarHBondContact O-N 3.33Å; D936-T939 VanDerWaalsContact O-N 3.12Å; D936-F940 VanDerWaalsContact O-CD2 3.3Å; D936-F940 WeakPolarHBondContact O-CD2 3.34Å; D936-F940 PolarHBondContact O-N 2.84Å; D936-S1034 VanDerWaalsContact CG-OG 3.31Å; D936-S1034 WeakPolarHBondContact OD1-CA 3.49Å; D936-S1034 PolarHBondContact OD1-OG 3.49Å; D936-S1034 VanDerWaalsContact OD2-CB 3.26Å; D936-S1034 WeakPolarHBondContact OD2-CB 3.28Å; D936-S1034 PolarHBondContact OD2-OG 2.87Å; D936-A1035 WeakPolarHBondContact OD1-CB 3.49Å; D936-A1035 PolarHBondContact OD1-N 3.01Å; D936-C1061 HydrophobicContact CB-CB 4.45Å; D936-C1061 WeakPolarHBondContact OD2-CA 3.37Å; D936-V1062 PolarHBondContact N-O 2.96Å; D936-V1062 PolarHBondContact OD2-N 3.27Å
937	H	92.1	Very high	89.1	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.009	14%	0.143	C	C	.	.	H	α-helix	trans	-60.9	-46.7	178.8	-67.1	93.3	0	0	0	112.2	I903 S935 T939 F940 L941 V1002 C1061 T1063	I903-H937 HydrophobicContact CD1-CB 4.48Å; I903-H937 HydrophobicContact CG2-CB 4.21Å; S935-H937 VanDerWaalsContact C-N 3.32Å; H937-T939 VanDerWaalsContact C-N 3.32Å; H937-F940 PolarHBondContact O-N 3.36Å; H937-L941 PolarHBondContact O-N 2.78Å; H937-V1002 HydrophobicContact CB-CG2 4.45Å; H937-C1061 PolarHBondContact CE1-O 2.62Å; H937-T1063 PolarHBondContact ND1-OG1 3.06Å
938	L	92.2	Very high	89.5	Confident	7 Å²	7	32.7 Å²	32.7	4%	0.037	16%	0.156	C	C	.	.	H	α-helix	trans	-72.9	-25.3	173.7	-63	173	0	0	0	112.5	V932 S935 L941 N942 W995 V998 R999	V932-L938 HydrophobicContact CB-CB 3.99Å; V932-L938 HydrophobicContact CG1-CB 3.93Å; V932-L938 HydrophobicContact CG1-CD1 4.17Å; V932-L938 HydrophobicContact CG2-CB 3.94Å; S935-L938 VanDerWaalsContact OG-CB 3.23Å; S935-L938 WeakPolarHBondContact OG-CB 3.32Å; S935-L938 WeakPolarHBondContact OG-CD1 3.34Å; S935-L938 WeakPolarHBondContact OG-CG 3.47Å; S935-L938 PolarHBondContact OG-N 2.94Å; S935-L938 VanDerWaalsContact OG-N 3.08Å; L938-L941 HydrophobicContact CD2-CD2 3.94Å; L938-L941 PolarHBondContact O-N 2.92Å; L938-N942 WeakPolarHBondContact O-CB 3.41Å; L938-N942 PolarHBondContact O-N 2.78Å; L938-W995 HydrophobicContact CD1-CB 3.81Å; L938-W995 HydrophobicContact CD1-CD2 4.42Å; L938-W995 HydrophobicContact CD1-CE3 4.5Å; L938-W995 HydrophobicContact CD1-CG 4.18Å; L938-W995 HydrophobicContact CD2-CD2 4.3Å; L938-W995 HydrophobicContact CD2-CE3 3.59Å; L938-W995 HydrophobicContact CD2-CZ3 4.16Å; L938-V998 HydrophobicContact CD2-CB 4.12Å; L938-V998 HydrophobicContact CD2-CG1 3.88Å; L938-V998 HydrophobicContact CD2-CG2 4.48Å; L938-R999 HydrophobicContact CD1-CG 4.34Å
939	T	91.7	Very high	89.9	Confident	3 Å²	3	34.6 Å²	34.6	2%	0.018	17%	0.172	C	C	.	.	H	α-helix	trans	-61.7	-43.6	171	-60.8	0	0	0	0	111.2	F913 Q931 V932 S935 D936 H937 N942 V943	F913-T939 HydrophobicContact CZ-CG2 4.1Å; Q931-T939 HydrophobicContact CG-CG2 4.13Å; V932-T939 PolarHBondContact N-OG1 3.07Å; S935-T939 PolarHBondContact O-N 2.85Å; S935-T939 PolarHBondContact O-OG1 3.02Å; D936-T939 WeakPolarHBondContact O-CA 3.45Å; D936-T939 VanDerWaalsContact O-CB 3.26Å; D936-T939 WeakPolarHBondContact O-CB 3.44Å; D936-T939 PolarHBondContact O-N 3.33Å; D936-T939 VanDerWaalsContact O-N 3.12Å; H937-T939 VanDerWaalsContact C-N 3.32Å; T939-N942 PolarHBondContact O-N 2.99Å; T939-V943 WeakPolarHBondContact O-CG2 3.48Å; T939-V943 PolarHBondContact O-N 3.1Å
940	F	92.3	Very high	90.2	Very high	26 Å²	26	31.8 Å²	31.8	11%	0.114	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-42.2	173.8	-68	-50.9	0	0	0	112.7	M906 L907 F913 D936 H937 N942 V943 Y944 C1061	M906-F940 HydrophobicContact CB-CB 3.94Å; M906-F940 HydrophobicContact CB-CG 4.26Å; M906-F940 HydrophobicContact CE-CB 3.69Å; M906-F940 HydrophobicContact CE-CD1 3.65Å; M906-F940 HydrophobicContact CE-CG 4.04Å; M906-F940 WeakPolarHBondContact CE-O 3.26Å; M906-F940 HydrophobicContact CG-CB 4.07Å; L907-F940 HydrophobicContact CD2-CD2 4.46Å; L907-F940 HydrophobicContact CD2-CE2 4.17Å; F913-F940 HydrophobicContact CD2-CE1 4.3Å; F913-F940 HydrophobicContact CE2-CD1 4.17Å; F913-F940 AromaticContact CE2-CE1 3.81Å; F913-F940 HydrophobicContact CE2-CE1 3.81Å; D936-F940 VanDerWaalsContact O-CD2 3.3Å; D936-F940 WeakPolarHBondContact O-CD2 3.34Å; D936-F940 PolarHBondContact O-N 2.84Å; H937-F940 PolarHBondContact O-N 3.36Å; F940-N942 PolarHBondContact O-N 2.76Å; F940-V943 PolarHBondContact O-N 2.82Å; F940-Y944 PolarHBondContact O-N 2.97Å; F940-C1061 HydrophobicContact CE2-CB 4.34Å
941	L	92.4	Very high	90.3	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	20%	0.202	C	C	.	.	H	α-helix	trans	-59	-46.3	175.3	-179.8	60.7	0	0	0	111.4	E899 T902 I903 H937 L938 V943 Y944 L945 W995	E899-L941 HydrophobicContact CB-CD1 4.4Å; E899-L941 HydrophobicContact CB-CD2 3.81Å; E899-L941 HydrophobicContact CG-CD2 3.86Å; T902-L941 HydrophobicContact CG2-CD1 3.87Å; I903-L941 HydrophobicContact CD1-CB 4.35Å; I903-L941 HydrophobicContact CD1-CD2 4.34Å; I903-L941 HydrophobicContact CG1-CB 4.09Å; H937-L941 PolarHBondContact O-N 2.78Å; L938-L941 HydrophobicContact CD2-CD2 3.94Å; L938-L941 PolarHBondContact O-N 2.92Å; L941-V943 PolarHBondContact O-N 3.28Å; L941-Y944 PolarHBondContact O-N 3.41Å; L941-L945 HydrophobicContact CD1-CD1 4.16Å; L941-L945 HydrophobicContact CD1-CG 4.23Å; L941-L945 HydrophobicContact CG-CD1 3.96Å; L941-L945 HydrophobicContact CG-CG 4.45Å; L941-L945 WeakPolarHBondContact O-CB 3.34Å; L941-L945 VanDerWaalsContact O-CG 3.28Å; L941-L945 WeakPolarHBondContact O-CG 3.32Å; L941-L945 PolarHBondContact O-N 2.81Å; L941-W995 HydrophobicContact CD2-CE3 4.39Å; L941-W995 HydrophobicContact CD2-CH2 4.43Å; L941-W995 HydrophobicContact CD2-CZ3 3.63Å
942	N	91.9	Very high	90.5	Very high	38 Å²	38	43.4 Å²	43.4	20%	0.203	21%	0.205	C	C	.	.	H	α-helix	trans	-58.7	-46.7	175.9	-173.2	20.8	0	0	0	111.7	F930 V932 L938 T939 F940 Y944 L945 Q946	F930-N942 PolarHBondContact O-ND2 3.3Å; V932-N942 HydrophobicContact CG2-CB 4.48Å; L938-N942 WeakPolarHBondContact O-CB 3.41Å; L938-N942 PolarHBondContact O-N 2.78Å; T939-N942 PolarHBondContact O-N 2.99Å; F940-N942 PolarHBondContact O-N 2.76Å; N942-Y944 PolarHBondContact O-N 2.93Å; N942-L945 PolarHBondContact O-N 2.71Å; N942-Q946 WeakPolarHBondContact O-CB 3.31Å; N942-Q946 VanDerWaalsContact O-CG 3.25Å; N942-Q946 WeakPolarHBondContact O-CG 3.41Å; N942-Q946 PolarHBondContact O-N 2.9Å
943	V	92.5	Very high	90.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-56.5	-47.1	175.1	167.3	0	0	0	0	112	M906 V912 F913 F930 T939 F940 L941 Q946 W947 I962 M967	M906-V943 HydrophobicContact CE-CB 4.41Å; M906-V943 HydrophobicContact CE-CG1 4.24Å; V912-V943 HydrophobicContact CG1-CG1 4.48Å; F913-V943 HydrophobicContact CE1-CG2 3.75Å; F913-V943 HydrophobicContact CZ-CG2 3.71Å; F930-V943 HydrophobicContact CB-CG2 3.71Å; F930-V943 HydrophobicContact CD1-CG2 4.14Å; F930-V943 HydrophobicContact CD2-CG2 3.99Å; F930-V943 HydrophobicContact CG-CG2 3.69Å; T939-V943 WeakPolarHBondContact O-CG2 3.48Å; T939-V943 PolarHBondContact O-N 3.1Å; F940-V943 PolarHBondContact O-N 2.82Å; L941-V943 PolarHBondContact O-N 3.28Å; V943-Q946 PolarHBondContact O-N 3.29Å; V943-W947 WeakPolarHBondContact O-CB 3.21Å; V943-W947 PolarHBondContact O-N 3.14Å; V943-I962 HydrophobicContact CG1-CD1 3.75Å; V943-I962 HydrophobicContact CG1-CG1 4.44Å; V943-M967 HydrophobicContact CG1-CE 4.19Å; V943-M967 HydrophobicContact CG1-SD 4.39Å
944	Y	92.8	Very high	90.7	Very high	6 Å²	6	43.9 Å²	43.9	2%	0.024	21%	0.211	C	C	.	.	H	α-helix	trans	-66.1	-40.8	179.3	-173.6	-86.6	0	0	0	112.2	T902 M906 F940 L941 N942 W947 R948 M967 V970	T902-Y944 HydrophobicContact CG2-CD1 3.45Å; T902-Y944 VanDerWaalsContact CG2-CD1 3.45Å; T902-Y944 HydrophobicContact CG2-CD2 4.14Å; T902-Y944 HydrophobicContact CG2-CE1 4.2Å; T902-Y944 HydrophobicContact CG2-CG 3.43Å; T902-Y944 VanDerWaalsContact CG2-CG 3.43Å; M906-Y944 HydrophobicContact SD-CD2 4.38Å; F940-Y944 PolarHBondContact O-N 2.97Å; L941-Y944 PolarHBondContact O-N 3.41Å; N942-Y944 PolarHBondContact O-N 2.93Å; Y944-W947 HydrophobicContact CD2-CE3 4.32Å; Y944-W947 HydrophobicContact CE2-CE3 4.22Å; Y944-W947 HydrophobicContact CE2-CZ3 4.24Å; Y944-W947 PolarHBondContact O-N 3.21Å; Y944-R948 WeakPolarHBondContact O-CB 3.33Å; Y944-R948 PolarHBondContact O-N 2.97Å; Y944-M967 HydrophobicContact CD2-CE 3.91Å; Y944-V970 HydrophobicContact CD2-CG1 3.82Å; Y944-V970 HydrophobicContact CE2-CG1 3.9Å
945	L	92.2	Very high	90.9	Very high	48 Å²	48	46 Å²	46	25%	0.251	22%	0.223	S	C	.	.	H	α-helix	trans	-63.5	-44	176.7	-71.4	173.1	0	0	0	111.9	L941 N942 R948 V949	L941-L945 HydrophobicContact CD1-CD1 4.16Å; L941-L945 HydrophobicContact CD1-CG 4.23Å; L941-L945 HydrophobicContact CG-CD1 3.96Å; L941-L945 HydrophobicContact CG-CG 4.45Å; L941-L945 WeakPolarHBondContact O-CB 3.34Å; L941-L945 VanDerWaalsContact O-CG 3.28Å; L941-L945 WeakPolarHBondContact O-CG 3.32Å; L941-L945 PolarHBondContact O-N 2.81Å; N942-L945 PolarHBondContact O-N 2.71Å; L945-R948 WeakPolarHBondContact O-CB 3.44Å; L945-R948 PolarHBondContact O-N 3.18Å; L945-V949 WeakPolarHBondContact O-CG2 3.39Å; L945-V949 PolarHBondContact O-N 3.25Å
946	Q	91.6	Very high	90.8	Very high	70 Å²	70	47 Å²	47	33%	0.327	23%	0.227	S	C	.	.	H	α-helix	trans	-64.9	-39.3	176.1	-66.6	-67.3	-15.7	0	0	111.8	F930 N942 V943 V949 N950 W956	F930-Q946 HydrophobicContact CD1-CG 4.24Å; F930-Q946 HydrophobicContact CE1-CB 4.01Å; F930-Q946 HydrophobicContact CE1-CG 4.01Å; N942-Q946 WeakPolarHBondContact O-CB 3.31Å; N942-Q946 VanDerWaalsContact O-CG 3.25Å; N942-Q946 WeakPolarHBondContact O-CG 3.41Å; N942-Q946 PolarHBondContact O-N 2.9Å; V943-Q946 PolarHBondContact O-N 3.29Å; Q946-V949 PolarHBondContact O-N 2.73Å; Q946-N950 WeakPolarHBondContact O-CB 3.36Å; Q946-N950 PolarHBondContact O-N 3.03Å; Q946-N950 PolarHBondContact O-ND2 2.84Å; Q946-W956 HydrophobicContact CB-CH2 3.83Å; Q946-W956 HydrophobicContact CB-CZ2 3.63Å
947	W	92.4	Very high	90.6	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-65.4	-38.6	173.8	-171.7	49.8	0	0	0	112.5	V943 Y944 N950 R951 Y952 S953 W956 C957 M967 R971	V943-W947 WeakPolarHBondContact O-CB 3.21Å; V943-W947 PolarHBondContact O-N 3.14Å; Y944-W947 HydrophobicContact CD2-CE3 4.32Å; Y944-W947 HydrophobicContact CE2-CE3 4.22Å; Y944-W947 HydrophobicContact CE2-CZ3 4.24Å; Y944-W947 PolarHBondContact O-N 3.21Å; W947-N950 CarbonylContact O-C 3.57Å; W947-N950 PolarHBondContact O-N 2.9Å; W947-R951 PolarHBondContact O-N 3.27Å; W947-Y952 AromaticContact CD2-CD1 3.87Å; W947-Y952 HydrophobicContact CD2-CD1 3.87Å; W947-Y952 AromaticContact CE3-CD1 3.56Å; W947-Y952 HydrophobicContact CE3-CD1 3.56Å; W947-Y952 HydrophobicContact CE3-CE1 4.16Å; W947-Y952 AromaticContact CH2-CD1 3.87Å; W947-Y952 HydrophobicContact CH2-CD1 3.87Å; W947-Y952 HydrophobicContact CZ2-CD1 4.15Å; W947-Y952 HydrophobicContact CZ2-CG 4.49Å; W947-Y952 AromaticContact CZ3-CD1 3.57Å; W947-Y952 HydrophobicContact CZ3-CD1 3.57Å; W947-Y952 HydrophobicContact CZ3-CE1 4.19Å; W947-Y952 PolarHBondContact NE1-O 3.28Å; W947-Y952 WeakPolarHBondContact O-CA 3.16Å; W947-Y952 PolarHBondContact O-N 3.47Å; W947-S953 PolarHBondContact NE1-O 2.87Å; W947-W956 HydrophobicContact CB-CE3 4.15Å; W947-W956 HydrophobicContact CB-CH2 4.18Å; W947-W956 HydrophobicContact CB-CZ3 3.62Å; W947-W956 AromaticContact CD1-CE3 3.57Å; W947-W956 AromaticContact CD1-CZ3 3.87Å; W947-W956 HydrophobicContact CG-CE3 4.21Å; W947-W956 HydrophobicContact CG-CZ3 4.06Å; W947-C957 PolarHBondContact NE1-SG 3.46Å; W947-M967 HydrophobicContact CB-CE 4.13Å; W947-M967 HydrophobicContact CD2-CB 4.1Å; W947-M967 HydrophobicContact CD2-CE 3.84Å; W947-M967 HydrophobicContact CE3-CB 3.9Å; W947-M967 HydrophobicContact CE3-CE 3.39Å; W947-M967 HydrophobicContact CG-CE 4.18Å; W947-M967 VanDerWaalsContact CH2-C 3.48Å; W947-M967 HydrophobicContact CH2-CB 3.62Å; W947-M967 WeakPolarHBondContact CH2-O 3.31Å; W947-M967 HydrophobicContact CZ2-CB 3.82Å; W947-M967 HydrophobicContact CZ3-CB 3.66Å; W947-M967 HydrophobicContact CZ3-CE 4.09Å; W947-M967 VanDerWaalsContact CZ3-O 3.23Å; W947-M967 WeakPolarHBondContact CZ3-O 3.24Å; W947-R971 HydrophobicContact CZ3-CB 4.33Å
948	R	91.8	Very high	90.3	Very high	92 Å²	92	49 Å²	49	35%	0.347	24%	0.242	S	C	.	.	H	α-helix	trans	-62.1	-43.6	173.9	176.6	166.6	80.7	173	-0.9	111.9	E898 Y944 L945 R951 Y952	E898-R948 IonicContact OE1-CZ 2.89Å; E898-R948 IonicContact OE1-NH1 3.13Å; E898-R948 PolarHBondContact OE1-NH1 2.81Å; E898-R948 IonicContact OE1-NH2 3.95Å; E898-R948 PolarHBondContact OE1-NH2 3.14Å; Y944-R948 WeakPolarHBondContact O-CB 3.33Å; Y944-R948 PolarHBondContact O-N 2.97Å; L945-R948 WeakPolarHBondContact O-CB 3.44Å; L945-R948 PolarHBondContact O-N 3.18Å; R948-R951 PolarHBondContact O-N 3.3Å; R948-Y952 HydrophobicContact CB-CE1 4.18Å; R948-Y952 HydrophobicContact CG-CE1 4.48Å
949	V	92.6	Very high	90	Very high	107 Å²	107	54.3 Å²	54.3	65%	0.648	27%	0.267	S	S	*	.	H	α-helix	trans	-62.9	-44.1	174.8	169.9	0	0	0	0	110.8	L945 Q946 R951	L945-V949 WeakPolarHBondContact O-CG2 3.39Å; L945-V949 PolarHBondContact O-N 3.25Å; Q946-V949 PolarHBondContact O-N 2.73Å; V949-R951 PolarHBondContact O-N 2.68Å
950	N	91.5	Very high	89.7	Confident	66 Å²	66	55.6 Å²	55.6	35%	0.353	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	33	175.9	-68.6	-75.1	0	0	0	113.4	Q946 W947 Y952 S953 W956	Q946-N950 WeakPolarHBondContact O-CB 3.36Å; Q946-N950 PolarHBondContact O-N 3.03Å; Q946-N950 PolarHBondContact O-ND2 2.84Å; W947-N950 CarbonylContact O-C 3.57Å; W947-N950 PolarHBondContact O-N 2.9Å; N950-Y952 PolarHBondContact O-N 3.13Å; N950-S953 VanDerWaalsContact O-CB 3.25Å; N950-S953 WeakPolarHBondContact O-CB 3.33Å; N950-S953 PolarHBondContact O-N 2.99Å; N950-W956 HydrophobicContact CB-CB 4.42Å; N950-W956 HydrophobicContact CB-CD2 4.29Å; N950-W956 HydrophobicContact CB-CG 3.94Å; N950-W956 PolarHBondContact ND2-NE1 3.06Å
951	R	89	Confident	89.3	Confident	230 Å²	230	55 Å²	55	87%	0.868	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	29.9	173.4	-58.7	-174.1	178.1	-169.7	0.1	115.3	W947 R948 V949 S953	W947-R951 PolarHBondContact O-N 3.27Å; R948-R951 PolarHBondContact O-N 3.3Å; V949-R951 PolarHBondContact O-N 2.68Å; R951-S953 VanDerWaalsContact C-N 3.26Å; R951-S953 PolarHBondContact O-N 3.26Å
952	Y	87.8	Confident	89.1	Confident	73 Å²	73	54.9 Å²	54.9	29%	0.286	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	26.4	-175.2	-49.5	-78	0	0	0	114.7	W947 R948 N950	W947-Y952 AromaticContact CD2-CD1 3.87Å; W947-Y952 HydrophobicContact CD2-CD1 3.87Å; W947-Y952 AromaticContact CE3-CD1 3.56Å; W947-Y952 HydrophobicContact CE3-CD1 3.56Å; W947-Y952 HydrophobicContact CE3-CE1 4.16Å; W947-Y952 AromaticContact CH2-CD1 3.87Å; W947-Y952 HydrophobicContact CH2-CD1 3.87Å; W947-Y952 HydrophobicContact CZ2-CD1 4.15Å; W947-Y952 HydrophobicContact CZ2-CG 4.49Å; W947-Y952 AromaticContact CZ3-CD1 3.57Å; W947-Y952 HydrophobicContact CZ3-CD1 3.57Å; W947-Y952 HydrophobicContact CZ3-CE1 4.19Å; W947-Y952 PolarHBondContact NE1-O 3.28Å; W947-Y952 WeakPolarHBondContact O-CA 3.16Å; W947-Y952 PolarHBondContact O-N 3.47Å; R948-Y952 HydrophobicContact CB-CE1 4.18Å; R948-Y952 HydrophobicContact CG-CE1 4.48Å; N950-Y952 PolarHBondContact O-N 3.13Å
953	S	86.2	Confident	88.7	Confident	43 Å²	43	56.9 Å²	56.9	30%	0.301	28%	0.277	S	S	.	.			trans	-52.8	136.9	-179.6	175.4	0	0	0	0	113.1	W947 N950 R951 N955 W956	W947-S953 PolarHBondContact NE1-O 2.87Å; N950-S953 VanDerWaalsContact O-CB 3.25Å; N950-S953 WeakPolarHBondContact O-CB 3.33Å; N950-S953 PolarHBondContact O-N 2.99Å; R951-S953 VanDerWaalsContact C-N 3.26Å; R951-S953 PolarHBondContact O-N 3.26Å; S953-N955 PolarHBondContact OG-N 3.13Å; S953-W956 PolarHBondContact OG-N 3.2Å
954	S	87.1	Confident	88.4	Confident	48 Å²	48	58.3 Å²	58.3	34%	0.336	29%	0.286	S	S	.	.	H	α-helix	trans	-68.1	-45.6	168.9	37.2	0	0	0	0	111.4	W956 C957 S958	S954-W956 VanDerWaalsContact C-N 3.32Å; S954-W956 PolarHBondContact O-N 3.39Å; S954-C957 WeakPolarHBondContact O-CA 3.33Å; S954-C957 WeakPolarHBondContact O-CB 3.33Å; S954-C957 PolarHBondContact O-N 3.16Å; S954-S958 PolarHBondContact O-N 3.05Å; S954-S958 PolarHBondContact O-OG 3.16Å
955	N	87.6	Confident	87.8	Confident	86 Å²	86	62.3 Å²	62.3	46%	0.46	30%	0.303	S	S	.	.	H	α-helix	trans	-68.7	-37.1	-170.3	-56.3	28.1	0	0	0	110	S953 C957 S958 E959	S953-N955 PolarHBondContact OG-N 3.13Å; N955-C957 VanDerWaalsContact C-N 3.31Å; N955-C957 PolarHBondContact O-N 3.47Å; N955-S958 PolarHBondContact O-N 2.88Å; N955-E959 WeakPolarHBondContact O-CB 3.25Å; N955-E959 WeakPolarHBondContact O-CG 3.35Å; N955-E959 PolarHBondContact O-N 2.94Å
956	W	89.1	Confident	87.4	Confident	23 Å²	23	60.4 Å²	60.4	9%	0.087	29%	0.294	C	S	.	.	H	α-helix	trans	-58.1	-41.3	170.9	-177.1	87.2	0	0	0	112.6	F930 Q946 W947 N950 S953 S954 H960 I962	F930-W956 AromaticContact CE1-CH2 3.88Å; F930-W956 HydrophobicContact CE1-CH2 3.88Å; F930-W956 AromaticContact CE1-CZ2 3.68Å; F930-W956 HydrophobicContact CE1-CZ2 3.68Å; F930-W956 AromaticContact CZ-CH2 3.63Å; F930-W956 HydrophobicContact CZ-CH2 3.63Å; F930-W956 AromaticContact CZ-CZ2 3.49Å; F930-W956 HydrophobicContact CZ-CZ2 3.49Å; F930-W956 VanDerWaalsContact CZ-CZ2 3.49Å; Q946-W956 HydrophobicContact CB-CH2 3.83Å; Q946-W956 HydrophobicContact CB-CZ2 3.63Å; W947-W956 HydrophobicContact CB-CE3 4.15Å; W947-W956 HydrophobicContact CB-CH2 4.18Å; W947-W956 HydrophobicContact CB-CZ3 3.62Å; W947-W956 AromaticContact CD1-CE3 3.57Å; W947-W956 AromaticContact CD1-CZ3 3.87Å; W947-W956 HydrophobicContact CG-CE3 4.21Å; W947-W956 HydrophobicContact CG-CZ3 4.06Å; N950-W956 HydrophobicContact CB-CB 4.42Å; N950-W956 HydrophobicContact CB-CD2 4.29Å; N950-W956 HydrophobicContact CB-CG 3.94Å; N950-W956 PolarHBondContact ND2-NE1 3.06Å; S953-W956 PolarHBondContact OG-N 3.2Å; S954-W956 VanDerWaalsContact C-N 3.32Å; S954-W956 PolarHBondContact O-N 3.39Å; W956-H960 AromaticContact CD1-CD2 3.74Å; W956-H960 AromaticContact CD1-NE2 4Å; W956-H960 AromaticContact CD2-CD2 3.99Å; W956-H960 AromaticContact CE2-CD2 3.6Å; W956-H960 AromaticContact CE2-NE2 3.92Å; W956-H960 AromaticContact NE1-CD2 3.41Å; W956-H960 PolarHBondContact NE1-CD2 3.12Å; W956-H960 AromaticContact NE1-NE2 3.42Å; W956-H960 PolarHBondContact NE1-NE2 3.42Å; W956-H960 WeakPolarHBondContact O-CB 3.33Å; W956-H960 PolarHBondContact O-CD2 3.49Å; W956-H960 PolarHBondContact O-N 3.41Å; W956-I962 HydrophobicContact CE3-CD1 4.47Å; W956-I962 HydrophobicContact CH2-CD1 3.81Å; W956-I962 HydrophobicContact CZ3-CD1 3.58Å
957	C	86.2	Confident	87.3	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.6	-45.1	175.9	-83.4	0	0	0	0	111.8	W947 S954 N955 H960 F961 I962 V964	W947-C957 PolarHBondContact NE1-SG 3.46Å; S954-C957 WeakPolarHBondContact O-CA 3.33Å; S954-C957 WeakPolarHBondContact O-CB 3.33Å; S954-C957 PolarHBondContact O-N 3.16Å; N955-C957 VanDerWaalsContact C-N 3.31Å; N955-C957 PolarHBondContact O-N 3.47Å; C957-H960 CarbonylContact O-C 3.59Å; C957-H960 PolarHBondContact O-N 3.11Å; C957-F961 PolarHBondContact O-N 3.37Å; C957-F961 VanDerWaalsContact O-N 3.11Å; C957-I962 CarbonylContact C-O 3.54Å; C957-I962 HydrophobicContact CB-CB 4.15Å; C957-I962 HydrophobicContact CB-CG2 4.2Å; C957-I962 WeakPolarHBondContact CB-O 3.3Å; C957-I962 PolarHBondContact O-N 3.05Å; C957-I962 VanDerWaalsContact SG-CG2 3.6Å; C957-V964 HydrophobicContact CB-CG2 3.62Å
958	S	84.6	Confident	87	Confident	57 Å²	57	61.1 Å²	61.1	40%	0.399	29%	0.294	S	S	.	.	H	α-helix	trans	-58.9	-46.2	174.4	-57.9	0	0	0	0	111.7	Y914 S954 N955 H960 F961	Y914-S958 PolarHBondContact OH-O 3.49Å; S954-S958 PolarHBondContact O-N 3.05Å; S954-S958 PolarHBondContact O-OG 3.16Å; N955-S958 PolarHBondContact O-N 2.88Å; S958-H960 VanDerWaalsContact C-N 3.35Å; S958-H960 PolarHBondContact O-N 2.98Å; S958-F961 PolarHBondContact O-N 3.49Å
959	E	86.2	Confident	86.6	Confident	118 Å²	118	59.7 Å²	59.7	55%	0.551	29%	0.29	S	S	*	.	H	α-helix	trans	-58.5	-44.4	175.2	-79.1	178.2	-145.5	0	0	112	K926 N955 F961	K926-E959 WeakPolarHBondContact CD-O 3.4Å; K926-E959 WeakPolarHBondContact CE-O 3.43Å; K926-E959 PolarHBondContact NZ-O 3.29Å; N955-E959 WeakPolarHBondContact O-CB 3.25Å; N955-E959 WeakPolarHBondContact O-CG 3.35Å; N955-E959 PolarHBondContact O-N 2.94Å; E959-F961 VanDerWaalsContact C-N 3.32Å; E959-F961 PolarHBondContact O-N 3.37Å
960	H	86.2	Confident	86.5	Confident	29 Å²	29	54.6 Å²	54.6	13%	0.134	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	8.9	-175.9	-80.9	-88.9	0	0	0	115.1	F930 W956 C957 S958 I962	F930-H960 HydrophobicContact CE2-CB 3.99Å; F930-H960 AromaticContact CE2-CG 3.9Å; F930-H960 AromaticContact CE2-ND1 3.32Å; F930-H960 VanDerWaalsContact CE2-ND1 3.32Å; F930-H960 WeakPolarHBondContact CE2-ND1 3.38Å; F930-H960 HydrophobicContact CZ-CB 4.12Å; F930-H960 AromaticContact CZ-CE1 3.64Å; F930-H960 AromaticContact CZ-CG 3.7Å; F930-H960 AromaticContact CZ-ND1 3.18Å; F930-H960 WeakPolarHBondContact CZ-ND1 3.36Å; W956-H960 AromaticContact CD1-CD2 3.74Å; W956-H960 AromaticContact CD1-NE2 4Å; W956-H960 AromaticContact CD2-CD2 3.99Å; W956-H960 AromaticContact CE2-CD2 3.6Å; W956-H960 AromaticContact CE2-NE2 3.92Å; W956-H960 AromaticContact NE1-CD2 3.41Å; W956-H960 PolarHBondContact NE1-CD2 3.12Å; W956-H960 AromaticContact NE1-NE2 3.42Å; W956-H960 PolarHBondContact NE1-NE2 3.42Å; W956-H960 WeakPolarHBondContact O-CB 3.33Å; W956-H960 PolarHBondContact O-CD2 3.49Å; W956-H960 PolarHBondContact O-N 3.41Å; C957-H960 CarbonylContact O-C 3.59Å; C957-H960 PolarHBondContact O-N 3.11Å; S958-H960 VanDerWaalsContact C-N 3.35Å; S958-H960 PolarHBondContact O-N 2.98Å; H960-I962 VanDerWaalsContact C-N 3.29Å; H960-I962 HydrophobicContact CB-CD1 3.81Å; H960-I962 HydrophobicContact CB-CG1 4.33Å; H960-I962 PolarHBondContact O-N 3.19Å
961	F	84.5	Confident	86.5	Confident	13 Å²	13	57.3 Å²	57.3	6%	0.057	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	40.5	-176.3	-56.3	-80.1	0	0	0	113.6	Y914 P916 R919 E922 G923 K926 C957 S958 E959	Y914-F961 HydrophobicContact CD1-CB 4.5Å; Y914-F961 VanDerWaalsContact CD1-O 3.23Å; Y914-F961 WeakPolarHBondContact CD1-O 3.24Å; Y914-F961 VanDerWaalsContact CE1-CA 3.44Å; Y914-F961 HydrophobicContact CE1-CB 4.23Å; Y914-F961 AromaticContact CE2-CD1 3.91Å; Y914-F961 HydrophobicContact CE2-CD1 3.91Å; Y914-F961 AromaticContact CZ-CD1 3.94Å; Y914-F961 PolarHBondContact N-O 3.37Å; P916-F961 HydrophobicContact CG-CD1 3.76Å; P916-F961 HydrophobicContact CG-CE1 3.78Å; R919-F961 HydrophobicContact CB-CE1 4.39Å; R919-F961 HydrophobicContact CB-CZ 4.36Å; E922-F961 HydrophobicContact CB-CE2 3.71Å; E922-F961 HydrophobicContact CB-CZ 3.85Å; G923-F961 VanDerWaalsContact CA-CD2 3.45Å; K926-F961 HydrophobicContact CB-CD2 4.28Å; K926-F961 HydrophobicContact CD-CD2 3.79Å; K926-F961 HydrophobicContact CD-CE2 3.75Å; K926-F961 HydrophobicContact CG-CD2 4.4Å; K926-F961 HydrophobicContact CG-CE2 4.46Å; C957-F961 PolarHBondContact O-N 3.37Å; C957-F961 VanDerWaalsContact O-N 3.11Å; S958-F961 PolarHBondContact O-N 3.49Å; E959-F961 VanDerWaalsContact C-N 3.32Å; E959-F961 PolarHBondContact O-N 3.37Å
962	I	86.8	Confident	86.3	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-108.7	132.5	177.5	-69.3	162.1	0	0	0	109	V912 F913 F930 V943 W956 C957 H960 V964 M967	V912-I962 HydrophobicContact CG1-CG2 3.77Å; F913-I962 HydrophobicContact CD1-CG1 4.3Å; F930-I962 HydrophobicContact CE2-CD1 3.99Å; F930-I962 HydrophobicContact CZ-CD1 4.27Å; V943-I962 HydrophobicContact CG1-CD1 3.75Å; V943-I962 HydrophobicContact CG1-CG1 4.44Å; W956-I962 HydrophobicContact CE3-CD1 4.47Å; W956-I962 HydrophobicContact CH2-CD1 3.81Å; W956-I962 HydrophobicContact CZ3-CD1 3.58Å; C957-I962 CarbonylContact C-O 3.54Å; C957-I962 HydrophobicContact CB-CB 4.15Å; C957-I962 HydrophobicContact CB-CG2 4.2Å; C957-I962 WeakPolarHBondContact CB-O 3.3Å; C957-I962 PolarHBondContact O-N 3.05Å; C957-I962 VanDerWaalsContact SG-CG2 3.6Å; H960-I962 VanDerWaalsContact C-N 3.29Å; H960-I962 HydrophobicContact CB-CD1 3.81Å; H960-I962 HydrophobicContact CB-CG1 4.33Å; H960-I962 PolarHBondContact O-N 3.19Å; I962-V964 PolarHBondContact O-N 2.91Å; I962-V964 VanDerWaalsContact O-N 3.17Å; I962-M967 HydrophobicContact CG2-CG 3.38Å; I962-M967 HydrophobicContact CG2-SD 3.98Å
963	H	83.7	Confident	86.4	Confident	81 Å²	81	47.1 Å²	47.1	38%	0.375	23%	0.23	S	C	.	.			trans	-77.3	106.4	-174.3	-173.6	-128.7	0	0	0	111.7	V912 Y914 K965 A966 M967	V912-H963 PolarHBondContact O-N 3.42Å; Y914-H963 HydrophobicContact CD1-CB 4.32Å; H963-K965 VanDerWaalsContact C-N 3.31Å; H963-K965 PolarHBondContact O-N 3.41Å; H963-A966 HydrophobicContact CB-CB 4.04Å; H963-A966 PolarHBondContact ND1-N 2.94Å; H963-A966 WeakPolarHBondContact O-CA 3.47Å; H963-A966 WeakPolarHBondContact O-CB 3.27Å; H963-A966 PolarHBondContact O-N 3.15Å; H963-M967 PolarHBondContact O-N 3.34Å; H963-M967 VanDerWaalsContact O-N 3.08Å
964	V	85.9	Confident	86.7	Confident	29 Å²	29	46.4 Å²	46.4	18%	0.176	22%	0.22	C	C	.	.	H	α-helix	trans	-51	-46.1	-176.8	-179.1	0	0	0	0	112.7	C957 I962 A966 M967 R968	C957-V964 HydrophobicContact CB-CG2 3.62Å; I962-V964 PolarHBondContact O-N 2.91Å; I962-V964 VanDerWaalsContact O-N 3.17Å; V964-A966 VanDerWaalsContact C-N 3.27Å; V964-A966 PolarHBondContact O-N 3.41Å; V964-M967 PolarHBondContact O-N 3.15Å; V964-R968 WeakPolarHBondContact O-CG 3.19Å; V964-R968 PolarHBondContact O-N 3.33Å
965	K	80.3	Confident	86.9	Confident	91 Å²	91	46.3 Å²	46.3	40%	0.396	22%	0.223	S	C	.	.	H	α-helix	trans	-65.1	-29.8	-179.6	-62.6	177.3	-179.4	172.5	0	111.9	D714 H963 K969	D714-K965 IonicContact OD1-NZ 3.95Å; D714-K965 PolarHBondContact OD1-NZ 2.94Å; D714-K965 IonicContact OD2-NZ 2.86Å; H963-K965 VanDerWaalsContact C-N 3.31Å; H963-K965 PolarHBondContact O-N 3.41Å; K965-K969 PolarHBondContact O-N 3.18Å
966	A	84.6	Confident	86.9	Confident	7 Å²	7	45.5 Å²	45.5	6%	0.058	22%	0.216	C	C	.	.	H	α-helix	trans	-71.5	-48.4	172.7	0	0	0	0	0	111.5	V909 V912 H963 V964 R968 K969 V970	V909-A966 HydrophobicContact CG1-CB 3.69Å; V912-A966 HydrophobicContact CG2-CB 4.47Å; H963-A966 HydrophobicContact CB-CB 4.04Å; H963-A966 PolarHBondContact ND1-N 2.94Å; H963-A966 WeakPolarHBondContact O-CA 3.47Å; H963-A966 WeakPolarHBondContact O-CB 3.27Å; H963-A966 PolarHBondContact O-N 3.15Å; V964-A966 VanDerWaalsContact C-N 3.27Å; V964-A966 PolarHBondContact O-N 3.41Å; A966-R968 VanDerWaalsContact C-N 3.31Å; A966-R968 PolarHBondContact O-N 3.21Å; A966-K969 WeakPolarHBondContact O-CA 3.26Å; A966-K969 WeakPolarHBondContact O-CB 3.5Å; A966-K969 PolarHBondContact O-N 3.14Å; A966-K969 VanDerWaalsContact O-N 3.09Å; A966-V970 WeakPolarHBondContact O-CG2 3.37Å; A966-V970 PolarHBondContact O-N 2.93Å
967	M	89.3	Confident	87	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.2	-35.6	-179.9	-67.4	-57.5	-67.6	0	0	113.1	M906 V912 V943 Y944 W947 I962 H963 V964 V970 R971	M906-M967 HydrophobicContact CE-SD 4.21Å; M906-M967 HydrophobicContact SD-CE 4.17Å; M906-M967 HydrophobicContact SD-SD 4.03Å; V912-M967 HydrophobicContact CG1-CG 4.19Å; V912-M967 HydrophobicContact CG1-SD 3.37Å; V912-M967 WeakPolarHBondContact CG1-SD 3.2Å; V912-M967 HydrophobicContact CG2-SD 4.32Å; V943-M967 HydrophobicContact CG1-CE 4.19Å; V943-M967 HydrophobicContact CG1-SD 4.39Å; Y944-M967 HydrophobicContact CD2-CE 3.91Å; W947-M967 HydrophobicContact CB-CE 4.13Å; W947-M967 HydrophobicContact CD2-CB 4.1Å; W947-M967 HydrophobicContact CD2-CE 3.84Å; W947-M967 HydrophobicContact CE3-CB 3.9Å; W947-M967 HydrophobicContact CE3-CE 3.39Å; W947-M967 HydrophobicContact CG-CE 4.18Å; W947-M967 VanDerWaalsContact CH2-C 3.48Å; W947-M967 HydrophobicContact CH2-CB 3.62Å; W947-M967 WeakPolarHBondContact CH2-O 3.31Å; W947-M967 HydrophobicContact CZ2-CB 3.82Å; W947-M967 HydrophobicContact CZ3-CB 3.66Å; W947-M967 HydrophobicContact CZ3-CE 4.09Å; W947-M967 VanDerWaalsContact CZ3-O 3.23Å; W947-M967 WeakPolarHBondContact CZ3-O 3.24Å; I962-M967 HydrophobicContact CG2-CG 3.38Å; I962-M967 HydrophobicContact CG2-SD 3.98Å; H963-M967 PolarHBondContact O-N 3.34Å; H963-M967 VanDerWaalsContact O-N 3.08Å; V964-M967 PolarHBondContact O-N 3.15Å; M967-V970 PolarHBondContact O-N 3.22Å; M967-R971 PolarHBondContact O-N 3.19Å; M967-R971 VanDerWaalsContact O-N 3.11Å
968	R	86.3	Confident	87.3	Confident	90 Å²	90	48.4 Å²	48.4	34%	0.34	23%	0.229	S	C	.	.	H	α-helix	trans	-59.5	-49.6	170.5	-71.7	-179.8	178.2	-139.4	-2.5	111.6	H433 V964 A966 V970 R971 E972	H433-R968 WeakPolarHBondContact NE2-CD 3.34Å; H433-R968 PolarHBondContact NE2-NH1 3.24Å; V964-R968 WeakPolarHBondContact O-CG 3.19Å; V964-R968 PolarHBondContact O-N 3.33Å; A966-R968 VanDerWaalsContact C-N 3.31Å; A966-R968 PolarHBondContact O-N 3.21Å; R968-V970 VanDerWaalsContact C-N 3.32Å; R968-V970 PolarHBondContact O-N 2.82Å; R968-R971 WeakPolarHBondContact O-CB 3.39Å; R968-R971 PolarHBondContact O-N 3.04Å; R968-E972 WeakPolarHBondContact O-CG 3.44Å; R968-E972 PolarHBondContact O-N 3.35Å
969	K	82.7	Confident	87.6	Confident	61 Å²	61	49.4 Å²	49.4	27%	0.265	23%	0.23	S	C	.	.	H	α-helix	trans	-60.2	-36.1	175	-169.6	-174.9	175.9	-122.3	0	113.3	S908 V909 K965 A966 R971 E972 I973	S908-K969 PolarHBondContact O-NZ 3.2Å; V909-K969 HydrophobicContact CG1-CD 4.37Å; V909-K969 HydrophobicContact CG2-CB 4.36Å; V909-K969 HydrophobicContact CG2-CD 4.06Å; V909-K969 HydrophobicContact CG2-CG 4.11Å; K965-K969 PolarHBondContact O-N 3.18Å; A966-K969 WeakPolarHBondContact O-CA 3.26Å; A966-K969 WeakPolarHBondContact O-CB 3.5Å; A966-K969 PolarHBondContact O-N 3.14Å; A966-K969 VanDerWaalsContact O-N 3.09Å; K969-R971 VanDerWaalsContact C-N 3.34Å; K969-E972 PolarHBondContact O-N 2.97Å; K969-I973 HydrophobicContact CD-CD1 4.42Å; K969-I973 HydrophobicContact CG-CD1 3.98Å; K969-I973 HydrophobicContact CG-CG1 4.46Å; K969-I973 WeakPolarHBondContact O-CB 3.45Å; K969-I973 WeakPolarHBondContact O-CG1 3.37Å; K969-I973 PolarHBondContact O-N 3.05Å
970	V	90.8	Very high	87.7	Confident	0 Å²	0	45 Å²	45	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-44.3	173	173	0	0	0	0	110.7	M906 V909 Y944 A966 M967 R968 I973 R974	M906-V970 HydrophobicContact CG-CG1 3.96Å; M906-V970 HydrophobicContact SD-CB 4.26Å; M906-V970 HydrophobicContact SD-CG1 3.67Å; M906-V970 HydrophobicContact SD-CG2 3.79Å; V909-V970 HydrophobicContact CB-CG2 3.99Å; V909-V970 HydrophobicContact CG1-CG2 4.32Å; V909-V970 HydrophobicContact CG2-CG2 3.67Å; Y944-V970 HydrophobicContact CD2-CG1 3.82Å; Y944-V970 HydrophobicContact CE2-CG1 3.9Å; A966-V970 WeakPolarHBondContact O-CG2 3.37Å; A966-V970 PolarHBondContact O-N 2.93Å; M967-V970 PolarHBondContact O-N 3.22Å; R968-V970 VanDerWaalsContact C-N 3.32Å; R968-V970 PolarHBondContact O-N 2.82Å; V970-I973 PolarHBondContact O-N 2.76Å; V970-R974 VanDerWaalsContact O-CB 3.25Å; V970-R974 WeakPolarHBondContact O-CB 3.35Å; V970-R974 PolarHBondContact O-N 3.19Å
971	R	90.7	Very high	87.9	Confident	124 Å²	124	43.6 Å²	43.6	47%	0.468	20%	0.204	S	C	.	.	H	α-helix	trans	-65.6	-37.8	177.8	179	175.8	165	-172.3	-8.7	112.3	W947 M967 R968 K969 A975	W947-R971 HydrophobicContact CZ3-CB 4.33Å; M967-R971 PolarHBondContact O-N 3.19Å; M967-R971 VanDerWaalsContact O-N 3.11Å; R968-R971 WeakPolarHBondContact O-CB 3.39Å; R968-R971 PolarHBondContact O-N 3.04Å; K969-R971 VanDerWaalsContact C-N 3.34Å; R971-A975 WeakPolarHBondContact O-CB 3.5Å; R971-A975 PolarHBondContact O-N 2.94Å
972	E	86.4	Confident	88.2	Confident	84 Å²	84	46.5 Å²	46.5	39%	0.393	22%	0.22	S	C	.	.	H	α-helix	trans	-63.8	-48.7	173.9	-69.1	156.1	-161.3	0	0	111.9	R968 K969 R974 A975 Q976	R968-E972 WeakPolarHBondContact O-CG 3.44Å; R968-E972 PolarHBondContact O-N 3.35Å; K969-E972 PolarHBondContact O-N 2.97Å; E972-R974 PolarHBondContact O-N 2.72Å; E972-A975 PolarHBondContact O-N 3.33Å; E972-Q976 WeakPolarHBondContact O-CG 3.36Å; E972-Q976 PolarHBondContact O-N 3.4Å
973	I	88.4	Confident	88.3	Confident	5 Å²	5	53 Å²	53	3%	0.026	25%	0.25	C	S	.	.	H	α-helix	trans	-62.5	-43	176.6	-70.2	169.3	0	0	0	110.6	F544 V909 K969 V970 A975 Q976 L977	F544-I973 HydrophobicContact CE1-CD1 4.43Å; F544-I973 HydrophobicContact CE1-CG1 3.83Å; F544-I973 HydrophobicContact CZ-CD1 4.11Å; F544-I973 HydrophobicContact CZ-CG1 4.03Å; V909-I973 HydrophobicContact CG2-CD1 3.69Å; K969-I973 HydrophobicContact CD-CD1 4.42Å; K969-I973 HydrophobicContact CG-CD1 3.98Å; K969-I973 HydrophobicContact CG-CG1 4.46Å; K969-I973 WeakPolarHBondContact O-CB 3.45Å; K969-I973 WeakPolarHBondContact O-CG1 3.37Å; K969-I973 PolarHBondContact O-N 3.05Å; V970-I973 PolarHBondContact O-N 2.76Å; I973-A975 VanDerWaalsContact C-N 3.33Å; I973-A975 PolarHBondContact O-N 2.9Å; I973-Q976 PolarHBondContact O-N 3.22Å; I973-L977 HydrophobicContact CG2-CD1 3.66Å; I973-L977 HydrophobicContact CG2-CG 4.09Å; I973-L977 WeakPolarHBondContact O-CB 3.34Å; I973-L977 VanDerWaalsContact O-CG 3.32Å; I973-L977 WeakPolarHBondContact O-CG 3.48Å; I973-L977 PolarHBondContact O-N 3.13Å
974	R	92.7	Very high	88.5	Confident	28 Å²	28	53.1 Å²	53.1	11%	0.106	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-40.8	177.3	178.8	169	171.9	82.4	-12.2	112.2	E898 L901 T902 S905 V970 E972 K978	E898-R974 PolarHBondContact O-NH1 2.95Å; E898-R974 PolarHBondContact O-NH2 3.03Å; E898-R974 IonicContact OE1-NH2 3.25Å; E898-R974 PolarHBondContact OE1-NH2 2.93Å; L901-R974 HydrophobicContact CD2-CG 4.46Å; L901-R974 HydrophobicContact CG-CG 4.27Å; T902-R974 VanDerWaalsContact N-NH1 3.1Å; T902-R974 PolarHBondContact OG1-NH1 3.4Å; S905-R974 VanDerWaalsContact OG-CA 3.25Å; S905-R974 WeakPolarHBondContact OG-CA 3.46Å; S905-R974 WeakPolarHBondContact OG-CB 3.35Å; S905-R974 PolarHBondContact OG-N 2.73Å; V970-R974 VanDerWaalsContact O-CB 3.25Å; V970-R974 WeakPolarHBondContact O-CB 3.35Å; V970-R974 PolarHBondContact O-N 3.19Å; E972-R974 PolarHBondContact O-N 2.72Å; R974-K978 WeakPolarHBondContact O-CB 3.24Å; R974-K978 PolarHBondContact O-N 2.78Å
975	A	91.6	Very high	88.6	Confident	46 Å²	46	60.7 Å²	60.7	38%	0.38	28%	0.281	S	S	.	.	H	α-helix	trans	-63.3	-53.5	175	0	0	0	0	0	110.9	R971 E972 I973 L977 K978 D979	R971-A975 WeakPolarHBondContact O-CB 3.5Å; R971-A975 PolarHBondContact O-N 2.94Å; E972-A975 PolarHBondContact O-N 3.33Å; I973-A975 VanDerWaalsContact C-N 3.33Å; I973-A975 PolarHBondContact O-N 2.9Å; A975-L977 PolarHBondContact O-N 3.16Å; A975-K978 CarbonylContact O-C 3.24Å; A975-K978 WeakPolarHBondContact O-CA 3.28Å; A975-K978 VanDerWaalsContact O-CB 3.27Å; A975-K978 WeakPolarHBondContact O-CB 3.47Å; A975-K978 PolarHBondContact O-N 3.4Å; A975-D979 PolarHBondContact O-N 2.98Å
976	Q	87	Confident	89	Confident	68 Å²	68	58 Å²	58	32%	0.318	27%	0.271	S	S	.	.	H	α-helix	trans	-61.9	-40	-178.7	-68.8	172.3	7.7	0	0	113.5	E972 I973 K978 D979 I980	E972-Q976 WeakPolarHBondContact O-CG 3.36Å; E972-Q976 PolarHBondContact O-N 3.4Å; I973-Q976 PolarHBondContact O-N 3.22Å; Q976-K978 VanDerWaalsContact C-N 3.34Å; Q976-D979 PolarHBondContact O-N 3.05Å; Q976-I980 VanDerWaalsContact O-CG1 3.31Å; Q976-I980 WeakPolarHBondContact O-CG1 3.38Å; Q976-I980 PolarHBondContact O-N 3.32Å
977	L	91.3	Very high	89.1	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-65.3	-39.2	174.1	-70.9	177	0	0	0	110.9	F878 P879 L880 L901 V904 I973 A975 I980 M981	F878-L977 HydrophobicContact CD1-CD2 3.96Å; P879-L977 HydrophobicContact CG-CD2 4.1Å; L880-L977 HydrophobicContact CD1-CD1 4.26Å; L880-L977 HydrophobicContact CD1-CD2 3.86Å; L880-L977 HydrophobicContact CD2-CD1 4.34Å; L880-L977 HydrophobicContact CD2-CD2 4.24Å; L880-L977 HydrophobicContact CG-CD2 4.06Å; L901-L977 HydrophobicContact CD1-CB 3.41Å; L901-L977 VanDerWaalsContact CD1-CB 3.41Å; L901-L977 HydrophobicContact CD1-CD1 4.18Å; L901-L977 HydrophobicContact CD1-CG 4.46Å; V904-L977 HydrophobicContact CG1-CD1 3.8Å; I973-L977 HydrophobicContact CG2-CD1 3.66Å; I973-L977 HydrophobicContact CG2-CG 4.09Å; I973-L977 WeakPolarHBondContact O-CB 3.34Å; I973-L977 VanDerWaalsContact O-CG 3.32Å; I973-L977 WeakPolarHBondContact O-CG 3.48Å; I973-L977 PolarHBondContact O-N 3.13Å; A975-L977 PolarHBondContact O-N 3.16Å; L977-I980 PolarHBondContact O-N 3.28Å; L977-M981 VanDerWaalsContact O-CG 3.28Å; L977-M981 WeakPolarHBondContact O-CG 3.45Å; L977-M981 PolarHBondContact O-N 3.37Å
978	K	92.7	Very high	89.1	Confident	83 Å²	83	66.3 Å²	66.3	36%	0.361	31%	0.313	S	S	.	.	H	α-helix	trans	-60.2	-46.7	171.9	-162.2	-157.3	179.3	-75.5	0	111.4	L901 R974 A975 Q976 I980 M981 D982 I988	L901-K978 HydrophobicContact CD2-CB 4.12Å; L901-K978 HydrophobicContact CD2-CG 4.33Å; R974-K978 WeakPolarHBondContact O-CB 3.24Å; R974-K978 PolarHBondContact O-N 2.78Å; A975-K978 CarbonylContact O-C 3.24Å; A975-K978 WeakPolarHBondContact O-CA 3.28Å; A975-K978 VanDerWaalsContact O-CB 3.27Å; A975-K978 WeakPolarHBondContact O-CB 3.47Å; A975-K978 PolarHBondContact O-N 3.4Å; Q976-K978 VanDerWaalsContact C-N 3.34Å; K978-I980 PolarHBondContact O-N 3.41Å; K978-M981 WeakPolarHBondContact O-CA 3.06Å; K978-M981 WeakPolarHBondContact O-CB 3.48Å; K978-M981 PolarHBondContact O-N 2.88Å; K978-D982 IonicContact NZ-OD1 2.67Å; K978-D982 PolarHBondContact NZ-OD1 2.85Å; K978-D982 IonicContact NZ-OD2 2.74Å; K978-D982 PolarHBondContact NZ-OD2 3.16Å; K978-D982 PolarHBondContact O-N 3.07Å; K978-I988 HydrophobicContact CD-CD1 4.21Å; K978-I988 HydrophobicContact CG-CD1 3.41Å; K978-I988 VanDerWaalsContact CG-CD1 3.41Å
979	D	90.6	Very high	89.3	Confident	78 Å²	78	66.5 Å²	66.5	42%	0.417	32%	0.321	S	S	.	.	H	α-helix	trans	-59.8	-36.9	-179.6	-57.9	-31.4	0	0	0	111.1	A975 Q976 Q983	A975-D979 PolarHBondContact O-N 2.98Å; Q976-D979 PolarHBondContact O-N 3.05Å; D979-Q983 WeakPolarHBondContact O-CB 3.43Å; D979-Q983 WeakPolarHBondContact O-CG 3.13Å; D979-Q983 PolarHBondContact O-N 2.9Å; D979-Q983 PolarHBondContact O-NE2 3.18Å
980	I	88.8	Confident	89.6	Confident	25 Å²	25	66.4 Å²	66.4	13%	0.128	33%	0.328	C	S	.	.	H	α-helix	trans	-70.9	-40	173.6	-62.9	164	0	0	0	111.4	E877 F878 P879 Q976 L977 K978 Q983 Q984	E877-I980 HydrophobicContact CB-CG2 4.46Å; F878-I980 HydrophobicContact CD1-CB 4.49Å; F878-I980 HydrophobicContact CD1-CG2 3.92Å; F878-I980 HydrophobicContact CE1-CB 3.99Å; F878-I980 HydrophobicContact CE1-CG2 3.47Å; F878-I980 VanDerWaalsContact CE1-CG2 3.47Å; F878-I980 HydrophobicContact CZ-CG2 3.83Å; P879-I980 HydrophobicContact CG-CD1 4.42Å; Q976-I980 VanDerWaalsContact O-CG1 3.31Å; Q976-I980 WeakPolarHBondContact O-CG1 3.38Å; Q976-I980 PolarHBondContact O-N 3.32Å; L977-I980 PolarHBondContact O-N 3.28Å; K978-I980 PolarHBondContact O-N 3.41Å; I980-Q983 PolarHBondContact O-N 3.15Å; I980-Q984 HydrophobicContact CG2-CG 4.38Å; I980-Q984 WeakPolarHBondContact O-CB 3.44Å; I980-Q984 WeakPolarHBondContact O-CG 3.46Å; I980-Q984 PolarHBondContact O-N 2.97Å
981	M	90.6	Very high	89.2	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-62.2	-43.7	174.5	-68.4	-179.8	74.1	0	0	112.1	F878 L888 L901 L977 K978 Q984 K985 M986 I988	F878-M981 HydrophobicContact CE1-CG 4.02Å; F878-M981 HydrophobicContact CZ-CG 4.15Å; L888-M981 HydrophobicContact CD1-SD 4.11Å; L888-M981 HydrophobicContact CD2-CE 4.04Å; L888-M981 HydrophobicContact CD2-CG 3.94Å; L888-M981 HydrophobicContact CD2-SD 3.92Å; L888-M981 HydrophobicContact CG-CE 4.48Å; L888-M981 HydrophobicContact CG-SD 4.14Å; L901-M981 HydrophobicContact CD1-SD 3.89Å; L901-M981 HydrophobicContact CD2-SD 4.03Å; L901-M981 HydrophobicContact CG-SD 4.37Å; L977-M981 VanDerWaalsContact O-CG 3.28Å; L977-M981 WeakPolarHBondContact O-CG 3.45Å; L977-M981 PolarHBondContact O-N 3.37Å; K978-M981 WeakPolarHBondContact O-CA 3.06Å; K978-M981 WeakPolarHBondContact O-CB 3.48Å; K978-M981 PolarHBondContact O-N 2.88Å; M981-Q984 CarbonylContact O-C 3.56Å; M981-Q984 PolarHBondContact O-N 3.35Å; M981-K985 PolarHBondContact O-N 2.92Å; M981-M986 HydrophobicContact CB-CE 4.12Å; M981-M986 HydrophobicContact CE-CE 4.15Å; M981-M986 HydrophobicContact CG-CE 3.73Å; M981-M986 PolarHBondContact O-N 2.98Å; M981-I988 HydrophobicContact CB-CD1 4.25Å; M981-I988 HydrophobicContact CE-CG1 4.15Å
982	D	91.2	Very high	88.7	Confident	74 Å²	74	63.8 Å²	63.8	40%	0.396	34%	0.336	S	S	.	.	H	α-helix	trans	-63.7	-40.7	176.3	-66.3	-17.2	0	0	0	110.6	K978 K985 I988	K978-D982 IonicContact NZ-OD1 2.67Å; K978-D982 PolarHBondContact NZ-OD1 2.85Å; K978-D982 IonicContact NZ-OD2 2.74Å; K978-D982 PolarHBondContact NZ-OD2 3.16Å; K978-D982 PolarHBondContact O-N 3.07Å; D982-K985 PolarHBondContact O-N 3.16Å; D982-K985 VanDerWaalsContact O-N 3.17Å; D982-I988 WeakPolarHBondContact OD1-CD1 3.12Å
983	Q	89	Confident	88.3	Confident	138 Å²	138	62.9 Å²	62.9	65%	0.645	34%	0.336	S	S	*	.	H	α-helix	trans	-63.4	-42.4	174.5	-76.5	164.2	41.4	0	0	112.8	D979 I980 K985	D979-Q983 WeakPolarHBondContact O-CB 3.43Å; D979-Q983 WeakPolarHBondContact O-CG 3.13Å; D979-Q983 PolarHBondContact O-N 2.9Å; D979-Q983 PolarHBondContact O-NE2 3.18Å; I980-Q983 PolarHBondContact O-N 3.15Å; Q983-K985 PolarHBondContact O-N 2.99Å
984	Q	87	Confident	88.2	Confident	82 Å²	82	66.6 Å²	66.6	38%	0.383	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	4.4	175.5	-62.3	-61.7	-22.8	0	0	113.1	I980 M981 M986	I980-Q984 HydrophobicContact CG2-CG 4.38Å; I980-Q984 WeakPolarHBondContact O-CB 3.44Å; I980-Q984 WeakPolarHBondContact O-CG 3.46Å; I980-Q984 PolarHBondContact O-N 2.97Å; M981-Q984 CarbonylContact O-C 3.56Å; M981-Q984 PolarHBondContact O-N 3.35Å; Q984-M986 HydrophobicContact CB-CG 4.47Å; Q984-M986 PolarHBondContact O-N 2.8Å
985	K	88.9	Confident	87.8	Confident	188 Å²	188	70.2 Å²	70.2	82%	0.817	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	40.2	176.9	-51.6	178.7	-175.4	175.3	0	114.1	M981 D982 Q983	M981-K985 PolarHBondContact O-N 2.92Å; D982-K985 PolarHBondContact O-N 3.16Å; D982-K985 VanDerWaalsContact O-N 3.17Å; Q983-K985 PolarHBondContact O-N 2.99Å
986	M	87.6	Confident	87.8	Confident	35 Å²	35	70.7 Å²	70.7	17%	0.172	37%	0.366	C	S	.	.			trans	-94.2	131.4	176.4	-64.6	-165.5	-61.9	0	0	111.9	F878 L888 L889 M981 Q984 I988	F878-M986 HydrophobicContact CE2-CE 4Å; F878-M986 HydrophobicContact CZ-CE 3.5Å; L888-M986 HydrophobicContact CD2-CE 3.75Å; L889-M986 HydrophobicContact CD2-CE 3.94Å; L889-M986 HydrophobicContact CD2-SD 3.56Å; L889-M986 VanDerWaalsContact CD2-SD 3.56Å; M981-M986 HydrophobicContact CB-CE 4.12Å; M981-M986 HydrophobicContact CE-CE 4.15Å; M981-M986 HydrophobicContact CG-CE 3.73Å; M981-M986 PolarHBondContact O-N 2.98Å; Q984-M986 HydrophobicContact CB-CG 4.47Å; Q984-M986 PolarHBondContact O-N 2.8Å; M986-I988 PolarHBondContact O-N 2.85Å
987	D	87.5	Confident	88	Confident	125 Å²	125	69.5 Å²	69.5	67%	0.668	36%	0.363	S	S	*	.			trans	-68.7	124.2	-179	-67.3	-51.6	0	0	0	112.3	L989	D987-L989 HydrophobicContact CB-CG 4.35Å; D987-L989 PolarHBondContact O-N 3.43Å
988	I	88.9	Confident	88	Confident	56 Å²	56	69.4 Å²	69.4	29%	0.287	36%	0.363	S	S	.	.			trans	-93.4	89.6	-179.9	-56	-177.9	0	0	0	109.8	S897 K978 M981 D982 M986	S897-I988 VanDerWaalsContact OG-CA 3.32Å; S897-I988 WeakPolarHBondContact OG-CA 3.4Å; K978-I988 HydrophobicContact CD-CD1 4.21Å; K978-I988 HydrophobicContact CG-CD1 3.41Å; K978-I988 VanDerWaalsContact CG-CD1 3.41Å; M981-I988 HydrophobicContact CB-CD1 4.25Å; M981-I988 HydrophobicContact CE-CG1 4.15Å; D982-I988 WeakPolarHBondContact OD1-CD1 3.12Å; M986-I988 PolarHBondContact O-N 2.85Å
989	L	91	Very high	88.1	Confident	94 Å²	94	66.2 Å²	66.2	49%	0.492	35%	0.348	S	S	.	.			trans	-98.9	150.6	176.7	-56.5	178.3	0	0	0	111.9	S897 E898 D987	S897-L989 PolarHBondContact N-O 3.48Å; S897-L989 PolarHBondContact OG-N 3.49Å; S897-L989 PolarHBondContact OG-O 3.01Å; E898-L989 PolarHBondContact N-O 2.97Å; D987-L989 HydrophobicContact CB-CG 4.35Å; D987-L989 PolarHBondContact O-N 3.43Å
990	S	88.9	Confident	88.1	Confident	60 Å²	60	64.8 Å²	64.8	42%	0.42	34%	0.339	S	S	.	.			trans	-113.4	138.9	173.5	165.4	0	0	0	0	110.2	G895 E899 G992	G895-S990 CarbonylContact O-C 3.58Å; G895-S990 VanDerWaalsContact O-C 3.27Å; E899-S990 VanDerWaalsContact OE1-CB 3.3Å; E899-S990 WeakPolarHBondContact OE1-CB 3.48Å; E899-S990 PolarHBondContact OE1-OG 2.87Å; E899-S990 WeakPolarHBondContact OE2-CA 3.5Å; S990-G992 VanDerWaalsContact C-N 3.29Å; S990-G992 PolarHBondContact O-N 2.8Å; S990-G992 PolarHBondContact OG-N 3.4Å
991	C	82.4	Confident	88.4	Confident	20 Å²	20	63.6 Å²	63.6	14%	0.135	33%	0.332	C	S	.	.			trans	-86.8	9.7	176.8	65.6	0	0	0	0	114.1	G895 C896 E899 T993 D994 V997 V998	G895-C991 PolarHBondContact O-N 3.04Å; C896-C991 HydrophobicContact CB-CB 3.81Å; E899-C991 PolarHBondContact OE2-N 3.11Å; E899-C991 VanDerWaalsContact OE2-N 3.12Å; E899-C991 PolarHBondContact OE2-SG 3.45Å; C991-T993 PolarHBondContact O-N 2.91Å; C991-D994 PolarHBondContact O-N 3.48Å; C991-V997 HydrophobicContact CB-CB 4.44Å; C991-V998 WeakPolarHBondContact SG-CG2 3.34Å
992	G	81.2	Confident	88.5	Confident	48 Å²	48	63.7 Å²	63.7	50%	0.495	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	-90	174.3	0	0	0	0	0	114.1	S990	S990-G992 VanDerWaalsContact C-N 3.29Å; S990-G992 PolarHBondContact O-N 2.8Å; S990-G992 PolarHBondContact OG-N 3.4Å
993	T	78	Confident	88.6	Confident	66 Å²	66	60.1 Å²	60.1	41%	0.405	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.5	9.8	177.4	81.1	0	0	0	0	113.8	R293 C991 W995	R293-T993 PolarHBondContact NE-OG1 3.08Å; R293-T993 PolarHBondContact NH1-OG1 3.23Å; R293-T993 PolarHBondContact NH2-OG1 2.84Å; C991-T993 PolarHBondContact O-N 2.91Å; T993-W995 VanDerWaalsContact C-N 3.26Å; T993-W995 PolarHBondContact O-N 3.18Å
994	D	84.7	Confident	88.7	Confident	82 Å²	82	53.9 Å²	53.9	44%	0.439	29%	0.286	S	S	.	.			trans	-87.1	72.2	-177	-65.2	-28.2	0	0	0	110	R293 C991 D996 V997	R293-D994 IonicContact CZ-OD1 2.61Å; R293-D994 IonicContact NE-OD1 3.17Å; R293-D994 PolarHBondContact NE-OD1 3.04Å; R293-D994 IonicContact NH2-OD1 2.81Å; R293-D994 PolarHBondContact NH2-OD1 3.38Å; R293-D994 IonicContact NH2-OD2 3.9Å; R293-D994 PolarHBondContact NH2-OD2 2.98Å; R293-D994 VanDerWaalsContact NH2-OD2 3.07Å; C991-D994 PolarHBondContact O-N 3.48Å; D994-D996 PolarHBondContact O-N 2.88Å; D994-V997 HydrophobicContact CB-CG2 4.21Å; D994-V997 WeakPolarHBondContact O-CB 3.49Å; D994-V997 WeakPolarHBondContact O-CG2 3.44Å; D994-V997 PolarHBondContact O-N 3.27Å
995	W	85.7	Confident	88.8	Confident	105 Å²	105	50 Å²	50	40%	0.398	27%	0.267	S	S	.	.	H	α-helix	trans	-53.1	-25.4	-173.2	-58	124	0	0	0	114.6	L938 L941 T993 V997 V998 R999	L938-W995 HydrophobicContact CD1-CB 3.81Å; L938-W995 HydrophobicContact CD1-CD2 4.42Å; L938-W995 HydrophobicContact CD1-CE3 4.5Å; L938-W995 HydrophobicContact CD1-CG 4.18Å; L938-W995 HydrophobicContact CD2-CD2 4.3Å; L938-W995 HydrophobicContact CD2-CE3 3.59Å; L938-W995 HydrophobicContact CD2-CZ3 4.16Å; L941-W995 HydrophobicContact CD2-CE3 4.39Å; L941-W995 HydrophobicContact CD2-CH2 4.43Å; L941-W995 HydrophobicContact CD2-CZ3 3.63Å; T993-W995 VanDerWaalsContact C-N 3.26Å; T993-W995 PolarHBondContact O-N 3.18Å; W995-V997 VanDerWaalsContact C-N 3.27Å; W995-V997 PolarHBondContact O-N 3.3Å; W995-V998 HydrophobicContact CE3-CG2 4.47Å; W995-V998 WeakPolarHBondContact O-CB 3.37Å; W995-V998 PolarHBondContact O-N 2.73Å; W995-V998 VanDerWaalsContact O-N 3.12Å; W995-R999 WeakPolarHBondContact O-CG 3.26Å; W995-R999 PolarHBondContact O-N 3.21Å
996	D	90.1	Very high	89	Confident	55 Å²	55	41.1 Å²	41.1	29%	0.294	23%	0.229	S	C	.	.	H	α-helix	trans	-68.6	-26.5	179.5	-61.4	-22.1	0	0	0	112.3	D994 R999 K1000 W1069	D994-D996 PolarHBondContact O-N 2.88Å; D996-R999 PolarHBondContact O-N 3.33Å; D996-R999 IonicContact OD1-CZ 2.78Å; D996-R999 IonicContact OD1-NE 3.99Å; D996-R999 PolarHBondContact OD1-NE 3.09Å; D996-R999 IonicContact OD1-NH2 2.77Å; D996-R999 PolarHBondContact OD1-NH2 2.91Å; D996-K1000 WeakPolarHBondContact O-CB 3.21Å; D996-K1000 WeakPolarHBondContact O-CG 3.32Å; D996-K1000 PolarHBondContact O-N 2.74Å; D996-W1069 HydrophobicContact CB-CH2 4.04Å; D996-W1069 HydrophobicContact CB-CZ2 4.39Å
997	V	91.9	Very high	89	Confident	43 Å²	43	39.9 Å²	39.9	26%	0.261	22%	0.222	S	C	.	.	H	α-helix	trans	-64.8	-43.5	169.8	-174.8	0	0	0	0	110.3	M894 C896 C991 D994 W995 K1000 C1001	M894-V997 HydrophobicContact CB-CG1 4.04Å; M894-V997 VanDerWaalsContact O-CG1 3.24Å; M894-V997 WeakPolarHBondContact O-CG1 3.41Å; C896-V997 HydrophobicContact CB-CG1 3.92Å; C991-V997 HydrophobicContact CB-CB 4.44Å; D994-V997 HydrophobicContact CB-CG2 4.21Å; D994-V997 WeakPolarHBondContact O-CB 3.49Å; D994-V997 WeakPolarHBondContact O-CG2 3.44Å; D994-V997 PolarHBondContact O-N 3.27Å; W995-V997 VanDerWaalsContact C-N 3.27Å; W995-V997 PolarHBondContact O-N 3.3Å; V997-K1000 PolarHBondContact O-N 3.45Å; V997-C1001 WeakPolarHBondContact O-CB 3.45Å; V997-C1001 PolarHBondContact O-N 3.2Å
998	V	92.4	Very high	88.9	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-64.1	-42.2	174.9	-170	0	0	0	0	110.6	C896 E899 I900 I903 L938 C991 W995 C1001 V1002	C896-V998 HydrophobicContact CB-CG2 4.26Å; E899-V998 HydrophobicContact CB-CG2 4.05Å; E899-V998 HydrophobicContact CG-CG2 4.25Å; I900-V998 HydrophobicContact CD1-CG1 3.75Å; I900-V998 HydrophobicContact CG1-CG1 4.35Å; I903-V998 HydrophobicContact CD1-CG1 3.58Å; L938-V998 HydrophobicContact CD2-CB 4.12Å; L938-V998 HydrophobicContact CD2-CG1 3.88Å; L938-V998 HydrophobicContact CD2-CG2 4.48Å; C991-V998 WeakPolarHBondContact SG-CG2 3.34Å; W995-V998 HydrophobicContact CE3-CG2 4.47Å; W995-V998 WeakPolarHBondContact O-CB 3.37Å; W995-V998 PolarHBondContact O-N 2.73Å; W995-V998 VanDerWaalsContact O-N 3.12Å; V998-C1001 PolarHBondContact O-N 3.41Å; V998-V1002 WeakPolarHBondContact O-CG2 3.49Å; V998-V1002 PolarHBondContact O-N 3.25Å
999	R	92.8	Very high	88.9	Confident	15 Å²	15	33 Å²	33	6%	0.057	19%	0.186	C	C	.	.	H	α-helix	trans	-65.5	-42.7	177	-65.1	-162.3	-73.9	176.3	-23.1	112.6	E934 L938 W995 D996 C1001 V1002 C1003 T1063 A1064 W1069	E934-R999 IonicContact OE2-CZ 3.92Å; E934-R999 IonicContact OE2-NH1 2.73Å; E934-R999 PolarHBondContact OE2-NH1 2.96Å; E934-R999 IonicContact OE2-NH2 3.17Å; E934-R999 PolarHBondContact OE2-NH2 2.83Å; L938-R999 HydrophobicContact CD1-CG 4.34Å; W995-R999 WeakPolarHBondContact O-CG 3.26Å; W995-R999 PolarHBondContact O-N 3.21Å; D996-R999 PolarHBondContact O-N 3.33Å; D996-R999 IonicContact OD1-CZ 2.78Å; D996-R999 IonicContact OD1-NE 3.99Å; D996-R999 PolarHBondContact OD1-NE 3.09Å; D996-R999 IonicContact OD1-NH2 2.77Å; D996-R999 PolarHBondContact OD1-NH2 2.91Å; R999-C1001 VanDerWaalsContact C-N 3.35Å; R999-V1002 PolarHBondContact O-N 3Å; R999-C1003 WeakPolarHBondContact O-CB 3.35Å; R999-C1003 PolarHBondContact O-N 2.93Å; R999-T1063 HydrophobicContact CB-CG2 4.27Å; R999-T1063 HydrophobicContact CG-CG2 4.02Å; R999-A1064 PolarHBondContact NH1-O 3.5Å; R999-A1064 VanDerWaalsContact NH1-O 3.13Å; R999-W1069 HydrophobicContact CB-CH2 4.38Å; R999-W1069 HydrophobicContact CB-CZ3 3.66Å
1000	K	92.3	Very high	88.9	Confident	49 Å²	49	28.6 Å²	28.6	21%	0.213	16%	0.163	C	C	.	.	H	α-helix	trans	-60.2	-42.3	171.1	-80	-163	176.8	-151.7	0	111.6	D996 V997 C1003 S1004 W1069 E1072 L1073	D996-K1000 WeakPolarHBondContact O-CB 3.21Å; D996-K1000 WeakPolarHBondContact O-CG 3.32Å; D996-K1000 PolarHBondContact O-N 2.74Å; V997-K1000 PolarHBondContact O-N 3.45Å; K1000-C1003 WeakPolarHBondContact O-CB 3.26Å; K1000-C1003 PolarHBondContact O-N 2.68Å; K1000-S1004 PolarHBondContact O-N 3.35Å; K1000-W1069 HydrophobicContact CD-CD2 4.43Å; K1000-W1069 HydrophobicContact CD-CG 4.44Å; K1000-W1069 VanDerWaalsContact CE-CD1 3.46Å; K1000-W1069 HydrophobicContact CG-CD2 3.68Å; K1000-W1069 HydrophobicContact CG-CE3 3.79Å; K1000-W1069 HydrophobicContact CG-CG 4Å; K1000-W1069 HydrophobicContact CG-CZ3 4.34Å; K1000-E1072 VanDerWaalsContact NZ-CD 3.26Å; K1000-E1072 IonicContact NZ-OE1 3.32Å; K1000-E1072 PolarHBondContact NZ-OE1 3.43Å; K1000-E1072 IonicContact NZ-OE2 3.55Å; K1000-E1072 PolarHBondContact NZ-OE2 3.15Å; K1000-L1073 HydrophobicContact CB-CD1 4.18Å; K1000-L1073 HydrophobicContact CG-CD1 4.45Å; K1000-L1073 VanDerWaalsContact O-CD1 3.26Å; K1000-L1073 WeakPolarHBondContact O-CD1 3.43Å
1001	C	93.6	Very high	89	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.1	-46	176.4	-174.2	0	0	0	0	112.2	M887 I900 V997 V998 R999 C1003 S1004 A1005	M887-C1001 PolarHBondContact O-SG 3.49Å; M887-C1001 VanDerWaalsContact O-SG 3.36Å; I900-C1001 HydrophobicContact CD1-CB 3.96Å; I900-C1001 HydrophobicContact CG1-CB 4.21Å; V997-C1001 WeakPolarHBondContact O-CB 3.45Å; V997-C1001 PolarHBondContact O-N 3.2Å; V998-C1001 PolarHBondContact O-N 3.41Å; R999-C1001 VanDerWaalsContact C-N 3.35Å; C1001-C1003 VanDerWaalsContact C-N 3.31Å; C1001-C1003 PolarHBondContact O-N 2.89Å; C1001-S1004 WeakPolarHBondContact O-CB 3.36Å; C1001-S1004 PolarHBondContact O-N 3.43Å; C1001-S1004 VanDerWaalsContact O-N 3.13Å; C1001-S1004 PolarHBondContact O-OG 2.87Å; C1001-A1005 PolarHBondContact O-N 3.28Å
1002	V	93.5	Very high	89.4	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-58.6	-42.8	172.9	173.5	0	0	0	0	111.2	M887 I900 H937 V998 R999 S1004 A1005 Y1006	M887-V1002 HydrophobicContact SD-CB 4.25Å; M887-V1002 HydrophobicContact SD-CG2 3.82Å; I900-V1002 HydrophobicContact CD1-CG2 4.12Å; H937-V1002 HydrophobicContact CB-CG2 4.45Å; V998-V1002 WeakPolarHBondContact O-CG2 3.49Å; V998-V1002 PolarHBondContact O-N 3.25Å; R999-V1002 PolarHBondContact O-N 3Å; V1002-S1004 PolarHBondContact O-N 2.9Å; V1002-A1005 PolarHBondContact O-N 3.45Å; V1002-Y1006 HydrophobicContact CG1-CD2 4.3Å; V1002-Y1006 PolarHBondContact O-N 2.86Å
1003	C	92.8	Very high	89.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.9	-41.4	174.6	-175.5	0	0	0	0	112.5	R999 K1000 C1001 A1005 Y1006 F1007 V1065 L1073	R999-C1003 WeakPolarHBondContact O-CB 3.35Å; R999-C1003 PolarHBondContact O-N 2.93Å; K1000-C1003 WeakPolarHBondContact O-CB 3.26Å; K1000-C1003 PolarHBondContact O-N 2.68Å; C1001-C1003 VanDerWaalsContact C-N 3.31Å; C1001-C1003 PolarHBondContact O-N 2.89Å; C1003-A1005 PolarHBondContact O-N 2.93Å; C1003-A1005 VanDerWaalsContact O-N 3.16Å; C1003-Y1006 PolarHBondContact O-N 2.89Å; C1003-F1007 WeakPolarHBondContact O-CB 3.45Å; C1003-F1007 WeakPolarHBondContact O-CD1 3.5Å; C1003-F1007 PolarHBondContact O-N 3.19Å; C1003-V1065 HydrophobicContact CB-CG1 4.09Å; C1003-V1065 HydrophobicContact CB-CG2 4.41Å; C1003-L1073 HydrophobicContact CB-CD1 3.97Å
1004	S	91	Very high	90.2	Very high	7 Å²	7	32 Å²	32	5%	0.049	15%	0.148	C	C	.	.	H	α-helix	trans	-63.3	-20.2	-178.9	78.7	0	0	0	0	114.5	K886 V890 K1000 C1001 V1002 F1007	K886-S1004 WeakPolarHBondContact CE-O 3.43Å; V890-S1004 WeakPolarHBondContact CG1-OG 3.39Å; K1000-S1004 PolarHBondContact O-N 3.35Å; C1001-S1004 WeakPolarHBondContact O-CB 3.36Å; C1001-S1004 PolarHBondContact O-N 3.43Å; C1001-S1004 VanDerWaalsContact O-N 3.13Å; C1001-S1004 PolarHBondContact O-OG 2.87Å; V1002-S1004 PolarHBondContact O-N 2.9Å; S1004-F1007 WeakPolarHBondContact O-CD1 3.26Å; S1004-F1007 VanDerWaalsContact O-CE1 3.31Å; S1004-F1007 WeakPolarHBondContact O-CE1 3.31Å
1005	A	90.4	Very high	90	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-96	-44.9	173.4	0	0	0	0	0	112.1	T883 M887 C1001 V1002 C1003 H1008	T883-A1005 WeakPolarHBondContact O-CB 3.19Å; M887-A1005 HydrophobicContact CB-CB 3.61Å; M887-A1005 HydrophobicContact CG-CB 4.01Å; M887-A1005 HydrophobicContact SD-CB 4.44Å; C1001-A1005 PolarHBondContact O-N 3.28Å; V1002-A1005 PolarHBondContact O-N 3.45Å; C1003-A1005 PolarHBondContact O-N 2.93Å; C1003-A1005 VanDerWaalsContact O-N 3.16Å; A1005-H1008 PolarHBondContact O-CE1 3.22Å; A1005-H1008 PolarHBondContact O-ND1 3.23Å; A1005-H1008 VanDerWaalsContact O-ND1 3.14Å
1006	Y	91.4	Very high	89.7	Confident	1 Å²	1	33.3 Å²	33.3	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-103.9	14.1	-168.5	-70	-73	0	0	0	115.2	T883 L884 M887 V1002 C1003 H1008 N1009 V1047 H1049	T883-Y1006 HydrophobicContact CG2-CE1 4.11Å; T883-Y1006 WeakPolarHBondContact OG1-CE1 3.19Å; T883-Y1006 PolarHBondContact OG1-OH 2.94Å; L884-Y1006 VanDerWaalsContact CD2-OH 3.26Å; L884-Y1006 WeakPolarHBondContact CD2-OH 3.47Å; L884-Y1006 WeakPolarHBondContact CG-OH 3.35Å; M887-Y1006 HydrophobicContact CE-CE2 4.43Å; M887-Y1006 HydrophobicContact SD-CD2 4.22Å; M887-Y1006 HydrophobicContact SD-CE2 3.92Å; V1002-Y1006 HydrophobicContact CG1-CD2 4.3Å; V1002-Y1006 PolarHBondContact O-N 2.86Å; C1003-Y1006 PolarHBondContact O-N 2.89Å; Y1006-H1008 PolarHBondContact O-N 2.9Å; Y1006-N1009 HydrophobicContact CD1-CB 4.47Å; Y1006-N1009 CarbonylContact O-C 3.54Å; Y1006-N1009 VanDerWaalsContact O-C 3.3Å; Y1006-N1009 WeakPolarHBondContact O-CA 3.08Å; Y1006-N1009 PolarHBondContact O-N 3.08Å; Y1006-V1047 HydrophobicContact CG-CG1 4.45Å; Y1006-V1047 WeakPolarHBondContact O-CG1 3.46Å; Y1006-H1049 AromaticContact CE1-ND1 3.85Å; Y1006-H1049 AromaticContact CZ-ND1 3.39Å; Y1006-H1049 PolarHBondContact OH-CE1 3.3Å; Y1006-H1049 VanDerWaalsContact OH-CE1 3.28Å; Y1006-H1049 PolarHBondContact OH-ND1 2.82Å; Y1006-H1049 VanDerWaalsContact OH-ND1 3.09Å
1007	F	87.9	Confident	89	Confident	9 Å²	9	32.1 Å²	32.1	4%	0.039	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-52.7	-27.9	175.3	62	-93.3	0	0	0	113.8	T858 C1003 S1004 N1009 A1010 L1070 F1077 Y1078	T858-F1007 WeakPolarHBondContact O-CZ 3.41Å; C1003-F1007 WeakPolarHBondContact O-CB 3.45Å; C1003-F1007 WeakPolarHBondContact O-CD1 3.5Å; C1003-F1007 PolarHBondContact O-N 3.19Å; S1004-F1007 WeakPolarHBondContact O-CD1 3.26Å; S1004-F1007 VanDerWaalsContact O-CE1 3.31Å; S1004-F1007 WeakPolarHBondContact O-CE1 3.31Å; F1007-N1009 VanDerWaalsContact C-N 3.3Å; F1007-A1010 WeakPolarHBondContact O-CB 3.43Å; F1007-L1070 HydrophobicContact CB-CD2 3.98Å; F1007-F1077 AromaticContact CD2-CD2 3.98Å; F1007-F1077 HydrophobicContact CD2-CD2 3.98Å; F1007-F1077 AromaticContact CE2-CD2 3.67Å; F1007-F1077 HydrophobicContact CE2-CD2 3.67Å; F1007-F1077 AromaticContact CE2-CE2 3.88Å; F1007-F1077 HydrophobicContact CE2-CE2 3.88Å; F1007-Y1078 HydrophobicContact CB-CE2 4.2Å; F1007-Y1078 HydrophobicContact CD2-CE2 4.49Å; F1007-Y1078 VanDerWaalsContact O-CE2 3.24Å; F1007-Y1078 WeakPolarHBondContact O-CE2 3.31Å; F1007-Y1078 PolarHBondContact O-OH 2.82Å
1008	H	85.7	Confident	88.7	Confident	13 Å²	13	32.8 Å²	32.8	6%	0.06	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-75.9	-16.7	175.8	65.4	-90.5	0	0	0	113.7	A1005 Y1006	A1005-H1008 PolarHBondContact O-CE1 3.22Å; A1005-H1008 PolarHBondContact O-ND1 3.23Å; A1005-H1008 VanDerWaalsContact O-ND1 3.14Å; Y1006-H1008 PolarHBondContact O-N 2.9Å
1009	N	88.7	Confident	88.6	Confident	25 Å²	25	32.8 Å²	32.8	13%	0.134	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-107.9	50.4	172.2	-77.3	-4.9	0	0	0	109.8	Y1006 F1007 V1047 Y1048 H1049	Y1006-N1009 HydrophobicContact CD1-CB 4.47Å; Y1006-N1009 CarbonylContact O-C 3.54Å; Y1006-N1009 VanDerWaalsContact O-C 3.3Å; Y1006-N1009 WeakPolarHBondContact O-CA 3.08Å; Y1006-N1009 PolarHBondContact O-N 3.08Å; F1007-N1009 VanDerWaalsContact C-N 3.3Å; N1009-V1047 WeakPolarHBondContact O-CA 3.35Å; N1009-Y1048 HydrophobicContact CB-CD1 4.42Å; N1009-Y1048 HydrophobicContact CB-CD2 4Å; N1009-Y1048 HydrophobicContact CB-CE1 4.11Å; N1009-Y1048 HydrophobicContact CB-CE2 3.63Å; N1009-Y1048 HydrophobicContact CB-CG 4.36Å; N1009-Y1048 VanDerWaalsContact CB-O 3.31Å; N1009-Y1048 WeakPolarHBondContact CB-O 3.33Å; N1009-Y1048 WeakPolarHBondContact O-CD1 3.42Å; N1009-Y1048 VanDerWaalsContact O-CE1 3.27Å; N1009-Y1048 WeakPolarHBondContact O-CE1 3.39Å; N1009-Y1048 PolarHBondContact O-N 3.15Å; N1009-H1049 PolarHBondContact ND2-O 3.47Å
1010	A	91.1	Very high	88.5	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	145.1	175.8	0	0	0	0	0	111.6	F1007 L1022 V1046 V1047 L1070	F1007-A1010 WeakPolarHBondContact O-CB 3.43Å; A1010-L1022 HydrophobicContact CB-CD1 3.92Å; A1010-L1022 PolarHBondContact O-N 3.29Å; A1010-V1046 CarbonylContact C-O 3.57Å; A1010-V1046 VanDerWaalsContact CA-O 3.31Å; A1010-V1046 WeakPolarHBondContact CA-O 3.45Å; A1010-V1047 HydrophobicContact CB-CG2 4.13Å; A1010-L1070 HydrophobicContact CB-CD1 4.22Å; A1010-L1070 HydrophobicContact CB-CD2 3.8Å
1011	A	91.6	Very high	88.3	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	149.5	177.8	0	0	0	0	0	111.6	Y1019 V1020 V1046 Y1048 M1059	A1011-Y1019 HydrophobicContact CB-CD1 4.39Å; A1011-V1020 CarbonylContact C-O 3.51Å; A1011-V1020 WeakPolarHBondContact CA-O 3.31Å; A1011-V1020 WeakPolarHBondContact CB-O 3.25Å; A1011-V1046 HydrophobicContact CB-CG2 3.99Å; A1011-V1046 PolarHBondContact N-O 1.92Å; A1011-V1046 PolarHBondContact O-N 2.78Å; A1011-Y1048 HydrophobicContact CB-CE1 4.39Å; A1011-M1059 HydrophobicContact CB-CE 4.49Å; A1011-M1059 HydrophobicContact CB-SD 3.69Å
1012	R	90.6	Very high	87.9	Confident	91 Å²	91	32.5 Å²	32.5	34%	0.343	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	141.4	178.8	-173.3	-176	-179.3	162.9	9.1	110.7	N337 K1014 Y1019 V1020 L1022 D1044 Y1045	N337-R1012 PolarHBondContact OD1-NH1 2.87Å; N337-R1012 PolarHBondContact OD1-NH2 3.12Å; R1012-K1014 PolarHBondContact O-N 3.14Å; R1012-Y1019 VanDerWaalsContact C-CD1 3.44Å; R1012-Y1019 CarbonylContact O-C 3.54Å; R1012-Y1019 VanDerWaalsContact O-CA 3.26Å; R1012-Y1019 WeakPolarHBondContact O-CA 3.29Å; R1012-V1020 PolarHBondContact N-O 2.95Å; R1012-V1020 PolarHBondContact O-N 3.43Å; R1012-L1022 HydrophobicContact CB-CD2 3.81Å; R1012-L1022 HydrophobicContact CB-CG 4.46Å; R1012-D1044 CarbonylContact C-O 3.51Å; R1012-D1044 VanDerWaalsContact CA-O 3.32Å; R1012-D1044 WeakPolarHBondContact CA-O 3.26Å; R1012-Y1045 HydrophobicContact CB-CD1 4.25Å; R1012-Y1045 HydrophobicContact CB-CE1 4.07Å; R1012-Y1045 HydrophobicContact CG-CD1 4.31Å; R1012-Y1045 HydrophobicContact CG-CE1 3.9Å
1013	L	89.6	Confident	87.2	Confident	35 Å²	35	34 Å²	34	18%	0.183	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	127.6	171	-175.2	67.7	0	0	0	110.1	G1015 Y1019 T1042 D1044	L1013-G1015 VanDerWaalsContact CD1-O 3.22Å; L1013-G1015 WeakPolarHBondContact CD1-O 3.23Å; L1013-Y1019 HydrophobicContact CB-CD1 4.27Å; L1013-Y1019 HydrophobicContact CB-CE1 3.81Å; L1013-Y1019 HydrophobicContact CD1-CD2 4.25Å; L1013-Y1019 HydrophobicContact CD1-CE1 4.15Å; L1013-Y1019 HydrophobicContact CD1-CE2 3.74Å; L1013-T1042 WeakPolarHBondContact CD2-OG1 3.46Å; L1013-D1044 PolarHBondContact N-O 3Å
1014	K	86.7	Confident	86.6	Confident	140 Å²	140	35.8 Å²	35.8	61%	0.609	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	-32.7	176.9	175.1	180	161.4	-148.2	0	112.5	R1012 E1018 V1020	R1012-K1014 PolarHBondContact O-N 3.14Å; K1014-E1018 WeakPolarHBondContact CD-OE1 3.43Å; K1014-E1018 WeakPolarHBondContact CE-OE1 3.31Å; K1014-E1018 PolarHBondContact N-O 3.22Å; K1014-E1018 IonicContact NZ-OE1 2.67Å; K1014-E1018 PolarHBondContact NZ-OE1 3.33Å; K1014-V1020 HydrophobicContact CB-CG2 3.99Å; K1014-V1020 HydrophobicContact CD-CG2 3.44Å; K1014-V1020 VanDerWaalsContact CD-CG2 3.44Å; K1014-V1020 HydrophobicContact CG-CG2 4.36Å
1015	G	79.9	Confident	86.1	Confident	29 Å²	29	36.2 Å²	36.2	30%	0.299	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	-176.6	179.8	0	0	0	0	0	111.8	L1013 G1017 E1018	L1013-G1015 VanDerWaalsContact CD1-O 3.22Å; L1013-G1015 WeakPolarHBondContact CD1-O 3.23Å; G1015-G1017 PolarHBondContact O-N 2.86Å; G1015-E1018 PolarHBondContact N-O 3.01Å; G1015-E1018 PolarHBondContact O-N 2.68Å; G1015-E1018 VanDerWaalsContact O-N 3.13Å
1016	I	79.9	Confident	85.8	Confident	185 Å²	185	37.9 Å²	37.9	95%	0.949	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	97	-176.2	-56.7	173.3	0	0	0	110.1	E1018	I1016-E1018 VanDerWaalsContact C-N 3.29Å; I1016-E1018 PolarHBondContact O-N 3.31Å
1017	G	75.1	Confident	85.7	Confident	30 Å²	30	40.6 Å²	40.6	31%	0.309	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	1	-176.4	0	0	0	0	0	115.5	G1015 F1029	G1015-G1017 PolarHBondContact O-N 2.86Å; G1017-F1029 WeakPolarHBondContact O-CD1 3.3Å
1018	E	86.3	Confident	85.7	Confident	57 Å²	57	40.1 Å²	40.1	27%	0.266	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118	173.5	-174.1	-175.2	144.7	0	0	109.5	K1014 G1015 I1016 F1029	K1014-E1018 WeakPolarHBondContact CD-OE1 3.43Å; K1014-E1018 WeakPolarHBondContact CE-OE1 3.31Å; K1014-E1018 PolarHBondContact N-O 3.22Å; K1014-E1018 IonicContact NZ-OE1 2.67Å; K1014-E1018 PolarHBondContact NZ-OE1 3.33Å; G1015-E1018 PolarHBondContact N-O 3.01Å; G1015-E1018 PolarHBondContact O-N 2.68Å; G1015-E1018 VanDerWaalsContact O-N 3.13Å; I1016-E1018 VanDerWaalsContact C-N 3.29Å; I1016-E1018 PolarHBondContact O-N 3.31Å; E1018-F1029 HydrophobicContact CB-CE1 4.28Å; E1018-F1029 HydrophobicContact CG-CE1 4.34Å
1019	Y	90.2	Very high	85.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	162.7	170.6	-77.8	-99	0	0	0	109.9	A1011 R1012 L1013 P1027 C1028 L1030 P1043 V1046 M1059	A1011-Y1019 HydrophobicContact CB-CD1 4.39Å; R1012-Y1019 VanDerWaalsContact C-CD1 3.44Å; R1012-Y1019 CarbonylContact O-C 3.54Å; R1012-Y1019 VanDerWaalsContact O-CA 3.26Å; R1012-Y1019 WeakPolarHBondContact O-CA 3.29Å; L1013-Y1019 HydrophobicContact CB-CD1 4.27Å; L1013-Y1019 HydrophobicContact CB-CE1 3.81Å; L1013-Y1019 HydrophobicContact CD1-CD2 4.25Å; L1013-Y1019 HydrophobicContact CD1-CE1 4.15Å; L1013-Y1019 HydrophobicContact CD1-CE2 3.74Å; Y1019-P1027 WeakPolarHBondContact O-CA 3.34Å; Y1019-C1028 CarbonylContact C-O 3.51Å; Y1019-C1028 WeakPolarHBondContact CA-O 3.33Å; Y1019-C1028 PolarHBondContact N-O 2.77Å; Y1019-C1028 PolarHBondContact O-N 2.8Å; Y1019-C1028 VanDerWaalsContact O-O 3.07Å; Y1019-L1030 HydrophobicContact CD2-CD1 4.4Å; Y1019-L1030 HydrophobicContact CD2-CG 4.06Å; Y1019-L1030 HydrophobicContact CE2-CD1 3.68Å; Y1019-L1030 HydrophobicContact CE2-CD2 4.35Å; Y1019-L1030 HydrophobicContact CE2-CG 3.81Å; Y1019-P1043 WeakPolarHBondContact CE1-O 3.36Å; Y1019-P1043 PolarHBondContact OH-O 2.86Å; Y1019-V1046 HydrophobicContact CD1-CG2 3.62Å; Y1019-V1046 HydrophobicContact CE1-CB 4.34Å; Y1019-V1046 HydrophobicContact CE1-CG1 3.79Å; Y1019-V1046 HydrophobicContact CE1-CG2 3.65Å; Y1019-V1046 HydrophobicContact CG-CG2 4.41Å; Y1019-M1059 HydrophobicContact CD1-CE 4.42Å; Y1019-M1059 HydrophobicContact CD2-CE 3.97Å; Y1019-M1059 HydrophobicContact CG-CE 3.72Å
1020	V	89.9	Confident	85.9	Confident	28 Å²	28	41.1 Å²	41.1	17%	0.17	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	129.6	172.7	172.8	0	0	0	0	109.5	A1011 R1012 K1014 L1022 G1025 M1026	A1011-V1020 CarbonylContact C-O 3.51Å; A1011-V1020 WeakPolarHBondContact CA-O 3.31Å; A1011-V1020 WeakPolarHBondContact CB-O 3.25Å; R1012-V1020 PolarHBondContact N-O 2.95Å; R1012-V1020 PolarHBondContact O-N 3.43Å; K1014-V1020 HydrophobicContact CB-CG2 3.99Å; K1014-V1020 HydrophobicContact CD-CG2 3.44Å; K1014-V1020 VanDerWaalsContact CD-CG2 3.44Å; K1014-V1020 HydrophobicContact CG-CG2 4.36Å; V1020-L1022 PolarHBondContact O-N 3.16Å; V1020-G1025 VanDerWaalsContact CG1-C 3.49Å; V1020-M1026 CarbonylContact C-O 3.58Å; V1020-M1026 WeakPolarHBondContact CA-O 3.3Å
1021	N	88.2	Confident	85.7	Confident	2 Å²	2	43 Å²	43	1%	0.011	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	127.3	173.9	175.4	-57.5	0	0	0	110	R1023 T1024 G1025 M1026 Y1048	N1021-R1023 VanDerWaalsContact C-N 3.32Å; N1021-R1023 PolarHBondContact O-N 3.43Å; N1021-R1023 WeakPolarHBondContact OD1-CA 3.43Å; N1021-R1023 PolarHBondContact OD1-N 3.14Å; N1021-T1024 WeakPolarHBondContact CB-OG1 3.47Å; N1021-T1024 VanDerWaalsContact CG-OG1 3.26Å; N1021-T1024 PolarHBondContact OD1-N 2.8Å; N1021-T1024 PolarHBondContact OD1-OG1 3.35Å; N1021-G1025 WeakPolarHBondContact O-CA 3.39Å; N1021-G1025 PolarHBondContact O-N 3.06Å; N1021-M1026 PolarHBondContact N-O 3.18Å; N1021-Y1048 PolarHBondContact ND2-OH 3.14Å
1022	L	85.8	Confident	85.3	Confident	28 Å²	28	46 Å²	46	15%	0.147	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-33.5	-173.8	-77.2	178.3	0	0	0	113.9	V340 A1010 R1012 V1020 Y1045 L1070 Y1078	V340-L1022 HydrophobicContact CG2-CB 4.24Å; V340-L1022 HydrophobicContact CG2-CD2 4.22Å; A1010-L1022 HydrophobicContact CB-CD1 3.92Å; A1010-L1022 PolarHBondContact O-N 3.29Å; R1012-L1022 HydrophobicContact CB-CD2 3.81Å; R1012-L1022 HydrophobicContact CB-CG 4.46Å; V1020-L1022 PolarHBondContact O-N 3.16Å; L1022-Y1045 HydrophobicContact CD1-CD1 4.09Å; L1022-Y1045 HydrophobicContact CD1-CE1 4.06Å; L1022-Y1045 HydrophobicContact CD2-CE1 4.17Å; L1022-L1070 HydrophobicContact CD1-CD1 4.37Å; L1022-Y1078 HydrophobicContact CB-CE1 3.92Å; L1022-Y1078 HydrophobicContact CD1-CD1 4.33Å; L1022-Y1078 HydrophobicContact CD1-CE1 3.64Å; L1022-Y1078 HydrophobicContact CG-CE1 4.4Å
1023	R	78.9	Confident	84.8	Confident	32 Å²	32	44.6 Å²	44.6	12%	0.121	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-37.9	-175.6	-174.2	-178.9	64.9	-170.9	-4.4	112.8	N1021 F1077	N1021-R1023 VanDerWaalsContact C-N 3.32Å; N1021-R1023 PolarHBondContact O-N 3.43Å; N1021-R1023 WeakPolarHBondContact OD1-CA 3.43Å; N1021-R1023 PolarHBondContact OD1-N 3.14Å; R1023-F1077 HydrophobicContact CG-CE1 4.44Å
1024	T	79.6	Confident	84.5	Confident	39 Å²	39	43.1 Å²	43.1	24%	0.239	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-16.1	-173.6	63.7	0	0	0	0	114.1	N1021 M1026	N1021-T1024 WeakPolarHBondContact CB-OG1 3.47Å; N1021-T1024 VanDerWaalsContact CG-OG1 3.26Å; N1021-T1024 PolarHBondContact OD1-N 2.8Å; N1021-T1024 PolarHBondContact OD1-OG1 3.35Å; T1024-M1026 PolarHBondContact O-N 2.92Å; T1024-M1026 WeakPolarHBondContact OG1-CB 3.44Å; T1024-M1026 PolarHBondContact OG1-N 3.42Å
1025	G	81.3	Confident	84.2	Confident	16 Å²	16	36.7 Å²	36.7	17%	0.165	22%	0.215	C	C	.	.			trans	67.6	9.7	-171.3	0	0	0	0	0	113.8	V1020 N1021	V1020-G1025 VanDerWaalsContact CG1-C 3.49Å; N1021-G1025 WeakPolarHBondContact O-CA 3.39Å; N1021-G1025 PolarHBondContact O-N 3.06Å
1026	M	83.4	Confident	84.3	Confident	34 Å²	34	35.4 Å²	35.4	17%	0.167	20%	0.202	C	C	.	.			trans	-75.5	134.4	-178.6	-168	176.3	-165.9	0	0	111.2	I764 V1020 N1021 T1024 E1057	I764-M1026 HydrophobicContact CD1-CE 4.01Å; I764-M1026 HydrophobicContact CD1-SD 3.96Å; I764-M1026 HydrophobicContact CG1-SD 4.33Å; I764-M1026 HydrophobicContact CG2-SD 3.52Å; I764-M1026 VanDerWaalsContact CG2-SD 3.52Å; V1020-M1026 CarbonylContact C-O 3.58Å; V1020-M1026 WeakPolarHBondContact CA-O 3.3Å; N1021-M1026 PolarHBondContact N-O 3.18Å; T1024-M1026 PolarHBondContact O-N 2.92Å; T1024-M1026 WeakPolarHBondContact OG1-CB 3.44Å; T1024-M1026 PolarHBondContact OG1-N 3.42Å; M1026-E1057 HydrophobicContact CE-CG 3.59Å; M1026-E1057 VanDerWaalsContact CE-OE1 3.32Å; M1026-E1057 WeakPolarHBondContact CE-OE1 3.34Å; M1026-E1057 HydrophobicContact SD-CG 4.44Å
1027	P	88.9	Confident	84.3	Confident	58 Å²	58	31.8 Å²	31.8	38%	0.377	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	135.6	170.9	29.7	-34.6	0	0	0	110.9	Y1019	Y1019-P1027 WeakPolarHBondContact O-CA 3.34Å
1028	C	88.8	Confident	83.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	148.3	-179.3	-58.6	0	0	0	0	110	Y1019 L1051 M1059	Y1019-C1028 CarbonylContact C-O 3.51Å; Y1019-C1028 WeakPolarHBondContact CA-O 3.33Å; Y1019-C1028 PolarHBondContact N-O 2.77Å; Y1019-C1028 PolarHBondContact O-N 2.8Å; Y1019-C1028 VanDerWaalsContact O-O 3.07Å; C1028-L1051 HydrophobicContact CB-CD1 4.07Å; C1028-M1059 HydrophobicContact CB-CE 4.16Å; C1028-M1059 HydrophobicContact CB-CG 3.83Å; C1028-M1059 HydrophobicContact CB-SD 3.87Å
1029	F	89.7	Confident	82.8	Confident	49 Å²	49	33 Å²	33	22%	0.215	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	148.5	178.7	-60.9	-84.7	0	0	0	110.9	G1017 E1018 H1031 K1056 E1057 Y1058 M1059	G1017-F1029 WeakPolarHBondContact O-CD1 3.3Å; E1018-F1029 HydrophobicContact CB-CE1 4.28Å; E1018-F1029 HydrophobicContact CG-CE1 4.34Å; F1029-H1031 PolarHBondContact O-N 2.67Å; F1029-K1056 HydrophobicContact CD2-CB 4.19Å; F1029-K1056 HydrophobicContact CD2-CD 3.86Å; F1029-K1056 HydrophobicContact CE2-CD 3.83Å; F1029-K1056 HydrophobicContact CG-CD 4.46Å; F1029-K1056 HydrophobicContact CZ-CD 4.39Å; F1029-E1057 PolarHBondContact N-O 3.1Å; F1029-Y1058 HydrophobicContact CB-CD1 3.72Å; F1029-Y1058 HydrophobicContact CB-CE1 3.81Å; F1029-Y1058 CarbonylContact O-C 3.6Å; F1029-Y1058 WeakPolarHBondContact O-CA 3.41Å; F1029-M1059 PolarHBondContact O-N 2.97Å
1030	L	89	Confident	81.6	Confident	9 Å²	9	37.7 Å²	37.7	5%	0.047	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	130.3	169.2	-71.4	171.7	0	0	0	109.4	Y1019 L1036 F1037 M1059 V1062	Y1019-L1030 HydrophobicContact CD2-CD1 4.4Å; Y1019-L1030 HydrophobicContact CD2-CG 4.06Å; Y1019-L1030 HydrophobicContact CE2-CD1 3.68Å; Y1019-L1030 HydrophobicContact CE2-CD2 4.35Å; Y1019-L1030 HydrophobicContact CE2-CG 3.81Å; L1030-L1036 HydrophobicContact CD1-CB 4.04Å; L1030-L1036 HydrophobicContact CD2-CB 4.4Å; L1030-F1037 HydrophobicContact CB-CD2 4.27Å; L1030-M1059 HydrophobicContact CD2-CE 3.99Å; L1030-M1059 HydrophobicContact CG-CE 4.36Å; L1030-V1062 HydrophobicContact CD2-CB 4.23Å; L1030-V1062 HydrophobicContact CD2-CG1 3.93Å; L1030-V1062 HydrophobicContact CD2-CG2 4Å
1031	H	86.6	Confident	80.6	Confident	40 Å²	40	41.9 Å²	41.9	19%	0.185	26%	0.255	C	S	.	.			trans	-64.7	137.3	175.9	-167.9	-113.6	0	0	0	110.8	F1029 T1033 S1034 Y1058 M1059 Q1060	F1029-H1031 PolarHBondContact O-N 2.67Å; H1031-T1033 PolarHBondContact ND1-OG1 2.94Å; H1031-T1033 PolarHBondContact O-N 2.78Å; H1031-S1034 WeakPolarHBondContact O-CB 3.48Å; H1031-S1034 PolarHBondContact O-N 3.35Å; H1031-Y1058 AromaticContact CD2-CG 3.87Å; H1031-M1059 VanDerWaalsContact CB-O 3.23Å; H1031-M1059 WeakPolarHBondContact CB-O 3.49Å; H1031-M1059 PolarHBondContact N-O 2.88Å; H1031-Q1060 HydrophobicContact CB-CG 3.98Å
1032	P	82.2	Confident	80.1	Confident	63 Å²	63	44.4 Å²	44.4	41%	0.409	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-8.8	-175.4	-27.6	36.5	0	0	0	116.8	F1037	P1032-F1037 HydrophobicContact CB-CD1 4.42Å; P1032-F1037 HydrophobicContact CB-CE1 4.29Å; P1032-F1037 HydrophobicContact CB-CZ 4.37Å; P1032-F1037 HydrophobicContact CG-CE2 4.42Å; P1032-F1037 HydrophobicContact CG-CZ 4.45Å
1033	T	81.2	Confident	80	Confident	63 Å²	63	43.3 Å²	43.3	39%	0.387	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-12.5	174.4	62.4	0	0	0	0	114	H1031	H1031-T1033 PolarHBondContact ND1-OG1 2.94Å; H1031-T1033 PolarHBondContact O-N 2.78Å
1034	S	83.6	Confident	80.4	Confident	4 Å²	4	44.4 Å²	44.4	3%	0.028	27%	0.274	C	S	.	.	S	Bend	trans	-67.4	142.7	-178.7	-176.1	0	0	0	0	111.5	D936 H1031 L1036 F1037	D936-S1034 VanDerWaalsContact CG-OG 3.31Å; D936-S1034 WeakPolarHBondContact OD1-CA 3.49Å; D936-S1034 PolarHBondContact OD1-OG 3.49Å; D936-S1034 VanDerWaalsContact OD2-CB 3.26Å; D936-S1034 WeakPolarHBondContact OD2-CB 3.28Å; D936-S1034 PolarHBondContact OD2-OG 2.87Å; H1031-S1034 WeakPolarHBondContact O-CB 3.48Å; H1031-S1034 PolarHBondContact O-N 3.35Å; S1034-L1036 PolarHBondContact O-N 3.41Å; S1034-L1036 PolarHBondContact OG-N 3.29Å; S1034-F1037 WeakPolarHBondContact O-CB 3.46Å; S1034-F1037 PolarHBondContact O-N 3.07Å
1035	A	80.4	Confident	80.9	Confident	4 Å²	4	43.2 Å²	43.2	3%	0.033	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.7	169.3	0	0	0	0	0	112.4	Q931 D936 F1037 M1039	Q931-A1035 HydrophobicContact CB-CB 3.97Å; Q931-A1035 HydrophobicContact CG-CB 3.9Å; D936-A1035 WeakPolarHBondContact OD1-CB 3.49Å; D936-A1035 PolarHBondContact OD1-N 3.01Å; A1035-F1037 VanDerWaalsContact C-N 3.27Å; A1035-F1037 PolarHBondContact O-N 3.2Å; A1035-M1039 WeakPolarHBondContact O-CE 3.49Å
1036	L	81.9	Confident	81.5	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.01	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-14.2	176.4	-70.2	167.4	0	0	0	113.1	P933 L1030 S1034 M1039 P1043 V1046 V1062	P933-L1036 WeakPolarHBondContact O-CD2 3.5Å; L1030-L1036 HydrophobicContact CD1-CB 4.04Å; L1030-L1036 HydrophobicContact CD2-CB 4.4Å; S1034-L1036 PolarHBondContact O-N 3.41Å; S1034-L1036 PolarHBondContact OG-N 3.29Å; L1036-M1039 HydrophobicContact CD2-CE 3.99Å; L1036-P1043 HydrophobicContact CD2-CG 3.97Å; L1036-V1046 HydrophobicContact CD1-CG1 4.3Å; L1036-V1062 HydrophobicContact CD1-CB 3.96Å; L1036-V1062 HydrophobicContact CD1-CG1 3.67Å
1037	F	78.3	Confident	82	Confident	110 Å²	110	40.9 Å²	40.9	48%	0.482	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	125.9	179.4	-171.6	-92.3	0	0	0	111.7	L1030 P1032 S1034 A1035 M1039	L1030-F1037 HydrophobicContact CB-CD2 4.27Å; P1032-F1037 HydrophobicContact CB-CD1 4.42Å; P1032-F1037 HydrophobicContact CB-CE1 4.29Å; P1032-F1037 HydrophobicContact CB-CZ 4.37Å; P1032-F1037 HydrophobicContact CG-CE2 4.42Å; P1032-F1037 HydrophobicContact CG-CZ 4.45Å; S1034-F1037 WeakPolarHBondContact O-CB 3.46Å; S1034-F1037 PolarHBondContact O-N 3.07Å; A1035-F1037 VanDerWaalsContact C-N 3.27Å; A1035-F1037 PolarHBondContact O-N 3.2Å; F1037-M1039 VanDerWaalsContact C-N 3.33Å; F1037-M1039 PolarHBondContact O-N 3.37Å
1038	G	67.5	Low	82.1	Confident	57 Å²	57	38.4 Å²	38.4	59%	0.588	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.2	13	173.4	0	0	0	0	0	115.9	R55	R55-G1038 PolarHBondContact NH2-O 3.39Å
1039	M	64.1	Low	82.2	Confident	54 Å²	54	40.3 Å²	40.3	27%	0.266	24%	0.241	S	C	.	.			trans	-83.6	149	164.2	-67.6	-160.3	-67.2	0	0	111.2	P933 A1035 L1036 F1037 Y1041	P933-M1039 HydrophobicContact CB-CE 3.81Å; P933-M1039 HydrophobicContact CB-SD 3.73Å; P933-M1039 HydrophobicContact CG-SD 4.33Å; P933-M1039 WeakPolarHBondContact O-CE 3.44Å; A1035-M1039 WeakPolarHBondContact O-CE 3.49Å; L1036-M1039 HydrophobicContact CD2-CE 3.99Å; F1037-M1039 VanDerWaalsContact C-N 3.33Å; F1037-M1039 PolarHBondContact O-N 3.37Å; M1039-Y1041 PolarHBondContact O-N 3.49Å
1040	G	63.7	Low	82	Confident	99 Å²	99	42 Å²	42	100%	1.021	25%	0.25	S	C	*	.	S	Bend	trans	-73.4	12.8	177.9	0	0	0	0	0	115
1041	Y	69.8	Low	81.9	Confident	116 Å²	116	42.2 Å²	42.2	46%	0.455	25%	0.251	S	S	.	.			trans	-136.7	116.1	175.9	171.3	-93.7	0	0	0	107.7	M1039 P1043	M1039-Y1041 PolarHBondContact O-N 3.49Å; Y1041-P1043 HydrophobicContact CE1-CB 4.03Å
1042	T	77.1	Confident	81.6	Confident	55 Å²	55	41.7 Å²	41.7	34%	0.337	25%	0.25	S	S	.	.			trans	-104.5	115.9	173.4	46.1	0	0	0	0	108.3	L1013	L1013-T1042 WeakPolarHBondContact CD2-OG1 3.46Å
1043	P	84.3	Confident	81.5	Confident	5 Å²	5	42 Å²	42	3%	0.032	25%	0.247	C	C	.	.			trans	-66.4	141	177.9	27.7	-35.8	0	0	0	111.4	Y1019 L1036 Y1041 Y1045 V1046 A1064	Y1019-P1043 WeakPolarHBondContact CE1-O 3.36Å; Y1019-P1043 PolarHBondContact OH-O 2.86Å; L1036-P1043 HydrophobicContact CD2-CG 3.97Å; Y1041-P1043 HydrophobicContact CE1-CB 4.03Å; P1043-Y1045 VanDerWaalsContact C-N 3.28Å; P1043-Y1045 PolarHBondContact O-N 3.42Å; P1043-V1046 HydrophobicContact CB-CG1 4.39Å; P1043-V1046 HydrophobicContact CG-CG1 3.56Å; P1043-A1064 HydrophobicContact CB-CB 3.8Å; P1043-A1064 HydrophobicContact CG-CB 3.81Å
1044	D	86.7	Confident	81.1	Confident	56 Å²	56	43.2 Å²	43.2	30%	0.299	25%	0.254	S	S	.	.	S	Bend	trans	-63.1	-33	-178.2	-78.9	-10.9	0	0	0	113	R335 R1012 L1013	R335-D1044 IonicContact NE-OD2 2.86Å; R1012-D1044 CarbonylContact C-O 3.51Å; R1012-D1044 VanDerWaalsContact CA-O 3.32Å; R1012-D1044 WeakPolarHBondContact CA-O 3.26Å; L1013-D1044 PolarHBondContact N-O 3Å
1045	Y	91.3	Very high	80.8	Confident	14 Å²	14	47.9 Å²	47.9	6%	0.055	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136	178.5	-70	-82.6	0	0	0	110.6	V336 L338 R1012 L1022 P1043 V1065 L1070	V336-Y1045 WeakPolarHBondContact O-CE2 3.25Å; V336-Y1045 PolarHBondContact O-OH 3.35Å; L338-Y1045 HydrophobicContact CB-CE1 4.4Å; L338-Y1045 HydrophobicContact CD1-CD1 4.3Å; L338-Y1045 HydrophobicContact CD1-CE1 3.88Å; L338-Y1045 HydrophobicContact CG-CE1 4.28Å; L338-Y1045 PolarHBondContact N-OH 2.86Å; R1012-Y1045 HydrophobicContact CB-CD1 4.25Å; R1012-Y1045 HydrophobicContact CB-CE1 4.07Å; R1012-Y1045 HydrophobicContact CG-CD1 4.31Å; R1012-Y1045 HydrophobicContact CG-CE1 3.9Å; L1022-Y1045 HydrophobicContact CD1-CD1 4.09Å; L1022-Y1045 HydrophobicContact CD1-CE1 4.06Å; L1022-Y1045 HydrophobicContact CD2-CE1 4.17Å; P1043-Y1045 VanDerWaalsContact C-N 3.28Å; P1043-Y1045 PolarHBondContact O-N 3.42Å; Y1045-V1065 WeakPolarHBondContact CB-O 3.38Å; Y1045-V1065 PolarHBondContact O-N 2.86Å; Y1045-L1070 HydrophobicContact CD1-CD1 4.11Å; Y1045-L1070 HydrophobicContact CG-CD1 4.42Å
1046	V	92.6	Very high	80.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	153.3	177.1	-64.2	0	0	0	0	111.6	A1010 A1011 Y1019 L1036 P1043 M1059 V1062 T1063	A1010-V1046 CarbonylContact C-O 3.57Å; A1010-V1046 VanDerWaalsContact CA-O 3.31Å; A1010-V1046 WeakPolarHBondContact CA-O 3.45Å; A1011-V1046 HydrophobicContact CB-CG2 3.99Å; A1011-V1046 PolarHBondContact N-O 1.92Å; A1011-V1046 PolarHBondContact O-N 2.78Å; Y1019-V1046 HydrophobicContact CD1-CG2 3.62Å; Y1019-V1046 HydrophobicContact CE1-CB 4.34Å; Y1019-V1046 HydrophobicContact CE1-CG1 3.79Å; Y1019-V1046 HydrophobicContact CE1-CG2 3.65Å; Y1019-V1046 HydrophobicContact CG-CG2 4.41Å; L1036-V1046 HydrophobicContact CD1-CG1 4.3Å; P1043-V1046 HydrophobicContact CB-CG1 4.39Å; P1043-V1046 HydrophobicContact CG-CG1 3.56Å; V1046-M1059 HydrophobicContact CG2-CE 4.34Å; V1046-M1059 HydrophobicContact CG2-SD 4.43Å; V1046-V1062 HydrophobicContact CB-CG1 3.6Å; V1046-V1062 HydrophobicContact CG1-CG1 3.99Å; V1046-V1062 HydrophobicContact CG2-CG1 4.01Å; V1046-T1063 VanDerWaalsContact CA-O 3.3Å; V1046-T1063 WeakPolarHBondContact CA-O 3.21Å
1047	V	93.6	Very high	81.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.5	172.5	170.4	0	0	0	0	108.5	Y1006 N1009 A1010 V1062 T1063 V1065 L1070	Y1006-V1047 HydrophobicContact CG-CG1 4.45Å; Y1006-V1047 WeakPolarHBondContact O-CG1 3.46Å; N1009-V1047 WeakPolarHBondContact O-CA 3.35Å; A1010-V1047 HydrophobicContact CB-CG2 4.13Å; V1047-V1062 CarbonylContact O-C 3.51Å; V1047-V1062 WeakPolarHBondContact O-CA 3.21Å; V1047-T1063 PolarHBondContact N-O 3.41Å; V1047-T1063 PolarHBondContact O-N 3.49Å; V1047-V1065 HydrophobicContact CB-CG2 3.89Å; V1047-V1065 HydrophobicContact CG2-CB 4.07Å; V1047-V1065 HydrophobicContact CG2-CG1 4.26Å; V1047-V1065 HydrophobicContact CG2-CG2 3.68Å; V1047-L1070 HydrophobicContact CG2-CD2 4.02Å
1048	Y	92.6	Very high	81.5	Confident	6 Å²	6	51.2 Å²	51.2	2%	0.024	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	152.4	-174.8	65	-96.7	0	0	0	112.5	N1009 A1011 N1021 L1051 M1059	N1009-Y1048 HydrophobicContact CB-CD1 4.42Å; N1009-Y1048 HydrophobicContact CB-CD2 4Å; N1009-Y1048 HydrophobicContact CB-CE1 4.11Å; N1009-Y1048 HydrophobicContact CB-CE2 3.63Å; N1009-Y1048 HydrophobicContact CB-CG 4.36Å; N1009-Y1048 VanDerWaalsContact CB-O 3.31Å; N1009-Y1048 WeakPolarHBondContact CB-O 3.33Å; N1009-Y1048 WeakPolarHBondContact O-CD1 3.42Å; N1009-Y1048 VanDerWaalsContact O-CE1 3.27Å; N1009-Y1048 WeakPolarHBondContact O-CE1 3.39Å; N1009-Y1048 PolarHBondContact O-N 3.15Å; A1011-Y1048 HydrophobicContact CB-CE1 4.39Å; N1021-Y1048 PolarHBondContact ND2-OH 3.14Å; Y1048-L1051 HydrophobicContact CE2-CB 3.83Å; Y1048-M1059 HydrophobicContact CD1-CB 4.31Å; Y1048-M1059 HydrophobicContact CD1-CG 3.76Å; Y1048-M1059 HydrophobicContact CD1-SD 3.46Å; Y1048-M1059 WeakPolarHBondContact CD1-SD 3.46Å; Y1048-M1059 HydrophobicContact CD2-CG 4.43Å; Y1048-M1059 HydrophobicContact CE1-CG 4.2Å; Y1048-M1059 HydrophobicContact CE1-SD 3.92Å; Y1048-M1059 HydrophobicContact CG-CB 4.02Å; Y1048-M1059 HydrophobicContact CG-CG 3.91Å; Y1048-M1059 HydrophobicContact CG-SD 4.14Å
1049	H	90.1	Very high	82.6	Confident	41 Å²	41	48.5 Å²	48.5	19%	0.19	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-56.5	178.9	-177.7	60.5	0	0	0	111.8	Y1006 N1009 Q1060 C1061	Y1006-H1049 AromaticContact CE1-ND1 3.85Å; Y1006-H1049 AromaticContact CZ-ND1 3.39Å; Y1006-H1049 PolarHBondContact OH-CE1 3.3Å; Y1006-H1049 VanDerWaalsContact OH-CE1 3.28Å; Y1006-H1049 PolarHBondContact OH-ND1 2.82Å; Y1006-H1049 VanDerWaalsContact OH-ND1 3.09Å; N1009-H1049 PolarHBondContact ND2-O 3.47Å; H1049-Q1060 PolarHBondContact N-O 2.86Å; H1049-C1061 HydrophobicContact CB-CB 3.82Å; H1049-C1061 PolarHBondContact N-O 3.11Å; H1049-C1061 VanDerWaalsContact N-O 3.1Å
1050	E	85.9	Confident	83.7	Confident	84 Å²	84	48.5 Å²	48.5	39%	0.393	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	146.4	-175.7	-170	176.2	-169.6	0	0	110.9	V1052 Q1060	E1050-V1052 HydrophobicContact CB-CG2 4.41Å; E1050-V1052 HydrophobicContact CG-CG2 3.81Å; E1050-Q1060 PolarHBondContact O-N 2.63Å
1051	L	85.9	Confident	84.9	Confident	13 Å²	13	44.9 Å²	44.9	7%	0.068	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	111.4	170.1	-175.8	69.5	0	0	0	108.4	I764 M766 C1028 Y1048 E1057 M1059	I764-L1051 HydrophobicContact CG2-CD2 4.46Å; M766-L1051 HydrophobicContact CG-CD2 4.47Å; M766-L1051 HydrophobicContact SD-CD2 3.88Å; M766-L1051 HydrophobicContact SD-CG 3.97Å; C1028-L1051 HydrophobicContact CB-CD1 4.07Å; Y1048-L1051 HydrophobicContact CE2-CB 3.83Å; L1051-E1057 HydrophobicContact CD1-CB 4.2Å; L1051-M1059 HydrophobicContact CD1-CG 3.81Å
1052	V	81.6	Confident	86	Confident	30 Å²	30	39.4 Å²	39.4	18%	0.182	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.7	-173	-177.4	0	0	0	0	110.5	E1050 T1054 Y1058 Q1060	E1050-V1052 HydrophobicContact CB-CG2 4.41Å; E1050-V1052 HydrophobicContact CG-CG2 3.81Å; V1052-T1054 HydrophobicContact CG1-CG2 4.21Å; V1052-Y1058 PolarHBondContact N-O 2.78Å; V1052-Y1058 PolarHBondContact O-N 2.85Å; V1052-Q1060 HydrophobicContact CB-CG 4.49Å; V1052-Q1060 HydrophobicContact CG2-CG 3.99Å
1053	M	78.6	Confident	86.7	Confident	69 Å²	69	36.8 Å²	36.8	34%	0.34	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	125.8	173.5	-159.1	-179.3	-158	0	0	111.1	M766 A768	M766-M1053 HydrophobicContact CE-CB 3.91Å; M766-M1053 HydrophobicContact CE-CE 4.38Å; M766-M1053 HydrophobicContact CE-CG 4.02Å; M766-M1053 HydrophobicContact CE-SD 3.74Å; M766-M1053 HydrophobicContact SD-CB 3.88Å; M766-M1053 HydrophobicContact SD-CG 4.48Å; A768-M1053 HydrophobicContact CB-CB 4.1Å; A768-M1053 HydrophobicContact CB-SD 4.35Å
1054	T	74.4	Confident	87.1	Confident	88 Å²	88	36.9 Å²	36.9	54%	0.54	20%	0.2	S	C	.	.	S	Bend	trans	-128.6	-112.2	172.6	58.5	0	0	0	0	109.8	V1052 K1056 Y1058	V1052-T1054 HydrophobicContact CG1-CG2 4.21Å; T1054-K1056 VanDerWaalsContact C-N 3.32Å; T1054-K1056 PolarHBondContact N-O 2.92Å; T1054-K1056 PolarHBondContact OG1-O 3.04Å; T1054-Y1058 WeakPolarHBondContact OG1-CD2 3.11Å; T1054-Y1058 WeakPolarHBondContact OG1-CE2 3.31Å
1055	A	75.9	Confident	87.3	Confident	102 Å²	102	34.5 Å²	34.5	84%	0.843	19%	0.188	S	C	*	.	S	Bend	trans	-82.3	-14.7	160.9	0	0	0	0	0	112.4
1056	K	82.1	Confident	87.2	Confident	95 Å²	95	37.5 Å²	37.5	41%	0.413	21%	0.205	S	C	.	.	S	Bend	trans	-148.2	168	171.8	-65.8	-171.7	173.6	-169	0	109.4	F1029 T1054 Y1058	F1029-K1056 HydrophobicContact CD2-CB 4.19Å; F1029-K1056 HydrophobicContact CD2-CD 3.86Å; F1029-K1056 HydrophobicContact CE2-CD 3.83Å; F1029-K1056 HydrophobicContact CG-CD 4.46Å; F1029-K1056 HydrophobicContact CZ-CD 4.39Å; T1054-K1056 VanDerWaalsContact C-N 3.32Å; T1054-K1056 PolarHBondContact N-O 2.92Å; T1054-K1056 PolarHBondContact OG1-O 3.04Å; K1056-Y1058 HydrophobicContact CB-CD2 4.37Å; K1056-Y1058 HydrophobicContact CB-CE2 3.86Å; K1056-Y1058 WeakPolarHBondContact O-CD2 2.52Å
1057	E	86.3	Confident	86.9	Confident	37 Å²	37	37.8 Å²	37.8	17%	0.173	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	107.5	174.5	-57.6	82.3	178.4	0	0	110.2	M766 M1026 F1029 L1051	M766-E1057 HydrophobicContact CE-CG 4.3Å; M766-E1057 HydrophobicContact SD-CG 4.17Å; M1026-E1057 HydrophobicContact CE-CG 3.59Å; M1026-E1057 VanDerWaalsContact CE-OE1 3.32Å; M1026-E1057 WeakPolarHBondContact CE-OE1 3.34Å; M1026-E1057 HydrophobicContact SD-CG 4.44Å; F1029-E1057 PolarHBondContact N-O 3.1Å; L1051-E1057 HydrophobicContact CD1-CB 4.2Å
1058	Y	87.9	Confident	86.6	Confident	54 Å²	54	40.3 Å²	40.3	21%	0.212	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.3	-179.1	-69.2	-74.8	0	0	0	111.9	F1029 H1031 V1052 T1054 K1056	F1029-Y1058 HydrophobicContact CB-CD1 3.72Å; F1029-Y1058 HydrophobicContact CB-CE1 3.81Å; F1029-Y1058 CarbonylContact O-C 3.6Å; F1029-Y1058 WeakPolarHBondContact O-CA 3.41Å; H1031-Y1058 AromaticContact CD2-CG 3.87Å; V1052-Y1058 PolarHBondContact N-O 2.78Å; V1052-Y1058 PolarHBondContact O-N 2.85Å; T1054-Y1058 WeakPolarHBondContact OG1-CD2 3.11Å; T1054-Y1058 WeakPolarHBondContact OG1-CE2 3.31Å; K1056-Y1058 HydrophobicContact CB-CD2 4.37Å; K1056-Y1058 HydrophobicContact CB-CE2 3.86Å; K1056-Y1058 WeakPolarHBondContact O-CD2 2.52Å
1059	M	89.6	Confident	86.5	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	121.7	170.1	-62.3	177.9	-64.4	0	0	109.4	A1011 Y1019 C1028 F1029 L1030 H1031 V1046 Y1048 L1051 V1062	A1011-M1059 HydrophobicContact CB-CE 4.49Å; A1011-M1059 HydrophobicContact CB-SD 3.69Å; Y1019-M1059 HydrophobicContact CD1-CE 4.42Å; Y1019-M1059 HydrophobicContact CD2-CE 3.97Å; Y1019-M1059 HydrophobicContact CG-CE 3.72Å; C1028-M1059 HydrophobicContact CB-CE 4.16Å; C1028-M1059 HydrophobicContact CB-CG 3.83Å; C1028-M1059 HydrophobicContact CB-SD 3.87Å; F1029-M1059 PolarHBondContact O-N 2.97Å; L1030-M1059 HydrophobicContact CD2-CE 3.99Å; L1030-M1059 HydrophobicContact CG-CE 4.36Å; H1031-M1059 VanDerWaalsContact CB-O 3.23Å; H1031-M1059 WeakPolarHBondContact CB-O 3.49Å; H1031-M1059 PolarHBondContact N-O 2.88Å; V1046-M1059 HydrophobicContact CG2-CE 4.34Å; V1046-M1059 HydrophobicContact CG2-SD 4.43Å; Y1048-M1059 HydrophobicContact CD1-CB 4.31Å; Y1048-M1059 HydrophobicContact CD1-CG 3.76Å; Y1048-M1059 HydrophobicContact CD1-SD 3.46Å; Y1048-M1059 WeakPolarHBondContact CD1-SD 3.46Å; Y1048-M1059 HydrophobicContact CD2-CG 4.43Å; Y1048-M1059 HydrophobicContact CE1-CG 4.2Å; Y1048-M1059 HydrophobicContact CE1-SD 3.92Å; Y1048-M1059 HydrophobicContact CG-CB 4.02Å; Y1048-M1059 HydrophobicContact CG-CG 3.91Å; Y1048-M1059 HydrophobicContact CG-SD 4.14Å; L1051-M1059 HydrophobicContact CD1-CG 3.81Å; M1059-V1062 HydrophobicContact CB-CG2 3.95Å
1060	Q	87.3	Confident	86.4	Confident	54 Å²	54	39.3 Å²	39.3	25%	0.252	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	146.6	175.8	-62.6	-163.9	3.9	0	0	111.2	H1031 H1049 E1050 V1052	H1031-Q1060 HydrophobicContact CB-CG 3.98Å; H1049-Q1060 PolarHBondContact N-O 2.86Å; E1050-Q1060 PolarHBondContact O-N 2.63Å; V1052-Q1060 HydrophobicContact CB-CG 4.49Å; V1052-Q1060 HydrophobicContact CG2-CG 3.99Å
1061	C	89.2	Confident	86.4	Confident	24 Å²	24	36 Å²	36	16%	0.162	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.2	83.6	-179.9	-55.3	0	0	0	0	112.3	L907 D936 H937 F940 H1049	L907-C1061 HydrophobicContact CD2-CB 4.18Å; D936-C1061 HydrophobicContact CB-CB 4.45Å; D936-C1061 WeakPolarHBondContact OD2-CA 3.37Å; H937-C1061 PolarHBondContact CE1-O 2.62Å; F940-C1061 HydrophobicContact CE2-CB 4.34Å; H1049-C1061 HydrophobicContact CB-CB 3.82Å; H1049-C1061 PolarHBondContact N-O 3.11Å; H1049-C1061 VanDerWaalsContact N-O 3.1Å
1062	V	92.5	Very high	86.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	143.6	-166.5	-170.2	0	0	0	0	111.5	S935 D936 L1030 L1036 V1046 V1047 M1059	S935-V1062 WeakPolarHBondContact CA-O 3.28Å; D936-V1062 PolarHBondContact N-O 2.96Å; D936-V1062 PolarHBondContact OD2-N 3.27Å; L1030-V1062 HydrophobicContact CD2-CB 4.23Å; L1030-V1062 HydrophobicContact CD2-CG1 3.93Å; L1030-V1062 HydrophobicContact CD2-CG2 4Å; L1036-V1062 HydrophobicContact CD1-CB 3.96Å; L1036-V1062 HydrophobicContact CD1-CG1 3.67Å; V1046-V1062 HydrophobicContact CB-CG1 3.6Å; V1046-V1062 HydrophobicContact CG1-CG1 3.99Å; V1046-V1062 HydrophobicContact CG2-CG1 4.01Å; V1047-V1062 CarbonylContact O-C 3.51Å; V1047-V1062 WeakPolarHBondContact O-CA 3.21Å; M1059-V1062 HydrophobicContact CB-CG2 3.95Å
1063	T	93.2	Very high	86.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.7	176.3	-67.9	0	0	0	0	110.3	S935 H937 R999 V1046 V1047 V1065	S935-T1063 VanDerWaalsContact CB-OG1 3.22Å; S935-T1063 WeakPolarHBondContact CB-OG1 3.26Å; H937-T1063 PolarHBondContact ND1-OG1 3.06Å; R999-T1063 HydrophobicContact CB-CG2 4.27Å; R999-T1063 HydrophobicContact CG-CG2 4.02Å; V1046-T1063 VanDerWaalsContact CA-O 3.3Å; V1046-T1063 WeakPolarHBondContact CA-O 3.21Å; V1047-T1063 PolarHBondContact N-O 3.41Å; V1047-T1063 PolarHBondContact O-N 3.49Å; T1063-V1065 HydrophobicContact CG2-CG2 3.79Å
1064	A	92.1	Very high	86.7	Confident	7 Å²	7	38 Å²	38	6%	0.058	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	125.7	167.8	0	0	0	0	0	110.3	E934 R999 P1043	E934-A1064 WeakPolarHBondContact O-CB 3.41Å; E934-A1064 PolarHBondContact O-N 3.5Å; R999-A1064 PolarHBondContact NH1-O 3.5Å; R999-A1064 VanDerWaalsContact NH1-O 3.13Å; P1043-A1064 HydrophobicContact CB-CB 3.8Å; P1043-A1064 HydrophobicContact CG-CB 3.81Å
1065	V	90.6	Very high	86.9	Confident	6 Å²	6	38 Å²	38	4%	0.036	22%	0.216	C	C	.	.			trans	-133.7	136.9	-171.4	172	0	0	0	0	109.7	C1003 Y1045 V1047 T1063 W1069 L1070	C1003-V1065 HydrophobicContact CB-CG1 4.09Å; C1003-V1065 HydrophobicContact CB-CG2 4.41Å; Y1045-V1065 WeakPolarHBondContact CB-O 3.38Å; Y1045-V1065 PolarHBondContact O-N 2.86Å; V1047-V1065 HydrophobicContact CB-CG2 3.89Å; V1047-V1065 HydrophobicContact CG2-CB 4.07Å; V1047-V1065 HydrophobicContact CG2-CG1 4.26Å; V1047-V1065 HydrophobicContact CG2-CG2 3.68Å; T1063-V1065 HydrophobicContact CG2-CG2 3.79Å; V1065-W1069 HydrophobicContact CG1-CB 4.3Å; V1065-W1069 HydrophobicContact CG1-CE3 4.12Å; V1065-L1070 HydrophobicContact CG1-CD1 4.43Å; V1065-L1070 HydrophobicContact CG1-CD2 4.5Å; V1065-L1070 HydrophobicContact CG1-CG 3.99Å
1066	D	89.2	Confident	86.7	Confident	77 Å²	77	36.4 Å²	36.4	41%	0.412	19%	0.192	S	C	.	.			trans	-74.8	141.3	177.9	-62.3	-15	0	0	0	111.4	C1068 W1069 L1070	D1066-C1068 PolarHBondContact O-N 3.16Å; D1066-W1069 HydrophobicContact CB-CD2 3.95Å; D1066-W1069 HydrophobicContact CB-CG 4.1Å; D1066-W1069 HydrophobicContact CB-CZ2 4.35Å; D1066-W1069 PolarHBondContact O-N 2.95Å; D1066-W1069 WeakPolarHBondContact OD2-CZ2 3.36Å; D1066-L1070 PolarHBondContact O-N 3.13Å
1067	G	86.1	Confident	86.4	Confident	6 Å²	6	31.9 Å²	31.9	6%	0.062	17%	0.172	C	C	.	.	H	α-helix	trans	-55.2	-37.3	179.5	0	0	0	0	0	113.1	L338 W1069 L1070 A1071	L338-G1067 WeakPolarHBondContact CD2-O 3.41Å; G1067-W1069 VanDerWaalsContact C-N 3.3Å; G1067-W1069 PolarHBondContact O-N 3.3Å; G1067-L1070 PolarHBondContact O-N 2.96Å; G1067-A1071 PolarHBondContact O-N 3.09Å
1068	C	87.6	Confident	86.2	Confident	53 Å²	53	30.2 Å²	30.2	36%	0.358	16%	0.164	S	C	.	.	H	α-helix	trans	-58.5	-38.1	175.7	-65.3	0	0	0	0	113.1	D1066 A1071 E1072	D1066-C1068 PolarHBondContact O-N 3.16Å; C1068-A1071 PolarHBondContact O-N 3.34Å; C1068-E1072 VanDerWaalsContact O-CB 3.3Å; C1068-E1072 WeakPolarHBondContact O-CB 3.45Å; C1068-E1072 PolarHBondContact O-N 3.19Å
1069	W	89.9	Confident	85.8	Confident	27 Å²	27	29.4 Å²	29.4	10%	0.102	17%	0.166	C	C	.	.	H	α-helix	trans	-71.7	-31.9	-178.1	-53.6	-8.9	0	0	0	111.7	D996 R999 K1000 V1065 D1066 G1067 L1073	D996-W1069 HydrophobicContact CB-CH2 4.04Å; D996-W1069 HydrophobicContact CB-CZ2 4.39Å; R999-W1069 HydrophobicContact CB-CH2 4.38Å; R999-W1069 HydrophobicContact CB-CZ3 3.66Å; K1000-W1069 HydrophobicContact CD-CD2 4.43Å; K1000-W1069 HydrophobicContact CD-CG 4.44Å; K1000-W1069 VanDerWaalsContact CE-CD1 3.46Å; K1000-W1069 HydrophobicContact CG-CD2 3.68Å; K1000-W1069 HydrophobicContact CG-CE3 3.79Å; K1000-W1069 HydrophobicContact CG-CG 4Å; K1000-W1069 HydrophobicContact CG-CZ3 4.34Å; V1065-W1069 HydrophobicContact CG1-CB 4.3Å; V1065-W1069 HydrophobicContact CG1-CE3 4.12Å; D1066-W1069 HydrophobicContact CB-CD2 3.95Å; D1066-W1069 HydrophobicContact CB-CG 4.1Å; D1066-W1069 HydrophobicContact CB-CZ2 4.35Å; D1066-W1069 PolarHBondContact O-N 2.95Å; D1066-W1069 WeakPolarHBondContact OD2-CZ2 3.36Å; G1067-W1069 VanDerWaalsContact C-N 3.3Å; G1067-W1069 PolarHBondContact O-N 3.3Å; W1069-L1073 HydrophobicContact CB-CD1 4.39Å; W1069-L1073 VanDerWaalsContact O-CB 3.25Å; W1069-L1073 WeakPolarHBondContact O-CB 3.38Å; W1069-L1073 VanDerWaalsContact O-CG 3.31Å; W1069-L1073 WeakPolarHBondContact O-CG 3.47Å; W1069-L1073 PolarHBondContact O-N 2.92Å
1070	L	87.7	Confident	85.3	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65	-40.4	172.5	-74.6	166.1	0	0	0	111.4	L338 F1007 A1010 L1022 Y1045 V1047 V1065 D1066 G1067 G1074 Y1078	L338-L1070 HydrophobicContact CD1-CB 3.75Å; L338-L1070 HydrophobicContact CD1-CD1 3.82Å; L338-L1070 HydrophobicContact CD1-CG 4.45Å; F1007-L1070 HydrophobicContact CB-CD2 3.98Å; A1010-L1070 HydrophobicContact CB-CD1 4.22Å; A1010-L1070 HydrophobicContact CB-CD2 3.8Å; L1022-L1070 HydrophobicContact CD1-CD1 4.37Å; Y1045-L1070 HydrophobicContact CD1-CD1 4.11Å; Y1045-L1070 HydrophobicContact CG-CD1 4.42Å; V1047-L1070 HydrophobicContact CG2-CD2 4.02Å; V1065-L1070 HydrophobicContact CG1-CD1 4.43Å; V1065-L1070 HydrophobicContact CG1-CD2 4.5Å; V1065-L1070 HydrophobicContact CG1-CG 3.99Å; D1066-L1070 PolarHBondContact O-N 3.13Å; G1067-L1070 PolarHBondContact O-N 2.96Å; L1070-G1074 CarbonylContact O-C 3.44Å; L1070-G1074 VanDerWaalsContact O-CA 3.26Å; L1070-G1074 WeakPolarHBondContact O-CA 3.41Å; L1070-G1074 PolarHBondContact O-N 2.9Å; L1070-Y1078 HydrophobicContact CB-CD2 3.9Å; L1070-Y1078 HydrophobicContact CB-CE2 4.38Å; L1070-Y1078 HydrophobicContact CB-CG 4.35Å; L1070-Y1078 HydrophobicContact CD2-CD2 4.35Å; L1070-Y1078 HydrophobicContact CD2-CE2 4.01Å; L1070-Y1078 WeakPolarHBondContact O-CD2 3.38Å
1071	A	86.1	Confident	84.5	Confident	15 Å²	15	35 Å²	35	12%	0.124	19%	0.192	C	C	.	.	H	α-helix	trans	-72.1	-38.3	175.3	0	0	0	0	0	113.3	L338 G1067 C1068 I1080	L338-A1071 HydrophobicContact CD2-CB 4.02Å; G1067-A1071 PolarHBondContact O-N 3.09Å; C1068-A1071 PolarHBondContact O-N 3.34Å; A1071-I1080 HydrophobicContact CB-CD1 4.29Å; A1071-I1080 HydrophobicContact CB-CG1 3.72Å
1072	E	87	Confident	83.3	Confident	111 Å²	111	39.9 Å²	39.9	52%	0.519	21%	0.213	S	C	.	.	H	α-helix	trans	-64.8	-45.9	177	-178.8	-173.2	-174.4	0	0	112.1	K1000 C1068	K1000-E1072 VanDerWaalsContact NZ-CD 3.26Å; K1000-E1072 IonicContact NZ-OE1 3.32Å; K1000-E1072 PolarHBondContact NZ-OE1 3.43Å; K1000-E1072 IonicContact NZ-OE2 3.55Å; K1000-E1072 PolarHBondContact NZ-OE2 3.15Å; C1068-E1072 VanDerWaalsContact O-CB 3.3Å; C1068-E1072 WeakPolarHBondContact O-CB 3.45Å; C1068-E1072 PolarHBondContact O-N 3.19Å
1073	L	85.4	Confident	81.7	Confident	39 Å²	39	46 Å²	46	20%	0.204	26%	0.256	C	S	.	.	H	α-helix	trans	-97.5	-17.3	-171.9	-57.9	169	0	0	0	113.6	M894 K1000 C1003 W1069 P1075	M894-L1073 HydrophobicContact CE-CD2 4.08Å; K1000-L1073 HydrophobicContact CB-CD1 4.18Å; K1000-L1073 HydrophobicContact CG-CD1 4.45Å; K1000-L1073 VanDerWaalsContact O-CD1 3.26Å; K1000-L1073 WeakPolarHBondContact O-CD1 3.43Å; C1003-L1073 HydrophobicContact CB-CD1 3.97Å; W1069-L1073 HydrophobicContact CB-CD1 4.39Å; W1069-L1073 VanDerWaalsContact O-CB 3.25Å; W1069-L1073 WeakPolarHBondContact O-CB 3.38Å; W1069-L1073 VanDerWaalsContact O-CG 3.31Å; W1069-L1073 WeakPolarHBondContact O-CG 3.47Å; W1069-L1073 PolarHBondContact O-N 2.92Å; L1073-P1075 VanDerWaalsContact C-CD 3.4Å
1074	G	81.1	Confident	80	Confident	3 Å²	3	49.5 Å²	49.5	3%	0.031	29%	0.291	C	S	.	.			trans	-127.6	48.3	179.2	0	0	0	0	0	114.3	L1070 M1076 F1077 Y1078	L1070-G1074 CarbonylContact O-C 3.44Å; L1070-G1074 VanDerWaalsContact O-CA 3.26Å; L1070-G1074 WeakPolarHBondContact O-CA 3.41Å; L1070-G1074 PolarHBondContact O-N 2.9Å; G1074-M1076 PolarHBondContact O-N 3.4Å; G1074-M1076 VanDerWaalsContact O-N 3.09Å; G1074-F1077 PolarHBondContact O-N 2.72Å; G1074-Y1078 PolarHBondContact O-N 2.77Å
1075	P	78.2	Confident	78.5	Confident	87 Å²	87	51 Å²	51	57%	0.565	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.6	-172.3	25.4	-35.9	0	0	0	114.2	L1073 F1077	L1073-P1075 VanDerWaalsContact C-CD 3.4Å; P1075-F1077 PolarHBondContact O-N 3.21Å
1076	M	72.6	Confident	76.9	Confident	69 Å²	69	54.2 Å²	54.2	34%	0.34	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-15.3	174.6	-57.4	-154.1	-57.5	0	0	113.8	M343 W857 G1074	M343-M1076 WeakPolarHBondContact CG-O 3.48Å; W857-M1076 HydrophobicContact CD2-CE 4.18Å; W857-M1076 HydrophobicContact CE3-CE 4.02Å; W857-M1076 HydrophobicContact CH2-CE 3.48Å; W857-M1076 VanDerWaalsContact CH2-CE 3.48Å; W857-M1076 HydrophobicContact CH2-SD 3.58Å; W857-M1076 VanDerWaalsContact CH2-SD 3.58Å; W857-M1076 HydrophobicContact CZ2-CE 3.64Å; W857-M1076 HydrophobicContact CZ2-SD 3.58Å; W857-M1076 VanDerWaalsContact CZ2-SD 3.58Å; W857-M1076 HydrophobicContact CZ3-CE 3.66Å; W857-M1076 HydrophobicContact CZ3-SD 4.36Å; G1074-M1076 PolarHBondContact O-N 3.4Å; G1074-M1076 VanDerWaalsContact O-N 3.09Å
1077	F	74	Confident	75.4	Confident	1 Å²	1	59.6 Å²	59.6	0%	0.004	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-30.9	177.5	-76.2	-75.8	0	0	0	113.7	V340 H341 Y854 T858 F1007 R1023 G1074 P1075	V340-F1077 CarbonylContact C-O 3.54Å; V340-F1077 VanDerWaalsContact CA-O 3.31Å; V340-F1077 WeakPolarHBondContact CA-O 3.38Å; H341-F1077 PolarHBondContact N-O 3.04Å; H341-F1077 WeakPolarHBondContact O-CD1 3.41Å; Y854-F1077 HydrophobicContact CE1-CE1 4.33Å; Y854-F1077 AromaticContact CE1-CZ 3.94Å; Y854-F1077 HydrophobicContact CE1-CZ 3.94Å; Y854-F1077 AromaticContact CZ-CZ 3.8Å; Y854-F1077 VanDerWaalsContact OH-CE1 3.26Å; Y854-F1077 WeakPolarHBondContact OH-CE1 3.34Å; Y854-F1077 VanDerWaalsContact OH-CZ 3.31Å; Y854-F1077 WeakPolarHBondContact OH-CZ 3.37Å; T858-F1077 HydrophobicContact CG2-CE2 3.41Å; T858-F1077 VanDerWaalsContact CG2-CE2 3.41Å; T858-F1077 HydrophobicContact CG2-CZ 3.52Å; F1007-F1077 AromaticContact CD2-CD2 3.98Å; F1007-F1077 HydrophobicContact CD2-CD2 3.98Å; F1007-F1077 AromaticContact CE2-CD2 3.67Å; F1007-F1077 HydrophobicContact CE2-CD2 3.67Å; F1007-F1077 AromaticContact CE2-CE2 3.88Å; F1007-F1077 HydrophobicContact CE2-CE2 3.88Å; R1023-F1077 HydrophobicContact CG-CE1 4.44Å; G1074-F1077 PolarHBondContact O-N 2.72Å; P1075-F1077 PolarHBondContact O-N 3.21Å
1078	Y	83.1	Confident	74.3	Confident	2 Å²	2	63 Å²	63	1%	0.008	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	128.6	-167.7	-52.9	-59.1	0	0	0	111.7	L338 L339 V340 F1007 L1022 L1070 G1074	L338-Y1078 HydrophobicContact CD1-CD1 4.44Å; L338-Y1078 HydrophobicContact CD1-CG 4.4Å; L339-Y1078 WeakPolarHBondContact O-CA 3.42Å; V340-Y1078 HydrophobicContact CG1-CE1 4.24Å; V340-Y1078 HydrophobicContact CG2-CD1 4.2Å; V340-Y1078 HydrophobicContact CG2-CE1 4.11Å; F1007-Y1078 HydrophobicContact CB-CE2 4.2Å; F1007-Y1078 HydrophobicContact CD2-CE2 4.49Å; F1007-Y1078 VanDerWaalsContact O-CE2 3.24Å; F1007-Y1078 WeakPolarHBondContact O-CE2 3.31Å; F1007-Y1078 PolarHBondContact O-OH 2.82Å; L1022-Y1078 HydrophobicContact CB-CE1 3.92Å; L1022-Y1078 HydrophobicContact CD1-CD1 4.33Å; L1022-Y1078 HydrophobicContact CD1-CE1 3.64Å; L1022-Y1078 HydrophobicContact CG-CE1 4.4Å; L1070-Y1078 HydrophobicContact CB-CD2 3.9Å; L1070-Y1078 HydrophobicContact CB-CE2 4.38Å; L1070-Y1078 HydrophobicContact CB-CG 4.35Å; L1070-Y1078 HydrophobicContact CD2-CD2 4.35Å; L1070-Y1078 HydrophobicContact CD2-CE2 4.01Å; L1070-Y1078 WeakPolarHBondContact O-CD2 3.38Å; G1074-Y1078 PolarHBondContact O-N 2.77Å
1079	S	79.9	Confident	73.2	Confident	37 Å²	37	64.9 Å²	64.9	26%	0.259	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	151.1	162.9	73.2	0	0	0	0	111.4	L339 H341	L339-S1079 PolarHBondContact N-O 3.31Å; L339-S1079 PolarHBondContact O-N 2.83Å; L339-S1079 VanDerWaalsContact O-N 3.14Å; H341-S1079 VanDerWaalsContact NE2-CA 3.34Å; H341-S1079 WeakPolarHBondContact NE2-CA 3.38Å; H341-S1079 WeakPolarHBondContact NE2-CB 3.47Å; H341-S1079 PolarHBondContact NE2-N 3.5Å; H341-S1079 VanDerWaalsContact NE2-N 3.15Å; H341-S1079 PolarHBondContact NE2-OG 3.46Å
1080	I	79.3	Confident	71.8	Confident	71 Å²	71	65.7 Å²	65.7	36%	0.364	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	132	179.5	-59.9	175.2	0	0	0	109	V336 L338 A1071 Q1082	V336-I1080 HydrophobicContact CG1-CG1 4.35Å; V336-I1080 HydrophobicContact CG1-CG2 4.19Å; L338-I1080 HydrophobicContact CD2-CG1 4.3Å; A1071-I1080 HydrophobicContact CB-CD1 4.29Å; A1071-I1080 HydrophobicContact CB-CG1 3.72Å; I1080-Q1082 PolarHBondContact O-N 2.83Å
1081	K	70	Confident	70.7	Confident	99 Å²	99	74.3 Å²	74.3	43%	0.43	40%	0.396	S	S	.	.			trans	-73.5	69.6	177.5	-167.9	173.8	-179.9	167.3	0	111	N337 L339 S1083	N337-K1081 HydrophobicContact CB-CB 4Å; N337-K1081 HydrophobicContact CB-CD 4.08Å; N337-K1081 WeakPolarHBondContact O-CB 3.05Å; N337-K1081 PolarHBondContact O-N 2.9Å; L339-K1081 HydrophobicContact CD1-CB 4.37Å; L339-K1081 HydrophobicContact CD1-CG 4.37Å; L339-K1081 HydrophobicContact CD2-CB 4.37Å; L339-K1081 HydrophobicContact CD2-CD 4.02Å; L339-K1081 HydrophobicContact CD2-CG 4.07Å; L339-K1081 HydrophobicContact CG-CB 3.99Å; L339-K1081 HydrophobicContact CG-CG 4.16Å; K1081-S1083 PolarHBondContact O-N 3.28Å
1082	Q	64.6	Low	69.9	Low	128 Å²	128	78 Å²	78	60%	0.598	41%	0.411	S	S	*	.			trans	-60.3	130.8	171.9	-69.8	-179.1	-14.9	0	0	110.9	I1080 G1084 V1085 K1090	I1080-Q1082 PolarHBondContact O-N 2.83Å; Q1082-G1084 VanDerWaalsContact C-N 3.29Å; Q1082-G1084 PolarHBondContact O-N 3.08Å; Q1082-V1085 HydrophobicContact CB-CG2 4.31Å; Q1082-K1090 PolarHBondContact O-NZ 2.86Å
1083	S	57.8	Low	69.1	Low	129 Å²	129	77.8 Å²	77.8	90%	0.902	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-18.7	-168.9	-45.2	0	0	0	0	115	K1081	K1081-S1083 PolarHBondContact O-N 3.28Å
1084	G	57.5	Low	68.3	Low	72 Å²	72	77.9 Å²	77.9	74%	0.742	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-16.6	-175.2	0	0	0	0	0	117.1	Q1082	Q1082-G1084 VanDerWaalsContact C-N 3.29Å; Q1082-G1084 PolarHBondContact O-N 3.08Å
1085	V	59.7	Low	67.8	Low	40 Å²	40	81.8 Å²	81.8	24%	0.242	43%	0.432	C	S	.	.			trans	-87.1	125.2	-168.9	-174.3	0	0	0	0	111.9	Q1082 E1089 K1090	Q1082-V1085 HydrophobicContact CB-CG2 4.31Å; V1085-E1089 HydrophobicContact CG1-CB 3.8Å; V1085-K1090 HydrophobicContact CG1-CD 4.35Å; V1085-K1090 HydrophobicContact CG1-CG 3.94Å; V1085-K1090 PolarHBondContact O-NZ 2.82Å
1086	T	57.9	Low	67.8	Low	72 Å²	72	83.2 Å²	83.2	44%	0.442	43%	0.429	S	S	.	.			trans	-70	158.4	-173.1	69.5	0	0	0	0	113.6	C1088 E1089 K1090	T1086-C1088 PolarHBondContact O-N 2.75Å; T1086-C1088 VanDerWaalsContact O-N 3.15Å; T1086-C1088 PolarHBondContact OG1-N 2.94Å; T1086-E1089 VanDerWaalsContact CB-OE2 3.25Å; T1086-E1089 WeakPolarHBondContact CB-OE2 3.32Å; T1086-E1089 WeakPolarHBondContact CG2-OE2 3.32Å; T1086-E1089 PolarHBondContact N-OE2 2.71Å; T1086-E1089 PolarHBondContact O-N 2.84Å; T1086-E1089 WeakPolarHBondContact OG1-CG 3.16Å; T1086-E1089 PolarHBondContact OG1-N 2.75Å; T1086-E1089 PolarHBondContact OG1-OE2 2.56Å; T1086-K1090 PolarHBondContact O-N 3.31Å; T1086-K1090 VanDerWaalsContact O-N 3.16Å
1087	R	58.3	Low	67.7	Low	191 Å²	191	83.7 Å²	83.7	72%	0.721	43%	0.433	S	S	*	.	H	α-helix	trans	-60.9	-20.2	173.7	-159.6	175.2	-170.2	166.2	7.4	112.4	D150	D150-R1087 IonicContact OD1-CZ 2.71Å; D150-R1087 IonicContact OD1-NH1 2.75Å; D150-R1087 PolarHBondContact OD1-NH1 3.5Å; D150-R1087 IonicContact OD1-NH2 3.89Å; D150-R1087 PolarHBondContact OD1-NH2 3Å; D150-R1087 IonicContact OD2-NH2 3.82Å
1088	C	63	Low	67.5	Low	77 Å²	77	88.2 Å²	88.2	52%	0.52	46%	0.456	S	S	.	.	H	α-helix	trans	-77.1	-50.6	174.8	-168.6	0	0	0	0	111.6	T1086 R1091 Q1092	T1086-C1088 PolarHBondContact O-N 2.75Å; T1086-C1088 VanDerWaalsContact O-N 3.15Å; T1086-C1088 PolarHBondContact OG1-N 2.94Å; C1088-R1091 PolarHBondContact O-N 3.16Å; C1088-Q1092 WeakPolarHBondContact O-CG 3.4Å; C1088-Q1092 PolarHBondContact O-N 3.18Å; C1088-Q1092 PolarHBondContact SG-NE2 2.89Å
1089	E	64.6	Low	67.1	Low	92 Å²	92	93.7 Å²	93.7	43%	0.43	48%	0.481	S	S	.	.	H	α-helix	trans	-64.4	-43.1	-177.9	-68.4	157.8	121.3	0	0	112.2	V1085 T1086 R1091 Q1092 Q1093	V1085-E1089 HydrophobicContact CG1-CB 3.8Å; T1086-E1089 VanDerWaalsContact CB-OE2 3.25Å; T1086-E1089 WeakPolarHBondContact CB-OE2 3.32Å; T1086-E1089 WeakPolarHBondContact CG2-OE2 3.32Å; T1086-E1089 PolarHBondContact N-OE2 2.71Å; T1086-E1089 PolarHBondContact O-N 2.84Å; T1086-E1089 WeakPolarHBondContact OG1-CG 3.16Å; T1086-E1089 PolarHBondContact OG1-N 2.75Å; T1086-E1089 PolarHBondContact OG1-OE2 2.56Å; E1089-R1091 VanDerWaalsContact C-N 3.28Å; E1089-R1091 PolarHBondContact O-N 2.88Å; E1089-Q1092 CarbonylContact O-C 3.59Å; E1089-Q1092 WeakPolarHBondContact O-CA 3.49Å; E1089-Q1092 WeakPolarHBondContact O-CB 3.42Å; E1089-Q1092 PolarHBondContact O-N 2.92Å; E1089-Q1093 PolarHBondContact O-N 2.83Å
1090	K	60.7	Low	67.1	Low	45 Å²	45	95 Å²	95	20%	0.196	49%	0.488	C	S	.	.	H	α-helix	trans	-56.5	-43	173.4	-79.7	161.1	176.2	147.3	0	111.4	L339 Q1082 V1085 T1086 Q1092 Q1093 T1094	L339-K1090 HydrophobicContact CD1-CD 4.29Å; Q1082-K1090 PolarHBondContact O-NZ 2.86Å; V1085-K1090 HydrophobicContact CG1-CD 4.35Å; V1085-K1090 HydrophobicContact CG1-CG 3.94Å; V1085-K1090 PolarHBondContact O-NZ 2.82Å; T1086-K1090 PolarHBondContact O-N 3.31Å; T1086-K1090 VanDerWaalsContact O-N 3.16Å; K1090-Q1092 PolarHBondContact O-N 3.22Å; K1090-Q1093 PolarHBondContact O-N 3.38Å; K1090-T1094 PolarHBondContact O-N 3.26Å; K1090-T1094 PolarHBondContact O-OG1 2.92Å; K1090-T1094 VanDerWaalsContact O-OG1 3.08Å
1091	R	63.9	Low	66.6	Low	181 Å²	181	92.5 Å²	92.5	68%	0.683	48%	0.475	S	S	*	.	H	α-helix	trans	-67.2	-34	175.2	-171.8	176.3	-178.8	-180	0.6	112.6	C1088 E1089 L1095	C1088-R1091 PolarHBondContact O-N 3.16Å; E1089-R1091 VanDerWaalsContact C-N 3.28Å; E1089-R1091 PolarHBondContact O-N 2.88Å; R1091-L1095 HydrophobicContact CG-CD1 4.22Å; R1091-L1095 WeakPolarHBondContact O-CB 3.5Å; R1091-L1095 WeakPolarHBondContact O-CD1 3.47Å; R1091-L1095 VanDerWaalsContact O-CG 3.23Å; R1091-L1095 WeakPolarHBondContact O-CG 3.45Å; R1091-L1095 PolarHBondContact O-N 3.35Å
1092	Q	70	Confident	66.8	Low	93 Å²	93	90.5 Å²	90.5	44%	0.435	47%	0.467	S	S	.	.	H	α-helix	trans	-70.1	-34.2	173.3	-70.2	-178.5	38.9	0	0	112.6	C1088 E1089 K1090 K1096	C1088-Q1092 WeakPolarHBondContact O-CG 3.4Å; C1088-Q1092 PolarHBondContact O-N 3.18Å; C1088-Q1092 PolarHBondContact SG-NE2 2.89Å; E1089-Q1092 CarbonylContact O-C 3.59Å; E1089-Q1092 WeakPolarHBondContact O-CA 3.49Å; E1089-Q1092 WeakPolarHBondContact O-CB 3.42Å; E1089-Q1092 PolarHBondContact O-N 2.92Å; K1090-Q1092 PolarHBondContact O-N 3.22Å; Q1092-K1096 WeakPolarHBondContact O-CB 3.38Å; Q1092-K1096 WeakPolarHBondContact O-CD 3.33Å; Q1092-K1096 VanDerWaalsContact O-CG 3.22Å; Q1092-K1096 WeakPolarHBondContact O-CG 3.48Å; Q1092-K1096 PolarHBondContact O-N 3.41Å
1093	Q	69.4	Low	67.4	Low	106 Å²	106	89.3 Å²	89.3	50%	0.495	46%	0.461	S	S	.	.	H	α-helix	trans	-62.6	-57	172	-73.6	171.7	-32.4	0	0	109.9	E1089 K1090 L1095 K1096 D1097	E1089-Q1093 PolarHBondContact O-N 2.83Å; K1090-Q1093 PolarHBondContact O-N 3.38Å; Q1093-L1095 PolarHBondContact O-N 3.34Å; Q1093-L1095 VanDerWaalsContact O-N 3.11Å; Q1093-K1096 CarbonylContact O-C 3.58Å; Q1093-K1096 WeakPolarHBondContact O-CA 3.46Å; Q1093-K1096 WeakPolarHBondContact O-CB 3.45Å; Q1093-K1096 PolarHBondContact O-N 3.06Å; Q1093-D1097 PolarHBondContact O-N 3.16Å; Q1093-D1097 VanDerWaalsContact O-OD2 3.07Å
1094	T	67.9	Low	68.4	Low	40 Å²	40	87.7 Å²	87.7	25%	0.245	44%	0.439	C	S	.	.	H	α-helix	trans	-55.2	-36.7	178	-45.4	0	0	0	0	113	M343 K1090 M1098	M343-T1094 HydrophobicContact CE-CG2 3.98Å; M343-T1094 HydrophobicContact SD-CG2 3.65Å; K1090-T1094 PolarHBondContact O-N 3.26Å; K1090-T1094 PolarHBondContact O-OG1 2.92Å; K1090-T1094 VanDerWaalsContact O-OG1 3.08Å; T1094-M1098 WeakPolarHBondContact O-CG 3.47Å; T1094-M1098 PolarHBondContact O-N 3.12Å
1095	L	72.1	Confident	68.9	Low	85 Å²	85	85.1 Å²	85.1	45%	0.445	41%	0.408	S	S	.	.	H	α-helix	trans	-69.1	-41.2	174.2	-75.8	169.3	0	0	0	112.7	R1091 Q1093 D1097 M1098 E1099	R1091-L1095 HydrophobicContact CG-CD1 4.22Å; R1091-L1095 WeakPolarHBondContact O-CB 3.5Å; R1091-L1095 WeakPolarHBondContact O-CD1 3.47Å; R1091-L1095 VanDerWaalsContact O-CG 3.23Å; R1091-L1095 WeakPolarHBondContact O-CG 3.45Å; R1091-L1095 PolarHBondContact O-N 3.35Å; Q1093-L1095 PolarHBondContact O-N 3.34Å; Q1093-L1095 VanDerWaalsContact O-N 3.11Å; L1095-D1097 VanDerWaalsContact C-N 3.32Å; L1095-M1098 PolarHBondContact O-N 2.84Å; L1095-E1099 WeakPolarHBondContact O-CB 3.49Å; L1095-E1099 WeakPolarHBondContact O-CG 3.23Å; L1095-E1099 PolarHBondContact O-N 3.19Å
1096	K	76.4	Confident	69.7	Low	117 Å²	117	89.8 Å²	89.8	51%	0.509	42%	0.422	S	S	.	.	H	α-helix	trans	-62	-40.6	173	-74.8	166.2	-177	176	0	111.5	Q1092 Q1093 M1098 E1099 T1100	Q1092-K1096 WeakPolarHBondContact O-CB 3.38Å; Q1092-K1096 WeakPolarHBondContact O-CD 3.33Å; Q1092-K1096 VanDerWaalsContact O-CG 3.22Å; Q1092-K1096 WeakPolarHBondContact O-CG 3.48Å; Q1092-K1096 PolarHBondContact O-N 3.41Å; Q1093-K1096 CarbonylContact O-C 3.58Å; Q1093-K1096 WeakPolarHBondContact O-CA 3.46Å; Q1093-K1096 WeakPolarHBondContact O-CB 3.45Å; Q1093-K1096 PolarHBondContact O-N 3.06Å; K1096-M1098 VanDerWaalsContact C-N 3.32Å; K1096-M1098 PolarHBondContact O-N 3.16Å; K1096-E1099 CarbonylContact O-C 3.56Å; K1096-E1099 PolarHBondContact O-N 2.97Å; K1096-E1099 VanDerWaalsContact O-N 3.13Å; K1096-T1100 WeakPolarHBondContact O-CG2 3.45Å; K1096-T1100 PolarHBondContact O-N 3.15Å; K1096-T1100 PolarHBondContact O-OG1 3.25Å
1097	D	71.8	Confident	70.7	Confident	80 Å²	80	91.5 Å²	91.5	43%	0.428	43%	0.425	S	S	.	.	H	α-helix	trans	-67.2	-34.1	178.2	-54.6	-34.1	0	0	0	111.6	M343 Q1093 L1095 T1100 M1101	M343-D1097 HydrophobicContact CE-CB 3.98Å; Q1093-D1097 PolarHBondContact O-N 3.16Å; Q1093-D1097 VanDerWaalsContact O-OD2 3.07Å; L1095-D1097 VanDerWaalsContact C-N 3.32Å; D1097-T1100 WeakPolarHBondContact CA-OG1 3.4Å; D1097-T1100 PolarHBondContact O-OG1 2.86Å; D1097-M1101 WeakPolarHBondContact O-CE 3.42Å; D1097-M1101 WeakPolarHBondContact O-CG 3.43Å; D1097-M1101 PolarHBondContact O-N 3.28Å
1098	M	69.2	Low	71.4	Confident	96 Å²	96	83.4 Å²	83.4	47%	0.473	40%	0.399	S	S	.	.	H	α-helix	trans	-69.8	-38.9	168.8	-71.4	-176.6	72.3	0	0	112.3	M343 T1094 L1095 K1096 M1101 E1102	M343-M1098 HydrophobicContact CE-CG 3.93Å; T1094-M1098 WeakPolarHBondContact O-CG 3.47Å; T1094-M1098 PolarHBondContact O-N 3.12Å; L1095-M1098 PolarHBondContact O-N 2.84Å; K1096-M1098 VanDerWaalsContact C-N 3.32Å; K1096-M1098 PolarHBondContact O-N 3.16Å; M1098-M1101 HydrophobicContact CG-CE 4.49Å; M1098-E1102 PolarHBondContact O-N 3.35Å
1099	E	75.1	Confident	72	Confident	116 Å²	116	84.6 Å²	84.6	54%	0.542	40%	0.397	S	S	.	.	H	α-helix	trans	-69.7	-34.4	178	-77.3	177.8	-175.2	0	0	112.9	L1095 K1096 Q1103	L1095-E1099 WeakPolarHBondContact O-CB 3.49Å; L1095-E1099 WeakPolarHBondContact O-CG 3.23Å; L1095-E1099 PolarHBondContact O-N 3.19Å; K1096-E1099 CarbonylContact O-C 3.56Å; K1096-E1099 PolarHBondContact O-N 2.97Å; K1096-E1099 VanDerWaalsContact O-N 3.13Å; E1099-Q1103 WeakPolarHBondContact O-CB 3.36Å; E1099-Q1103 WeakPolarHBondContact O-CG 3.49Å; E1099-Q1103 PolarHBondContact O-N 2.86Å; E1099-Q1103 PolarHBondContact O-NE2 3.13Å; E1099-Q1103 VanDerWaalsContact O-NE2 3.13Å
1100	T	79.9	Confident	72.6	Confident	65 Å²	65	86.3 Å²	86.3	40%	0.399	41%	0.405	S	S	.	.	H	α-helix	trans	-69	-46.6	172.4	51.3	0	0	0	0	110.7	K1096 D1097 E1102 Q1103 E1104	K1096-T1100 WeakPolarHBondContact O-CG2 3.45Å; K1096-T1100 PolarHBondContact O-N 3.15Å; K1096-T1100 PolarHBondContact O-OG1 3.25Å; D1097-T1100 WeakPolarHBondContact CA-OG1 3.4Å; D1097-T1100 PolarHBondContact O-OG1 2.86Å; T1100-E1102 VanDerWaalsContact C-N 3.32Å; T1100-E1102 PolarHBondContact O-N 3.49Å; T1100-Q1103 WeakPolarHBondContact O-CB 3.37Å; T1100-Q1103 PolarHBondContact O-N 3.05Å; T1100-E1104 WeakPolarHBondContact O-CG 3.45Å; T1100-E1104 PolarHBondContact O-N 3.03Å
1101	M	68.5	Low	73.5	Confident	18 Å²	18	89.7 Å²	89.7	9%	0.089	42%	0.421	C	S	.	.	H	α-helix	trans	-59.4	-38.4	173.4	-74.6	-169.6	-70.3	0	0	112.8	M343 P346 W857 D1097 M1098 M1105	M343-M1101 HydrophobicContact CE-CE 3.72Å; P346-M1101 HydrophobicContact CG-CB 4.49Å; W857-M1101 HydrophobicContact CH2-SD 4.47Å; W857-M1101 HydrophobicContact CZ2-SD 3.91Å; D1097-M1101 WeakPolarHBondContact O-CE 3.42Å; D1097-M1101 WeakPolarHBondContact O-CG 3.43Å; D1097-M1101 PolarHBondContact O-N 3.28Å; M1098-M1101 HydrophobicContact CG-CE 4.49Å; M1101-M1105 WeakPolarHBondContact O-CB 3.37Å; M1101-M1105 PolarHBondContact O-N 3.05Å
1102	E	74	Confident	73.9	Confident	58 Å²	58	82.6 Å²	82.6	27%	0.271	40%	0.397	S	S	.	.	H	α-helix	trans	-67.9	-35.5	172.3	-85.1	-145.5	-174.8	0	0	112.7	P346 R351 M1098 T1100 R1106	P346-E1102 HydrophobicContact CG-CG 4.12Å; R351-E1102 IonicContact NH2-OE1 3.5Å; M1098-E1102 PolarHBondContact O-N 3.35Å; T1100-E1102 VanDerWaalsContact C-N 3.32Å; T1100-E1102 PolarHBondContact O-N 3.49Å; E1102-R1106 WeakPolarHBondContact O-CB 3.49Å; E1102-R1106 WeakPolarHBondContact O-CD 3.47Å; E1102-R1106 WeakPolarHBondContact O-CG 3.21Å; E1102-R1106 PolarHBondContact O-N 3.11Å; E1102-R1106 IonicContact OE2-CZ 3.7Å; E1102-R1106 IonicContact OE2-NE 2.65Å; E1102-R1106 IonicContact OE2-NH2 3.17Å; E1102-R1106 PolarHBondContact OE2-NH2 2.86Å
1103	Q	78.3	Confident	74.3	Confident	102 Å²	102	82.2 Å²	82.2	48%	0.477	40%	0.401	S	S	.	.	H	α-helix	trans	-69	-47.4	176.3	-77.5	170.1	65.9	0	0	112.1	E1099 T1100 M1105 R1106 Q1107	E1099-Q1103 WeakPolarHBondContact O-CB 3.36Å; E1099-Q1103 WeakPolarHBondContact O-CG 3.49Å; E1099-Q1103 PolarHBondContact O-N 2.86Å; E1099-Q1103 PolarHBondContact O-NE2 3.13Å; E1099-Q1103 VanDerWaalsContact O-NE2 3.13Å; T1100-Q1103 WeakPolarHBondContact O-CB 3.37Å; T1100-Q1103 PolarHBondContact O-N 3.05Å; Q1103-M1105 VanDerWaalsContact C-N 3.34Å; Q1103-M1105 PolarHBondContact O-N 3.03Å; Q1103-R1106 PolarHBondContact O-N 3.21Å; Q1103-Q1107 WeakPolarHBondContact O-CG 3.17Å; Q1103-Q1107 PolarHBondContact O-N 2.8Å
1104	E	77.5	Confident	74.9	Confident	95 Å²	95	79.9 Å²	79.9	44%	0.444	40%	0.4	S	S	.	.	H	α-helix	trans	-56.9	-47.3	172.8	-72.6	175.1	-175.8	0	0	111	N864 T1100 R1106 Q1107 A1108	N864-E1104 PolarHBondContact ND2-OE2 2.9Å; T1100-E1104 WeakPolarHBondContact O-CG 3.45Å; T1100-E1104 PolarHBondContact O-N 3.03Å; E1104-R1106 VanDerWaalsContact C-N 3.34Å; E1104-R1106 PolarHBondContact O-N 3.48Å; E1104-Q1107 PolarHBondContact O-N 2.91Å; E1104-A1108 VanDerWaalsContact O-CB 3.32Å; E1104-A1108 WeakPolarHBondContact O-CB 3.26Å; E1104-A1108 PolarHBondContact O-N 2.94Å
1105	M	69.1	Low	75.4	Confident	18 Å²	18	83.2 Å²	83.2	9%	0.089	41%	0.412	C	S	.	.	H	α-helix	trans	-55.8	-47.1	174.6	172.5	172.5	-69.8	0	0	111.7	P346 F347 N864 M1101 Q1103 A1108 Q1109	P346-M1105 HydrophobicContact CB-CE 3.7Å; P346-M1105 HydrophobicContact CB-SD 3.91Å; P346-M1105 HydrophobicContact CG-CE 4.14Å; F347-M1105 HydrophobicContact CB-CE 3.96Å; N864-M1105 WeakPolarHBondContact O-CE 3.31Å; M1101-M1105 WeakPolarHBondContact O-CB 3.37Å; M1101-M1105 PolarHBondContact O-N 3.05Å; Q1103-M1105 VanDerWaalsContact C-N 3.34Å; Q1103-M1105 PolarHBondContact O-N 3.03Å; M1105-A1108 PolarHBondContact O-N 2.91Å; M1105-Q1109 HydrophobicContact CG-CG 4.14Å; M1105-Q1109 VanDerWaalsContact CG-NE2 3.31Å; M1105-Q1109 WeakPolarHBondContact O-CB 3.42Å; M1105-Q1109 WeakPolarHBondContact O-CG 3.47Å; M1105-Q1109 PolarHBondContact O-N 3.2Å; M1105-Q1109 PolarHBondContact SD-NE2 3.36Å; M1105-Q1109 VanDerWaalsContact SD-NE2 3.42Å
1106	R	75.9	Confident	75.8	Confident	138 Å²	138	83.3 Å²	83.3	52%	0.521	41%	0.409	S	S	.	.	H	α-helix	trans	-64.4	-40.7	179.7	-71	166.9	-162.7	-170.5	8.7	111.7	E1102 Q1103 E1104 Q1109 Q1110	E1102-R1106 WeakPolarHBondContact O-CB 3.49Å; E1102-R1106 WeakPolarHBondContact O-CD 3.47Å; E1102-R1106 WeakPolarHBondContact O-CG 3.21Å; E1102-R1106 PolarHBondContact O-N 3.11Å; E1102-R1106 IonicContact OE2-CZ 3.7Å; E1102-R1106 IonicContact OE2-NE 2.65Å; E1102-R1106 IonicContact OE2-NH2 3.17Å; E1102-R1106 PolarHBondContact OE2-NH2 2.86Å; Q1103-R1106 PolarHBondContact O-N 3.21Å; E1104-R1106 VanDerWaalsContact C-N 3.34Å; E1104-R1106 PolarHBondContact O-N 3.48Å; R1106-Q1109 PolarHBondContact O-N 3.04Å; R1106-Q1110 VanDerWaalsContact O-CG 3.26Å; R1106-Q1110 WeakPolarHBondContact O-CG 3.19Å; R1106-Q1110 PolarHBondContact O-N 2.95Å
1107	Q	79.2	Confident	76	Confident	109 Å²	109	82.2 Å²	82.2	51%	0.509	41%	0.406	S	S	.	.	H	α-helix	trans	-64.5	-48.9	175.8	-69	177.6	32.7	0	0	111.3	Q1103 E1104 Q1109 Q1110 Q1111	Q1103-Q1107 WeakPolarHBondContact O-CG 3.17Å; Q1103-Q1107 PolarHBondContact O-N 2.8Å; E1104-Q1107 PolarHBondContact O-N 2.91Å; Q1107-Q1109 VanDerWaalsContact C-N 3.32Å; Q1107-Q1109 PolarHBondContact O-N 2.82Å; Q1107-Q1110 WeakPolarHBondContact O-CB 3.17Å; Q1107-Q1110 PolarHBondContact O-N 3Å; Q1107-Q1110 VanDerWaalsContact O-N 3.11Å; Q1107-Q1111 WeakPolarHBondContact O-CG 3.41Å; Q1107-Q1111 PolarHBondContact O-N 2.95Å
1108	A	72.7	Confident	76.5	Confident	21 Å²	21	83.8 Å²	83.8	17%	0.174	41%	0.414	C	S	.	.	H	α-helix	trans	-65.9	-33.1	178.4	0	0	0	0	0	112.5	T865 E1104 M1105 Q1110 Q1111 L1112	T865-A1108 HydrophobicContact CG2-CB 3.4Å; T865-A1108 VanDerWaalsContact CG2-CB 3.4Å; E1104-A1108 VanDerWaalsContact O-CB 3.32Å; E1104-A1108 WeakPolarHBondContact O-CB 3.26Å; E1104-A1108 PolarHBondContact O-N 2.94Å; M1105-A1108 PolarHBondContact O-N 2.91Å; A1108-Q1110 VanDerWaalsContact C-N 3.35Å; A1108-Q1111 PolarHBondContact O-N 3.42Å; A1108-L1112 VanDerWaalsContact O-CA 3.3Å; A1108-L1112 WeakPolarHBondContact O-CA 3.25Å; A1108-L1112 WeakPolarHBondContact O-CB 3.36Å; A1108-L1112 PolarHBondContact O-N 3.31Å
1109	Q	75	Confident	76.9	Confident	102 Å²	102	85.1 Å²	85.1	48%	0.477	42%	0.419	S	S	.	.	H	α-helix	trans	-67.7	-28.3	171	-79.8	179.5	4.8	0	0	113.7	M1105 R1106 Q1107 L1112 T1113	M1105-Q1109 HydrophobicContact CG-CG 4.14Å; M1105-Q1109 VanDerWaalsContact CG-NE2 3.31Å; M1105-Q1109 WeakPolarHBondContact O-CB 3.42Å; M1105-Q1109 WeakPolarHBondContact O-CG 3.47Å; M1105-Q1109 PolarHBondContact O-N 3.2Å; M1105-Q1109 PolarHBondContact SD-NE2 3.36Å; M1105-Q1109 VanDerWaalsContact SD-NE2 3.42Å; R1106-Q1109 PolarHBondContact O-N 3.04Å; Q1107-Q1109 VanDerWaalsContact C-N 3.32Å; Q1107-Q1109 PolarHBondContact O-N 2.82Å; Q1109-L1112 VanDerWaalsContact O-CA 3.25Å; Q1109-L1112 WeakPolarHBondContact O-CA 3.39Å; Q1109-L1112 WeakPolarHBondContact O-CB 3.3Å; Q1109-T1113 PolarHBondContact O-N 3.04Å
1110	Q	77.9	Confident	77.2	Confident	128 Å²	128	84.9 Å²	84.9	60%	0.598	42%	0.417	S	S	*	.	H	α-helix	trans	-78.3	-40.6	171.9	-71.5	166.7	4.6	0	0	111.6	R1106 Q1107 A1108 T1113 A1114	R1106-Q1110 VanDerWaalsContact O-CG 3.26Å; R1106-Q1110 WeakPolarHBondContact O-CG 3.19Å; R1106-Q1110 PolarHBondContact O-N 2.95Å; Q1107-Q1110 WeakPolarHBondContact O-CB 3.17Å; Q1107-Q1110 PolarHBondContact O-N 3Å; Q1107-Q1110 VanDerWaalsContact O-N 3.11Å; A1108-Q1110 VanDerWaalsContact C-N 3.35Å; Q1110-T1113 PolarHBondContact O-N 3.38Å; Q1110-T1113 PolarHBondContact O-OG1 3.11Å; Q1110-A1114 VanDerWaalsContact O-CB 3.31Å; Q1110-A1114 WeakPolarHBondContact O-CB 3.37Å; Q1110-A1114 PolarHBondContact O-N 3.5Å
1111	Q	80.2	Confident	77.2	Confident	116 Å²	116	87.3 Å²	87.3	54%	0.542	42%	0.423	S	S	.	.	H	α-helix	trans	-61.9	-55.7	175.9	-68.7	173.9	16.4	0	0	111.5	Q1107 A1108 A1114 Q1115	Q1107-Q1111 WeakPolarHBondContact O-CG 3.41Å; Q1107-Q1111 PolarHBondContact O-N 2.95Å; A1108-Q1111 PolarHBondContact O-N 3.42Å; Q1111-A1114 PolarHBondContact O-N 2.8Å; Q1111-Q1115 WeakPolarHBondContact O-CB 3.46Å; Q1111-Q1115 WeakPolarHBondContact O-CG 3.31Å; Q1111-Q1115 PolarHBondContact O-N 3.48Å
1112	L	71.7	Confident	77.7	Confident	32 Å²	32	90 Å²	90	17%	0.168	44%	0.44	C	S	.	.	H	α-helix		40.5	-125.4	111.6	-37.5	166.1	0	0	0	120	A1108 Q1109 A1114 Q1115 K1116	A1108-L1112 VanDerWaalsContact O-CA 3.3Å; A1108-L1112 WeakPolarHBondContact O-CA 3.25Å; A1108-L1112 WeakPolarHBondContact O-CB 3.36Å; A1108-L1112 PolarHBondContact O-N 3.31Å; Q1109-L1112 VanDerWaalsContact O-CA 3.25Å; Q1109-L1112 WeakPolarHBondContact O-CA 3.39Å; Q1109-L1112 WeakPolarHBondContact O-CB 3.3Å; L1112-A1114 VanDerWaalsContact C-N 3.26Å; L1112-A1114 PolarHBondContact O-N 3.42Å; L1112-Q1115 PolarHBondContact O-N 2.82Å; L1112-K1116 PolarHBondContact O-N 3.23Å
1113	T	78.9	Confident	77.6	Confident	85 Å²	85	91.5 Å²	91.5	52%	0.521	45%	0.447	S	S	.	.	H	α-helix	trans	-58.5	-35.2	177.5	51.7	0	0	0	0	112.2	Q1109 Q1110 Q1115 K1116 E1117	Q1109-T1113 PolarHBondContact O-N 3.04Å; Q1110-T1113 PolarHBondContact O-N 3.38Å; Q1110-T1113 PolarHBondContact O-OG1 3.11Å; T1113-Q1115 PolarHBondContact O-N 2.94Å; T1113-K1116 PolarHBondContact O-N 3.18Å; T1113-E1117 WeakPolarHBondContact O-CB 3.21Å; T1113-E1117 PolarHBondContact O-N 3.05Å
1114	A	81.8	Confident	77.3	Confident	57 Å²	57	91 Å²	91	47%	0.471	44%	0.444	S	S	.	.	H	α-helix	trans	-62.7	-40.5	179.1	0	0	0	0	0	112.7	Q1110 Q1111 L1112 L1118	Q1110-A1114 VanDerWaalsContact O-CB 3.31Å; Q1110-A1114 WeakPolarHBondContact O-CB 3.37Å; Q1110-A1114 PolarHBondContact O-N 3.5Å; Q1111-A1114 PolarHBondContact O-N 2.8Å; L1112-A1114 VanDerWaalsContact C-N 3.26Å; L1112-A1114 PolarHBondContact O-N 3.42Å; A1114-L1118 WeakPolarHBondContact O-CB 3.11Å; A1114-L1118 PolarHBondContact O-N 3.45Å
1115	Q	78.3	Confident	77.1	Confident	109 Å²	109	88.8 Å²	88.8	51%	0.509	44%	0.442	S	S	.	.	H	α-helix	trans	-67.2	-40.5	174.1	-75.7	-179.5	7.2	0	0	111.9	Q1111 L1112 T1113 L1118 Q1119	Q1111-Q1115 WeakPolarHBondContact O-CB 3.46Å; Q1111-Q1115 WeakPolarHBondContact O-CG 3.31Å; Q1111-Q1115 PolarHBondContact O-N 3.48Å; L1112-Q1115 PolarHBondContact O-N 2.82Å; T1113-Q1115 PolarHBondContact O-N 2.94Å; Q1115-L1118 PolarHBondContact O-N 3.2Å; Q1115-Q1119 WeakPolarHBondContact O-CG 3.33Å; Q1115-Q1119 PolarHBondContact O-N 3.42Å
1116	K	79.5	Confident	76.9	Confident	87 Å²	87	93.6 Å²	93.6	38%	0.378	46%	0.464	S	S	.	.	H	α-helix	trans	-67.5	-44.7	178.2	-68.8	-171.2	174.9	-175.2	0	112	E833 L1112 T1113 L1118 Q1119 E1120	E833-K1116 IonicContact OE1-NZ 3.14Å; E833-K1116 IonicContact OE2-NZ 3.58Å; E833-K1116 PolarHBondContact OE2-NZ 3.2Å; L1112-K1116 PolarHBondContact O-N 3.23Å; T1113-K1116 PolarHBondContact O-N 3.18Å; K1116-L1118 VanDerWaalsContact C-N 3.27Å; K1116-L1118 PolarHBondContact O-N 2.94Å; K1116-Q1119 PolarHBondContact O-N 3.37Å; K1116-E1120 WeakPolarHBondContact O-CG 3.35Å; K1116-E1120 PolarHBondContact O-N 3.3Å
1117	E	80.8	Confident	76	Confident	95 Å²	95	95.4 Å²	95.4	44%	0.444	47%	0.471	S	S	.	.	H	α-helix	trans	-56.3	-40	170	-83.4	-169.4	-135.9	0	0	112.4	T1113 K1121	T1113-E1117 WeakPolarHBondContact O-CB 3.21Å; T1113-E1117 PolarHBondContact O-N 3.05Å; E1117-K1121 WeakPolarHBondContact O-CB 3.45Å; E1117-K1121 WeakPolarHBondContact O-CD 3.25Å; E1117-K1121 WeakPolarHBondContact O-CG 3.33Å; E1117-K1121 PolarHBondContact O-N 3.44Å; E1117-K1121 IonicContact OE2-NZ 3.43Å; E1117-K1121 PolarHBondContact OE2-NZ 3.45Å
1118	L	84.1	Confident	74.8	Confident	113 Å²	113	98.4 Å²	98.4	59%	0.592	48%	0.483	S	S	*	.	H	α-helix	trans	-67.7	-43	178.1	-173.5	64	0	0	0	111.5	A1114 Q1115 K1116 K1121 V1122	A1114-L1118 WeakPolarHBondContact O-CB 3.11Å; A1114-L1118 PolarHBondContact O-N 3.45Å; Q1115-L1118 PolarHBondContact O-N 3.2Å; K1116-L1118 VanDerWaalsContact C-N 3.27Å; K1116-L1118 PolarHBondContact O-N 2.94Å; L1118-K1121 PolarHBondContact O-N 2.86Å; L1118-V1122 WeakPolarHBondContact O-CG2 3.33Å; L1118-V1122 PolarHBondContact O-N 2.95Å
1119	Q	77.5	Confident	74	Confident	124 Å²	124	105.7 Å²	105.7	58%	0.579	51%	0.51	S	S	*	.	H	α-helix	trans	-62.4	-44.7	174.1	-74.7	-175.9	-9.1	0	0	111.9	Q1115 K1116 K1121 V1122 Q1123	Q1115-Q1119 WeakPolarHBondContact O-CG 3.33Å; Q1115-Q1119 PolarHBondContact O-N 3.42Å; K1116-Q1119 PolarHBondContact O-N 3.37Å; Q1119-K1121 PolarHBondContact O-N 2.83Å; Q1119-V1122 PolarHBondContact O-N 2.98Å; Q1119-Q1123 WeakPolarHBondContact O-CG 3.48Å; Q1119-Q1123 PolarHBondContact O-N 2.94Å
1120	E	79.8	Confident	72.7	Confident	110 Å²	110	106.9 Å²	106.9	51%	0.514	52%	0.519	S	S	.	.	H	α-helix	trans	-61.1	-42.5	175	-74.3	179.3	-165.1	0	0	111.8	K1116 V1122 Q1123 Q1124	K1116-E1120 WeakPolarHBondContact O-CG 3.35Å; K1116-E1120 PolarHBondContact O-N 3.3Å; E1120-V1122 VanDerWaalsContact C-N 3.32Å; E1120-V1122 PolarHBondContact O-N 3.3Å; E1120-Q1123 PolarHBondContact O-N 3.37Å; E1120-Q1124 WeakPolarHBondContact O-CB 3.26Å; E1120-Q1124 VanDerWaalsContact O-CG 3.25Å; E1120-Q1124 WeakPolarHBondContact O-CG 3.32Å; E1120-Q1124 PolarHBondContact O-N 3.34Å
1121	K	80.7	Confident	71.2	Confident	117 Å²	117	109.9 Å²	109.9	51%	0.509	53%	0.53	S	S	.	.	H	α-helix	trans	-61.9	-38.4	174.8	-71.9	159.6	-162.3	168.6	0	111.5	E1117 L1118 Q1119 A1125	E1117-K1121 WeakPolarHBondContact O-CB 3.45Å; E1117-K1121 WeakPolarHBondContact O-CD 3.25Å; E1117-K1121 WeakPolarHBondContact O-CG 3.33Å; E1117-K1121 PolarHBondContact O-N 3.44Å; E1117-K1121 IonicContact OE2-NZ 3.43Å; E1117-K1121 PolarHBondContact OE2-NZ 3.45Å; L1118-K1121 PolarHBondContact O-N 2.86Å; Q1119-K1121 PolarHBondContact O-N 2.83Å; K1121-A1125 VanDerWaalsContact O-CB 3.26Å; K1121-A1125 WeakPolarHBondContact O-CB 3.23Å; K1121-A1125 PolarHBondContact O-N 3.23Å
1122	V	79.8	Confident	69.5	Low	74 Å²	74	110.8 Å²	110.8	45%	0.448	54%	0.543	S	S	.	.	H	α-helix	trans	-68.8	-46.3	174.9	170.3	0	0	0	0	111.8	L1118 Q1119 E1120 A1125 Q1126	L1118-V1122 WeakPolarHBondContact O-CG2 3.33Å; L1118-V1122 PolarHBondContact O-N 2.95Å; Q1119-V1122 PolarHBondContact O-N 2.98Å; E1120-V1122 VanDerWaalsContact C-N 3.32Å; E1120-V1122 PolarHBondContact O-N 3.3Å; V1122-A1125 CarbonylContact O-C 3.6Å; V1122-A1125 WeakPolarHBondContact O-CB 3.38Å; V1122-A1125 PolarHBondContact O-N 3.02Å; V1122-A1125 VanDerWaalsContact O-N 3.16Å; V1122-Q1126 WeakPolarHBondContact O-CG 3.42Å; V1122-Q1126 PolarHBondContact O-N 3.33Å
1123	Q	70.9	Confident	68.3	Low	90 Å²	90	113.7 Å²	113.7	42%	0.421	57%	0.572	S	S	.	*	H	α-helix	trans	-62.9	-44	177.3	-71.8	-178.8	11.3	0	0	111.5	Q1119 E1120 A1125 Q1126 W1127	Q1119-Q1123 WeakPolarHBondContact O-CG 3.48Å; Q1119-Q1123 PolarHBondContact O-N 2.94Å; E1120-Q1123 PolarHBondContact O-N 3.37Å; Q1123-A1125 VanDerWaalsContact C-N 3.29Å; Q1123-A1125 PolarHBondContact O-N 3.47Å; Q1123-Q1126 WeakPolarHBondContact O-CB 3.25Å; Q1123-Q1126 PolarHBondContact O-N 3.35Å; Q1123-Q1126 VanDerWaalsContact O-N 3.12Å; Q1123-W1127 PolarHBondContact O-N 3.01Å
1124	Q	72	Confident	66.8	Low	91 Å²	91	115 Å²	115	43%	0.425	58%	0.58	S	S	.	*	H	α-helix	trans	-62.6	-35.4	173.5	-71.1	179.3	30.4	0	0	112.3	E1120 K1128	E1120-Q1124 WeakPolarHBondContact O-CB 3.26Å; E1120-Q1124 VanDerWaalsContact O-CG 3.25Å; E1120-Q1124 WeakPolarHBondContact O-CG 3.32Å; E1120-Q1124 PolarHBondContact O-N 3.34Å; Q1124-K1128 WeakPolarHBondContact O-CB 3.49Å; Q1124-K1128 VanDerWaalsContact O-CG 3.23Å; Q1124-K1128 WeakPolarHBondContact O-CG 3.22Å; Q1124-K1128 PolarHBondContact O-N 3.43Å
1125	A	74.1	Confident	64.9	Low	48 Å²	48	118.3 Å²	118.3	40%	0.397	60%	0.597	S	S	.	*	H	α-helix	trans	-71.5	-27.9	174.2	0	0	0	0	0	113.1	K1121 V1122 Q1123 K1129	K1121-A1125 VanDerWaalsContact O-CB 3.26Å; K1121-A1125 WeakPolarHBondContact O-CB 3.23Å; K1121-A1125 PolarHBondContact O-N 3.23Å; V1122-A1125 CarbonylContact O-C 3.6Å; V1122-A1125 WeakPolarHBondContact O-CB 3.38Å; V1122-A1125 PolarHBondContact O-N 3.02Å; V1122-A1125 VanDerWaalsContact O-N 3.16Å; Q1123-A1125 VanDerWaalsContact C-N 3.29Å; Q1123-A1125 PolarHBondContact O-N 3.47Å; A1125-K1129 WeakPolarHBondContact O-CG 3.44Å
1126	Q	63.9	Low	63.5	Low	119 Å²	119	117.2 Å²	117.2	56%	0.556	62%	0.615	S	S	*	*	H	α-helix	trans	-73.4	-49	170.3	-73.2	175.7	-16.3	0	0	111.2	V1122 Q1123 K1128 K1129 I1130	V1122-Q1126 WeakPolarHBondContact O-CG 3.42Å; V1122-Q1126 PolarHBondContact O-N 3.33Å; Q1123-Q1126 WeakPolarHBondContact O-CB 3.25Å; Q1123-Q1126 PolarHBondContact O-N 3.35Å; Q1123-Q1126 VanDerWaalsContact O-N 3.12Å; Q1126-K1128 VanDerWaalsContact C-N 3.32Å; Q1126-K1128 PolarHBondContact O-N 3.37Å; Q1126-K1129 WeakPolarHBondContact O-CA 3.19Å; Q1126-K1129 WeakPolarHBondContact O-CB 3.4Å; Q1126-K1129 PolarHBondContact O-N 2.85Å; Q1126-I1130 PolarHBondContact O-N 2.95Å
1127	W	57.3	Low	61.8	Low	176 Å²	176	123.1 Å²	123.1	67%	0.667	63%	0.634	S	S	*	*	H	α-helix	trans	-58.1	-41.4	175.8	-68.2	-14.7	0	0	0	112.2	Q1123 K1129 I1130	Q1123-W1127 PolarHBondContact O-N 3.01Å; W1127-K1129 PolarHBondContact O-N 2.97Å; W1127-K1129 VanDerWaalsContact O-N 3.16Å; W1127-I1130 PolarHBondContact O-N 2.6Å
1128	K	54.8	Low	59.8	Low	172 Å²	172	123.8 Å²	123.8	75%	0.748	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-13	173.6	-74.4	170.9	-178.3	171.4	0	114.5	Q1124 Q1126	Q1124-K1128 WeakPolarHBondContact O-CB 3.49Å; Q1124-K1128 VanDerWaalsContact O-CG 3.23Å; Q1124-K1128 WeakPolarHBondContact O-CG 3.22Å; Q1124-K1128 PolarHBondContact O-N 3.43Å; Q1126-K1128 VanDerWaalsContact C-N 3.32Å; Q1126-K1128 PolarHBondContact O-N 3.37Å
1129	K	54.6	Low	57.9	Low	174 Å²	174	124.7 Å²	124.7	76%	0.757	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-14.5	172.6	-74	174	179.3	180	0	113.4	A1125 Q1126 W1127 K1131	A1125-K1129 WeakPolarHBondContact O-CG 3.44Å; Q1126-K1129 WeakPolarHBondContact O-CA 3.19Å; Q1126-K1129 WeakPolarHBondContact O-CB 3.4Å; Q1126-K1129 PolarHBondContact O-N 2.85Å; W1127-K1129 PolarHBondContact O-N 2.97Å; W1127-K1129 VanDerWaalsContact O-N 3.16Å; K1129-K1131 VanDerWaalsContact C-N 3.34Å; K1129-K1131 PolarHBondContact O-N 3.49Å
1130	I	47.2	Very low	56.1	Low	127 Å²	127	125 Å²	125	65%	0.651	67%	0.665	S	S	*	*			trans	-76.4	88.1	174.2	-57.1	174.5	0	0	0	108.2	Q1126 W1127 V1132	Q1126-I1130 PolarHBondContact O-N 2.95Å; W1127-I1130 PolarHBondContact O-N 2.6Å; I1130-V1132 PolarHBondContact O-N 3.26Å
1131	K	47.6	Very low	54.1	Low	192 Å²	192	127 Å²	127	84%	0.835	68%	0.68	S	S	*	*			trans	-60.2	131.5	166.2	-77.6	-174	173.3	-176.7	0	108.8	K1129 A1133	K1129-K1131 VanDerWaalsContact C-N 3.34Å; K1129-K1131 PolarHBondContact O-N 3.49Å; K1131-A1133 PolarHBondContact O-N 3.48Å; K1131-A1133 VanDerWaalsContact O-N 3.09Å
1132	V	44.9	Very low	52.1	Low	134 Å²	134	133 Å²	133	81%	0.812	70%	0.7	S	S	*	*			trans	-56.9	115.1	174.3	178.3	0	0	0	0	109.1	I1130 T1134	I1130-V1132 PolarHBondContact O-N 3.26Å; V1132-T1134 PolarHBondContact O-N 2.93Å
1133	A	45.4	Very low	50	Low	94 Å²	94	135.3 Å²	135.3	78%	0.777	72%	0.719	S	S	*	*			trans	-82	92.1	176.5	0	0	0	0	0	109.3	K1131	K1131-A1133 PolarHBondContact O-N 3.48Å; K1131-A1133 VanDerWaalsContact O-N 3.09Å
1134	T	47.2	Very low	48.4	Very low	111 Å²	111	136.4 Å²	136.4	68%	0.681	73%	0.732	S	S	*	*			trans	-62.1	123.6	174.1	-42.9	0	0	0	0	109.5	V1132 G1136	V1132-T1134 PolarHBondContact O-N 2.93Å; T1134-G1136 PolarHBondContact O-N 3.4Å
1135	P	41.9	Very low	46.9	Very low	128 Å²	128	138.1 Å²	138.1	83%	0.831	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	129.1	179.5	26.1	-33.6	0	0	0	110.3
1136	G	49.8	Very low	45	Very low	86 Å²	86	147.6 Å²	147.6	89%	0.887	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	117.1	4.5	172.7	0	0	0	0	0	117.5	T1134	T1134-G1136 PolarHBondContact O-N 3.4Å
1137	R	42.9	Very low	43.8	Very low	210 Å²	210	147 Å²	147	79%	0.792	79%	0.792	S	S	*	*			trans	-113	115.4	174.9	-163.6	175.2	-173.1	144.3	6.3	112.5	D1139	R1137-D1139 IonicContact NE-OD2 3.76Å
1138	S	39	Very low	42.7	Very low	110 Å²	110	141.9 Å²	141.9	77%	0.769	79%	0.794	S	S	*	*			trans	-97.1	95	179.5	55.3	0	0	0	0	111.7
1139	D	45.5	Very low	42	Very low	131 Å²	131	142 Å²	142	70%	0.701	80%	0.796	S	S	*	*			trans	-95.7	114.6	172.5	-75.4	-40.5	0	0	0	110.9	R1137 N1141	R1137-D1139 IonicContact NE-OD2 3.76Å; D1139-N1141 PolarHBondContact O-N 2.67Å; D1139-N1141 VanDerWaalsContact O-N 3.15Å
1140	T	39.2	Very low	41.2	Very low	130 Å²	130	142.8 Å²	142.8	80%	0.798	80%	0.8	S	S	*	*			trans	-82.4	85.1	-175.4	51.9	0	0	0	0	112.1
1141	N	36.9	Very low	41	Very low	154 Å²	154	139.8 Å²	139.8	82%	0.824	80%	0.801	S	S	*	*			trans	-175.4	97.1	151.5	-101.1	-36.7	0	0	0	113.5	D1139	D1139-N1141 PolarHBondContact O-N 2.67Å; D1139-N1141 VanDerWaalsContact O-N 3.15Å
1142	R	39.1	Very low	40.7	Very low	243 Å²	243	146.2 Å²	146.2	92%	0.917	82%	0.82	S	S	*	*			trans	-165.9	120.4	150.9	-106.3	146.9	-163.8	-106.2	-3.7	110.3
1143	S	36.2	Very low	40.5	Very low	122 Å²	122	146.9 Å²	146.9	85%	0.853	82%	0.821	S	S	*	*			trans	-67.9	139.4	176.7	-176	0	0	0	0	111
1144	T	36.7	Very low	40.3	Very low	112 Å²	112	149.6 Å²	149.6	69%	0.687	82%	0.823	S	S	*	*			trans	-108.2	129.8	171	44.8	0	0	0	0	109.8	R1146	T1144-R1146 PolarHBondContact O-N 3.13Å; T1144-R1146 VanDerWaalsContact O-N 3.1Å
1145	P	39.8	Very low	39.9	Very low	128 Å²	128	151.8 Å²	151.8	83%	0.831	83%	0.831	S	S	*	*			trans	-72.6	104.8	173.1	29.3	-32.1	0	0	0	109.5	A1147	P1145-A1147 PolarHBondContact O-N 2.65Å
1146	R	35.5	Very low	39.8	Very low	246 Å²	246	153.2 Å²	153.2	93%	0.928	83%	0.831	S	S	*	*			trans	-70.6	119.9	164.4	-80.4	-178.4	167.7	-177.1	-3.9	108.9	T1144	T1144-R1146 PolarHBondContact O-N 3.13Å; T1144-R1146 VanDerWaalsContact O-N 3.1Å
1147	A	37.6	Very low	39.1	Very low	108 Å²	108	157.4 Å²	157.4	89%	0.893	83%	0.827	S	S	*	*			trans	-98.1	119.4	160.1	0	0	0	0	0	108.4	P1145	P1145-A1147 PolarHBondContact O-N 2.65Å
1148	G	35.3	Very low	38.9	Very low	68 Å²	68	153.9 Å²	153.9	70%	0.701	83%	0.829	S	S	*	*			trans	175.5	127.3	178.2	0	0	0	0	0	115.1
1149	H	38.9	Very low	38.9	Very low	173 Å²	173	157 Å²	157	80%	0.801	83%	0.834	S	S	*	*			trans	76.2	113.5	164.1	-78.1	47.4	0	0	0	120
1150	F	37.9	Very low	38.4	Very low	191 Å²	191	159 Å²	159	84%	0.838	84%	0.844	S	S	*	*			trans	49	126.6	131.6	-75.9	-90.8	0	0	0	121.7
1151	G	44.9	Very low	38.3	Very low	64 Å²	64	161.4 Å²	161.4	66%	0.66	85%	0.848	S	S	*	*				123.9	81.8	117.5	0	0	0	0	0	118
1152	W	40.9	Very low	38.4	Very low	328 Å²	328	162.1 Å²	162.1	100%	1.242	85%	0.85	S	S	*	*				-156	0	127.4	-97.4	100.1	0	0	0	108.7

Retrieved 1,152 of 1,152 residues in 704.4 ms (Link to these results)

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